NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522547 | 2lc0 | 17585 | 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 1HT MET 1 -1.809 12.832 17.720 2 H2 MET 1 2HT MET 1 -2.519 13.142 19.202 3 H3 MET 1 3HT MET 1 -2.492 14.346 18.032 4 HA MET 1 HA MET 1 -4.672 13.430 18.219 5 HB2 MET 1 2HB MET 1 -3.944 14.201 16.012 6 HB3 MET 1 1HB MET 1 -3.260 12.624 15.668 7 HG2 MET 1 2HG MET 1 -5.491 11.633 15.734 8 HG3 MET 1 1HG MET 1 -6.185 13.211 16.101 9 HE1 MET 1 2HE MET 1 -7.117 11.308 13.629 10 HE2 MET 1 3HE MET 1 -7.343 12.539 12.391 11 HE3 MET 1 1HE MET 1 -7.872 12.848 14.044 12 H GLY 2 H GLY 2 -2.306 10.889 17.314 13 HA2 GLY 2 2HA GLY 2 -3.905 8.999 18.791 14 HA3 GLY 2 1HA GLY 2 -3.745 8.703 17.063 15 H SER 3 H SER 3 -2.029 9.006 20.079 16 HA SER 3 HA SER 3 0.540 8.479 19.154 17 HB2 SER 3 2HB SER 3 -0.639 7.777 21.849 18 HB3 SER 3 1HB SER 3 1.065 8.033 21.475 19 HG SER 3 HG SER 3 0.701 10.169 21.162 20 H GLN 4 H GLN 4 1.440 6.657 18.521 21 HA GLN 4 HA GLN 4 -0.150 4.220 18.526 22 HB2 GLN 4 2HB GLN 4 2.465 4.870 17.162 23 HB3 GLN 4 1HB GLN 4 1.583 3.363 16.990 24 HG2 GLN 4 2HG GLN 4 0.697 6.091 16.102 25 HG3 GLN 4 1HG GLN 4 1.199 4.752 15.071 26 HE21 GLN 4 1HE2 GLN 4 -1.359 6.121 16.930 27 HE22 GLN 4 2HE2 GLN 4 -2.577 4.997 16.461 28 H LYS 5 H LYS 5 1.049 2.193 19.009 29 HA LYS 5 HA LYS 5 2.649 2.625 21.388 30 HB2 LYS 5 2HB LYS 5 1.431 0.082 20.257 31 HB3 LYS 5 1HB LYS 5 2.495 0.102 21.646 32 HG2 LYS 5 2HG LYS 5 0.274 -0.018 22.501 33 HG3 LYS 5 1HG LYS 5 0.846 1.618 22.793 34 HD2 LYS 5 2HD LYS 5 -1.428 1.733 22.047 35 HD3 LYS 5 1HD LYS 5 -0.397 2.333 20.747 36 HE2 LYS 5 2HE LYS 5 -0.531 0.120 19.659 37 HE3 LYS 5 1HE LYS 5 -1.595 -0.427 20.949 38 HZ1 LYS 5 3HZ LYS 5 -2.871 0.216 19.050 39 HZ2 LYS 5 1HZ LYS 5 -2.166 1.738 18.999 40 HZ3 LYS 5 2HZ LYS 5 -3.162 1.338 20.274 41 H ARG 6 H ARG 6 4.721 1.637 21.616 42 HA ARG 6 HA ARG 6 6.208 1.997 19.229 43 HB2 ARG 6 2HB ARG 6 7.032 2.747 21.433 44 HB3 ARG 6 1HB ARG 6 7.104 1.077 21.958 45 HG2 ARG 6 2HG ARG 6 9.309 1.959 21.385 46 HG3 ARG 6 1HG ARG 6 8.855 0.607 20.353 47 HD2 ARG 6 2HD ARG 6 9.925 2.439 19.093 48 HD3 ARG 6 1HD ARG 6 8.285 2.117 18.552 49 HE ARG 6 HE ARG 6 7.727 4.089 20.116 50 HH11 ARG 6 1HH1 ARG 6 10.745 3.848 18.259 51 HH12 ARG 6 2HH1 ARG 6 10.845 5.518 17.931 52 HH21 ARG 6 1HH2 ARG 6 7.906 6.378 19.729 53 HH22 ARG 6 2HH2 ARG 6 9.218 6.998 18.822 54 H LEU 7 H LEU 7 5.932 0.524 17.751 55 HA LEU 7 HA LEU 7 6.522 -2.280 18.398 56 HB2 LEU 7 2HB LEU 7 4.679 -1.220 16.241 57 HB3 LEU 7 1HB LEU 7 5.016 -2.903 16.573 58 HG LEU 7 HG LEU 7 3.529 -1.018 18.407 59 HD11 LEU 7 1HD1 LEU 7 2.261 -1.543 16.398 60 HD12 LEU 7 2HD1 LEU 7 1.561 -2.335 17.810 61 HD13 LEU 7 3HD1 LEU 7 2.528 -3.265 16.666 62 HD21 LEU 7 3HD2 LEU 7 4.017 -3.992 18.611 63 HD22 LEU 7 1HD2 LEU 7 2.972 -3.037 19.667 64 HD23 LEU 7 2HD2 LEU 7 4.709 -2.741 19.650 65 H VAL 8 H VAL 8 8.515 -2.631 17.575 66 HA VAL 8 HA VAL 8 9.356 -1.116 15.232 67 HB VAL 8 HB VAL 8 11.593 -1.857 15.625 68 HG11 VAL 8 1HG1 VAL 8 10.311 -1.290 18.280 69 HG12 VAL 8 2HG1 VAL 8 10.927 -0.107 17.131 70 HG13 VAL 8 3HG1 VAL 8 12.039 -1.198 17.956 71 HG21 VAL 8 3HG2 VAL 8 10.545 -3.812 17.678 72 HG22 VAL 8 1HG2 VAL 8 12.241 -3.531 17.298 73 HG23 VAL 8 2HG2 VAL 8 11.170 -4.232 16.085 74 H GLN 9 H GLN 9 7.780 -3.859 15.892 75 HA GLN 9 HA GLN 9 8.874 -5.759 14.106 76 HB2 GLN 9 2HB GLN 9 6.082 -5.540 15.226 77 HB3 GLN 9 1HB GLN 9 6.698 -6.919 14.337 78 HG2 GLN 9 2HG GLN 9 8.326 -7.343 16.096 79 HG3 GLN 9 1HG GLN 9 7.755 -5.920 16.968 80 HE21 GLN 9 1HE2 GLN 9 7.788 -8.778 17.724 81 HE22 GLN 9 2HE2 GLN 9 6.163 -9.153 18.133 82 H ARG 10 H ARG 10 9.168 -4.792 12.140 83 HA ARG 10 HA ARG 10 6.856 -3.797 10.707 84 HB2 ARG 10 2HB ARG 10 9.280 -2.932 10.448 85 HB3 ARG 10 1HB ARG 10 9.613 -4.423 9.598 86 HG2 ARG 10 2HG ARG 10 7.578 -2.373 8.703 87 HG3 ARG 10 1HG ARG 10 9.235 -2.452 8.124 88 HD2 ARG 10 2HD ARG 10 7.077 -4.527 7.774 89 HD3 ARG 10 1HD ARG 10 7.754 -3.483 6.522 90 HE ARG 10 HE ARG 10 9.190 -5.627 7.922 91 HH11 ARG 10 1HH1 ARG 10 8.901 -3.468 5.111 92 HH12 ARG 10 2HH1 ARG 10 9.952 -4.378 4.142 93 HH21 ARG 10 1HH2 ARG 10 10.653 -6.828 6.625 94 HH22 ARG 10 2HH2 ARG 10 11.001 -6.341 5.023 95 H VAL 11 H VAL 11 5.458 -5.371 10.344 96 HA VAL 11 HA VAL 11 5.730 -8.080 10.302 97 HB VAL 11 HB VAL 11 3.798 -6.544 8.540 98 HG11 VAL 11 1HG1 VAL 11 3.593 -9.331 9.687 99 HG12 VAL 11 2HG1 VAL 11 3.861 -8.917 7.995 100 HG13 VAL 11 3HG1 VAL 11 2.334 -8.498 8.772 101 HG21 VAL 11 3HG2 VAL 11 2.234 -6.699 10.438 102 HG22 VAL 11 1HG2 VAL 11 3.667 -5.750 10.835 103 HG23 VAL 11 2HG2 VAL 11 3.515 -7.408 11.417 104 H GLU 12 H GLU 12 6.790 -9.485 9.090 105 HA GLU 12 HA GLU 12 7.172 -8.802 6.326 106 HB2 GLU 12 2HB GLU 12 9.563 -9.686 6.499 107 HB3 GLU 12 1HB GLU 12 9.211 -8.075 7.089 108 HG2 GLU 12 2HG GLU 12 10.705 -9.056 8.637 109 HG3 GLU 12 1HG GLU 12 9.129 -9.050 9.402 110 H ARG 13 H ARG 13 6.449 -10.179 5.065 111 HA ARG 13 HA ARG 13 7.143 -12.952 5.304 112 HB2 ARG 13 2HB ARG 13 4.278 -11.996 4.887 113 HB3 ARG 13 1HB ARG 13 4.830 -13.641 4.642 114 HG2 ARG 13 2HG ARG 13 5.375 -13.765 7.059 115 HG3 ARG 13 1HG ARG 13 4.685 -12.154 7.253 116 HD2 ARG 13 2HD ARG 13 3.234 -14.597 6.241 117 HD3 ARG 13 1HD ARG 13 3.073 -13.895 7.847 118 HE ARG 13 HE ARG 13 2.500 -11.916 5.977 119 HH11 ARG 13 1HH1 ARG 13 1.139 -14.983 7.040 120 HH12 ARG 13 2HH1 ARG 13 -0.481 -14.554 6.749 121 HH21 ARG 13 1HH2 ARG 13 0.285 -11.315 5.511 122 HH22 ARG 13 2HH2 ARG 13 -0.977 -12.414 5.865 123 H LYS 14 H LYS 14 7.313 -13.778 3.186 124 HA LYS 14 HA LYS 14 7.472 -11.581 1.337 125 HB2 LYS 14 2HB LYS 14 8.714 -13.124 -0.221 126 HB3 LYS 14 1HB LYS 14 9.518 -12.760 1.285 127 HG2 LYS 14 2HG LYS 14 7.964 -15.308 0.899 128 HG3 LYS 14 1HG LYS 14 9.627 -15.160 0.359 129 HD2 LYS 14 2HD LYS 14 8.665 -14.780 3.215 130 HD3 LYS 14 1HD LYS 14 9.440 -16.227 2.585 131 HE2 LYS 14 2HE LYS 14 10.676 -13.470 2.808 132 HE3 LYS 14 1HE LYS 14 11.026 -14.860 3.818 133 HZ1 LYS 14 3HZ LYS 14 11.591 -14.667 0.902 134 HZ2 LYS 14 1HZ LYS 14 11.916 -16.013 1.868 135 HZ3 LYS 14 2HZ LYS 14 12.709 -14.552 2.128 136 H LEU 15 H LEU 15 5.376 -11.250 1.062 137 HA LEU 15 HA LEU 15 3.712 -13.201 -0.194 138 HB2 LEU 15 2HB LEU 15 3.360 -10.242 0.272 139 HB3 LEU 15 1HB LEU 15 2.253 -11.130 -0.738 140 HG LEU 15 HG LEU 15 1.281 -10.813 1.422 141 HD11 LEU 15 1HD1 LEU 15 2.115 -13.675 1.101 142 HD12 LEU 15 2HD1 LEU 15 0.747 -12.877 0.327 143 HD13 LEU 15 3HD1 LEU 15 0.769 -13.085 2.075 144 HD21 LEU 15 3HD2 LEU 15 2.255 -11.756 3.472 145 HD22 LEU 15 1HD2 LEU 15 3.279 -10.502 2.772 146 HD23 LEU 15 2HD2 LEU 15 3.703 -12.196 2.564 147 H GLU 16 H GLU 16 4.677 -13.901 -1.990 148 HA GLU 16 HA GLU 16 5.556 -12.084 -4.011 149 HB2 GLU 16 2HB GLU 16 5.764 -14.147 -5.423 150 HB3 GLU 16 1HB GLU 16 6.668 -14.197 -3.918 151 HG2 GLU 16 2HG GLU 16 4.939 -15.598 -2.927 152 HG3 GLU 16 1HG GLU 16 4.025 -15.540 -4.435 153 H GLN 17 H GLN 17 2.656 -13.540 -3.078 154 HA GLN 17 HA GLN 17 1.291 -12.652 -5.475 155 HB2 GLN 17 2HB GLN 17 0.777 -14.843 -4.466 156 HB3 GLN 17 1HB GLN 17 0.286 -14.013 -2.995 157 HG2 GLN 17 2HG GLN 17 -1.559 -12.973 -4.156 158 HG3 GLN 17 1HG GLN 17 -1.039 -13.692 -5.681 159 HE21 GLN 17 1HE2 GLN 17 -2.488 -14.279 -2.594 160 HE22 GLN 17 2HE2 GLN 17 -3.059 -15.867 -2.939 161 H THR 18 H THR 18 1.642 -10.533 -5.175 162 HA THR 18 HA THR 18 0.618 -9.217 -2.792 163 HB THR 18 HB THR 18 2.067 -8.033 -5.169 164 HG1 THR 18 1HG THR 18 2.981 -9.664 -3.163 165 HG21 THR 18 3HG2 THR 18 1.735 -7.157 -2.313 166 HG22 THR 18 1HG2 THR 18 0.894 -6.490 -3.714 167 HG23 THR 18 2HG2 THR 18 2.650 -6.295 -3.562 168 H VAL 19 H VAL 19 -1.348 -8.137 -2.938 169 HA VAL 19 HA VAL 19 -2.417 -7.871 -5.626 170 HB VAL 19 HB VAL 19 -4.711 -8.227 -4.722 171 HG11 VAL 19 1HG1 VAL 19 -3.543 -10.028 -5.854 172 HG12 VAL 19 2HG1 VAL 19 -4.553 -10.663 -4.560 173 HG13 VAL 19 3HG1 VAL 19 -2.807 -10.532 -4.333 174 HG21 VAL 19 3HG2 VAL 19 -3.268 -9.140 -2.227 175 HG22 VAL 19 1HG2 VAL 19 -4.991 -9.343 -2.542 176 HG23 VAL 19 2HG2 VAL 19 -4.312 -7.725 -2.359 177 H GLY 20 H GLY 20 -2.959 -5.990 -6.246 178 HA2 GLY 20 2HA GLY 20 -3.382 -3.886 -4.223 179 HA3 GLY 20 1HA GLY 20 -2.549 -3.601 -5.748 180 H ASP 21 H ASP 21 -3.981 -4.453 -7.706 181 HA ASP 21 HA ASP 21 -6.343 -2.785 -7.542 182 HB2 ASP 21 2HB ASP 21 -6.469 -2.910 -9.926 183 HB3 ASP 21 1HB ASP 21 -4.778 -2.696 -9.512 184 H ALA 22 H ALA 22 -5.673 -5.882 -6.913 185 HA ALA 22 HA ALA 22 -7.733 -7.382 -8.011 186 HB1 ALA 22 1HB ALA 22 -5.815 -8.342 -6.774 187 HB2 ALA 22 2HB ALA 22 -7.377 -8.981 -6.258 188 HB3 ALA 22 3HB ALA 22 -6.561 -7.767 -5.278 189 H PHE 23 H PHE 23 -7.740 -5.300 -5.250 190 HA PHE 23 HA PHE 23 -10.166 -6.133 -4.131 191 HB2 PHE 23 2HB PHE 23 -8.703 -3.546 -4.075 192 HB3 PHE 23 1HB PHE 23 -10.102 -3.858 -3.022 193 HD1 PHE 23 2HD PHE 23 -9.892 -5.843 -1.411 194 HD2 PHE 23 1HD PHE 23 -6.558 -4.176 -3.461 195 HE1 PHE 23 2HE PHE 23 -8.371 -6.903 0.206 196 HE2 PHE 23 1HE PHE 23 -5.032 -5.236 -1.853 197 HZ PHE 23 HZ PHE 23 -5.935 -6.602 -0.017 198 H ALA 24 H ALA 24 -9.457 -3.616 -6.522 199 HA ALA 24 HA ALA 24 -12.079 -2.606 -6.736 200 HB1 ALA 24 1HB ALA 24 -9.894 -2.616 -8.816 201 HB2 ALA 24 2HB ALA 24 -10.122 -1.402 -7.555 202 HB3 ALA 24 3HB ALA 24 -11.334 -1.593 -8.823 203 H ARG 25 H ARG 25 -10.358 -5.063 -8.582 204 HA ARG 25 HA ARG 25 -12.532 -5.535 -10.327 205 HB2 ARG 25 2HB ARG 25 -11.205 -7.461 -11.136 206 HB3 ARG 25 1HB ARG 25 -10.324 -5.945 -11.141 207 HG2 ARG 25 2HG ARG 25 -9.225 -6.608 -9.074 208 HG3 ARG 25 1HG ARG 25 -10.063 -8.157 -9.124 209 HD2 ARG 25 2HD ARG 25 -8.212 -7.130 -11.274 210 HD3 ARG 25 1HD ARG 25 -7.730 -8.232 -9.994 211 HE ARG 25 HE ARG 25 -9.540 -9.725 -10.957 212 HH11 ARG 25 1HH1 ARG 25 -7.754 -7.449 -13.002 213 HH12 ARG 25 2HH1 ARG 25 -7.713 -8.481 -14.349 214 HH21 ARG 25 1HH2 ARG 25 -9.459 -11.145 -12.803 215 HH22 ARG 25 2HH2 ARG 25 -8.716 -10.635 -14.235 216 H ILE 26 H ILE 26 -11.620 -6.949 -7.252 217 HA ILE 26 HA ILE 26 -13.359 -9.182 -7.435 218 HB ILE 26 HB ILE 26 -12.252 -7.763 -4.985 219 HG12 ILE 26 2HG1 ILE 26 -11.609 -10.463 -6.196 220 HG13 ILE 26 1HG1 ILE 26 -10.632 -9.010 -6.377 221 HG21 ILE 26 1HG2 ILE 26 -13.045 -9.660 -3.627 222 HG22 ILE 26 2HG2 ILE 26 -13.880 -10.310 -5.037 223 HG23 ILE 26 3HG2 ILE 26 -14.382 -8.764 -4.352 224 HD11 ILE 26 3HD1 ILE 26 -10.215 -9.008 -3.959 225 HD12 ILE 26 1HD1 ILE 26 -9.681 -10.506 -4.721 226 HD13 ILE 26 2HD1 ILE 26 -11.185 -10.472 -3.800 227 H PHE 27 H PHE 27 -13.807 -5.975 -5.975 228 HA PHE 27 HA PHE 27 -16.547 -6.550 -5.384 229 HB2 PHE 27 2HB PHE 27 -14.971 -3.984 -5.234 230 HB3 PHE 27 1HB PHE 27 -16.680 -4.080 -4.822 231 HD1 PHE 27 1HD PHE 27 -17.407 -5.478 -2.916 232 HD2 PHE 27 2HD PHE 27 -13.297 -4.760 -3.732 233 HE1 PHE 27 1HE PHE 27 -16.835 -6.196 -0.641 234 HE2 PHE 27 2HE PHE 27 -12.713 -5.481 -1.455 235 HZ PHE 27 HZ PHE 27 -14.485 -6.201 0.096 236 H GLY 28 H GLY 28 -14.950 -5.651 -8.154 237 HA2 GLY 28 2HA GLY 28 -15.677 -5.267 -10.280 238 HA3 GLY 28 1HA GLY 28 -17.281 -5.712 -9.729 239 H GLY 29 H GLY 29 -15.484 -3.101 -8.348 240 HA2 GLY 29 2HA GLY 29 -15.688 -0.807 -8.634 241 HA3 GLY 29 1HA GLY 29 -16.771 -1.109 -9.983 242 H SER 30 H SER 30 -17.833 -2.830 -7.261 243 HA SER 30 HA SER 30 -20.158 -1.302 -6.879 244 HB2 SER 30 2HB SER 30 -19.913 -3.676 -6.116 245 HB3 SER 30 1HB SER 30 -18.813 -3.139 -4.853 246 HG SER 30 HG SER 30 -21.415 -2.098 -5.089 247 H ILE 31 H ILE 31 -17.076 -1.306 -5.327 248 HA ILE 31 HA ILE 31 -17.512 1.379 -4.350 249 HB ILE 31 HB ILE 31 -15.940 0.831 -2.458 250 HG12 ILE 31 2HG1 ILE 31 -16.467 -2.054 -3.235 251 HG13 ILE 31 1HG1 ILE 31 -14.939 -1.208 -3.428 252 HG21 ILE 31 1HG2 ILE 31 -18.537 -0.687 -2.426 253 HG22 ILE 31 2HG2 ILE 31 -18.295 1.005 -1.989 254 HG23 ILE 31 3HG2 ILE 31 -17.583 -0.273 -1.003 255 HD11 ILE 31 3HD1 ILE 31 -14.917 -2.681 -1.496 256 HD12 ILE 31 1HD1 ILE 31 -16.297 -1.825 -0.810 257 HD13 ILE 31 2HD1 ILE 31 -14.751 -0.995 -1.001 258 H VAL 32 H VAL 32 -15.431 2.513 -4.431 259 HA VAL 32 HA VAL 32 -13.737 1.244 -6.458 260 HB VAL 32 HB VAL 32 -14.046 4.221 -5.941 261 HG11 VAL 32 1HG1 VAL 32 -12.797 4.502 -8.029 262 HG12 VAL 32 2HG1 VAL 32 -12.604 2.750 -8.144 263 HG13 VAL 32 3HG1 VAL 32 -11.849 3.634 -6.818 264 HG21 VAL 32 3HG2 VAL 32 -15.149 2.534 -8.192 265 HG22 VAL 32 1HG2 VAL 32 -15.251 4.290 -8.081 266 HG23 VAL 32 2HG2 VAL 32 -16.086 3.279 -6.901 267 HA PRO 33 HA PRO 33 -11.028 1.325 -2.812 268 HB2 PRO 33 2HB PRO 33 -9.587 -0.719 -4.385 269 HB3 PRO 33 1HB PRO 33 -10.200 -0.817 -2.731 270 HG2 PRO 33 2HG PRO 33 -11.380 -2.174 -4.693 271 HG3 PRO 33 1HG PRO 33 -12.339 -1.399 -3.416 272 HD2 PRO 33 2HD PRO 33 -11.781 -0.427 -6.202 273 HD3 PRO 33 1HD PRO 33 -13.322 -0.476 -5.312 274 H GLN 34 H GLN 34 -10.203 1.203 -6.234 275 HA GLN 34 HA GLN 34 -7.549 2.092 -6.055 276 HB2 GLN 34 2HB GLN 34 -9.496 2.203 -8.327 277 HB3 GLN 34 1HB GLN 34 -7.842 2.785 -8.485 278 HG2 GLN 34 2HG GLN 34 -7.022 0.566 -7.873 279 HG3 GLN 34 1HG GLN 34 -8.682 -0.008 -7.758 280 HE21 GLN 34 1HE2 GLN 34 -6.456 -0.797 -9.454 281 HE22 GLN 34 2HE2 GLN 34 -7.020 -0.689 -11.083 282 H GLU 35 H GLU 35 -10.314 3.839 -5.488 283 HA GLU 35 HA GLU 35 -9.372 6.390 -6.304 284 HB2 GLU 35 2HB GLU 35 -11.782 5.855 -5.981 285 HB3 GLU 35 1HB GLU 35 -11.487 5.634 -4.267 286 HG2 GLU 35 2HG GLU 35 -11.076 7.936 -3.955 287 HG3 GLU 35 1HG GLU 35 -10.982 8.222 -5.690 288 H VAL 36 H VAL 36 -8.847 4.257 -3.644 289 HA VAL 36 HA VAL 36 -7.790 6.153 -1.844 290 HB VAL 36 HB VAL 36 -7.353 3.143 -1.994 291 HG11 VAL 36 1HG1 VAL 36 -6.644 5.072 0.226 292 HG12 VAL 36 2HG1 VAL 36 -5.497 4.228 -0.813 293 HG13 VAL 36 3HG1 VAL 36 -6.505 3.316 0.311 294 HG21 VAL 36 3HG2 VAL 36 -8.903 3.061 -0.096 295 HG22 VAL 36 1HG2 VAL 36 -9.665 3.768 -1.527 296 HG23 VAL 36 2HG2 VAL 36 -9.117 4.808 -0.206 297 H GLU 37 H GLU 37 -6.233 3.730 -4.030 298 HA GLU 37 HA GLU 37 -3.620 4.549 -3.757 299 HB2 GLU 37 2HB GLU 37 -4.923 3.695 -6.353 300 HB3 GLU 37 1HB GLU 37 -3.196 3.782 -6.063 301 HG2 GLU 37 2HG GLU 37 -3.584 1.568 -5.833 302 HG3 GLU 37 1HG GLU 37 -3.728 2.117 -4.155 303 H ALA 38 H ALA 38 -6.033 5.799 -5.885 304 HA ALA 38 HA ALA 38 -4.559 7.723 -7.274 305 HB1 ALA 38 1HB ALA 38 -6.867 7.125 -7.865 306 HB2 ALA 38 2HB ALA 38 -6.661 8.872 -7.730 307 HB3 ALA 38 3HB ALA 38 -7.447 7.975 -6.431 308 H LEU 39 H LEU 39 -6.454 8.262 -4.281 309 HA LEU 39 HA LEU 39 -5.455 10.931 -4.026 310 HB2 LEU 39 2HB LEU 39 -7.663 10.175 -3.123 311 HB3 LEU 39 1HB LEU 39 -6.796 9.248 -1.916 312 HG LEU 39 HG LEU 39 -5.797 11.399 -1.088 313 HD11 LEU 39 1HD1 LEU 39 -6.925 13.489 -1.678 314 HD12 LEU 39 2HD1 LEU 39 -7.842 12.631 -2.919 315 HD13 LEU 39 3HD1 LEU 39 -6.090 12.763 -3.050 316 HD21 LEU 39 3HD2 LEU 39 -7.816 12.112 0.119 317 HD22 LEU 39 1HD2 LEU 39 -7.651 10.356 0.082 318 HD23 LEU 39 2HD2 LEU 39 -8.800 11.154 -0.990 319 H LEU 40 H LEU 40 -4.424 7.833 -2.957 320 HA LEU 40 HA LEU 40 -2.755 8.529 -0.797 321 HB2 LEU 40 2HB LEU 40 -3.581 6.238 -1.395 322 HB3 LEU 40 1HB LEU 40 -2.456 6.234 -2.732 323 HG LEU 40 HG LEU 40 -0.582 6.355 -1.102 324 HD11 LEU 40 1HD1 LEU 40 -1.756 7.425 0.738 325 HD12 LEU 40 2HD1 LEU 40 -1.068 5.886 1.254 326 HD13 LEU 40 3HD1 LEU 40 -2.794 6.012 0.913 327 HD21 LEU 40 3HD2 LEU 40 -1.318 4.213 -2.013 328 HD22 LEU 40 1HD2 LEU 40 -2.521 4.074 -0.729 329 HD23 LEU 40 2HD2 LEU 40 -0.802 4.037 -0.334 330 H ARG 41 H ARG 41 -2.069 8.005 -4.247 331 HA ARG 41 HA ARG 41 0.667 8.764 -3.964 332 HB2 ARG 41 2HB ARG 41 0.801 8.724 -6.423 333 HB3 ARG 41 1HB ARG 41 0.001 7.290 -5.809 334 HG2 ARG 41 2HG ARG 41 -2.178 8.317 -6.407 335 HG3 ARG 41 1HG ARG 41 -1.303 9.672 -7.119 336 HD2 ARG 41 2HD ARG 41 -0.163 8.111 -8.646 337 HD3 ARG 41 1HD ARG 41 -1.081 6.777 -7.948 338 HE ARG 41 HE ARG 41 -2.635 8.958 -9.034 339 HH11 ARG 41 1HH1 ARG 41 -1.245 5.704 -9.718 340 HH12 ARG 41 2HH1 ARG 41 -2.292 5.415 -10.997 341 HH21 ARG 41 1HH2 ARG 41 -4.007 8.501 -10.857 342 HH22 ARG 41 2HH2 ARG 41 -3.859 7.037 -11.700 343 H ARG 42 H ARG 42 -2.258 10.466 -4.573 344 HA ARG 42 HA ARG 42 -1.192 12.964 -5.356 345 HB2 ARG 42 2HB ARG 42 -3.567 12.327 -5.589 346 HB3 ARG 42 1HB ARG 42 -3.712 12.264 -3.846 347 HG2 ARG 42 2HG ARG 42 -4.698 14.284 -4.588 348 HG3 ARG 42 1HG ARG 42 -3.182 14.682 -3.779 349 HD2 ARG 42 2HD ARG 42 -2.090 14.917 -5.954 350 HD3 ARG 42 1HD ARG 42 -3.613 14.517 -6.756 351 HE ARG 42 HE ARG 42 -3.133 16.889 -5.103 352 HH11 ARG 42 1HH1 ARG 42 -4.832 15.329 -7.809 353 HH12 ARG 42 2HH1 ARG 42 -5.774 16.694 -8.171 354 HH21 ARG 42 1HH2 ARG 42 -4.444 18.755 -5.642 355 HH22 ARG 42 2HH2 ARG 42 -5.530 18.680 -6.951 356 H GLU 43 H GLU 43 -1.972 11.496 -2.222 357 HA GLU 43 HA GLU 43 -1.347 13.731 -0.597 358 HB2 GLU 43 2HB GLU 43 -2.782 11.706 -0.016 359 HB3 GLU 43 1HB GLU 43 -1.280 10.824 0.189 360 HG2 GLU 43 2HG GLU 43 -1.877 11.454 2.331 361 HG3 GLU 43 1HG GLU 43 -0.646 12.622 1.869 362 H ALA 44 H ALA 44 0.430 10.988 -1.845 363 HA ALA 44 HA ALA 44 2.795 11.232 -0.381 364 HB1 ALA 44 1HB ALA 44 3.871 10.022 -2.227 365 HB2 ALA 44 2HB ALA 44 2.470 10.334 -3.251 366 HB3 ALA 44 3HB ALA 44 2.309 9.305 -1.829 367 H ALA 45 H ALA 45 1.781 12.735 -3.403 368 HA ALA 45 HA ALA 45 4.123 14.234 -3.880 369 HB1 ALA 45 1HB ALA 45 2.747 15.524 -5.447 370 HB2 ALA 45 2HB ALA 45 1.289 14.815 -4.757 371 HB3 ALA 45 3HB ALA 45 2.441 13.795 -5.615 372 H ASP 46 H ASP 46 1.241 14.835 -2.047 373 HA ASP 46 HA ASP 46 1.753 17.590 -1.437 374 HB2 ASP 46 2HB ASP 46 -0.531 16.656 -1.462 375 HB3 ASP 46 1HB ASP 46 -0.113 15.587 -0.137 376 H GLY 47 H GLY 47 2.928 14.646 -0.233 377 HA2 GLY 47 2HA GLY 47 3.758 15.874 2.299 378 HA3 GLY 47 1HA GLY 47 3.687 14.149 1.977 379 H ILE 48 H ILE 48 4.976 15.757 -0.658 380 HA ILE 48 HA ILE 48 7.529 14.619 -0.338 381 HB ILE 48 HB ILE 48 6.440 16.668 -2.258 382 HG12 ILE 48 2HG1 ILE 48 5.531 14.459 -2.506 383 HG13 ILE 48 1HG1 ILE 48 6.561 14.832 -3.888 384 HG21 ILE 48 1HG2 ILE 48 9.133 15.363 -2.316 385 HG22 ILE 48 2HG2 ILE 48 8.799 17.076 -2.037 386 HG23 ILE 48 3HG2 ILE 48 8.440 16.344 -3.612 387 HD11 ILE 48 3HD1 ILE 48 6.928 12.566 -3.223 388 HD12 ILE 48 1HD1 ILE 48 7.194 13.052 -1.549 389 HD13 ILE 48 2HD1 ILE 48 8.356 13.509 -2.791 390 H GLN 49 H GLN 49 9.310 15.340 0.549 391 HA GLN 49 HA GLN 49 9.227 17.999 1.743 392 HB2 GLN 49 2HB GLN 49 9.392 15.968 3.244 393 HB3 GLN 49 1HB GLN 49 10.901 15.609 2.453 394 HG2 GLN 49 2HG GLN 49 11.945 17.576 3.269 395 HG3 GLN 49 1HG GLN 49 10.425 18.181 3.915 396 HE21 GLN 49 1HE2 GLN 49 11.391 14.829 4.212 397 HE22 GLN 49 2HE2 GLN 49 11.706 14.864 5.902 398 H SER 50 H SER 50 10.534 19.437 0.869 399 HA SER 50 HA SER 50 12.208 18.981 -1.282 400 HB2 SER 50 2HB SER 50 12.316 21.226 0.726 401 HB3 SER 50 1HB SER 50 12.807 21.283 -0.972 402 HG SER 50 HG SER 50 10.661 20.897 -1.543 403 H LEU 51 H LEU 51 13.961 17.794 -1.207 404 HA LEU 51 HA LEU 51 15.774 18.012 1.081 405 HB2 LEU 51 2HB LEU 51 14.372 15.806 0.696 406 HB3 LEU 51 1HB LEU 51 15.507 15.531 -0.607 407 HG LEU 51 HG LEU 51 17.375 15.613 1.090 408 HD11 LEU 51 1HD1 LEU 51 15.103 15.626 3.049 409 HD12 LEU 51 2HD1 LEU 51 16.282 16.919 2.801 410 HD13 LEU 51 3HD1 LEU 51 16.801 15.358 3.433 411 HD21 LEU 51 3HD2 LEU 51 15.225 13.544 1.536 412 HD22 LEU 51 1HD2 LEU 51 16.914 13.400 2.013 413 HD23 LEU 51 2HD2 LEU 51 16.484 13.490 0.307 414 H GLN 52 H GLN 52 17.868 16.578 -0.143 415 HA GLN 52 HA GLN 52 19.240 18.360 -1.685 416 HB2 GLN 52 2HB GLN 52 19.374 15.348 -1.877 417 HB3 GLN 52 1HB GLN 52 20.619 16.465 -2.417 418 HG2 GLN 52 2HG GLN 52 20.948 17.214 -0.112 419 HG3 GLN 52 1HG GLN 52 19.687 16.109 0.422 420 HE21 GLN 52 1HE2 GLN 52 22.470 16.246 1.180 421 HE22 GLN 52 2HE2 GLN 52 23.166 14.720 0.814 422 H GLY 53 H GLY 53 19.642 18.606 -3.895 423 HA2 GLY 53 2HA GLY 53 17.315 18.760 -5.461 424 HA3 GLY 53 1HA GLY 53 18.952 19.080 -5.995 425 H ASN 54 H ASN 54 19.382 16.179 -5.042 426 HA ASN 54 HA ASN 54 19.078 15.081 -7.631 427 HB2 ASN 54 2HB ASN 54 19.945 13.761 -5.061 428 HB3 ASN 54 1HB ASN 54 19.901 12.932 -6.613 429 HD21 ASN 54 1HD2 ASN 54 21.321 13.599 -8.236 430 HD22 ASN 54 2HD2 ASN 54 22.747 14.490 -7.880 431 H ARG 55 H ARG 55 17.473 14.551 -4.514 432 HA ARG 55 HA ARG 55 15.129 13.719 -5.812 433 HB2 ARG 55 2HB ARG 55 15.065 11.420 -4.666 434 HB3 ARG 55 1HB ARG 55 16.018 11.598 -6.128 435 HG2 ARG 55 2HG ARG 55 18.033 11.815 -4.760 436 HG3 ARG 55 1HG ARG 55 17.045 11.572 -3.317 437 HD2 ARG 55 2HD ARG 55 16.430 9.355 -4.066 438 HD3 ARG 55 1HD ARG 55 17.289 9.605 -5.587 439 HE ARG 55 HE ARG 55 19.197 10.043 -3.781 440 HH11 ARG 55 1HH1 ARG 55 16.946 7.298 -4.078 441 HH12 ARG 55 2HH1 ARG 55 18.067 6.196 -3.441 442 HH21 ARG 55 1HH2 ARG 55 20.671 8.517 -2.975 443 HH22 ARG 55 2HH2 ARG 55 20.239 6.882 -2.812 444 H LEU 56 H LEU 56 13.382 13.579 -4.568 445 HA LEU 56 HA LEU 56 13.451 15.266 -2.149 446 HB2 LEU 56 2HB LEU 56 11.183 14.329 -3.892 447 HB3 LEU 56 1HB LEU 56 11.151 15.593 -2.672 448 HG LEU 56 HG LEU 56 12.754 15.737 -5.230 449 HD11 LEU 56 1HD1 LEU 56 10.163 17.081 -4.518 450 HD12 LEU 56 2HD1 LEU 56 10.368 15.785 -5.698 451 HD13 LEU 56 3HD1 LEU 56 11.112 17.362 -5.977 452 HD21 LEU 56 3HD2 LEU 56 13.733 17.045 -3.428 453 HD22 LEU 56 1HD2 LEU 56 12.164 17.790 -3.111 454 HD23 LEU 56 2HD2 LEU 56 12.999 18.109 -4.631 455 H LEU 57 H LEU 57 12.252 14.739 -0.310 456 HA LEU 57 HA LEU 57 12.446 11.894 0.206 457 HB2 LEU 57 2HB LEU 57 13.240 14.078 1.645 458 HB3 LEU 57 1HB LEU 57 11.647 13.807 2.302 459 HG LEU 57 HG LEU 57 13.829 11.727 2.290 460 HD11 LEU 57 1HD1 LEU 57 14.008 12.173 4.680 461 HD12 LEU 57 2HD1 LEU 57 12.867 13.509 4.516 462 HD13 LEU 57 3HD1 LEU 57 14.437 13.582 3.713 463 HD21 LEU 57 3HD2 LEU 57 11.179 11.819 3.710 464 HD22 LEU 57 1HD2 LEU 57 12.400 10.551 3.854 465 HD23 LEU 57 2HD2 LEU 57 11.570 10.817 2.309 466 H ALA 58 H ALA 58 10.699 10.739 0.038 467 HA ALA 58 HA ALA 58 8.082 11.988 -0.099 468 HB1 ALA 58 1HB ALA 58 7.379 9.815 -1.029 469 HB2 ALA 58 2HB ALA 58 9.018 9.201 -0.803 470 HB3 ALA 58 3HB ALA 58 8.716 10.522 -1.936 471 HA PRO 59 HA PRO 59 6.788 10.502 3.910 472 HB2 PRO 59 2HB PRO 59 4.322 9.558 2.558 473 HB3 PRO 59 1HB PRO 59 4.499 10.656 3.929 474 HG2 PRO 59 2HG PRO 59 3.824 11.600 1.558 475 HG3 PRO 59 1HG PRO 59 4.987 12.474 2.574 476 HD2 PRO 59 2HD PRO 59 5.496 10.715 0.209 477 HD3 PRO 59 1HD PRO 59 6.232 12.276 0.645 478 H ASN 60 H ASN 60 6.640 8.621 5.062 479 HA ASN 60 HA ASN 60 6.902 6.158 3.495 480 HB2 ASN 60 2HB ASN 60 8.206 5.220 5.311 481 HB3 ASN 60 1HB ASN 60 8.989 6.653 4.657 482 HD21 ASN 60 1HD2 ASN 60 9.303 5.397 7.287 483 HD22 ASN 60 2HD2 ASN 60 8.913 6.620 8.450 484 H GLU 61 H GLU 61 5.449 7.638 6.330 485 HA GLU 61 HA GLU 61 3.861 5.213 6.624 486 HB2 GLU 61 2HB GLU 61 4.946 5.853 8.710 487 HB3 GLU 61 1HB GLU 61 4.264 7.473 8.606 488 HG2 GLU 61 2HG GLU 61 2.025 6.592 8.861 489 HG3 GLU 61 1HG GLU 61 2.637 4.946 8.856 490 H TYR 62 H TYR 62 1.941 5.173 5.947 491 HA TYR 62 HA TYR 62 0.513 7.695 5.435 492 HB2 TYR 62 2HB TYR 62 0.420 5.102 3.899 493 HB3 TYR 62 1HB TYR 62 -0.667 6.453 3.614 494 HD1 TYR 62 1HD TYR 62 2.935 5.505 3.578 495 HD2 TYR 62 2HD TYR 62 -0.046 8.180 2.156 496 HE1 TYR 62 1HE TYR 62 4.565 6.491 2.060 497 HE2 TYR 62 2HE TYR 62 1.572 9.183 0.616 498 HH TYR 62 HH TYR 62 4.721 7.802 0.133 499 H ILE 63 H ILE 63 -1.123 7.935 6.712 500 HA ILE 63 HA ILE 63 -2.321 5.582 7.939 501 HB ILE 63 HB ILE 63 -2.839 8.508 8.618 502 HG12 ILE 63 2HG1 ILE 63 -1.620 7.911 10.816 503 HG13 ILE 63 1HG1 ILE 63 -1.001 6.507 9.964 504 HG21 ILE 63 1HG2 ILE 63 -3.924 7.616 10.644 505 HG22 ILE 63 2HG2 ILE 63 -3.646 5.977 10.042 506 HG23 ILE 63 3HG2 ILE 63 -4.703 7.062 9.158 507 HD11 ILE 63 3HD1 ILE 63 -0.499 9.390 9.240 508 HD12 ILE 63 1HD1 ILE 63 0.127 7.985 8.374 509 HD13 ILE 63 2HD1 ILE 63 0.635 8.292 10.035 510 H ILE 64 H ILE 64 -3.898 4.769 6.774 511 HA ILE 64 HA ILE 64 -5.617 6.554 5.251 512 HB ILE 64 HB ILE 64 -5.239 3.553 5.003 513 HG12 ILE 64 2HG1 ILE 64 -4.152 5.776 3.247 514 HG13 ILE 64 1HG1 ILE 64 -3.204 4.842 4.386 515 HG21 ILE 64 1HG2 ILE 64 -6.492 3.815 2.900 516 HG22 ILE 64 2HG2 ILE 64 -6.666 5.541 3.225 517 HG23 ILE 64 3HG2 ILE 64 -7.433 4.364 4.293 518 HD11 ILE 64 3HD1 ILE 64 -4.593 3.771 1.936 519 HD12 ILE 64 1HD1 ILE 64 -3.656 2.813 3.085 520 HD13 ILE 64 2HD1 ILE 64 -2.860 4.058 2.126 521 H THR 65 H THR 65 -7.265 7.072 6.428 522 HA THR 65 HA THR 65 -8.459 5.067 8.178 523 HB THR 65 HB THR 65 -8.627 8.072 8.305 524 HG1 THR 65 1HG THR 65 -6.744 6.345 9.031 525 HG21 THR 65 3HG2 THR 65 -10.577 6.921 9.263 526 HG22 THR 65 1HG2 THR 65 -9.598 7.656 10.533 527 HG23 THR 65 2HG2 THR 65 -9.502 5.918 10.238 528 H LEU 66 H LEU 66 -10.300 4.309 7.521 529 HA LEU 66 HA LEU 66 -12.048 6.009 5.869 530 HB2 LEU 66 2HB LEU 66 -11.909 2.991 5.916 531 HB3 LEU 66 1HB LEU 66 -13.179 3.898 5.133 532 HG LEU 66 HG LEU 66 -11.306 4.956 3.770 533 HD11 LEU 66 1HD1 LEU 66 -9.830 2.541 4.757 534 HD12 LEU 66 2HD1 LEU 66 -9.438 4.245 5.034 535 HD13 LEU 66 3HD1 LEU 66 -9.344 3.575 3.405 536 HD21 LEU 66 3HD2 LEU 66 -12.924 3.528 2.793 537 HD22 LEU 66 1HD2 LEU 66 -12.108 2.091 3.415 538 HD23 LEU 66 2HD2 LEU 66 -11.335 3.079 2.170 539 H GLY 67 H GLY 67 -14.398 5.228 6.065 540 HA2 GLY 67 2HA GLY 67 -15.174 5.508 8.776 541 HA3 GLY 67 1HA GLY 67 -16.238 5.183 7.404 542 H VAL 68 H VAL 68 -16.317 3.958 9.975 543 HA VAL 68 HA VAL 68 -15.112 1.441 10.090 544 HB VAL 68 HB VAL 68 -17.840 2.151 11.147 545 HG11 VAL 68 1HG1 VAL 68 -15.850 0.077 12.071 546 HG12 VAL 68 2HG1 VAL 68 -17.379 -0.232 11.251 547 HG13 VAL 68 3HG1 VAL 68 -17.374 0.452 12.877 548 HG21 VAL 68 3HG2 VAL 68 -16.218 3.813 11.885 549 HG22 VAL 68 1HG2 VAL 68 -15.151 2.538 12.467 550 HG23 VAL 68 2HG2 VAL 68 -16.716 2.801 13.237 551 H HIS 69 H HIS 69 -18.144 2.471 8.643 552 HA HIS 69 HA HIS 69 -19.119 -0.087 7.968 553 HB2 HIS 69 2HB HIS 69 -20.433 2.096 8.169 554 HB3 HIS 69 1HB HIS 69 -19.808 2.508 6.583 555 HD1 HIS 69 1HD HIS 69 -22.752 1.222 8.057 556 HD2 HIS 69 2HD HIS 69 -20.569 0.233 4.663 557 HE1 HIS 69 1HE HIS 69 -24.309 -0.100 6.585 558 H ASP 70 H ASP 70 -16.936 2.142 6.337 559 HA ASP 70 HA ASP 70 -17.003 0.737 3.829 560 HB2 ASP 70 2HB ASP 70 -15.007 2.727 4.931 561 HB3 ASP 70 1HB ASP 70 -14.898 2.027 3.324 562 H PHE 71 H PHE 71 -14.881 0.862 6.643 563 HA PHE 71 HA PHE 71 -12.845 -0.741 5.614 564 HB2 PHE 71 2HB PHE 71 -12.631 0.776 7.520 565 HB3 PHE 71 1HB PHE 71 -13.623 -0.305 8.496 566 HD1 PHE 71 2HD PHE 71 -10.431 0.198 6.883 567 HD2 PHE 71 1HD PHE 71 -12.732 -2.369 9.313 568 HE1 PHE 71 2HE PHE 71 -8.370 -1.051 7.494 569 HE2 PHE 71 1HE PHE 71 -10.704 -3.637 9.935 570 HZ PHE 71 HZ PHE 71 -8.518 -2.971 9.016 571 H GLU 72 H GLU 72 -15.702 -1.580 7.541 572 HA GLU 72 HA GLU 72 -15.027 -4.261 7.965 573 HB2 GLU 72 2HB GLU 72 -17.410 -4.547 8.536 574 HB3 GLU 72 1HB GLU 72 -16.640 -3.106 9.215 575 HG2 GLU 72 2HG GLU 72 -17.696 -1.676 7.712 576 HG3 GLU 72 1HG GLU 72 -18.300 -3.013 6.753 577 H LYS 73 H LYS 73 -16.622 -2.689 5.330 578 HA LYS 73 HA LYS 73 -17.264 -5.151 3.987 579 HB2 LYS 73 2HB LYS 73 -17.494 -2.284 3.167 580 HB3 LYS 73 1HB LYS 73 -17.497 -3.507 1.912 581 HG2 LYS 73 2HG LYS 73 -19.763 -2.902 2.491 582 HG3 LYS 73 1HG LYS 73 -19.453 -4.567 2.961 583 HD2 LYS 73 2HD LYS 73 -19.131 -3.865 5.255 584 HD3 LYS 73 1HD LYS 73 -19.430 -2.174 4.811 585 HE2 LYS 73 2HE LYS 73 -21.682 -2.900 4.014 586 HE3 LYS 73 1HE LYS 73 -21.340 -4.505 4.663 587 HZ1 LYS 73 3HZ LYS 73 -21.047 -3.394 6.878 588 HZ2 LYS 73 1HZ LYS 73 -22.615 -3.288 6.244 589 HZ3 LYS 73 2HZ LYS 73 -21.597 -1.968 6.156 590 H LEU 74 H LEU 74 -14.563 -3.066 4.067 591 HA LEU 74 HA LEU 74 -13.264 -4.133 1.730 592 HB2 LEU 74 2HB LEU 74 -11.989 -2.872 4.169 593 HB3 LEU 74 1HB LEU 74 -11.186 -3.195 2.653 594 HG LEU 74 HG LEU 74 -13.316 -1.133 3.181 595 HD11 LEU 74 1HD1 LEU 74 -11.175 -0.502 4.019 596 HD12 LEU 74 2HD1 LEU 74 -11.503 0.410 2.536 597 HD13 LEU 74 3HD1 LEU 74 -10.402 -0.959 2.505 598 HD21 LEU 74 3HD2 LEU 74 -11.932 -1.839 0.585 599 HD22 LEU 74 1HD2 LEU 74 -12.989 -0.450 0.843 600 HD23 LEU 74 2HD2 LEU 74 -13.641 -2.083 0.950 601 H GLY 75 H GLY 75 -13.276 -4.772 5.134 602 HA2 GLY 75 2HA GLY 75 -13.160 -7.229 5.614 603 HA3 GLY 75 1HA GLY 75 -11.658 -7.156 4.684 604 H ALA 76 H ALA 76 -12.094 -7.827 7.511 605 HA ALA 76 HA ALA 76 -11.433 -5.587 9.117 606 HB1 ALA 76 1HB ALA 76 -11.288 -8.488 9.866 607 HB2 ALA 76 2HB ALA 76 -12.735 -7.484 9.940 608 HB3 ALA 76 3HB ALA 76 -11.349 -7.113 10.965 609 H ASP 77 H ASP 77 -9.395 -7.703 7.320 610 HA ASP 77 HA ASP 77 -7.150 -7.288 9.115 611 HB2 ASP 77 2HB ASP 77 -5.849 -8.746 7.807 612 HB3 ASP 77 1HB ASP 77 -7.464 -9.392 7.571 613 HA PRO 78 HA PRO 78 -5.795 -3.645 6.836 614 HB2 PRO 78 2HB PRO 78 -3.681 -3.527 8.854 615 HB3 PRO 78 1HB PRO 78 -4.946 -2.345 8.514 616 HG2 PRO 78 2HG PRO 78 -4.908 -3.828 10.776 617 HG3 PRO 78 1HG PRO 78 -6.414 -3.289 10.012 618 HD2 PRO 78 2HD PRO 78 -5.068 -5.963 9.886 619 HD3 PRO 78 1HD PRO 78 -6.795 -5.565 10.069 620 H GLU 79 H GLU 79 -3.939 -6.308 8.122 621 HA GLU 79 HA GLU 79 -1.415 -5.830 7.180 622 HB2 GLU 79 2HB GLU 79 -2.708 -8.479 7.738 623 HB3 GLU 79 1HB GLU 79 -1.012 -8.308 7.335 624 HG2 GLU 79 2HG GLU 79 -1.190 -8.499 9.702 625 HG3 GLU 79 1HG GLU 79 -0.761 -6.834 9.336 626 H LEU 80 H LEU 80 -3.821 -7.836 5.334 627 HA LEU 80 HA LEU 80 -1.825 -8.417 3.367 628 HB2 LEU 80 2HB LEU 80 -4.804 -8.886 3.448 629 HB3 LEU 80 1HB LEU 80 -3.846 -9.269 2.044 630 HG LEU 80 HG LEU 80 -4.269 -11.283 3.247 631 HD11 LEU 80 1HD1 LEU 80 -2.097 -11.151 2.233 632 HD12 LEU 80 2HD1 LEU 80 -2.043 -12.114 3.707 633 HD13 LEU 80 3HD1 LEU 80 -1.418 -10.466 3.710 634 HD21 LEU 80 3HD2 LEU 80 -4.757 -10.363 5.455 635 HD22 LEU 80 1HD2 LEU 80 -3.051 -9.984 5.686 636 HD23 LEU 80 2HD2 LEU 80 -3.574 -11.666 5.562 637 H LYS 81 H LYS 81 -4.282 -6.117 3.817 638 HA LYS 81 HA LYS 81 -4.269 -5.067 1.154 639 HB2 LYS 81 2HB LYS 81 -5.165 -3.744 3.727 640 HB3 LYS 81 1HB LYS 81 -5.596 -3.245 2.096 641 HG2 LYS 81 2HG LYS 81 -6.795 -5.340 1.756 642 HG3 LYS 81 1HG LYS 81 -6.343 -5.867 3.375 643 HD2 LYS 81 2HD LYS 81 -7.577 -3.959 4.318 644 HD3 LYS 81 1HD LYS 81 -8.051 -3.477 2.687 645 HE2 LYS 81 2HE LYS 81 -9.845 -4.721 3.762 646 HE3 LYS 81 1HE LYS 81 -9.199 -5.624 2.395 647 HZ1 LYS 81 3HZ LYS 81 -8.408 -6.067 5.206 648 HZ2 LYS 81 1HZ LYS 81 -8.002 -7.069 3.945 649 HZ3 LYS 81 2HZ LYS 81 -9.597 -6.983 4.461 650 H SER 82 H SER 82 -2.704 -4.305 4.197 651 HA SER 82 HA SER 82 -1.358 -1.991 3.444 652 HB2 SER 82 2HB SER 82 -1.628 -2.745 5.788 653 HB3 SER 82 1HB SER 82 -0.551 -4.099 5.469 654 HG SER 82 HG SER 82 -0.000 -1.393 5.797 655 H THR 83 H THR 83 -0.451 -5.399 3.268 656 HA THR 83 HA THR 83 2.177 -5.084 2.406 657 HB THR 83 HB THR 83 0.267 -7.337 1.686 658 HG1 THR 83 1HG THR 83 0.530 -6.799 4.032 659 HG21 THR 83 3HG2 THR 83 2.310 -8.697 1.587 660 HG22 THR 83 1HG2 THR 83 3.274 -7.266 1.959 661 HG23 THR 83 2HG2 THR 83 2.385 -7.358 0.438 662 H GLY 84 H GLY 84 -0.845 -5.381 0.536 663 HA2 GLY 84 2HA GLY 84 0.377 -5.341 -2.007 664 HA3 GLY 84 1HA GLY 84 -1.322 -5.045 -1.672 665 H PHE 85 H PHE 85 -1.238 -2.816 -0.143 666 HA PHE 85 HA PHE 85 -0.893 -0.848 -2.126 667 HB2 PHE 85 2HB PHE 85 -1.748 -0.768 0.726 668 HB3 PHE 85 1HB PHE 85 -1.459 0.735 -0.149 669 HD1 PHE 85 2HD PHE 85 -3.278 -2.509 -0.623 670 HD2 PHE 85 1HD PHE 85 -3.266 1.708 -1.132 671 HE1 PHE 85 2HE PHE 85 -5.545 -2.625 -1.535 672 HE2 PHE 85 1HE PHE 85 -5.528 1.607 -2.046 673 HZ PHE 85 HZ PHE 85 -6.689 -0.558 -2.250 674 H ALA 86 H ALA 86 1.032 -1.627 0.777 675 HA ALA 86 HA ALA 86 2.661 0.676 0.639 676 HB1 ALA 86 1HB ALA 86 3.373 -2.025 1.796 677 HB2 ALA 86 2HB ALA 86 2.553 -0.724 2.662 678 HB3 ALA 86 3HB ALA 86 4.209 -0.506 2.113 679 H ARG 87 H ARG 87 2.994 -2.548 -0.738 680 HA ARG 87 HA ARG 87 5.541 -2.115 -1.859 681 HB2 ARG 87 2HB ARG 87 4.766 -4.358 -1.474 682 HB3 ARG 87 1HB ARG 87 3.350 -4.109 -2.465 683 HG2 ARG 87 2HG ARG 87 6.044 -3.934 -3.742 684 HG3 ARG 87 1HG ARG 87 5.418 -5.521 -3.299 685 HD2 ARG 87 2HD ARG 87 4.246 -5.536 -5.200 686 HD3 ARG 87 1HD ARG 87 3.308 -4.190 -4.578 687 HE ARG 87 HE ARG 87 5.701 -3.249 -5.737 688 HH11 ARG 87 1HH1 ARG 87 2.459 -4.443 -6.538 689 HH12 ARG 87 2HH1 ARG 87 2.424 -3.823 -8.112 690 HH21 ARG 87 1HH2 ARG 87 5.681 -2.373 -8.000 691 HH22 ARG 87 2HH2 ARG 87 4.293 -2.640 -8.942 692 H ASP 88 H ASP 88 2.298 -1.528 -3.032 693 HA ASP 88 HA ASP 88 3.069 -0.936 -5.703 694 HB2 ASP 88 2HB ASP 88 0.755 -1.577 -5.070 695 HB3 ASP 88 1HB ASP 88 0.590 -0.055 -4.210 696 H LEU 89 H LEU 89 2.414 1.057 -2.858 697 HA LEU 89 HA LEU 89 2.874 3.556 -4.122 698 HB2 LEU 89 2HB LEU 89 1.598 3.117 -1.960 699 HB3 LEU 89 1HB LEU 89 3.135 2.881 -1.176 700 HG LEU 89 HG LEU 89 2.079 5.081 -0.707 701 HD11 LEU 89 1HD1 LEU 89 4.462 4.908 -0.440 702 HD12 LEU 89 2HD1 LEU 89 4.033 6.499 -1.081 703 HD13 LEU 89 3HD1 LEU 89 4.703 5.269 -2.149 704 HD21 LEU 89 3HD2 LEU 89 2.049 6.821 -2.419 705 HD22 LEU 89 1HD2 LEU 89 1.008 5.468 -2.853 706 HD23 LEU 89 2HD2 LEU 89 2.587 5.657 -3.625 707 H ALA 90 H ALA 90 4.989 1.314 -2.394 708 HA ALA 90 HA ALA 90 7.269 2.956 -2.364 709 HB1 ALA 90 1HB ALA 90 7.075 0.933 -0.991 710 HB2 ALA 90 2HB ALA 90 8.543 0.909 -1.964 711 HB3 ALA 90 3HB ALA 90 7.149 -0.062 -2.445 712 H ASP 91 H ASP 91 5.877 0.921 -4.791 713 HA ASP 91 HA ASP 91 8.085 0.867 -6.598 714 HB2 ASP 91 2HB ASP 91 5.922 -0.577 -6.592 715 HB3 ASP 91 1HB ASP 91 5.193 0.785 -7.433 716 H TYR 92 H TYR 92 5.239 2.889 -6.215 717 HA TYR 92 HA TYR 92 5.625 4.665 -8.329 718 HB2 TYR 92 2HB TYR 92 4.226 4.965 -5.717 719 HB3 TYR 92 1HB TYR 92 4.464 6.369 -6.742 720 HD1 TYR 92 2HD TYR 92 3.441 6.468 -8.933 721 HD2 TYR 92 1HD TYR 92 2.664 3.289 -6.263 722 HE1 TYR 92 2HE TYR 92 1.423 5.876 -10.239 723 HE2 TYR 92 1HE TYR 92 0.673 2.675 -7.532 724 HH TYR 92 HH TYR 92 -0.850 3.520 -9.065 725 H ILE 93 H ILE 93 6.816 4.936 -4.986 726 HA ILE 93 HA ILE 93 7.910 7.455 -5.485 727 HB ILE 93 HB ILE 93 9.263 7.267 -3.430 728 HG12 ILE 93 2HG1 ILE 93 8.272 4.407 -3.310 729 HG13 ILE 93 1HG1 ILE 93 9.920 4.888 -3.669 730 HG21 ILE 93 1HG2 ILE 93 6.935 7.902 -3.219 731 HG22 ILE 93 2HG2 ILE 93 7.413 6.916 -1.838 732 HG23 ILE 93 3HG2 ILE 93 6.461 6.207 -3.140 733 HD11 ILE 93 3HD1 ILE 93 10.121 5.859 -1.427 734 HD12 ILE 93 1HD1 ILE 93 9.709 4.143 -1.368 735 HD13 ILE 93 2HD1 ILE 93 8.467 5.358 -1.074 736 H GLN 94 H GLN 94 9.259 4.260 -5.921 737 HA GLN 94 HA GLN 94 11.894 5.003 -6.613 738 HB2 GLN 94 2HB GLN 94 10.194 2.730 -7.630 739 HB3 GLN 94 1HB GLN 94 11.918 2.891 -7.908 740 HG2 GLN 94 2HG GLN 94 12.353 2.649 -5.549 741 HG3 GLN 94 1HG GLN 94 10.623 2.642 -5.207 742 HE21 GLN 94 1HE2 GLN 94 10.699 0.658 -4.278 743 HE22 GLN 94 2HE2 GLN 94 10.877 -0.813 -5.158 744 H GLU 95 H GLU 95 8.949 4.569 -8.543 745 HA GLU 95 HA GLU 95 9.973 5.077 -11.041 746 HB2 GLU 95 2HB GLU 95 7.237 5.435 -9.883 747 HB3 GLU 95 1HB GLU 95 7.563 5.670 -11.587 748 HG2 GLU 95 2HG GLU 95 7.953 3.144 -10.004 749 HG3 GLU 95 1HG GLU 95 6.686 3.458 -11.189 750 H GLN 96 H GLN 96 8.933 7.295 -8.578 751 HA GLN 96 HA GLN 96 9.040 9.578 -10.379 752 HB2 GLN 96 2HB GLN 96 8.567 9.515 -7.422 753 HB3 GLN 96 1HB GLN 96 8.235 10.859 -8.493 754 HG2 GLN 96 2HG GLN 96 6.837 8.194 -8.344 755 HG3 GLN 96 1HG GLN 96 6.163 9.782 -7.999 756 HE21 GLN 96 1HE2 GLN 96 5.425 7.616 -9.859 757 HE22 GLN 96 2HE2 GLN 96 5.333 8.335 -11.417 758 H GLY 97 H GLY 97 11.202 7.862 -8.498 759 HA2 GLY 97 2HA GLY 97 13.411 8.256 -8.086 760 HA3 GLY 97 1HA GLY 97 13.242 9.816 -8.880 761 H TRP 98 H TRP 98 11.335 8.673 -6.165 762 HA TRP 98 HA TRP 98 12.472 10.843 -4.567 763 HB2 TRP 98 2HB TRP 98 9.892 9.303 -4.170 764 HB3 TRP 98 1HB TRP 98 10.484 10.589 -3.129 765 HD1 TRP 98 HD TRP 98 11.355 12.532 -5.641 766 HE1 TRP 98 1HE TRP 98 9.487 13.791 -6.860 767 HE3 TRP 98 3HE TRP 98 7.374 9.645 -4.234 768 HZ2 TRP 98 2HZ TRP 98 6.685 13.619 -7.168 769 HZ3 TRP 98 3HZ TRP 98 5.129 10.271 -5.025 770 HH2 TRP 98 HH TRP 98 4.793 12.218 -6.460 771 H GLN 99 H GLN 99 12.803 10.389 -2.266 772 HA GLN 99 HA GLN 99 13.547 7.585 -1.757 773 HB2 GLN 99 2HB GLN 99 15.528 8.414 -0.512 774 HB3 GLN 99 1HB GLN 99 15.601 8.770 -2.227 775 HG2 GLN 99 2HG GLN 99 14.915 11.080 -1.775 776 HG3 GLN 99 1HG GLN 99 14.850 10.714 -0.052 777 HE21 GLN 99 1HE2 GLN 99 16.530 12.641 -1.569 778 HE22 GLN 99 2HE2 GLN 99 18.150 12.217 -1.187 779 H THR 100 H THR 100 13.847 7.232 0.687 780 HA THR 100 HA THR 100 12.573 9.101 2.373 781 HB THR 100 HB THR 100 10.599 7.965 1.285 782 HG1 THR 100 1HG THR 100 9.831 8.571 3.085 783 HG21 THR 100 3HG2 THR 100 11.548 5.716 1.002 784 HG22 THR 100 1HG2 THR 100 10.058 5.643 1.945 785 HG23 THR 100 2HG2 THR 100 11.621 5.516 2.753 786 H TYR 101 H TYR 101 12.198 7.748 4.611 787 HA TYR 101 HA TYR 101 14.546 6.052 4.982 788 HB2 TYR 101 2HB TYR 101 13.833 8.439 6.704 789 HB3 TYR 101 1HB TYR 101 14.956 7.184 7.209 790 HD1 TYR 101 2HD TYR 101 17.049 6.823 5.830 791 HD2 TYR 101 1HD TYR 101 14.554 10.232 5.355 792 HE1 TYR 101 2HE TYR 101 18.894 8.004 4.724 793 HE2 TYR 101 1HE TYR 101 16.399 11.427 4.241 794 HH TYR 101 HH TYR 101 19.174 9.868 3.131 795 H GLY 102 H GLY 102 14.134 4.290 6.095 796 HA2 GLY 102 2HA GLY 102 13.041 3.156 7.902 797 HA3 GLY 102 1HA GLY 102 11.635 4.192 7.633 798 H ASP 103 H ASP 103 10.295 2.370 7.290 799 HA ASP 103 HA ASP 103 10.650 1.353 4.570 800 HB2 ASP 103 2HB ASP 103 10.954 -0.444 6.324 801 HB3 ASP 103 1HB ASP 103 9.292 -0.127 6.830 802 H VAL 104 H VAL 104 8.845 1.378 3.322 803 HA VAL 104 HA VAL 104 6.913 3.371 4.014 804 HB VAL 104 HB VAL 104 6.980 1.542 1.590 805 HG11 VAL 104 1HG1 VAL 104 5.507 3.197 0.530 806 HG12 VAL 104 2HG1 VAL 104 5.442 4.104 2.041 807 HG13 VAL 104 3HG1 VAL 104 4.754 2.482 1.956 808 HG21 VAL 104 3HG2 VAL 104 8.981 2.932 1.748 809 HG22 VAL 104 1HG2 VAL 104 7.975 4.371 1.927 810 HG23 VAL 104 2HG2 VAL 104 7.956 3.461 0.413 811 H VAL 105 H VAL 105 5.254 2.997 5.254 812 HA VAL 105 HA VAL 105 3.912 0.425 5.052 813 HB VAL 105 HB VAL 105 3.442 0.504 7.525 814 HG11 VAL 105 1HG1 VAL 105 6.344 0.320 6.728 815 HG12 VAL 105 2HG1 VAL 105 5.154 -0.979 6.646 816 HG13 VAL 105 3HG1 VAL 105 5.652 -0.335 8.212 817 HG21 VAL 105 3HG2 VAL 105 4.920 1.869 8.962 818 HG22 VAL 105 1HG2 VAL 105 3.892 2.878 7.942 819 HG23 VAL 105 2HG2 VAL 105 5.584 2.641 7.520 820 H VAL 106 H VAL 106 1.846 0.548 4.658 821 HA VAL 106 HA VAL 106 0.540 3.093 5.110 822 HB VAL 106 HB VAL 106 -1.132 2.362 3.454 823 HG11 VAL 106 1HG1 VAL 106 0.277 2.472 1.422 824 HG12 VAL 106 2HG1 VAL 106 1.701 2.204 2.422 825 HG13 VAL 106 3HG1 VAL 106 0.748 3.671 2.623 826 HG21 VAL 106 3HG2 VAL 106 0.639 -0.043 3.068 827 HG22 VAL 106 1HG2 VAL 106 -0.742 0.391 2.056 828 HG23 VAL 106 2HG2 VAL 106 -0.983 -0.026 3.758 829 H ARG 107 H ARG 107 -1.060 3.200 6.478 830 HA ARG 107 HA ARG 107 -1.754 0.780 7.985 831 HB2 ARG 107 2HB ARG 107 -1.799 3.704 8.635 832 HB3 ARG 107 1HB ARG 107 -2.501 2.462 9.663 833 HG2 ARG 107 2HG ARG 107 -0.427 1.574 10.211 834 HG3 ARG 107 1HG ARG 107 0.364 2.334 8.827 835 HD2 ARG 107 2HD ARG 107 0.862 3.389 11.047 836 HD3 ARG 107 1HD ARG 107 0.245 4.475 9.812 837 HE ARG 107 HE ARG 107 -1.964 3.649 11.269 838 HH11 ARG 107 1HH1 ARG 107 1.078 5.325 12.042 839 HH12 ARG 107 2HH1 ARG 107 0.328 6.325 13.213 840 HH21 ARG 107 1HH2 ARG 107 -2.917 4.972 12.775 841 HH22 ARG 107 2HH2 ARG 107 -2.022 6.142 13.663 842 H PHE 108 H PHE 108 -3.764 0.052 7.756 843 HA PHE 108 HA PHE 108 -5.797 1.908 6.780 844 HB2 PHE 108 2HB PHE 108 -5.657 -1.120 6.625 845 HB3 PHE 108 1HB PHE 108 -7.095 -0.187 6.244 846 HD1 PHE 108 1HD PHE 108 -3.604 -0.806 5.225 847 HD2 PHE 108 2HD PHE 108 -7.395 0.792 4.168 848 HE1 PHE 108 1HE PHE 108 -2.868 -0.596 2.877 849 HE2 PHE 108 2HE PHE 108 -6.663 1.016 1.836 850 HZ PHE 108 HZ PHE 108 -4.398 0.318 1.192 851 H GLU 109 H GLU 109 -7.024 2.633 8.328 852 HA GLU 109 HA GLU 109 -7.948 0.815 10.332 853 HB2 GLU 109 2HB GLU 109 -7.376 2.461 12.163 854 HB3 GLU 109 1HB GLU 109 -6.021 1.588 11.475 855 HG2 GLU 109 2HG GLU 109 -5.576 3.617 10.066 856 HG3 GLU 109 1HG GLU 109 -6.792 4.460 11.030 857 H GLN 110 H GLN 110 -9.632 1.879 11.679 858 HA GLN 110 HA GLN 110 -11.150 3.695 9.956 859 HB2 GLN 110 2HB GLN 110 -13.200 2.630 10.632 860 HB3 GLN 110 1HB GLN 110 -12.140 1.433 9.887 861 HG2 GLN 110 2HG GLN 110 -12.655 1.793 12.846 862 HG3 GLN 110 1HG GLN 110 -13.399 0.575 11.826 863 HE21 GLN 110 1HE2 GLN 110 -11.752 0.360 14.209 864 HE22 GLN 110 2HE2 GLN 110 -10.410 -0.635 13.814 865 H SER 111 H SER 111 -12.578 5.116 10.959 866 HA SER 111 HA SER 111 -12.322 5.392 13.826 867 HB2 SER 111 2HB SER 111 -12.010 7.604 11.792 868 HB3 SER 111 1HB SER 111 -12.100 7.822 13.539 869 HG SER 111 HG SER 111 -10.254 5.995 13.028 870 H SER 112 H SER 112 -14.231 6.137 14.765 871 HA SER 112 HA SER 112 -16.604 5.823 13.272 872 HB2 SER 112 2HB SER 112 -17.511 6.715 15.557 873 HB3 SER 112 1HB SER 112 -16.739 5.126 15.477 874 HG SER 112 HG SER 112 -16.054 6.912 17.097 875 H ASN 113 H ASN 113 -14.553 8.489 13.985 876 HA ASN 113 HA ASN 113 -16.421 10.594 13.579 877 HB2 ASN 113 2HB ASN 113 -13.420 10.463 13.574 878 HB3 ASN 113 1HB ASN 113 -14.329 11.945 13.343 879 HD21 ASN 113 1HD2 ASN 113 -15.444 12.799 15.097 880 HD22 ASN 113 2HD2 ASN 113 -15.130 12.339 16.719 881 H LEU 114 H LEU 114 -14.968 8.400 11.532 882 HA LEU 114 HA LEU 114 -14.983 10.221 9.250 883 HB2 LEU 114 2HB LEU 114 -12.998 8.634 9.964 884 HB3 LEU 114 1HB LEU 114 -13.985 7.371 9.278 885 HG LEU 114 HG LEU 114 -12.241 8.073 7.729 886 HD11 LEU 114 1HD1 LEU 114 -13.560 8.553 5.771 887 HD12 LEU 114 2HD1 LEU 114 -14.944 8.934 6.799 888 HD13 LEU 114 3HD1 LEU 114 -14.291 7.296 6.768 889 HD21 LEU 114 3HD2 LEU 114 -13.525 10.791 7.799 890 HD22 LEU 114 1HD2 LEU 114 -12.223 10.279 6.734 891 HD23 LEU 114 2HD2 LEU 114 -11.945 10.370 8.476 892 H HIS 115 H HIS 115 -16.550 9.843 7.634 893 HA HIS 115 HA HIS 115 -18.704 8.134 8.550 894 HB2 HIS 115 2HB HIS 115 -18.675 10.414 6.582 895 HB3 HIS 115 1HB HIS 115 -20.090 9.419 6.907 896 HD1 HIS 115 1HD HIS 115 -19.336 12.639 7.666 897 HD2 HIS 115 2HD HIS 115 -19.995 9.351 10.125 898 HE1 HIS 115 1HE HIS 115 -20.037 13.556 9.896 899 H THR 116 H THR 116 -20.125 7.276 6.748 900 HA THR 116 HA THR 116 -18.606 5.284 5.433 901 HB THR 116 HB THR 116 -21.553 5.937 5.267 902 HG1 THR 116 1HG THR 116 -20.839 5.458 7.385 903 HG21 THR 116 3HG2 THR 116 -20.027 3.414 4.579 904 HG22 THR 116 1HG2 THR 116 -20.822 4.493 3.435 905 HG23 THR 116 2HG2 THR 116 -21.785 3.567 4.592 906 H GLY 117 H GLY 117 -17.867 5.266 3.481 907 HA2 GLY 117 2HA GLY 117 -17.802 5.612 1.186 908 HA3 GLY 117 1HA GLY 117 -19.094 6.798 1.331 909 H GLN 118 H GLN 118 -16.297 6.841 3.413 910 HA GLN 118 HA GLN 118 -15.151 8.957 1.861 911 HB2 GLN 118 2HB GLN 118 -16.706 9.954 3.559 912 HB3 GLN 118 1HB GLN 118 -15.817 9.102 4.799 913 HG2 GLN 118 2HG GLN 118 -13.840 10.329 4.347 914 HG3 GLN 118 1HG GLN 118 -14.608 11.066 2.942 915 HE21 GLN 118 1HE2 GLN 118 -17.148 11.526 4.295 916 HE22 GLN 118 2HE2 GLN 118 -16.873 12.827 5.378 917 H PHE 119 H PHE 119 -12.912 9.170 2.347 918 HA PHE 119 HA PHE 119 -11.699 7.383 4.252 919 HB2 PHE 119 2HB PHE 119 -10.294 6.255 2.648 920 HB3 PHE 119 1HB PHE 119 -11.960 6.042 2.110 921 HD1 PHE 119 1HD PHE 119 -12.774 7.515 0.210 922 HD2 PHE 119 2HD PHE 119 -8.690 7.176 1.319 923 HE1 PHE 119 1HE PHE 119 -12.108 8.403 -1.981 924 HE2 PHE 119 2HE PHE 119 -8.012 8.045 -0.827 925 HZ PHE 119 HZ PHE 119 -9.709 8.673 -2.509 926 H ARG 120 H ARG 120 -9.604 8.141 4.723 927 HA ARG 120 HA ARG 120 -8.577 10.310 3.121 928 HB2 ARG 120 2HB ARG 120 -9.447 10.597 5.944 929 HB3 ARG 120 1HB ARG 120 -7.885 11.290 5.542 930 HG2 ARG 120 2HG ARG 120 -10.465 11.934 4.113 931 HG3 ARG 120 1HG ARG 120 -9.747 12.915 5.393 932 HD2 ARG 120 2HD ARG 120 -8.490 12.289 2.698 933 HD3 ARG 120 1HD ARG 120 -9.153 13.838 3.216 934 HE ARG 120 HE ARG 120 -7.347 13.404 5.109 935 HH11 ARG 120 1HH1 ARG 120 -6.960 13.427 1.538 936 HH12 ARG 120 2HH1 ARG 120 -5.260 13.633 1.644 937 HH21 ARG 120 1HH2 ARG 120 -5.093 13.742 5.146 938 HH22 ARG 120 2HH2 ARG 120 -4.184 13.817 3.687 939 H ALA 121 H ALA 121 -6.513 10.175 2.816 940 HA ALA 121 HA ALA 121 -4.999 8.304 4.472 941 HB1 ALA 121 1HB ALA 121 -5.401 7.364 2.241 942 HB2 ALA 121 2HB ALA 121 -3.703 7.809 2.436 943 HB3 ALA 121 3HB ALA 121 -4.784 8.844 1.505 944 H ARG 122 H ARG 122 -3.425 9.385 5.550 945 HA ARG 122 HA ARG 122 -2.409 11.769 4.331 946 HB2 ARG 122 2HB ARG 122 -3.635 12.581 6.105 947 HB3 ARG 122 1HB ARG 122 -3.393 11.152 7.074 948 HG2 ARG 122 2HG ARG 122 -2.350 13.298 7.868 949 HG3 ARG 122 1HG ARG 122 -1.308 11.883 7.830 950 HD2 ARG 122 2HD ARG 122 -0.238 13.895 7.104 951 HD3 ARG 122 1HD ARG 122 -0.238 12.681 5.859 952 HE ARG 122 HE ARG 122 -2.043 13.929 4.738 953 HH11 ARG 122 1HH1 ARG 122 -0.103 15.791 7.045 954 HH12 ARG 122 2HH1 ARG 122 -0.312 17.245 6.192 955 HH21 ARG 122 1HH2 ARG 122 -2.245 15.782 3.614 956 HH22 ARG 122 2HH2 ARG 122 -1.577 17.263 4.143 957 H GLY 123 H GLY 123 -0.441 11.556 3.812 958 HA2 GLY 123 2HA GLY 123 1.204 9.543 5.166 959 HA3 GLY 123 1HA GLY 123 1.412 10.026 3.482 960 H THR 124 H THR 124 3.073 10.142 6.013 961 HA THR 124 HA THR 124 4.097 12.789 5.450 962 HB THR 124 HB THR 124 2.580 13.110 7.401 963 HG1 THR 124 1HG THR 124 4.715 13.457 8.898 964 HG21 THR 124 3HG2 THR 124 3.126 12.053 9.574 965 HG22 THR 124 1HG2 THR 124 4.357 11.078 8.770 966 HG23 THR 124 2HG2 THR 124 2.654 10.861 8.361 967 H VAL 125 H VAL 125 6.297 12.989 6.388 968 HA VAL 125 HA VAL 125 7.686 10.461 6.220 969 HB VAL 125 HB VAL 125 8.809 13.241 6.713 970 HG11 VAL 125 1HG1 VAL 125 10.293 11.473 7.467 971 HG12 VAL 125 2HG1 VAL 125 10.958 12.247 6.023 972 HG13 VAL 125 3HG1 VAL 125 10.164 10.673 5.904 973 HG21 VAL 125 3HG2 VAL 125 9.437 13.246 4.344 974 HG22 VAL 125 1HG2 VAL 125 7.688 13.116 4.537 975 HG23 VAL 125 2HG2 VAL 125 8.636 11.686 4.129 976 H ASN 126 H ASN 126 7.505 9.316 8.002 977 HA ASN 126 HA ASN 126 7.864 10.701 10.542 978 HB2 ASN 126 2HB ASN 126 5.551 9.919 10.353 979 HB3 ASN 126 1HB ASN 126 6.112 8.289 9.989 980 HD21 ASN 126 1HD2 ASN 126 4.945 7.525 11.807 981 HD22 ASN 126 2HD2 ASN 126 5.557 7.752 13.404 982 HA PRO 127 HA PRO 127 11.207 7.713 10.560 983 HB2 PRO 127 2HB PRO 127 12.872 9.128 12.123 984 HB3 PRO 127 1HB PRO 127 12.644 9.534 10.419 985 HG2 PRO 127 2HG PRO 127 11.515 10.839 12.847 986 HG3 PRO 127 1HG PRO 127 12.077 11.580 11.339 987 HD2 PRO 127 2HD PRO 127 9.428 11.076 12.000 988 HD3 PRO 127 1HD PRO 127 10.036 11.350 10.356 989 H ASP 128 H ASP 128 9.142 8.947 12.927 990 HA ASP 128 HA ASP 128 10.321 7.571 15.171 991 HB2 ASP 128 2HB ASP 128 7.764 9.170 14.966 992 HB3 ASP 128 1HB ASP 128 8.370 8.458 16.457 993 H VAL 129 H VAL 129 9.133 6.272 12.757 994 HA VAL 129 HA VAL 129 7.613 4.328 14.271 995 HB VAL 129 HB VAL 129 6.031 5.292 12.646 996 HG11 VAL 129 1HG1 VAL 129 6.316 5.084 10.229 997 HG12 VAL 129 2HG1 VAL 129 7.954 4.485 10.483 998 HG13 VAL 129 3HG1 VAL 129 7.537 6.131 10.956 999 HG21 VAL 129 3HG2 VAL 129 5.332 3.252 11.460 1000 HG22 VAL 129 1HG2 VAL 129 5.768 2.943 13.140 1001 HG23 VAL 129 2HG2 VAL 129 6.888 2.518 11.849 1002 H GLU 130 H GLU 130 8.997 2.913 14.763 1003 HA GLU 130 HA GLU 130 11.297 2.505 13.161 1004 HB2 GLU 130 2HB GLU 130 10.395 1.210 15.704 1005 HB3 GLU 130 1HB GLU 130 11.970 0.938 14.948 1006 HG2 GLU 130 2HG GLU 130 12.396 3.368 15.107 1007 HG3 GLU 130 1HG GLU 130 10.882 3.538 15.983 1008 H THR 131 H THR 131 11.532 1.206 11.676 1009 HA THR 131 HA THR 131 9.674 -0.993 11.415 1010 HB THR 131 HB THR 131 10.230 -0.512 8.850 1011 HG1 THR 131 1HG THR 131 10.412 2.028 10.130 1012 HG21 THR 131 3HG2 THR 131 7.975 -0.493 9.865 1013 HG22 THR 131 1HG2 THR 131 8.183 0.853 8.743 1014 HG23 THR 131 2HG2 THR 131 8.280 1.135 10.479 1015 H HIS 132 H HIS 132 11.022 -2.442 12.369 1016 HA HIS 132 HA HIS 132 13.630 -2.889 11.155 1017 HB2 HIS 132 2HB HIS 132 13.647 -2.270 13.550 1018 HB3 HIS 132 1HB HIS 132 12.573 -3.610 13.901 1019 HD1 HIS 132 1HD HIS 132 16.075 -3.189 12.366 1020 HD2 HIS 132 2HD HIS 132 13.895 -5.729 14.827 1021 HE1 HIS 132 1HE HIS 132 17.687 -4.940 13.174 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -7.115 6.175 13.366 2 H2 MET 1 2HT MET 1 -6.430 4.851 14.160 3 H3 MET 1 3HT MET 1 -5.552 5.612 12.946 4 HA MET 1 HA MET 1 -4.750 6.182 15.121 5 HB2 MET 1 2HB MET 1 -6.385 8.473 13.972 6 HB3 MET 1 1HB MET 1 -5.080 8.652 15.117 7 HG2 MET 1 2HG MET 1 -3.520 7.719 13.428 8 HG3 MET 1 1HG MET 1 -4.860 7.661 12.287 9 HE1 MET 1 2HE MET 1 -3.050 11.557 14.006 10 HE2 MET 1 3HE MET 1 -2.465 9.940 14.386 11 HE3 MET 1 1HE MET 1 -4.034 10.473 14.989 12 H GLY 2 H GLY 2 -5.188 6.573 17.281 13 HA2 GLY 2 2HA GLY 2 -6.441 6.752 19.195 14 HA3 GLY 2 1HA GLY 2 -7.775 7.344 18.214 15 H SER 3 H SER 3 -6.048 4.307 17.899 16 HA SER 3 HA SER 3 -8.167 2.769 19.016 17 HB2 SER 3 2HB SER 3 -9.105 3.252 16.786 18 HB3 SER 3 1HB SER 3 -7.634 2.663 16.024 19 HG SER 3 HG SER 3 -9.593 1.212 16.291 20 H GLN 4 H GLN 4 -7.583 0.513 19.001 21 HA GLN 4 HA GLN 4 -4.845 0.105 19.665 22 HB2 GLN 4 2HB GLN 4 -7.104 -1.864 19.346 23 HB3 GLN 4 1HB GLN 4 -5.507 -2.280 19.942 24 HG2 GLN 4 2HG GLN 4 -5.829 -0.796 21.844 25 HG3 GLN 4 1HG GLN 4 -7.425 -0.358 21.235 26 HE21 GLN 4 1HE2 GLN 4 -5.507 -2.905 22.632 27 HE22 GLN 4 2HE2 GLN 4 -6.805 -3.913 23.116 28 H LYS 5 H LYS 5 -3.225 -0.780 18.525 29 HA LYS 5 HA LYS 5 -3.800 -1.719 15.829 30 HB2 LYS 5 2HB LYS 5 -1.115 -1.326 17.194 31 HB3 LYS 5 1HB LYS 5 -1.348 -1.770 15.510 32 HG2 LYS 5 2HG LYS 5 -2.077 0.845 16.823 33 HG3 LYS 5 1HG LYS 5 -0.786 0.564 15.660 34 HD2 LYS 5 2HD LYS 5 -3.741 0.227 15.086 35 HD3 LYS 5 1HD LYS 5 -2.796 1.644 14.689 36 HE2 LYS 5 2HE LYS 5 -1.397 0.330 13.176 37 HE3 LYS 5 1HE LYS 5 -2.279 -1.133 13.615 38 HZ1 LYS 5 3HZ LYS 5 -3.484 1.248 12.256 39 HZ2 LYS 5 1HZ LYS 5 -4.281 -0.171 12.679 40 HZ3 LYS 5 2HZ LYS 5 -3.077 -0.203 11.510 41 H ARG 6 H ARG 6 -4.044 -3.779 15.439 42 HA ARG 6 HA ARG 6 -3.936 -5.592 17.645 43 HB2 ARG 6 2HB ARG 6 -4.462 -6.229 14.742 44 HB3 ARG 6 1HB ARG 6 -4.841 -7.240 16.117 45 HG2 ARG 6 2HG ARG 6 -6.484 -5.530 16.870 46 HG3 ARG 6 1HG ARG 6 -6.147 -4.622 15.394 47 HD2 ARG 6 2HD ARG 6 -6.789 -6.649 14.080 48 HD3 ARG 6 1HD ARG 6 -7.264 -7.412 15.589 49 HE ARG 6 HE ARG 6 -8.519 -4.876 15.084 50 HH11 ARG 6 1HH1 ARG 6 -8.796 -8.389 14.678 51 HH12 ARG 6 2HH1 ARG 6 -10.468 -8.349 14.360 52 HH21 ARG 6 1HH2 ARG 6 -10.817 -4.853 14.612 53 HH22 ARG 6 2HH2 ARG 6 -11.627 -6.329 14.306 54 H LEU 7 H LEU 7 -1.990 -6.289 18.244 55 HA LEU 7 HA LEU 7 0.008 -6.774 16.208 56 HB2 LEU 7 2HB LEU 7 0.232 -6.969 19.210 57 HB3 LEU 7 1HB LEU 7 1.548 -7.235 18.090 58 HG LEU 7 HG LEU 7 0.113 -4.637 18.597 59 HD11 LEU 7 1HD1 LEU 7 2.275 -3.915 19.466 60 HD12 LEU 7 2HD1 LEU 7 2.932 -5.524 19.167 61 HD13 LEU 7 3HD1 LEU 7 1.650 -5.304 20.356 62 HD21 LEU 7 3HD2 LEU 7 0.724 -4.807 16.234 63 HD22 LEU 7 1HD2 LEU 7 2.373 -5.247 16.684 64 HD23 LEU 7 2HD2 LEU 7 1.752 -3.643 17.061 65 H VAL 8 H VAL 8 -0.938 -8.468 15.206 66 HA VAL 8 HA VAL 8 -0.552 -10.980 16.591 67 HB VAL 8 HB VAL 8 -2.969 -10.599 16.685 68 HG11 VAL 8 1HG1 VAL 8 -3.255 -9.027 14.879 69 HG12 VAL 8 2HG1 VAL 8 -4.361 -10.387 14.695 70 HG13 VAL 8 3HG1 VAL 8 -2.910 -10.289 13.697 71 HG21 VAL 8 3HG2 VAL 8 -3.777 -12.607 15.507 72 HG22 VAL 8 1HG2 VAL 8 -2.257 -12.894 16.354 73 HG23 VAL 8 2HG2 VAL 8 -2.262 -12.668 14.606 74 H GLN 9 H GLN 9 0.817 -12.154 15.507 75 HA GLN 9 HA GLN 9 1.336 -11.493 12.744 76 HB2 GLN 9 2HB GLN 9 2.727 -13.420 14.611 77 HB3 GLN 9 1HB GLN 9 3.226 -13.095 12.959 78 HG2 GLN 9 2HG GLN 9 3.122 -11.069 15.182 79 HG3 GLN 9 1HG GLN 9 4.575 -11.871 14.598 80 HE21 GLN 9 1HE2 GLN 9 5.384 -11.324 12.578 81 HE22 GLN 9 2HE2 GLN 9 4.940 -9.861 11.777 82 H ARG 10 H ARG 10 -0.242 -12.269 11.536 83 HA ARG 10 HA ARG 10 -1.196 -14.996 11.919 84 HB2 ARG 10 2HB ARG 10 -1.923 -13.210 9.614 85 HB3 ARG 10 1HB ARG 10 -2.852 -14.517 10.317 86 HG2 ARG 10 2HG ARG 10 -3.313 -13.121 12.272 87 HG3 ARG 10 1HG ARG 10 -2.373 -11.812 11.557 88 HD2 ARG 10 2HD ARG 10 -4.995 -12.959 10.660 89 HD3 ARG 10 1HD ARG 10 -4.565 -11.273 10.962 90 HE ARG 10 HE ARG 10 -3.587 -12.842 8.662 91 HH11 ARG 10 1HH1 ARG 10 -4.464 -9.623 9.946 92 HH12 ARG 10 2HH1 ARG 10 -4.573 -8.993 8.354 93 HH21 ARG 10 1HH2 ARG 10 -3.696 -11.852 6.627 94 HH22 ARG 10 2HH2 ARG 10 -4.161 -10.174 6.538 95 H VAL 11 H VAL 11 0.526 -16.266 11.294 96 HA VAL 11 HA VAL 11 1.942 -15.670 8.880 97 HB VAL 11 HB VAL 11 2.075 -18.205 10.549 98 HG11 VAL 11 1HG1 VAL 11 4.011 -17.066 8.534 99 HG12 VAL 11 2HG1 VAL 11 2.972 -18.469 8.297 100 HG13 VAL 11 3HG1 VAL 11 4.264 -18.520 9.497 101 HG21 VAL 11 3HG2 VAL 11 2.646 -16.270 11.930 102 HG22 VAL 11 1HG2 VAL 11 3.806 -15.732 10.716 103 HG23 VAL 11 2HG2 VAL 11 4.082 -17.237 11.595 104 H GLU 12 H GLU 12 0.507 -15.724 7.312 105 HA GLU 12 HA GLU 12 -1.240 -17.992 6.993 106 HB2 GLU 12 2HB GLU 12 -0.924 -15.469 5.374 107 HB3 GLU 12 1HB GLU 12 -2.116 -16.723 5.049 108 HG2 GLU 12 2HG GLU 12 -3.120 -16.362 7.231 109 HG3 GLU 12 1HG GLU 12 -1.912 -15.134 7.595 110 H ARG 13 H ARG 13 -0.647 -19.661 6.013 111 HA ARG 13 HA ARG 13 1.840 -19.877 4.718 112 HB2 ARG 13 2HB ARG 13 -0.440 -21.804 5.055 113 HB3 ARG 13 1HB ARG 13 1.069 -22.235 4.251 114 HG2 ARG 13 2HG ARG 13 2.328 -21.877 6.222 115 HG3 ARG 13 1HG ARG 13 0.964 -21.107 7.028 116 HD2 ARG 13 2HD ARG 13 1.008 -23.985 6.141 117 HD3 ARG 13 1HD ARG 13 1.414 -23.443 7.770 118 HE ARG 13 HE ARG 13 -1.103 -22.454 6.948 119 HH11 ARG 13 1HH1 ARG 13 0.464 -25.389 8.139 120 HH12 ARG 13 2HH1 ARG 13 -0.938 -25.999 8.889 121 HH21 ARG 13 1HH2 ARG 13 -3.009 -23.273 7.963 122 HH22 ARG 13 2HH2 ARG 13 -2.973 -24.753 8.798 123 H LYS 14 H LYS 14 -1.426 -19.497 3.507 124 HA LYS 14 HA LYS 14 -0.243 -19.621 0.880 125 HB2 LYS 14 2HB LYS 14 -2.262 -20.926 0.958 126 HB3 LYS 14 1HB LYS 14 -3.178 -19.561 1.581 127 HG2 LYS 14 2HG LYS 14 -3.021 -18.385 -0.490 128 HG3 LYS 14 1HG LYS 14 -1.842 -19.530 -1.120 129 HD2 LYS 14 2HD LYS 14 -4.635 -20.335 -0.355 130 HD3 LYS 14 1HD LYS 14 -4.226 -19.753 -1.971 131 HE2 LYS 14 2HE LYS 14 -2.889 -22.100 -0.620 132 HE3 LYS 14 1HE LYS 14 -4.233 -22.252 -1.743 133 HZ1 LYS 14 3HZ LYS 14 -2.091 -22.606 -2.825 134 HZ2 LYS 14 1HZ LYS 14 -1.570 -21.044 -2.485 135 HZ3 LYS 14 2HZ LYS 14 -2.880 -21.330 -3.492 136 H LEU 15 H LEU 15 0.818 -17.919 0.609 137 HA LEU 15 HA LEU 15 -0.603 -15.491 0.050 138 HB2 LEU 15 2HB LEU 15 0.301 -15.469 2.524 139 HB3 LEU 15 1HB LEU 15 1.881 -15.370 1.787 140 HG LEU 15 HG LEU 15 -0.319 -13.313 1.454 141 HD11 LEU 15 1HD1 LEU 15 0.480 -13.360 3.733 142 HD12 LEU 15 2HD1 LEU 15 1.034 -11.901 2.913 143 HD13 LEU 15 3HD1 LEU 15 2.147 -13.240 3.177 144 HD21 LEU 15 3HD2 LEU 15 1.432 -11.881 0.514 145 HD22 LEU 15 1HD2 LEU 15 1.226 -13.344 -0.448 146 HD23 LEU 15 2HD2 LEU 15 2.596 -13.201 0.654 147 H GLU 16 H GLU 16 -0.088 -15.609 -2.017 148 HA GLU 16 HA GLU 16 2.681 -15.971 -2.804 149 HB2 GLU 16 2HB GLU 16 1.831 -17.567 -4.573 150 HB3 GLU 16 1HB GLU 16 1.840 -18.186 -2.929 151 HG2 GLU 16 2HG GLU 16 -0.595 -17.522 -2.796 152 HG3 GLU 16 1HG GLU 16 -0.521 -17.229 -4.531 153 H GLN 17 H GLN 17 2.935 -15.424 -5.115 154 HA GLN 17 HA GLN 17 1.502 -12.993 -5.625 155 HB2 GLN 17 2HB GLN 17 3.704 -14.293 -7.197 156 HB3 GLN 17 1HB GLN 17 3.021 -12.716 -7.543 157 HG2 GLN 17 2HG GLN 17 3.806 -11.920 -5.354 158 HG3 GLN 17 1HG GLN 17 4.534 -13.501 -5.063 159 HE21 GLN 17 1HE2 GLN 17 4.705 -10.568 -6.903 160 HE22 GLN 17 2HE2 GLN 17 6.298 -10.815 -7.511 161 H THR 18 H THR 18 -0.537 -14.189 -5.920 162 HA THR 18 HA THR 18 -0.830 -15.160 -8.609 163 HB THR 18 HB THR 18 -2.879 -14.621 -6.503 164 HG1 THR 18 1HG THR 18 -1.223 -16.851 -7.089 165 HG21 THR 18 3HG2 THR 18 -2.932 -16.372 -8.955 166 HG22 THR 18 1HG2 THR 18 -3.774 -14.835 -8.742 167 HG23 THR 18 2HG2 THR 18 -4.243 -16.240 -7.772 168 H VAL 19 H VAL 19 -0.692 -13.581 -9.915 169 HA VAL 19 HA VAL 19 -1.430 -10.911 -9.250 170 HB VAL 19 HB VAL 19 -0.608 -10.354 -11.579 171 HG11 VAL 19 1HG1 VAL 19 1.747 -10.738 -11.053 172 HG12 VAL 19 2HG1 VAL 19 1.284 -11.898 -9.807 173 HG13 VAL 19 3HG1 VAL 19 0.857 -10.194 -9.630 174 HG21 VAL 19 3HG2 VAL 19 0.181 -13.270 -11.594 175 HG22 VAL 19 1HG2 VAL 19 0.644 -12.067 -12.797 176 HG23 VAL 19 2HG2 VAL 19 -1.051 -12.533 -12.614 177 H GLY 20 H GLY 20 -3.073 -9.735 -10.095 178 HA2 GLY 20 2HA GLY 20 -4.700 -10.130 -12.095 179 HA3 GLY 20 1HA GLY 20 -5.310 -11.252 -10.873 180 H ASP 21 H ASP 21 -6.597 -9.061 -11.790 181 HA ASP 21 HA ASP 21 -6.472 -6.942 -9.885 182 HB2 ASP 21 2HB ASP 21 -8.562 -6.038 -10.931 183 HB3 ASP 21 1HB ASP 21 -7.295 -6.375 -12.096 184 H ALA 22 H ALA 22 -6.482 -8.246 -8.073 185 HA ALA 22 HA ALA 22 -8.591 -9.871 -7.201 186 HB1 ALA 22 1HB ALA 22 -6.558 -8.444 -5.513 187 HB2 ALA 22 2HB ALA 22 -6.335 -10.020 -6.283 188 HB3 ALA 22 3HB ALA 22 -7.546 -9.816 -5.019 189 H PHE 23 H PHE 23 -7.935 -6.507 -6.514 190 HA PHE 23 HA PHE 23 -9.950 -6.234 -4.568 191 HB2 PHE 23 2HB PHE 23 -8.542 -4.334 -6.339 192 HB3 PHE 23 1HB PHE 23 -9.671 -3.748 -5.098 193 HD1 PHE 23 1HD PHE 23 -9.079 -4.153 -2.695 194 HD2 PHE 23 2HD PHE 23 -6.331 -4.981 -5.838 195 HE1 PHE 23 1HE PHE 23 -7.233 -4.204 -1.065 196 HE2 PHE 23 2HE PHE 23 -4.485 -5.030 -4.219 197 HZ PHE 23 HZ PHE 23 -4.932 -4.641 -1.829 198 H ALA 24 H ALA 24 -9.954 -5.918 -8.042 199 HA ALA 24 HA ALA 24 -12.527 -4.735 -8.221 200 HB1 ALA 24 1HB ALA 24 -11.003 -6.265 -10.332 201 HB2 ALA 24 2HB ALA 24 -10.853 -4.538 -10.010 202 HB3 ALA 24 3HB ALA 24 -12.376 -5.194 -10.602 203 H ARG 25 H ARG 25 -11.351 -8.059 -8.213 204 HA ARG 25 HA ARG 25 -13.904 -9.181 -8.895 205 HB2 ARG 25 2HB ARG 25 -11.539 -10.566 -7.623 206 HB3 ARG 25 1HB ARG 25 -12.881 -11.322 -8.470 207 HG2 ARG 25 2HG ARG 25 -10.811 -9.516 -9.688 208 HG3 ARG 25 1HG ARG 25 -10.879 -11.268 -9.839 209 HD2 ARG 25 2HD ARG 25 -12.854 -11.163 -11.147 210 HD3 ARG 25 1HD ARG 25 -13.112 -9.462 -10.746 211 HE ARG 25 HE ARG 25 -10.941 -9.078 -11.909 212 HH11 ARG 25 1HH1 ARG 25 -13.191 -11.606 -12.965 213 HH12 ARG 25 2HH1 ARG 25 -12.543 -11.673 -14.541 214 HH21 ARG 25 1HH2 ARG 25 -10.090 -9.195 -13.961 215 HH22 ARG 25 2HH2 ARG 25 -10.740 -10.245 -15.158 216 H ILE 26 H ILE 26 -12.419 -8.108 -6.025 217 HA ILE 26 HA ILE 26 -14.218 -9.615 -4.328 218 HB ILE 26 HB ILE 26 -12.156 -7.510 -3.592 219 HG12 ILE 26 2HG1 ILE 26 -12.106 -10.521 -3.245 220 HG13 ILE 26 1HG1 ILE 26 -11.235 -9.638 -4.490 221 HG21 ILE 26 1HG2 ILE 26 -13.795 -9.313 -1.797 222 HG22 ILE 26 2HG2 ILE 26 -13.960 -7.565 -1.943 223 HG23 ILE 26 3HG2 ILE 26 -12.480 -8.259 -1.271 224 HD11 ILE 26 3HD1 ILE 26 -9.775 -10.274 -2.653 225 HD12 ILE 26 1HD1 ILE 26 -10.800 -9.398 -1.517 226 HD13 ILE 26 2HD1 ILE 26 -9.915 -8.519 -2.764 227 H PHE 27 H PHE 27 -13.583 -6.145 -4.891 228 HA PHE 27 HA PHE 27 -16.009 -5.521 -3.461 229 HB2 PHE 27 2HB PHE 27 -13.886 -3.748 -4.653 230 HB3 PHE 27 1HB PHE 27 -15.258 -3.156 -3.726 231 HD1 PHE 27 2HD PHE 27 -15.546 -4.060 -1.350 232 HD2 PHE 27 1HD PHE 27 -11.929 -4.410 -3.570 233 HE1 PHE 27 2HE PHE 27 -14.305 -4.449 0.738 234 HE2 PHE 27 1HE PHE 27 -10.686 -4.807 -1.482 235 HZ PHE 27 HZ PHE 27 -11.871 -4.825 0.669 236 H GLY 28 H GLY 28 -14.977 -5.603 -6.790 237 HA2 GLY 28 2HA GLY 28 -16.196 -5.508 -8.676 238 HA3 GLY 28 1HA GLY 28 -17.648 -5.385 -7.689 239 H GLY 29 H GLY 29 -18.518 -3.529 -7.359 240 HA2 GLY 29 2HA GLY 29 -17.319 -1.179 -8.694 241 HA3 GLY 29 1HA GLY 29 -19.047 -1.511 -8.710 242 H SER 30 H SER 30 -17.043 -1.982 -5.954 243 HA SER 30 HA SER 30 -18.412 0.212 -4.579 244 HB2 SER 30 2HB SER 30 -18.591 -2.112 -3.596 245 HB3 SER 30 1HB SER 30 -16.842 -2.142 -3.429 246 HG SER 30 HG SER 30 -18.682 -0.421 -2.135 247 H ILE 31 H ILE 31 -16.173 0.173 -2.573 248 HA ILE 31 HA ILE 31 -14.631 2.145 -3.744 249 HB ILE 31 HB ILE 31 -13.008 1.830 -1.749 250 HG12 ILE 31 2HG1 ILE 31 -14.215 0.741 0.258 251 HG13 ILE 31 1HG1 ILE 31 -15.232 -0.060 -0.925 252 HG21 ILE 31 1HG2 ILE 31 -14.545 2.987 -0.235 253 HG22 ILE 31 2HG2 ILE 31 -15.878 2.581 -1.317 254 HG23 ILE 31 3HG2 ILE 31 -14.571 3.624 -1.879 255 HD11 ILE 31 3HD1 ILE 31 -13.476 -1.520 -0.131 256 HD12 ILE 31 1HD1 ILE 31 -12.252 -0.361 -0.647 257 HD13 ILE 31 2HD1 ILE 31 -13.264 -1.171 -1.843 258 H VAL 32 H VAL 32 -13.130 2.247 -5.034 259 HA VAL 32 HA VAL 32 -11.722 -0.187 -5.776 260 HB VAL 32 HB VAL 32 -13.215 0.827 -7.479 261 HG11 VAL 32 1HG1 VAL 32 -13.070 3.145 -6.949 262 HG12 VAL 32 2HG1 VAL 32 -12.610 2.893 -8.633 263 HG13 VAL 32 3HG1 VAL 32 -11.368 3.185 -7.416 264 HG21 VAL 32 3HG2 VAL 32 -11.378 -0.512 -8.281 265 HG22 VAL 32 1HG2 VAL 32 -10.299 0.879 -8.238 266 HG23 VAL 32 2HG2 VAL 32 -11.644 0.843 -9.376 267 HA PRO 33 HA PRO 33 -7.978 1.436 -4.048 268 HB2 PRO 33 2HB PRO 33 -6.195 0.267 -5.828 269 HB3 PRO 33 1HB PRO 33 -6.861 -0.501 -4.386 270 HG2 PRO 33 2HG PRO 33 -7.747 -0.717 -7.228 271 HG3 PRO 33 1HG PRO 33 -7.637 -1.984 -5.989 272 HD2 PRO 33 2HD PRO 33 -9.981 -0.934 -6.652 273 HD3 PRO 33 1HD PRO 33 -9.608 -1.302 -4.952 274 H GLN 34 H GLN 34 -8.674 1.995 -7.418 275 HA GLN 34 HA GLN 34 -6.418 3.508 -8.105 276 HB2 GLN 34 2HB GLN 34 -9.173 3.417 -9.269 277 HB3 GLN 34 1HB GLN 34 -8.003 4.585 -9.858 278 HG2 GLN 34 2HG GLN 34 -8.096 2.560 -11.246 279 HG3 GLN 34 1HG GLN 34 -6.509 2.811 -10.533 280 HE21 GLN 34 1HE2 GLN 34 -5.774 1.361 -8.942 281 HE22 GLN 34 2HE2 GLN 34 -6.543 -0.168 -8.744 282 H GLU 35 H GLU 35 -9.421 4.608 -6.626 283 HA GLU 35 HA GLU 35 -8.606 7.344 -6.776 284 HB2 GLU 35 2HB GLU 35 -10.785 6.029 -5.144 285 HB3 GLU 35 1HB GLU 35 -10.517 7.766 -5.215 286 HG2 GLU 35 2HG GLU 35 -10.902 7.708 -7.640 287 HG3 GLU 35 1HG GLU 35 -11.224 5.979 -7.527 288 H VAL 36 H VAL 36 -8.152 4.754 -4.575 289 HA VAL 36 HA VAL 36 -7.287 6.360 -2.381 290 HB VAL 36 HB VAL 36 -6.619 3.439 -2.908 291 HG11 VAL 36 1HG1 VAL 36 -6.341 3.287 -0.484 292 HG12 VAL 36 2HG1 VAL 36 -6.711 5.005 -0.335 293 HG13 VAL 36 3HG1 VAL 36 -5.250 4.493 -1.174 294 HG21 VAL 36 3HG2 VAL 36 -8.981 4.600 -1.425 295 HG22 VAL 36 1HG2 VAL 36 -8.558 2.889 -1.499 296 HG23 VAL 36 2HG2 VAL 36 -9.037 3.743 -2.965 297 H GLU 37 H GLU 37 -5.694 4.561 -4.994 298 HA GLU 37 HA GLU 37 -3.027 5.143 -4.418 299 HB2 GLU 37 2HB GLU 37 -4.322 4.890 -7.145 300 HB3 GLU 37 1HB GLU 37 -2.595 4.853 -6.841 301 HG2 GLU 37 2HG GLU 37 -2.902 2.815 -5.506 302 HG3 GLU 37 1HG GLU 37 -4.623 2.853 -5.890 303 H ALA 38 H ALA 38 -5.416 6.924 -6.284 304 HA ALA 38 HA ALA 38 -3.865 9.030 -7.207 305 HB1 ALA 38 1HB ALA 38 -5.950 10.272 -7.439 306 HB2 ALA 38 2HB ALA 38 -6.762 9.120 -6.377 307 HB3 ALA 38 3HB ALA 38 -6.159 8.596 -7.949 308 H LEU 39 H LEU 39 -5.752 8.860 -4.195 309 HA LEU 39 HA LEU 39 -4.800 11.383 -3.345 310 HB2 LEU 39 2HB LEU 39 -6.390 9.248 -1.995 311 HB3 LEU 39 1HB LEU 39 -5.676 10.515 -1.024 312 HG LEU 39 HG LEU 39 -8.000 11.014 -1.508 313 HD11 LEU 39 1HD1 LEU 39 -7.762 13.260 -2.400 314 HD12 LEU 39 2HD1 LEU 39 -6.146 12.873 -2.978 315 HD13 LEU 39 3HD1 LEU 39 -6.486 12.879 -1.247 316 HD21 LEU 39 3HD2 LEU 39 -8.245 9.836 -3.646 317 HD22 LEU 39 1HD2 LEU 39 -7.211 11.032 -4.421 318 HD23 LEU 39 2HD2 LEU 39 -8.781 11.513 -3.780 319 H LEU 40 H LEU 40 -3.686 8.118 -2.695 320 HA LEU 40 HA LEU 40 -1.820 8.869 -0.721 321 HB2 LEU 40 2HB LEU 40 -1.973 6.498 -2.538 322 HB3 LEU 40 1HB LEU 40 -0.621 6.719 -1.444 323 HG LEU 40 HG LEU 40 -3.506 6.535 -0.560 324 HD11 LEU 40 1HD1 LEU 40 -1.302 4.481 -0.401 325 HD12 LEU 40 2HD1 LEU 40 -2.627 4.453 -1.556 326 HD13 LEU 40 3HD1 LEU 40 -2.963 4.304 0.172 327 HD21 LEU 40 3HD2 LEU 40 -2.147 7.804 0.993 328 HD22 LEU 40 1HD2 LEU 40 -0.890 6.571 0.928 329 HD23 LEU 40 2HD2 LEU 40 -2.433 6.197 1.661 330 H ARG 41 H ARG 41 -1.441 8.551 -4.221 331 HA ARG 41 HA ARG 41 1.314 9.297 -4.092 332 HB2 ARG 41 2HB ARG 41 1.227 9.580 -6.521 333 HB3 ARG 41 1HB ARG 41 0.474 8.067 -6.048 334 HG2 ARG 41 2HG ARG 41 -1.722 9.100 -6.307 335 HG3 ARG 41 1HG ARG 41 -0.948 10.609 -6.788 336 HD2 ARG 41 2HD ARG 41 0.022 9.534 -8.705 337 HD3 ARG 41 1HD ARG 41 -0.645 7.975 -8.210 338 HE ARG 41 HE ARG 41 -2.529 10.121 -8.568 339 HH11 ARG 41 1HH1 ARG 41 -0.873 7.449 -10.172 340 HH12 ARG 41 2HH1 ARG 41 -2.161 7.137 -11.256 341 HH21 ARG 41 1HH2 ARG 41 -4.238 9.737 -10.081 342 HH22 ARG 41 2HH2 ARG 41 -4.104 8.484 -11.228 343 H ARG 42 H ARG 42 -1.687 11.043 -4.230 344 HA ARG 42 HA ARG 42 -0.565 13.546 -4.903 345 HB2 ARG 42 2HB ARG 42 -3.040 12.923 -4.973 346 HB3 ARG 42 1HB ARG 42 -3.039 13.111 -3.225 347 HG2 ARG 42 2HG ARG 42 -2.317 15.449 -3.496 348 HG3 ARG 42 1HG ARG 42 -2.387 15.244 -5.243 349 HD2 ARG 42 2HD ARG 42 -4.782 14.654 -5.026 350 HD3 ARG 42 1HD ARG 42 -4.680 15.031 -3.306 351 HE ARG 42 HE ARG 42 -3.752 17.115 -5.021 352 HH11 ARG 42 1HH1 ARG 42 -6.559 15.841 -3.307 353 HH12 ARG 42 2HH1 ARG 42 -7.500 17.247 -3.499 354 HH21 ARG 42 1HH2 ARG 42 -5.014 19.067 -5.253 355 HH22 ARG 42 2HH2 ARG 42 -6.585 19.142 -4.621 356 H GLU 43 H GLU 43 -1.259 11.883 -1.851 357 HA GLU 43 HA GLU 43 -0.358 13.843 -0.072 358 HB2 GLU 43 2HB GLU 43 -0.439 10.841 0.086 359 HB3 GLU 43 1HB GLU 43 0.210 11.813 1.399 360 HG2 GLU 43 2HG GLU 43 -2.565 12.067 0.282 361 HG3 GLU 43 1HG GLU 43 -2.136 11.154 1.732 362 H ALA 44 H ALA 44 1.320 11.312 -1.779 363 HA ALA 44 HA ALA 44 3.852 11.713 -0.678 364 HB1 ALA 44 1HB ALA 44 3.251 9.720 -1.944 365 HB2 ALA 44 2HB ALA 44 4.697 10.482 -2.622 366 HB3 ALA 44 3HB ALA 44 3.127 10.689 -3.411 367 H ALA 45 H ALA 45 2.401 13.033 -3.638 368 HA ALA 45 HA ALA 45 4.622 14.621 -4.388 369 HB1 ALA 45 1HB ALA 45 1.709 14.985 -5.095 370 HB2 ALA 45 2HB ALA 45 2.853 13.962 -5.963 371 HB3 ALA 45 3HB ALA 45 3.079 15.710 -5.934 372 H ASP 46 H ASP 46 1.849 15.187 -2.381 373 HA ASP 46 HA ASP 46 2.139 17.992 -2.087 374 HB2 ASP 46 2HB ASP 46 0.005 16.864 -1.682 375 HB3 ASP 46 1HB ASP 46 0.721 15.959 -0.359 376 H GLY 47 H GLY 47 3.130 15.214 -0.164 377 HA2 GLY 47 2HA GLY 47 4.296 16.900 1.877 378 HA3 GLY 47 1HA GLY 47 4.185 15.149 1.890 379 H ILE 48 H ILE 48 5.438 16.617 -0.951 380 HA ILE 48 HA ILE 48 7.936 15.408 -0.745 381 HB ILE 48 HB ILE 48 6.804 17.543 -2.529 382 HG12 ILE 48 2HG1 ILE 48 6.113 15.282 -2.969 383 HG13 ILE 48 1HG1 ILE 48 7.155 15.837 -4.275 384 HG21 ILE 48 1HG2 ILE 48 9.635 16.563 -2.661 385 HG22 ILE 48 2HG2 ILE 48 9.098 18.191 -2.233 386 HG23 ILE 48 3HG2 ILE 48 8.829 17.574 -3.870 387 HD11 ILE 48 3HD1 ILE 48 7.899 13.943 -2.037 388 HD12 ILE 48 1HD1 ILE 48 9.033 14.597 -3.225 389 HD13 ILE 48 2HD1 ILE 48 7.700 13.581 -3.745 390 H GLN 49 H GLN 49 9.675 15.917 0.217 391 HA GLN 49 HA GLN 49 9.892 18.585 1.330 392 HB2 GLN 49 2HB GLN 49 10.365 15.930 2.631 393 HB3 GLN 49 1HB GLN 49 11.097 17.408 3.263 394 HG2 GLN 49 2HG GLN 49 9.025 18.377 3.682 395 HG3 GLN 49 1HG GLN 49 8.201 17.198 2.664 396 HE21 GLN 49 1HE2 GLN 49 7.625 15.279 3.489 397 HE22 GLN 49 2HE2 GLN 49 7.701 14.874 5.169 398 H SER 50 H SER 50 11.727 19.550 1.251 399 HA SER 50 HA SER 50 13.466 18.847 -0.807 400 HB2 SER 50 2HB SER 50 14.763 20.859 0.235 401 HB3 SER 50 1HB SER 50 13.184 21.129 -0.510 402 HG SER 50 HG SER 50 12.463 21.748 1.343 403 H LEU 51 H LEU 51 14.980 17.577 -0.883 404 HA LEU 51 HA LEU 51 16.739 17.079 1.348 405 HB2 LEU 51 2HB LEU 51 14.868 15.330 1.184 406 HB3 LEU 51 1HB LEU 51 15.499 14.913 -0.389 407 HG LEU 51 HG LEU 51 17.570 14.073 0.640 408 HD11 LEU 51 1HD1 LEU 51 16.276 14.857 3.250 409 HD12 LEU 51 2HD1 LEU 51 17.716 15.594 2.546 410 HD13 LEU 51 3HD1 LEU 51 17.754 13.916 3.074 411 HD21 LEU 51 3HD2 LEU 51 16.643 12.166 1.749 412 HD22 LEU 51 1HD2 LEU 51 15.623 12.598 0.383 413 HD23 LEU 51 2HD2 LEU 51 15.126 13.005 2.032 414 H GLN 52 H GLN 52 18.352 15.289 -0.121 415 HA GLN 52 HA GLN 52 19.889 16.856 -1.750 416 HB2 GLN 52 2HB GLN 52 19.522 13.863 -1.965 417 HB3 GLN 52 1HB GLN 52 20.885 14.780 -2.599 418 HG2 GLN 52 2HG GLN 52 21.470 15.470 -0.317 419 HG3 GLN 52 1HG GLN 52 20.129 14.517 0.305 420 HE21 GLN 52 1HE2 GLN 52 23.296 14.426 -1.057 421 HE22 GLN 52 2HE2 GLN 52 23.609 12.760 -0.709 422 H GLY 53 H GLY 53 20.118 17.214 -3.941 423 HA2 GLY 53 2HA GLY 53 17.680 17.770 -5.245 424 HA3 GLY 53 1HA GLY 53 19.287 17.982 -5.906 425 H ASN 54 H ASN 54 19.586 14.991 -5.302 426 HA ASN 54 HA ASN 54 18.861 14.171 -7.914 427 HB2 ASN 54 2HB ASN 54 20.078 12.687 -5.608 428 HB3 ASN 54 1HB ASN 54 19.564 11.831 -7.058 429 HD21 ASN 54 1HD2 ASN 54 20.702 12.076 -8.922 430 HD22 ASN 54 2HD2 ASN 54 22.214 12.892 -9.008 431 H ARG 55 H ARG 55 17.411 13.768 -4.745 432 HA ARG 55 HA ARG 55 14.984 13.017 -5.881 433 HB2 ARG 55 2HB ARG 55 14.782 10.735 -4.833 434 HB3 ARG 55 1HB ARG 55 15.915 10.828 -6.167 435 HG2 ARG 55 2HG ARG 55 17.703 11.100 -4.402 436 HG3 ARG 55 1HG ARG 55 16.455 10.597 -3.256 437 HD2 ARG 55 2HD ARG 55 17.493 9.020 -5.621 438 HD3 ARG 55 1HD ARG 55 17.778 8.664 -3.926 439 HE ARG 55 HE ARG 55 15.042 8.629 -4.989 440 HH11 ARG 55 1HH1 ARG 55 17.734 6.874 -3.464 441 HH12 ARG 55 2HH1 ARG 55 16.900 5.415 -3.314 442 HH21 ARG 55 1HH2 ARG 55 13.859 6.654 -4.743 443 HH22 ARG 55 2HH2 ARG 55 14.579 5.267 -4.055 444 H LEU 56 H LEU 56 13.365 13.393 -4.622 445 HA LEU 56 HA LEU 56 13.853 15.033 -2.206 446 HB2 LEU 56 2HB LEU 56 11.423 14.650 -3.934 447 HB3 LEU 56 1HB LEU 56 11.628 15.830 -2.648 448 HG LEU 56 HG LEU 56 13.239 15.778 -5.200 449 HD11 LEU 56 1HD1 LEU 56 10.923 16.316 -5.630 450 HD12 LEU 56 2HD1 LEU 56 11.952 17.740 -5.822 451 HD13 LEU 56 3HD1 LEU 56 10.963 17.554 -4.374 452 HD21 LEU 56 3HD2 LEU 56 13.087 17.816 -2.976 453 HD22 LEU 56 1HD2 LEU 56 13.978 18.006 -4.486 454 HD23 LEU 56 2HD2 LEU 56 14.459 16.767 -3.333 455 H LEU 57 H LEU 57 12.565 14.861 -0.370 456 HA LEU 57 HA LEU 57 12.273 12.130 0.400 457 HB2 LEU 57 2HB LEU 57 13.325 13.813 1.842 458 HB3 LEU 57 1HB LEU 57 11.837 14.718 1.874 459 HG LEU 57 HG LEU 57 10.737 12.868 3.083 460 HD11 LEU 57 1HD1 LEU 57 12.066 11.029 3.970 461 HD12 LEU 57 2HD1 LEU 57 13.488 11.632 3.117 462 HD13 LEU 57 3HD1 LEU 57 12.097 11.047 2.204 463 HD21 LEU 57 3HD2 LEU 57 11.933 13.182 5.199 464 HD22 LEU 57 1HD2 LEU 57 11.750 14.698 4.317 465 HD23 LEU 57 2HD2 LEU 57 13.302 13.856 4.319 466 H ALA 58 H ALA 58 10.472 11.072 0.381 467 HA ALA 58 HA ALA 58 7.934 12.489 0.161 468 HB1 ALA 58 1HB ALA 58 8.765 9.777 -0.909 469 HB2 ALA 58 2HB ALA 58 8.484 11.234 -1.863 470 HB3 ALA 58 3HB ALA 58 7.141 10.456 -1.029 471 HA PRO 59 HA PRO 59 6.655 10.572 3.987 472 HB2 PRO 59 2HB PRO 59 4.213 9.636 2.600 473 HB3 PRO 59 1HB PRO 59 4.371 10.651 4.039 474 HG2 PRO 59 2HG PRO 59 3.645 11.737 1.740 475 HG3 PRO 59 1HG PRO 59 4.802 12.569 2.796 476 HD2 PRO 59 2HD PRO 59 5.332 10.932 0.343 477 HD3 PRO 59 1HD PRO 59 6.013 12.510 0.814 478 H ASN 60 H ASN 60 6.393 8.620 5.055 479 HA ASN 60 HA ASN 60 6.512 6.167 3.430 480 HB2 ASN 60 2HB ASN 60 8.045 5.132 5.035 481 HB3 ASN 60 1HB ASN 60 8.756 6.594 4.381 482 HD21 ASN 60 1HD2 ASN 60 9.308 5.125 6.819 483 HD22 ASN 60 2HD2 ASN 60 9.168 6.252 8.121 484 H GLU 61 H GLU 61 5.299 7.814 6.219 485 HA GLU 61 HA GLU 61 3.789 5.459 6.968 486 HB2 GLU 61 2HB GLU 61 5.013 6.607 8.767 487 HB3 GLU 61 1HB GLU 61 4.199 8.112 8.377 488 HG2 GLU 61 2HG GLU 61 2.101 7.244 9.101 489 HG3 GLU 61 1HG GLU 61 2.779 5.630 9.290 490 H TYR 62 H TYR 62 1.978 5.258 5.903 491 HA TYR 62 HA TYR 62 0.436 7.660 5.201 492 HB2 TYR 62 2HB TYR 62 0.686 5.028 3.764 493 HB3 TYR 62 1HB TYR 62 -0.512 6.247 3.359 494 HD1 TYR 62 1HD TYR 62 3.068 5.406 3.312 495 HD2 TYR 62 2HD TYR 62 0.116 8.240 2.160 496 HE1 TYR 62 1HE TYR 62 4.680 6.466 1.786 497 HE2 TYR 62 2HE TYR 62 1.720 9.308 0.633 498 HH TYR 62 HH TYR 62 4.782 7.863 -0.085 499 H ILE 63 H ILE 63 -1.240 7.868 6.357 500 HA ILE 63 HA ILE 63 -2.502 5.526 7.555 501 HB ILE 63 HB ILE 63 -3.089 8.450 8.163 502 HG12 ILE 63 2HG1 ILE 63 -1.972 7.883 10.431 503 HG13 ILE 63 1HG1 ILE 63 -1.266 6.509 9.598 504 HG21 ILE 63 1HG2 ILE 63 -4.957 7.008 8.626 505 HG22 ILE 63 2HG2 ILE 63 -4.257 7.586 10.141 506 HG23 ILE 63 3HG2 ILE 63 -3.938 5.941 9.588 507 HD11 ILE 63 3HD1 ILE 63 0.293 8.366 9.755 508 HD12 ILE 63 1HD1 ILE 63 -0.841 9.410 8.899 509 HD13 ILE 63 2HD1 ILE 63 -0.114 8.035 8.070 510 H ILE 64 H ILE 64 -4.191 4.731 6.530 511 HA ILE 64 HA ILE 64 -5.815 6.506 4.896 512 HB ILE 64 HB ILE 64 -5.246 3.552 4.781 513 HG12 ILE 64 2HG1 ILE 64 -3.743 5.241 3.661 514 HG13 ILE 64 1HG1 ILE 64 -4.363 3.969 2.589 515 HG21 ILE 64 1HG2 ILE 64 -7.649 3.806 4.496 516 HG22 ILE 64 2HG2 ILE 64 -6.919 3.374 2.948 517 HG23 ILE 64 3HG2 ILE 64 -7.403 5.044 3.269 518 HD11 ILE 64 3HD1 ILE 64 -5.337 6.803 2.848 519 HD12 ILE 64 1HD1 ILE 64 -6.045 5.587 1.795 520 HD13 ILE 64 2HD1 ILE 64 -4.397 6.139 1.515 521 H THR 65 H THR 65 -7.595 7.046 5.840 522 HA THR 65 HA THR 65 -8.589 5.323 7.980 523 HB THR 65 HB THR 65 -9.208 8.249 7.560 524 HG1 THR 65 1HG THR 65 -6.994 6.952 8.513 525 HG21 THR 65 3HG2 THR 65 -10.772 6.969 8.969 526 HG22 THR 65 1HG2 THR 65 -9.836 8.107 9.941 527 HG23 THR 65 2HG2 THR 65 -9.422 6.391 9.932 528 H LEU 66 H LEU 66 -10.467 4.391 7.696 529 HA LEU 66 HA LEU 66 -12.392 5.431 5.737 530 HB2 LEU 66 2HB LEU 66 -11.410 2.647 6.164 531 HB3 LEU 66 1HB LEU 66 -13.109 2.849 5.835 532 HG LEU 66 HG LEU 66 -11.959 2.267 3.807 533 HD11 LEU 66 1HD1 LEU 66 -12.766 5.146 3.728 534 HD12 LEU 66 2HD1 LEU 66 -13.820 3.744 3.567 535 HD13 LEU 66 3HD1 LEU 66 -12.593 4.065 2.344 536 HD21 LEU 66 3HD2 LEU 66 -9.723 3.017 4.353 537 HD22 LEU 66 1HD2 LEU 66 -10.246 4.699 4.256 538 HD23 LEU 66 2HD2 LEU 66 -10.246 3.690 2.810 539 H GLY 67 H GLY 67 -14.624 4.465 6.232 540 HA2 GLY 67 2HA GLY 67 -15.228 5.024 8.984 541 HA3 GLY 67 1HA GLY 67 -16.375 4.670 7.694 542 H VAL 68 H VAL 68 -17.071 3.474 9.802 543 HA VAL 68 HA VAL 68 -15.676 1.056 10.366 544 HB VAL 68 HB VAL 68 -16.859 2.115 12.118 545 HG11 VAL 68 1HG1 VAL 68 -19.407 1.600 10.589 546 HG12 VAL 68 2HG1 VAL 68 -18.677 3.170 10.929 547 HG13 VAL 68 3HG1 VAL 68 -19.330 2.199 12.247 548 HG21 VAL 68 3HG2 VAL 68 -18.153 -0.528 11.470 549 HG22 VAL 68 1HG2 VAL 68 -18.150 0.246 13.054 550 HG23 VAL 68 2HG2 VAL 68 -16.629 -0.284 12.327 551 H HIS 69 H HIS 69 -18.538 1.762 8.462 552 HA HIS 69 HA HIS 69 -19.136 -0.994 7.966 553 HB2 HIS 69 2HB HIS 69 -20.919 0.690 7.850 554 HB3 HIS 69 1HB HIS 69 -20.070 1.528 6.567 555 HD1 HIS 69 1HD HIS 69 -22.104 -1.623 7.169 556 HD2 HIS 69 2HD HIS 69 -20.501 0.582 4.035 557 HE1 HIS 69 1HE HIS 69 -23.112 -2.563 5.071 558 H ASP 70 H ASP 70 -17.208 1.441 6.517 559 HA ASP 70 HA ASP 70 -16.673 0.266 4.020 560 HB2 ASP 70 2HB ASP 70 -14.882 2.026 5.683 561 HB3 ASP 70 1HB ASP 70 -14.887 1.874 3.925 562 H PHE 71 H PHE 71 -15.087 0.215 7.206 563 HA PHE 71 HA PHE 71 -12.920 -1.334 6.329 564 HB2 PHE 71 2HB PHE 71 -12.979 0.224 8.290 565 HB3 PHE 71 1HB PHE 71 -13.880 -1.012 9.158 566 HD1 PHE 71 2HD PHE 71 -10.709 -0.150 7.624 567 HD2 PHE 71 1HD PHE 71 -12.782 -2.944 10.017 568 HE1 PHE 71 2HE PHE 71 -8.554 -1.181 8.259 569 HE2 PHE 71 1HE PHE 71 -10.645 -3.994 10.680 570 HZ PHE 71 HZ PHE 71 -8.529 -3.107 9.795 571 H GLU 72 H GLU 72 -16.112 -2.211 7.638 572 HA GLU 72 HA GLU 72 -15.349 -4.872 8.178 573 HB2 GLU 72 2HB GLU 72 -17.672 -5.374 8.395 574 HB3 GLU 72 1HB GLU 72 -17.325 -3.806 9.134 575 HG2 GLU 72 2HG GLU 72 -18.290 -2.713 7.162 576 HG3 GLU 72 1HG GLU 72 -18.676 -4.295 6.500 577 H LYS 73 H LYS 73 -16.432 -3.244 5.402 578 HA LYS 73 HA LYS 73 -16.696 -5.480 3.660 579 HB2 LYS 73 2HB LYS 73 -15.924 -2.637 2.964 580 HB3 LYS 73 1HB LYS 73 -16.458 -3.849 1.815 581 HG2 LYS 73 2HG LYS 73 -18.114 -2.702 4.061 582 HG3 LYS 73 1HG LYS 73 -18.222 -2.254 2.360 583 HD2 LYS 73 2HD LYS 73 -18.693 -5.033 3.420 584 HD3 LYS 73 1HD LYS 73 -19.978 -3.860 3.140 585 HE2 LYS 73 2HE LYS 73 -18.076 -4.880 1.012 586 HE3 LYS 73 1HE LYS 73 -19.715 -5.466 1.261 587 HZ1 LYS 73 3HZ LYS 73 -19.097 -2.615 0.640 588 HZ2 LYS 73 1HZ LYS 73 -20.587 -3.338 0.707 589 HZ3 LYS 73 2HZ LYS 73 -19.557 -3.741 -0.523 590 H LEU 74 H LEU 74 -13.989 -3.569 4.724 591 HA LEU 74 HA LEU 74 -12.074 -4.811 2.960 592 HB2 LEU 74 2HB LEU 74 -11.606 -3.342 5.567 593 HB3 LEU 74 1HB LEU 74 -10.365 -3.774 4.413 594 HG LEU 74 HG LEU 74 -12.586 -1.774 3.968 595 HD11 LEU 74 1HD1 LEU 74 -9.624 -1.392 4.357 596 HD12 LEU 74 2HD1 LEU 74 -10.890 -0.973 5.511 597 HD13 LEU 74 3HD1 LEU 74 -10.786 -0.124 3.970 598 HD21 LEU 74 3HD2 LEU 74 -12.003 -2.887 1.883 599 HD22 LEU 74 1HD2 LEU 74 -10.290 -2.580 2.178 600 HD23 LEU 74 2HD2 LEU 74 -11.394 -1.236 1.887 601 H GLY 75 H GLY 75 -13.347 -5.375 6.126 602 HA2 GLY 75 2HA GLY 75 -13.613 -7.634 6.885 603 HA3 GLY 75 1HA GLY 75 -12.075 -8.018 6.121 604 H ALA 76 H ALA 76 -11.658 -8.910 8.257 605 HA ALA 76 HA ALA 76 -11.020 -7.010 10.351 606 HB1 ALA 76 1HB ALA 76 -10.390 -8.999 11.647 607 HB2 ALA 76 2HB ALA 76 -10.601 -10.005 10.214 608 HB3 ALA 76 3HB ALA 76 -11.993 -9.196 10.936 609 H ASP 77 H ASP 77 -9.668 -7.735 7.588 610 HA ASP 77 HA ASP 77 -6.907 -7.758 8.578 611 HB2 ASP 77 2HB ASP 77 -7.109 -9.691 7.292 612 HB3 ASP 77 1HB ASP 77 -8.065 -8.880 6.052 613 HA PRO 78 HA PRO 78 -6.598 -3.888 6.302 614 HB2 PRO 78 2HB PRO 78 -4.836 -2.758 8.095 615 HB3 PRO 78 1HB PRO 78 -6.580 -2.499 8.156 616 HG2 PRO 78 2HG PRO 78 -4.866 -4.196 9.863 617 HG3 PRO 78 1HG PRO 78 -6.400 -3.407 10.244 618 HD2 PRO 78 2HD PRO 78 -6.046 -6.118 9.656 619 HD3 PRO 78 1HD PRO 78 -7.591 -5.253 9.650 620 H GLU 79 H GLU 79 -4.413 -5.755 8.207 621 HA GLU 79 HA GLU 79 -1.896 -5.013 7.643 622 HB2 GLU 79 2HB GLU 79 -2.884 -7.780 8.175 623 HB3 GLU 79 1HB GLU 79 -1.232 -7.225 8.374 624 HG2 GLU 79 2HG GLU 79 -1.850 -5.770 10.141 625 HG3 GLU 79 1HG GLU 79 -3.567 -6.023 9.836 626 H LEU 80 H LEU 80 -3.503 -7.708 5.858 627 HA LEU 80 HA LEU 80 -1.073 -8.266 4.484 628 HB2 LEU 80 2HB LEU 80 -2.882 -9.938 5.009 629 HB3 LEU 80 1HB LEU 80 -3.865 -9.192 3.776 630 HG LEU 80 HG LEU 80 -1.202 -10.497 3.146 631 HD11 LEU 80 1HD1 LEU 80 -2.628 -12.141 4.215 632 HD12 LEU 80 2HD1 LEU 80 -2.493 -12.473 2.486 633 HD13 LEU 80 3HD1 LEU 80 -3.953 -11.721 3.131 634 HD21 LEU 80 3HD2 LEU 80 -3.628 -9.907 1.430 635 HD22 LEU 80 1HD2 LEU 80 -2.139 -10.684 0.889 636 HD23 LEU 80 2HD2 LEU 80 -2.118 -8.998 1.412 637 H LYS 81 H LYS 81 -4.080 -6.791 3.485 638 HA LYS 81 HA LYS 81 -2.968 -6.219 0.940 639 HB2 LYS 81 2HB LYS 81 -5.130 -4.876 0.605 640 HB3 LYS 81 1HB LYS 81 -5.194 -6.626 0.700 641 HG2 LYS 81 2HG LYS 81 -5.937 -6.481 3.007 642 HG3 LYS 81 1HG LYS 81 -5.851 -4.718 2.934 643 HD2 LYS 81 2HD LYS 81 -7.541 -4.638 1.264 644 HD3 LYS 81 1HD LYS 81 -7.496 -6.388 1.060 645 HE2 LYS 81 2HE LYS 81 -8.315 -4.980 3.591 646 HE3 LYS 81 1HE LYS 81 -9.443 -5.584 2.379 647 HZ1 LYS 81 3HZ LYS 81 -9.244 -7.138 4.134 648 HZ2 LYS 81 1HZ LYS 81 -7.554 -7.248 4.001 649 HZ3 LYS 81 2HZ LYS 81 -8.566 -7.813 2.757 650 H SER 82 H SER 82 -3.119 -4.360 3.904 651 HA SER 82 HA SER 82 -2.643 -1.897 2.594 652 HB2 SER 82 2HB SER 82 -1.973 -1.101 4.864 653 HB3 SER 82 1HB SER 82 -3.539 -1.908 4.847 654 HG SER 82 HG SER 82 -1.417 -2.495 6.300 655 H THR 83 H THR 83 -0.591 -4.446 3.842 656 HA THR 83 HA THR 83 1.840 -3.040 3.458 657 HB THR 83 HB THR 83 1.380 -6.030 3.675 658 HG1 THR 83 1HG THR 83 0.543 -5.275 5.504 659 HG21 THR 83 3HG2 THR 83 3.774 -4.304 4.340 660 HG22 THR 83 1HG2 THR 83 3.645 -5.388 2.955 661 HG23 THR 83 2HG2 THR 83 3.660 -6.049 4.594 662 H GLY 84 H GLY 84 -0.076 -5.319 1.529 663 HA2 GLY 84 2HA GLY 84 1.760 -5.589 -0.605 664 HA3 GLY 84 1HA GLY 84 0.023 -5.860 -0.711 665 H PHE 85 H PHE 85 -0.883 -3.357 0.004 666 HA PHE 85 HA PHE 85 -0.704 -1.965 -2.450 667 HB2 PHE 85 2HB PHE 85 -2.626 -2.134 -0.728 668 HB3 PHE 85 1HB PHE 85 -1.778 -0.869 0.139 669 HD1 PHE 85 1HD PHE 85 -2.797 -1.546 -3.383 670 HD2 PHE 85 2HD PHE 85 -2.660 1.207 -0.148 671 HE1 PHE 85 1HE PHE 85 -4.014 0.101 -4.742 672 HE2 PHE 85 2HE PHE 85 -3.872 2.853 -1.502 673 HZ PHE 85 HZ PHE 85 -4.551 2.307 -3.792 674 H ALA 86 H ALA 86 0.979 -1.751 0.593 675 HA ALA 86 HA ALA 86 2.137 0.813 0.266 676 HB1 ALA 86 1HB ALA 86 3.708 0.134 2.010 677 HB2 ALA 86 2HB ALA 86 3.201 -1.543 1.834 678 HB3 ALA 86 3HB ALA 86 2.064 -0.341 2.450 679 H ARG 87 H ARG 87 3.084 -2.453 -0.767 680 HA ARG 87 HA ARG 87 5.648 -1.936 -1.710 681 HB2 ARG 87 2HB ARG 87 4.730 -4.137 -1.383 682 HB3 ARG 87 1HB ARG 87 3.453 -3.814 -2.538 683 HG2 ARG 87 2HG ARG 87 5.363 -3.524 -4.229 684 HG3 ARG 87 1HG ARG 87 6.335 -4.389 -3.027 685 HD2 ARG 87 2HD ARG 87 5.328 -5.892 -4.631 686 HD3 ARG 87 1HD ARG 87 4.716 -6.210 -3.001 687 HE ARG 87 HE ARG 87 3.235 -4.435 -4.772 688 HH11 ARG 87 1HH1 ARG 87 3.396 -7.706 -3.433 689 HH12 ARG 87 2HH1 ARG 87 1.718 -7.953 -3.473 690 HH21 ARG 87 1HH2 ARG 87 0.951 -4.732 -4.757 691 HH22 ARG 87 2HH2 ARG 87 0.265 -6.205 -4.218 692 H ASP 88 H ASP 88 2.443 -1.858 -3.239 693 HA ASP 88 HA ASP 88 3.145 -1.005 -5.802 694 HB2 ASP 88 2HB ASP 88 0.642 -0.674 -4.166 695 HB3 ASP 88 1HB ASP 88 0.781 0.106 -5.731 696 H LEU 89 H LEU 89 2.228 0.901 -2.983 697 HA LEU 89 HA LEU 89 2.494 3.410 -4.216 698 HB2 LEU 89 2HB LEU 89 1.218 3.011 -2.170 699 HB3 LEU 89 1HB LEU 89 2.708 2.710 -1.302 700 HG LEU 89 HG LEU 89 3.389 5.045 -1.651 701 HD11 LEU 89 1HD1 LEU 89 1.771 6.668 -2.526 702 HD12 LEU 89 2HD1 LEU 89 0.679 5.349 -2.953 703 HD13 LEU 89 3HD1 LEU 89 2.244 5.498 -3.755 704 HD21 LEU 89 3HD2 LEU 89 1.725 6.047 -0.171 705 HD22 LEU 89 1HD2 LEU 89 2.177 4.423 0.347 706 HD23 LEU 89 2HD2 LEU 89 0.650 4.681 -0.486 707 H ALA 90 H ALA 90 4.834 1.431 -2.472 708 HA ALA 90 HA ALA 90 6.915 3.320 -2.349 709 HB1 ALA 90 1HB ALA 90 8.410 1.399 -2.067 710 HB2 ALA 90 2HB ALA 90 7.118 0.312 -2.576 711 HB3 ALA 90 3HB ALA 90 6.968 1.223 -1.076 712 H ASP 91 H ASP 91 5.885 1.101 -4.810 713 HA ASP 91 HA ASP 91 8.045 1.513 -6.608 714 HB2 ASP 91 2HB ASP 91 6.505 -0.423 -6.804 715 HB3 ASP 91 1HB ASP 91 5.203 0.678 -7.218 716 H TYR 92 H TYR 92 4.902 2.976 -6.176 717 HA TYR 92 HA TYR 92 4.904 4.785 -8.293 718 HB2 TYR 92 2HB TYR 92 3.581 4.772 -5.638 719 HB3 TYR 92 1HB TYR 92 3.562 6.258 -6.569 720 HD1 TYR 92 2HD TYR 92 2.542 6.272 -8.778 721 HD2 TYR 92 1HD TYR 92 2.169 2.948 -6.205 722 HE1 TYR 92 2HE TYR 92 0.624 5.534 -10.078 723 HE2 TYR 92 1HE TYR 92 0.231 2.158 -7.473 724 HH TYR 92 HH TYR 92 -1.361 2.883 -8.893 725 H ILE 93 H ILE 93 6.115 5.328 -4.981 726 HA ILE 93 HA ILE 93 6.924 7.941 -5.623 727 HB ILE 93 HB ILE 93 8.267 7.966 -3.527 728 HG12 ILE 93 2HG1 ILE 93 7.390 5.076 -3.252 729 HG13 ILE 93 1HG1 ILE 93 9.028 5.607 -3.578 730 HG21 ILE 93 1HG2 ILE 93 5.500 6.805 -3.243 731 HG22 ILE 93 2HG2 ILE 93 5.900 8.507 -3.448 732 HG23 ILE 93 3HG2 ILE 93 6.381 7.657 -1.977 733 HD11 ILE 93 3HD1 ILE 93 8.746 4.994 -1.241 734 HD12 ILE 93 1HD1 ILE 93 7.460 6.187 -1.069 735 HD13 ILE 93 2HD1 ILE 93 9.111 6.713 -1.393 736 H GLN 94 H GLN 94 8.605 4.881 -5.851 737 HA GLN 94 HA GLN 94 11.150 5.933 -6.500 738 HB2 GLN 94 2HB GLN 94 9.840 3.305 -7.111 739 HB3 GLN 94 1HB GLN 94 11.494 3.679 -7.577 740 HG2 GLN 94 2HG GLN 94 12.105 3.974 -5.257 741 HG3 GLN 94 1HG GLN 94 10.433 3.733 -4.762 742 HE21 GLN 94 1HE2 GLN 94 12.847 2.304 -4.076 743 HE22 GLN 94 2HE2 GLN 94 12.565 0.646 -4.457 744 H GLU 95 H GLU 95 8.353 5.085 -8.425 745 HA GLU 95 HA GLU 95 9.477 5.412 -10.938 746 HB2 GLU 95 2HB GLU 95 6.821 5.165 -9.828 747 HB3 GLU 95 1HB GLU 95 6.841 6.218 -11.233 748 HG2 GLU 95 2HG GLU 95 7.944 3.423 -11.136 749 HG3 GLU 95 1HG GLU 95 6.382 3.889 -11.815 750 H GLN 96 H GLN 96 8.115 7.738 -8.748 751 HA GLN 96 HA GLN 96 8.295 9.974 -10.586 752 HB2 GLN 96 2HB GLN 96 7.969 9.976 -7.613 753 HB3 GLN 96 1HB GLN 96 7.594 11.294 -8.702 754 HG2 GLN 96 2HG GLN 96 6.181 8.649 -8.431 755 HG3 GLN 96 1HG GLN 96 5.553 10.241 -8.026 756 HE21 GLN 96 1HE2 GLN 96 4.552 8.151 -9.779 757 HE22 GLN 96 2HE2 GLN 96 4.336 8.862 -11.328 758 H GLY 97 H GLY 97 10.464 8.317 -8.632 759 HA2 GLY 97 2HA GLY 97 12.742 8.673 -8.545 760 HA3 GLY 97 1HA GLY 97 12.489 10.286 -9.190 761 H TRP 98 H TRP 98 10.711 9.098 -6.422 762 HA TRP 98 HA TRP 98 12.143 11.065 -4.792 763 HB2 TRP 98 2HB TRP 98 9.475 9.738 -4.268 764 HB3 TRP 98 1HB TRP 98 10.204 11.025 -3.312 765 HD1 TRP 98 HD TRP 98 11.047 12.896 -5.830 766 HE1 TRP 98 1HE TRP 98 9.219 14.168 -7.071 767 HE3 TRP 98 3HE TRP 98 7.016 10.119 -4.362 768 HZ2 TRP 98 2HZ TRP 98 6.405 14.048 -7.366 769 HZ3 TRP 98 3HZ TRP 98 4.785 10.774 -5.161 770 HH2 TRP 98 HH TRP 98 4.487 12.697 -6.629 771 H GLN 99 H GLN 99 12.011 10.327 -2.331 772 HA GLN 99 HA GLN 99 12.528 7.483 -2.017 773 HB2 GLN 99 2HB GLN 99 14.635 7.887 -0.838 774 HB3 GLN 99 1HB GLN 99 14.735 8.348 -2.529 775 HG2 GLN 99 2HG GLN 99 14.595 10.674 -1.966 776 HG3 GLN 99 1HG GLN 99 14.248 10.291 -0.282 777 HE21 GLN 99 1HE2 GLN 99 16.424 11.832 -1.532 778 HE22 GLN 99 2HE2 GLN 99 17.882 11.085 -0.990 779 H THR 100 H THR 100 13.107 7.163 0.435 780 HA THR 100 HA THR 100 12.100 9.139 2.176 781 HB THR 100 HB THR 100 9.992 7.972 1.353 782 HG1 THR 100 1HG THR 100 9.536 8.757 3.182 783 HG21 THR 100 3HG2 THR 100 11.164 5.598 2.834 784 HG22 THR 100 1HG2 THR 100 10.897 5.694 1.094 785 HG23 THR 100 2HG2 THR 100 9.522 5.693 2.203 786 H TYR 101 H TYR 101 12.057 7.816 4.476 787 HA TYR 101 HA TYR 101 14.479 6.178 4.432 788 HB2 TYR 101 2HB TYR 101 13.896 8.429 6.348 789 HB3 TYR 101 1HB TYR 101 15.127 7.207 6.638 790 HD1 TYR 101 2HD TYR 101 16.929 6.932 4.802 791 HD2 TYR 101 1HD TYR 101 14.447 10.361 5.174 792 HE1 TYR 101 2HE TYR 101 18.557 8.238 3.508 793 HE2 TYR 101 1HE TYR 101 16.062 11.676 3.880 794 HH TYR 101 HH TYR 101 18.651 10.213 2.189 795 H GLY 102 H GLY 102 14.191 4.291 5.264 796 HA2 GLY 102 2HA GLY 102 13.581 3.000 7.192 797 HA3 GLY 102 1HA GLY 102 12.159 4.028 7.352 798 H ASP 103 H ASP 103 10.739 2.350 7.220 799 HA ASP 103 HA ASP 103 10.567 1.021 4.611 800 HB2 ASP 103 2HB ASP 103 10.908 -0.528 6.530 801 HB3 ASP 103 1HB ASP 103 9.477 0.134 7.302 802 H VAL 104 H VAL 104 8.452 0.947 3.698 803 HA VAL 104 HA VAL 104 6.883 3.255 4.499 804 HB VAL 104 HB VAL 104 7.462 3.072 2.110 805 HG11 VAL 104 1HG1 VAL 104 7.634 0.737 1.763 806 HG12 VAL 104 2HG1 VAL 104 6.328 1.337 0.715 807 HG13 VAL 104 3HG1 VAL 104 5.947 0.495 2.210 808 HG21 VAL 104 3HG2 VAL 104 4.502 2.709 2.584 809 HG22 VAL 104 1HG2 VAL 104 5.229 3.385 1.126 810 HG23 VAL 104 2HG2 VAL 104 5.391 4.228 2.668 811 H VAL 105 H VAL 105 4.884 3.143 5.339 812 HA VAL 105 HA VAL 105 3.651 0.533 5.453 813 HB VAL 105 HB VAL 105 4.849 0.689 7.552 814 HG11 VAL 105 1HG1 VAL 105 3.367 3.257 8.079 815 HG12 VAL 105 2HG1 VAL 105 5.096 3.083 7.782 816 HG13 VAL 105 3HG1 VAL 105 4.382 2.407 9.244 817 HG21 VAL 105 3HG2 VAL 105 2.704 -0.438 7.627 818 HG22 VAL 105 1HG2 VAL 105 1.887 1.088 7.961 819 HG23 VAL 105 2HG2 VAL 105 2.990 0.404 9.152 820 H VAL 106 H VAL 106 1.719 0.613 4.764 821 HA VAL 106 HA VAL 106 0.176 3.096 4.960 822 HB VAL 106 HB VAL 106 -0.271 0.665 3.163 823 HG11 VAL 106 1HG1 VAL 106 -2.380 1.750 3.757 824 HG12 VAL 106 2HG1 VAL 106 -1.999 2.020 2.057 825 HG13 VAL 106 3HG1 VAL 106 -1.738 3.305 3.233 826 HG21 VAL 106 3HG2 VAL 106 0.659 3.442 2.432 827 HG22 VAL 106 1HG2 VAL 106 0.345 2.126 1.306 828 HG23 VAL 106 2HG2 VAL 106 1.669 2.001 2.468 829 H ARG 107 H ARG 107 -1.595 3.049 6.233 830 HA ARG 107 HA ARG 107 -2.284 0.446 7.459 831 HB2 ARG 107 2HB ARG 107 -2.440 3.175 8.706 832 HB3 ARG 107 1HB ARG 107 -2.889 1.660 9.467 833 HG2 ARG 107 2HG ARG 107 -0.596 0.912 9.414 834 HG3 ARG 107 1HG ARG 107 -0.120 2.371 8.543 835 HD2 ARG 107 2HD ARG 107 -0.929 3.709 10.457 836 HD3 ARG 107 1HD ARG 107 -1.233 2.205 11.331 837 HE ARG 107 HE ARG 107 1.157 1.732 10.990 838 HH11 ARG 107 1HH1 ARG 107 -0.079 5.054 11.335 839 HH12 ARG 107 2HH1 ARG 107 1.431 5.727 11.713 840 HH21 ARG 107 1HH2 ARG 107 3.274 2.713 11.545 841 HH22 ARG 107 2HH2 ARG 107 3.328 4.425 11.745 842 H PHE 108 H PHE 108 -4.329 -0.146 7.227 843 HA PHE 108 HA PHE 108 -6.273 1.889 6.408 844 HB2 PHE 108 2HB PHE 108 -6.549 -1.146 6.474 845 HB3 PHE 108 1HB PHE 108 -7.769 -0.029 5.892 846 HD1 PHE 108 1HD PHE 108 -5.732 1.727 4.346 847 HD2 PHE 108 2HD PHE 108 -6.437 -2.453 4.506 848 HE1 PHE 108 1HE PHE 108 -4.864 1.502 2.050 849 HE2 PHE 108 2HE PHE 108 -5.563 -2.695 2.219 850 HZ PHE 108 HZ PHE 108 -4.774 -0.718 0.988 851 H GLU 109 H GLU 109 -7.306 2.772 8.088 852 HA GLU 109 HA GLU 109 -8.158 1.015 10.176 853 HB2 GLU 109 2HB GLU 109 -7.300 2.775 11.906 854 HB3 GLU 109 1HB GLU 109 -6.215 1.554 11.262 855 HG2 GLU 109 2HG GLU 109 -5.444 3.262 9.602 856 HG3 GLU 109 1HG GLU 109 -6.365 4.459 10.508 857 H GLN 110 H GLN 110 -9.474 2.264 11.829 858 HA GLN 110 HA GLN 110 -11.511 3.584 10.196 859 HB2 GLN 110 2HB GLN 110 -11.716 2.104 12.801 860 HB3 GLN 110 1HB GLN 110 -13.016 3.022 12.076 861 HG2 GLN 110 2HG GLN 110 -13.033 1.535 10.177 862 HG3 GLN 110 1HG GLN 110 -11.670 0.639 10.851 863 HE21 GLN 110 1HE2 GLN 110 -14.198 1.888 12.927 864 HE22 GLN 110 2HE2 GLN 110 -14.874 0.368 13.312 865 H SER 111 H SER 111 -12.776 5.183 11.101 866 HA SER 111 HA SER 111 -12.205 6.189 13.674 867 HB2 SER 111 2HB SER 111 -12.099 7.870 11.162 868 HB3 SER 111 1HB SER 111 -12.306 8.542 12.780 869 HG SER 111 HG SER 111 -10.311 6.721 12.591 870 H SER 112 H SER 112 -14.130 6.145 14.613 871 HA SER 112 HA SER 112 -16.510 5.451 13.344 872 HB2 SER 112 2HB SER 112 -16.149 6.777 16.032 873 HB3 SER 112 1HB SER 112 -17.547 5.836 15.507 874 HG SER 112 HG SER 112 -16.081 4.637 16.777 875 H ASN 113 H ASN 113 -15.095 8.533 13.798 876 HA ASN 113 HA ASN 113 -17.513 10.077 13.546 877 HB2 ASN 113 2HB ASN 113 -15.522 10.795 14.827 878 HB3 ASN 113 1HB ASN 113 -14.633 10.907 13.322 879 HD21 ASN 113 1HD2 ASN 113 -14.870 12.654 12.052 880 HD22 ASN 113 2HD2 ASN 113 -15.846 14.017 12.453 881 H LEU 114 H LEU 114 -15.419 8.517 11.456 882 HA LEU 114 HA LEU 114 -16.107 10.183 9.142 883 HB2 LEU 114 2HB LEU 114 -13.724 9.418 9.587 884 HB3 LEU 114 1HB LEU 114 -14.271 7.780 9.317 885 HG LEU 114 HG LEU 114 -14.891 8.428 6.989 886 HD11 LEU 114 1HD1 LEU 114 -13.488 10.989 7.731 887 HD12 LEU 114 2HD1 LEU 114 -15.189 10.813 7.292 888 HD13 LEU 114 3HD1 LEU 114 -13.927 10.505 6.098 889 HD21 LEU 114 3HD2 LEU 114 -12.785 7.320 7.467 890 HD22 LEU 114 1HD2 LEU 114 -12.025 8.877 7.794 891 HD23 LEU 114 2HD2 LEU 114 -12.593 8.499 6.169 892 H HIS 115 H HIS 115 -17.413 9.245 7.447 893 HA HIS 115 HA HIS 115 -18.546 6.677 8.244 894 HB2 HIS 115 2HB HIS 115 -20.083 8.631 8.730 895 HB3 HIS 115 1HB HIS 115 -20.167 8.909 6.992 896 HD1 HIS 115 1HD HIS 115 -22.219 7.855 5.973 897 HD2 HIS 115 2HD HIS 115 -20.841 5.763 9.290 898 HE1 HIS 115 1HE HIS 115 -23.764 5.888 6.261 899 H THR 116 H THR 116 -19.692 5.566 6.473 900 HA THR 116 HA THR 116 -18.032 4.677 4.612 901 HB THR 116 HB THR 116 -21.031 4.665 4.574 902 HG1 THR 116 1HG THR 116 -18.939 3.324 5.841 903 HG21 THR 116 3HG2 THR 116 -20.794 2.562 3.342 904 HG22 THR 116 1HG2 THR 116 -19.033 2.684 3.422 905 HG23 THR 116 2HG2 THR 116 -19.949 3.837 2.461 906 H GLY 117 H GLY 117 -17.280 5.217 2.829 907 HA2 GLY 117 2HA GLY 117 -17.536 5.949 0.531 908 HA3 GLY 117 1HA GLY 117 -18.735 7.115 1.089 909 H GLN 118 H GLN 118 -17.070 7.730 3.429 910 HA GLN 118 HA GLN 118 -15.322 9.625 2.085 911 HB2 GLN 118 2HB GLN 118 -16.364 9.510 4.924 912 HB3 GLN 118 1HB GLN 118 -15.155 10.655 4.395 913 HG2 GLN 118 2HG GLN 118 -17.252 11.781 4.483 914 HG3 GLN 118 1HG GLN 118 -16.827 11.576 2.793 915 HE21 GLN 118 1HE2 GLN 118 -18.928 10.546 5.343 916 HE22 GLN 118 2HE2 GLN 118 -20.148 9.826 4.360 917 H PHE 119 H PHE 119 -13.163 9.593 2.395 918 HA PHE 119 HA PHE 119 -11.985 7.723 4.269 919 HB2 PHE 119 2HB PHE 119 -10.757 6.501 2.584 920 HB3 PHE 119 1HB PHE 119 -12.419 6.526 2.047 921 HD1 PHE 119 2HD PHE 119 -13.085 8.420 0.371 922 HD2 PHE 119 1HD PHE 119 -9.077 7.165 1.092 923 HE1 PHE 119 2HE PHE 119 -12.395 9.389 -1.776 924 HE2 PHE 119 1HE PHE 119 -8.384 8.133 -1.059 925 HZ PHE 119 HZ PHE 119 -10.047 9.248 -2.496 926 H ARG 120 H ARG 120 -9.664 8.247 4.443 927 HA ARG 120 HA ARG 120 -8.828 10.569 2.937 928 HB2 ARG 120 2HB ARG 120 -8.813 10.509 5.939 929 HB3 ARG 120 1HB ARG 120 -7.662 11.477 5.039 930 HG2 ARG 120 2HG ARG 120 -9.858 12.417 3.921 931 HG3 ARG 120 1HG ARG 120 -10.586 11.856 5.430 932 HD2 ARG 120 2HD ARG 120 -9.877 14.173 5.664 933 HD3 ARG 120 1HD ARG 120 -8.879 13.137 6.691 934 HE ARG 120 HE ARG 120 -7.815 13.650 4.046 935 HH11 ARG 120 1HH1 ARG 120 -7.808 14.860 7.375 936 HH12 ARG 120 2HH1 ARG 120 -6.278 15.604 7.227 937 HH21 ARG 120 1HH2 ARG 120 -5.711 14.683 3.870 938 HH22 ARG 120 2HH2 ARG 120 -5.081 15.507 5.188 939 H ALA 121 H ALA 121 -6.665 10.854 2.734 940 HA ALA 121 HA ALA 121 -5.011 8.577 3.498 941 HB1 ALA 121 1HB ALA 121 -5.401 8.641 1.071 942 HB2 ALA 121 2HB ALA 121 -3.733 9.078 1.443 943 HB3 ALA 121 3HB ALA 121 -4.899 10.332 1.037 944 H ARG 122 H ARG 122 -3.460 9.181 4.893 945 HA ARG 122 HA ARG 122 -2.662 11.950 4.823 946 HB2 ARG 122 2HB ARG 122 -3.973 11.032 6.771 947 HB3 ARG 122 1HB ARG 122 -2.547 10.055 7.101 948 HG2 ARG 122 2HG ARG 122 -2.516 11.985 8.476 949 HG3 ARG 122 1HG ARG 122 -1.223 12.075 7.286 950 HD2 ARG 122 2HD ARG 122 -3.867 13.315 6.708 951 HD3 ARG 122 1HD ARG 122 -2.717 14.115 7.752 952 HE ARG 122 HE ARG 122 -2.319 13.527 4.863 953 HH11 ARG 122 1HH1 ARG 122 -1.275 15.344 7.734 954 HH12 ARG 122 2HH1 ARG 122 -0.291 16.396 6.834 955 HH21 ARG 122 1HH2 ARG 122 -1.042 14.821 3.730 956 HH22 ARG 122 2HH2 ARG 122 -0.121 16.093 4.418 957 H GLY 123 H GLY 123 -0.692 12.067 4.026 958 HA2 GLY 123 2HA GLY 123 1.173 9.815 4.420 959 HA3 GLY 123 1HA GLY 123 1.289 10.989 3.117 960 H THR 124 H THR 124 2.794 10.040 5.777 961 HA THR 124 HA THR 124 3.934 12.685 6.265 962 HB THR 124 HB THR 124 4.024 11.995 8.749 963 HG1 THR 124 1HG THR 124 2.476 9.991 7.661 964 HG21 THR 124 3HG2 THR 124 1.847 13.004 9.206 965 HG22 THR 124 1HG2 THR 124 1.334 12.685 7.543 966 HG23 THR 124 2HG2 THR 124 2.631 13.832 7.859 967 H VAL 125 H VAL 125 6.076 12.554 7.314 968 HA VAL 125 HA VAL 125 7.445 10.048 6.634 969 HB VAL 125 HB VAL 125 8.653 12.800 7.088 970 HG11 VAL 125 1HG1 VAL 125 10.205 11.002 7.635 971 HG12 VAL 125 2HG1 VAL 125 10.712 11.824 6.158 972 HG13 VAL 125 3HG1 VAL 125 9.914 10.256 6.066 973 HG21 VAL 125 3HG2 VAL 125 7.284 12.621 5.015 974 HG22 VAL 125 1HG2 VAL 125 8.350 11.321 4.487 975 HG23 VAL 125 2HG2 VAL 125 8.993 12.948 4.715 976 H ASN 126 H ASN 126 8.135 8.822 8.230 977 HA ASN 126 HA ASN 126 9.080 10.093 10.679 978 HB2 ASN 126 2HB ASN 126 6.880 9.059 11.230 979 HB3 ASN 126 1HB ASN 126 7.479 7.513 10.632 980 HD21 ASN 126 1HD2 ASN 126 7.319 6.484 12.600 981 HD22 ASN 126 2HD2 ASN 126 8.355 6.800 13.941 982 HA PRO 127 HA PRO 127 12.321 7.378 9.118 983 HB2 PRO 127 2HB PRO 127 14.403 8.882 9.857 984 HB3 PRO 127 1HB PRO 127 13.405 9.332 8.469 985 HG2 PRO 127 2HG PRO 127 13.398 10.437 11.244 986 HG3 PRO 127 1HG PRO 127 13.213 11.287 9.703 987 HD2 PRO 127 2HD PRO 127 11.134 10.538 11.389 988 HD3 PRO 127 1HD PRO 127 10.957 10.926 9.666 989 H ASP 128 H ASP 128 11.267 8.159 12.158 990 HA ASP 128 HA ASP 128 13.436 6.775 13.557 991 HB2 ASP 128 2HB ASP 128 11.149 8.406 14.711 992 HB3 ASP 128 1HB ASP 128 12.409 7.617 15.648 993 H VAL 129 H VAL 129 12.649 5.002 12.343 994 HA VAL 129 HA VAL 129 10.740 3.444 13.938 995 HB VAL 129 HB VAL 129 10.998 3.239 10.921 996 HG11 VAL 129 1HG1 VAL 129 8.969 1.874 11.043 997 HG12 VAL 129 2HG1 VAL 129 8.991 2.021 12.801 998 HG13 VAL 129 3HG1 VAL 129 10.301 1.185 11.973 999 HG21 VAL 129 3HG2 VAL 129 9.961 5.378 11.422 1000 HG22 VAL 129 1HG2 VAL 129 8.787 4.578 12.464 1001 HG23 VAL 129 2HG2 VAL 129 8.780 4.266 10.728 1002 H GLU 130 H GLU 130 11.667 1.616 14.545 1003 HA GLU 130 HA GLU 130 14.227 0.744 13.677 1004 HB2 GLU 130 2HB GLU 130 12.043 -0.619 15.241 1005 HB3 GLU 130 1HB GLU 130 13.585 -1.392 14.901 1006 HG2 GLU 130 2HG GLU 130 13.228 1.188 16.395 1007 HG3 GLU 130 1HG GLU 130 13.502 -0.400 17.126 1008 H THR 131 H THR 131 14.724 -1.145 12.392 1009 HA THR 131 HA THR 131 12.573 -1.943 10.632 1010 HB THR 131 HB THR 131 13.244 0.202 9.711 1011 HG1 THR 131 1HG THR 131 14.109 -0.634 7.612 1012 HG21 THR 131 3HG2 THR 131 15.520 0.309 10.583 1013 HG22 THR 131 1HG2 THR 131 15.513 0.591 8.842 1014 HG23 THR 131 2HG2 THR 131 16.014 -0.973 9.481 1015 H HIS 132 H HIS 132 12.933 -3.798 9.566 1016 HA HIS 132 HA HIS 132 15.580 -5.009 9.530 1017 HB2 HIS 132 2HB HIS 132 12.946 -6.416 10.134 1018 HB3 HIS 132 1HB HIS 132 14.421 -7.254 9.689 1019 HD1 HIS 132 1HD HIS 132 12.649 -7.197 12.496 1020 HD2 HIS 132 2HD HIS 132 16.465 -5.760 11.731 1021 HE1 HIS 132 1HE HIS 132 13.849 -7.183 14.718 Start of MODEL 3 1 H1 MET 1 1HT MET 1 9.069 13.352 13.562 2 H2 MET 1 2HT MET 1 10.167 14.166 14.580 3 H3 MET 1 3HT MET 1 10.471 12.586 14.113 4 HA MET 1 HA MET 1 10.783 13.202 11.886 5 HB2 MET 1 2HB MET 1 10.111 15.971 12.883 6 HB3 MET 1 1HB MET 1 10.959 15.705 11.376 7 HG2 MET 1 2HG MET 1 8.667 16.097 10.880 8 HG3 MET 1 1HG MET 1 8.991 14.394 10.589 9 HE1 MET 1 2HE MET 1 5.277 14.362 11.769 10 HE2 MET 1 3HE MET 1 6.419 13.931 10.498 11 HE3 MET 1 1HE MET 1 6.055 15.627 10.813 12 H GLY 2 H GLY 2 12.742 12.326 12.425 13 HA2 GLY 2 2HA GLY 2 14.667 14.167 13.624 14 HA3 GLY 2 1HA GLY 2 14.864 12.419 13.498 15 H SER 3 H SER 3 16.558 14.657 12.510 16 HA SER 3 HA SER 3 16.276 14.261 9.667 17 HB2 SER 3 2HB SER 3 16.678 16.568 10.509 18 HB3 SER 3 1HB SER 3 18.239 16.045 11.139 19 HG SER 3 HG SER 3 17.420 16.495 8.510 20 H GLN 4 H GLN 4 16.780 12.123 9.613 21 HA GLN 4 HA GLN 4 19.571 11.393 10.113 22 HB2 GLN 4 2HB GLN 4 17.177 9.681 9.380 23 HB3 GLN 4 1HB GLN 4 18.799 9.070 9.642 24 HG2 GLN 4 2HG GLN 4 17.205 10.507 11.757 25 HG3 GLN 4 1HG GLN 4 17.186 8.763 11.532 26 HE21 GLN 4 1HE2 GLN 4 17.998 8.414 13.589 27 HE22 GLN 4 2HE2 GLN 4 19.647 8.705 13.984 28 H LYS 5 H LYS 5 20.597 12.354 8.354 29 HA LYS 5 HA LYS 5 19.414 12.123 5.736 30 HB2 LYS 5 2HB LYS 5 22.069 13.259 6.598 31 HB3 LYS 5 1HB LYS 5 21.378 13.396 4.989 32 HG2 LYS 5 2HG LYS 5 19.579 14.741 5.823 33 HG3 LYS 5 1HG LYS 5 20.120 14.517 7.488 34 HD2 LYS 5 2HD LYS 5 22.255 15.564 6.889 35 HD3 LYS 5 1HD LYS 5 21.624 15.898 5.275 36 HE2 LYS 5 2HE LYS 5 21.426 17.885 6.633 37 HE3 LYS 5 1HE LYS 5 19.816 17.231 6.345 38 HZ1 LYS 5 3HZ LYS 5 19.753 16.340 8.553 39 HZ2 LYS 5 1HZ LYS 5 20.255 17.928 8.678 40 HZ3 LYS 5 2HZ LYS 5 21.370 16.686 8.827 41 H ARG 6 H ARG 6 19.602 10.363 4.619 42 HA ARG 6 HA ARG 6 22.130 8.900 4.560 43 HB2 ARG 6 2HB ARG 6 19.360 7.730 4.912 44 HB3 ARG 6 1HB ARG 6 20.744 6.780 4.401 45 HG2 ARG 6 2HG ARG 6 21.856 7.160 6.487 46 HG3 ARG 6 1HG ARG 6 20.622 8.320 6.977 47 HD2 ARG 6 2HD ARG 6 20.347 6.152 8.075 48 HD3 ARG 6 1HD ARG 6 18.964 6.571 7.072 49 HE ARG 6 HE ARG 6 20.445 5.036 5.423 50 HH11 ARG 6 1HH1 ARG 6 19.612 4.495 8.828 51 HH12 ARG 6 2HH1 ARG 6 19.234 2.860 8.618 52 HH21 ARG 6 1HH2 ARG 6 19.934 2.676 5.163 53 HH22 ARG 6 2HH2 ARG 6 19.439 1.835 6.548 54 H LEU 7 H LEU 7 22.789 9.109 2.536 55 HA LEU 7 HA LEU 7 20.887 9.503 0.401 56 HB2 LEU 7 2HB LEU 7 23.077 10.730 0.533 57 HB3 LEU 7 1HB LEU 7 23.894 9.198 0.283 58 HG LEU 7 HG LEU 7 22.649 9.041 -1.915 59 HD11 LEU 7 1HD1 LEU 7 22.092 11.932 -1.317 60 HD12 LEU 7 2HD1 LEU 7 20.902 10.637 -1.477 61 HD13 LEU 7 3HD1 LEU 7 21.848 11.141 -2.872 62 HD21 LEU 7 3HD2 LEU 7 25.017 9.626 -1.788 63 HD22 LEU 7 1HD2 LEU 7 24.589 11.320 -1.551 64 HD23 LEU 7 2HD2 LEU 7 24.209 10.520 -3.075 65 H VAL 8 H VAL 8 19.817 7.504 0.309 66 HA VAL 8 HA VAL 8 21.450 5.135 -0.046 67 HB VAL 8 HB VAL 8 19.344 3.842 -0.009 68 HG11 VAL 8 1HG1 VAL 8 19.575 5.825 2.244 69 HG12 VAL 8 2HG1 VAL 8 20.457 4.309 2.094 70 HG13 VAL 8 3HG1 VAL 8 18.704 4.294 2.316 71 HG21 VAL 8 3HG2 VAL 8 17.976 6.518 0.351 72 HG22 VAL 8 1HG2 VAL 8 17.203 4.942 0.509 73 HG23 VAL 8 2HG2 VAL 8 17.834 5.463 -1.055 74 H GLN 9 H GLN 9 21.653 4.003 -1.908 75 HA GLN 9 HA GLN 9 20.823 5.488 -4.264 76 HB2 GLN 9 2HB GLN 9 22.844 3.263 -3.960 77 HB3 GLN 9 1HB GLN 9 22.467 4.083 -5.472 78 HG2 GLN 9 2HG GLN 9 23.619 5.380 -3.009 79 HG3 GLN 9 1HG GLN 9 24.506 4.970 -4.478 80 HE21 GLN 9 1HE2 GLN 9 24.153 6.181 -6.321 81 HE22 GLN 9 2HE2 GLN 9 23.392 7.730 -6.275 82 H ARG 10 H ARG 10 19.092 4.911 -5.271 83 HA ARG 10 HA ARG 10 18.469 2.083 -5.510 84 HB2 ARG 10 2HB ARG 10 16.468 4.167 -4.648 85 HB3 ARG 10 1HB ARG 10 16.051 2.561 -5.199 86 HG2 ARG 10 2HG ARG 10 17.343 1.650 -3.253 87 HG3 ARG 10 1HG ARG 10 17.545 3.307 -2.704 88 HD2 ARG 10 2HD ARG 10 14.816 2.184 -3.296 89 HD3 ARG 10 1HD ARG 10 15.578 1.973 -1.727 90 HE ARG 10 HE ARG 10 15.202 4.136 -1.234 91 HH11 ARG 10 1HH1 ARG 10 14.521 3.849 -4.702 92 HH12 ARG 10 2HH1 ARG 10 13.675 5.319 -4.817 93 HH21 ARG 10 1HH2 ARG 10 13.955 6.039 -1.368 94 HH22 ARG 10 2HH2 ARG 10 13.295 6.594 -2.858 95 H VAL 11 H VAL 11 19.451 2.673 -7.589 96 HA VAL 11 HA VAL 11 17.423 3.877 -9.268 97 HB VAL 11 HB VAL 11 19.504 5.161 -9.374 98 HG11 VAL 11 1HG1 VAL 11 21.143 3.514 -8.791 99 HG12 VAL 11 2HG1 VAL 11 21.579 4.284 -10.318 100 HG13 VAL 11 3HG1 VAL 11 20.877 2.667 -10.316 101 HG21 VAL 11 3HG2 VAL 11 18.189 5.142 -11.388 102 HG22 VAL 11 1HG2 VAL 11 18.966 3.654 -11.929 103 HG23 VAL 11 2HG2 VAL 11 19.900 5.145 -11.819 104 H GLU 12 H GLU 12 16.162 2.293 -9.702 105 HA GLU 12 HA GLU 12 17.190 0.022 -11.183 106 HB2 GLU 12 2HB GLU 12 15.675 -1.468 -9.866 107 HB3 GLU 12 1HB GLU 12 16.997 -0.802 -8.924 108 HG2 GLU 12 2HG GLU 12 15.449 0.872 -8.005 109 HG3 GLU 12 1HG GLU 12 14.138 0.110 -8.910 110 H ARG 13 H ARG 13 14.753 -1.239 -11.685 111 HA ARG 13 HA ARG 13 13.709 0.871 -13.359 112 HB2 ARG 13 2HB ARG 13 14.400 -1.188 -14.514 113 HB3 ARG 13 1HB ARG 13 13.177 -2.091 -13.630 114 HG2 ARG 13 2HG ARG 13 11.455 -0.582 -14.628 115 HG3 ARG 13 1HG ARG 13 12.723 0.105 -15.632 116 HD2 ARG 13 2HD ARG 13 13.101 -2.037 -16.682 117 HD3 ARG 13 1HD ARG 13 11.934 -2.805 -15.597 118 HE ARG 13 HE ARG 13 10.934 -0.579 -17.113 119 HH11 ARG 13 1HH1 ARG 13 11.337 -4.096 -17.127 120 HH12 ARG 13 2HH1 ARG 13 9.976 -4.382 -18.116 121 HH21 ARG 13 1HH2 ARG 13 9.077 -0.981 -18.459 122 HH22 ARG 13 2HH2 ARG 13 8.662 -2.571 -18.889 123 H LYS 14 H LYS 14 11.707 -1.890 -12.271 124 HA LYS 14 HA LYS 14 9.748 -0.366 -10.926 125 HB2 LYS 14 2HB LYS 14 9.560 0.835 -13.034 126 HB3 LYS 14 1HB LYS 14 9.512 -0.668 -13.928 127 HG2 LYS 14 2HG LYS 14 7.345 0.291 -13.900 128 HG3 LYS 14 1HG LYS 14 7.336 -1.158 -12.892 129 HD2 LYS 14 2HD LYS 14 7.535 0.247 -10.912 130 HD3 LYS 14 1HD LYS 14 7.517 1.678 -11.947 131 HE2 LYS 14 2HE LYS 14 5.315 -0.358 -11.668 132 HE3 LYS 14 1HE LYS 14 5.316 1.271 -11.006 133 HZ1 LYS 14 3HZ LYS 14 5.299 0.527 -13.877 134 HZ2 LYS 14 1HZ LYS 14 5.445 2.106 -13.296 135 HZ3 LYS 14 2HZ LYS 14 4.044 1.218 -12.989 136 H LEU 15 H LEU 15 8.237 -1.873 -10.137 137 HA LEU 15 HA LEU 15 8.281 -4.563 -11.297 138 HB2 LEU 15 2HB LEU 15 7.491 -3.502 -8.592 139 HB3 LEU 15 1HB LEU 15 6.792 -4.993 -9.164 140 HG LEU 15 HG LEU 15 8.588 -5.473 -7.655 141 HD11 LEU 15 1HD1 LEU 15 9.984 -6.913 -9.006 142 HD12 LEU 15 2HD1 LEU 15 9.432 -6.098 -10.466 143 HD13 LEU 15 3HD1 LEU 15 8.291 -7.016 -9.482 144 HD21 LEU 15 3HD2 LEU 15 10.361 -3.892 -9.499 145 HD22 LEU 15 1HD2 LEU 15 10.914 -4.854 -8.125 146 HD23 LEU 15 2HD2 LEU 15 9.885 -3.447 -7.857 147 H GLU 16 H GLU 16 5.869 -5.521 -10.763 148 HA GLU 16 HA GLU 16 4.071 -3.657 -12.122 149 HB2 GLU 16 2HB GLU 16 3.600 -6.606 -11.588 150 HB3 GLU 16 1HB GLU 16 2.658 -5.567 -12.633 151 HG2 GLU 16 2HG GLU 16 3.884 -6.916 -14.093 152 HG3 GLU 16 1HG GLU 16 4.779 -5.399 -14.067 153 H GLN 17 H GLN 17 2.300 -2.919 -10.969 154 HA GLN 17 HA GLN 17 2.438 -3.318 -8.161 155 HB2 GLN 17 2HB GLN 17 0.545 -1.813 -7.981 156 HB3 GLN 17 1HB GLN 17 1.695 -1.169 -9.132 157 HG2 GLN 17 2HG GLN 17 0.295 -1.999 -10.959 158 HG3 GLN 17 1HG GLN 17 -0.885 -2.559 -9.770 159 HE21 GLN 17 1HE2 GLN 17 -2.001 -1.020 -8.535 160 HE22 GLN 17 2HE2 GLN 17 -2.150 0.620 -9.050 161 H THR 18 H THR 18 0.729 -4.169 -6.826 162 HA THR 18 HA THR 18 0.072 -6.778 -7.773 163 HB THR 18 HB THR 18 -0.849 -5.546 -5.241 164 HG1 THR 18 1HG THR 18 1.340 -4.996 -5.226 165 HG21 THR 18 3HG2 THR 18 -1.514 -7.839 -5.726 166 HG22 THR 18 1HG2 THR 18 -0.394 -7.821 -4.359 167 HG23 THR 18 2HG2 THR 18 0.174 -8.296 -5.960 168 H VAL 19 H VAL 19 -1.569 -6.697 -9.183 169 HA VAL 19 HA VAL 19 -3.899 -5.098 -8.526 170 HB VAL 19 HB VAL 19 -4.705 -5.446 -10.838 171 HG11 VAL 19 1HG1 VAL 19 -1.901 -4.368 -10.645 172 HG12 VAL 19 2HG1 VAL 19 -3.388 -3.483 -10.304 173 HG13 VAL 19 3HG1 VAL 19 -3.040 -4.026 -11.946 174 HG21 VAL 19 3HG2 VAL 19 -2.047 -6.790 -11.309 175 HG22 VAL 19 1HG2 VAL 19 -3.255 -6.424 -12.535 176 HG23 VAL 19 2HG2 VAL 19 -3.603 -7.619 -11.280 177 H GLY 20 H GLY 20 -5.905 -5.850 -8.288 178 HA2 GLY 20 2HA GLY 20 -6.530 -8.553 -8.645 179 HA3 GLY 20 1HA GLY 20 -6.513 -7.955 -6.971 180 H ASP 21 H ASP 21 -8.779 -8.593 -7.942 181 HA ASP 21 HA ASP 21 -10.121 -6.044 -8.675 182 HB2 ASP 21 2HB ASP 21 -11.099 -8.868 -9.188 183 HB3 ASP 21 1HB ASP 21 -11.981 -7.402 -9.583 184 H ALA 22 H ALA 22 -9.384 -7.224 -6.046 185 HA ALA 22 HA ALA 22 -11.533 -8.390 -4.703 186 HB1 ALA 22 1HB ALA 22 -9.224 -8.331 -3.836 187 HB2 ALA 22 2HB ALA 22 -10.425 -7.827 -2.646 188 HB3 ALA 22 3HB ALA 22 -9.440 -6.617 -3.468 189 H PHE 23 H PHE 23 -10.646 -4.996 -4.527 190 HA PHE 23 HA PHE 23 -12.981 -4.327 -3.051 191 HB2 PHE 23 2HB PHE 23 -11.015 -2.799 -4.616 192 HB3 PHE 23 1HB PHE 23 -12.244 -1.962 -3.634 193 HD1 PHE 23 1HD PHE 23 -12.201 -2.942 -1.084 194 HD2 PHE 23 2HD PHE 23 -8.924 -2.938 -3.804 195 HE1 PHE 23 1HE PHE 23 -10.627 -3.059 0.805 196 HE2 PHE 23 2HE PHE 23 -7.354 -3.061 -1.923 197 HZ PHE 23 HZ PHE 23 -8.199 -3.115 0.382 198 H ALA 24 H ALA 24 -12.115 -4.476 -6.385 199 HA ALA 24 HA ALA 24 -14.144 -2.839 -7.450 200 HB1 ALA 24 1HB ALA 24 -12.684 -5.109 -8.801 201 HB2 ALA 24 2HB ALA 24 -12.122 -3.440 -8.707 202 HB3 ALA 24 3HB ALA 24 -13.589 -3.826 -9.606 203 H ARG 25 H ARG 25 -13.968 -6.413 -7.146 204 HA ARG 25 HA ARG 25 -16.602 -6.631 -8.090 205 HB2 ARG 25 2HB ARG 25 -16.430 -9.067 -7.482 206 HB3 ARG 25 1HB ARG 25 -15.271 -8.445 -8.635 207 HG2 ARG 25 2HG ARG 25 -14.139 -10.002 -7.244 208 HG3 ARG 25 1HG ARG 25 -13.582 -8.402 -6.787 209 HD2 ARG 25 2HD ARG 25 -15.079 -8.453 -4.850 210 HD3 ARG 25 1HD ARG 25 -15.635 -10.055 -5.338 211 HE ARG 25 HE ARG 25 -12.845 -10.054 -5.129 212 HH11 ARG 25 1HH1 ARG 25 -15.717 -9.986 -3.061 213 HH12 ARG 25 2HH1 ARG 25 -14.961 -10.714 -1.723 214 HH21 ARG 25 1HH2 ARG 25 -11.791 -11.105 -3.253 215 HH22 ARG 25 2HH2 ARG 25 -12.707 -11.390 -1.850 216 H ILE 26 H ILE 26 -15.333 -6.214 -4.983 217 HA ILE 26 HA ILE 26 -17.680 -6.961 -3.541 218 HB ILE 26 HB ILE 26 -15.487 -4.997 -2.769 219 HG12 ILE 26 2HG1 ILE 26 -16.036 -7.814 -1.807 220 HG13 ILE 26 1HG1 ILE 26 -14.816 -7.375 -2.996 221 HG21 ILE 26 1HG2 ILE 26 -17.711 -6.092 -1.035 222 HG22 ILE 26 2HG2 ILE 26 -17.541 -4.420 -1.568 223 HG23 ILE 26 3HG2 ILE 26 -16.356 -5.120 -0.464 224 HD11 ILE 26 3HD1 ILE 26 -14.869 -6.467 -0.126 225 HD12 ILE 26 1HD1 ILE 26 -13.635 -6.067 -1.316 226 HD13 ILE 26 2HD1 ILE 26 -13.844 -7.740 -0.792 227 H PHE 27 H PHE 27 -16.498 -3.758 -4.579 228 HA PHE 27 HA PHE 27 -18.981 -2.511 -3.857 229 HB2 PHE 27 2HB PHE 27 -16.498 -1.457 -5.192 230 HB3 PHE 27 1HB PHE 27 -17.927 -0.464 -4.942 231 HD1 PHE 27 2HD PHE 27 -18.702 -0.012 -2.647 232 HD2 PHE 27 1HD PHE 27 -14.981 -1.895 -3.433 233 HE1 PHE 27 2HE PHE 27 -17.950 0.542 -0.363 234 HE2 PHE 27 1HE PHE 27 -14.210 -1.350 -1.158 235 HZ PHE 27 HZ PHE 27 -15.698 -0.128 0.381 236 H GLY 28 H GLY 28 -18.180 -4.345 -6.440 237 HA2 GLY 28 2HA GLY 28 -19.345 -4.833 -8.368 238 HA3 GLY 28 1HA GLY 28 -20.577 -3.698 -7.841 239 H GLY 29 H GLY 29 -17.427 -2.508 -8.001 240 HA2 GLY 29 2HA GLY 29 -16.314 -1.224 -9.591 241 HA3 GLY 29 1HA GLY 29 -17.633 -1.522 -10.709 242 H SER 30 H SER 30 -19.112 -0.520 -7.924 243 HA SER 30 HA SER 30 -19.768 2.012 -9.016 244 HB2 SER 30 2HB SER 30 -20.282 0.916 -6.241 245 HB3 SER 30 1HB SER 30 -21.101 2.297 -6.974 246 HG SER 30 HG SER 30 -21.259 0.265 -8.663 247 H ILE 31 H ILE 31 -17.386 0.888 -6.835 248 HA ILE 31 HA ILE 31 -16.331 3.606 -6.564 249 HB ILE 31 HB ILE 31 -16.113 1.320 -4.556 250 HG12 ILE 31 2HG1 ILE 31 -18.289 2.472 -4.422 251 HG13 ILE 31 1HG1 ILE 31 -17.320 2.772 -2.985 252 HG21 ILE 31 1HG2 ILE 31 -14.018 2.538 -4.657 253 HG22 ILE 31 2HG2 ILE 31 -14.839 2.866 -3.129 254 HG23 ILE 31 3HG2 ILE 31 -14.870 4.065 -4.420 255 HD11 ILE 31 3HD1 ILE 31 -18.477 4.785 -3.689 256 HD12 ILE 31 1HD1 ILE 31 -17.739 4.679 -5.287 257 HD13 ILE 31 2HD1 ILE 31 -16.737 4.992 -3.871 258 H VAL 32 H VAL 32 -14.445 3.768 -7.604 259 HA VAL 32 HA VAL 32 -13.242 1.378 -8.685 260 HB VAL 32 HB VAL 32 -12.458 4.295 -9.049 261 HG11 VAL 32 1HG1 VAL 32 -11.650 1.851 -10.627 262 HG12 VAL 32 2HG1 VAL 32 -10.611 2.794 -9.558 263 HG13 VAL 32 3HG1 VAL 32 -11.239 3.515 -11.035 264 HG21 VAL 32 3HG2 VAL 32 -13.599 4.167 -11.203 265 HG22 VAL 32 1HG2 VAL 32 -14.716 3.856 -9.874 266 HG23 VAL 32 2HG2 VAL 32 -14.106 2.516 -10.842 267 HA PRO 33 HA PRO 33 -10.455 1.042 -5.157 268 HB2 PRO 33 2HB PRO 33 -8.874 -0.494 -7.168 269 HB3 PRO 33 1HB PRO 33 -9.351 -0.953 -5.527 270 HG2 PRO 33 2HG PRO 33 -10.621 -2.007 -7.606 271 HG3 PRO 33 1HG PRO 33 -11.525 -1.496 -6.175 272 HD2 PRO 33 2HD PRO 33 -11.269 -0.142 -8.826 273 HD3 PRO 33 1HD PRO 33 -12.676 -0.310 -7.756 274 H GLN 34 H GLN 34 -9.509 2.099 -8.332 275 HA GLN 34 HA GLN 34 -6.893 2.960 -7.683 276 HB2 GLN 34 2HB GLN 34 -7.675 2.538 -10.013 277 HB3 GLN 34 1HB GLN 34 -8.652 3.996 -9.920 278 HG2 GLN 34 2HG GLN 34 -6.675 5.358 -9.695 279 HG3 GLN 34 1HG GLN 34 -5.656 3.923 -9.633 280 HE21 GLN 34 1HE2 GLN 34 -5.302 2.764 -11.491 281 HE22 GLN 34 2HE2 GLN 34 -5.593 3.409 -13.056 282 H GLU 35 H GLU 35 -9.894 4.266 -6.788 283 HA GLU 35 HA GLU 35 -9.337 7.016 -6.555 284 HB2 GLU 35 2HB GLU 35 -11.570 5.910 -6.204 285 HB3 GLU 35 1HB GLU 35 -10.959 5.235 -4.712 286 HG2 GLU 35 2HG GLU 35 -12.387 7.139 -4.288 287 HG3 GLU 35 1HG GLU 35 -10.735 7.469 -3.777 288 H VAL 36 H VAL 36 -8.556 4.217 -4.620 289 HA VAL 36 HA VAL 36 -7.473 5.622 -2.396 290 HB VAL 36 HB VAL 36 -6.930 2.757 -3.258 291 HG11 VAL 36 1HG1 VAL 36 -5.352 3.530 -1.598 292 HG12 VAL 36 2HG1 VAL 36 -6.458 2.355 -0.888 293 HG13 VAL 36 3HG1 VAL 36 -6.672 4.076 -0.562 294 HG21 VAL 36 3HG2 VAL 36 -8.736 2.112 -1.718 295 HG22 VAL 36 1HG2 VAL 36 -9.327 3.122 -3.039 296 HG23 VAL 36 2HG2 VAL 36 -9.093 3.820 -1.440 297 H GLU 37 H GLU 37 -6.096 4.053 -5.266 298 HA GLU 37 HA GLU 37 -3.362 4.444 -4.826 299 HB2 GLU 37 2HB GLU 37 -4.879 4.551 -7.434 300 HB3 GLU 37 1HB GLU 37 -3.136 4.424 -7.299 301 HG2 GLU 37 2HG GLU 37 -3.365 2.271 -6.212 302 HG3 GLU 37 1HG GLU 37 -5.121 2.394 -6.308 303 H ALA 38 H ALA 38 -5.739 6.548 -6.286 304 HA ALA 38 HA ALA 38 -4.090 8.651 -7.078 305 HB1 ALA 38 1HB ALA 38 -6.107 10.015 -7.136 306 HB2 ALA 38 2HB ALA 38 -6.963 8.805 -6.176 307 HB3 ALA 38 3HB ALA 38 -6.415 8.413 -7.805 308 H LEU 39 H LEU 39 -5.841 8.181 -4.029 309 HA LEU 39 HA LEU 39 -4.859 10.591 -2.941 310 HB2 LEU 39 2HB LEU 39 -6.324 8.292 -1.752 311 HB3 LEU 39 1HB LEU 39 -5.521 9.412 -0.674 312 HG LEU 39 HG LEU 39 -7.878 9.989 -0.911 313 HD11 LEU 39 1HD1 LEU 39 -7.665 12.327 -1.494 314 HD12 LEU 39 2HD1 LEU 39 -6.100 12.011 -2.238 315 HD13 LEU 39 3HD1 LEU 39 -6.314 11.776 -0.503 316 HD21 LEU 39 3HD2 LEU 39 -8.320 9.123 -3.146 317 HD22 LEU 39 1HD2 LEU 39 -7.267 10.358 -3.842 318 HD23 LEU 39 2HD2 LEU 39 -8.763 10.828 -3.040 319 H LEU 40 H LEU 40 -3.640 7.317 -2.764 320 HA LEU 40 HA LEU 40 -1.655 7.850 -0.851 321 HB2 LEU 40 2HB LEU 40 -1.971 5.757 -2.946 322 HB3 LEU 40 1HB LEU 40 -0.390 5.963 -2.234 323 HG LEU 40 HG LEU 40 -1.644 4.140 -1.175 324 HD11 LEU 40 1HD1 LEU 40 -1.333 4.784 1.132 325 HD12 LEU 40 2HD1 LEU 40 -1.199 6.474 0.656 326 HD13 LEU 40 3HD1 LEU 40 0.014 5.307 0.125 327 HD21 LEU 40 3HD2 LEU 40 -3.549 6.283 -0.266 328 HD22 LEU 40 1HD2 LEU 40 -3.579 4.592 0.231 329 HD23 LEU 40 2HD2 LEU 40 -3.905 5.032 -1.451 330 H ARG 41 H ARG 41 -1.507 8.109 -4.378 331 HA ARG 41 HA ARG 41 1.197 9.030 -4.281 332 HB2 ARG 41 2HB ARG 41 1.022 9.448 -6.677 333 HB3 ARG 41 1HB ARG 41 0.329 7.883 -6.293 334 HG2 ARG 41 2HG ARG 41 -1.924 8.983 -6.346 335 HG3 ARG 41 1HG ARG 41 -1.123 10.426 -6.971 336 HD2 ARG 41 2HD ARG 41 -1.167 7.693 -8.239 337 HD3 ARG 41 1HD ARG 41 -2.062 9.107 -8.778 338 HE ARG 41 HE ARG 41 0.653 9.759 -8.760 339 HH11 ARG 41 1HH1 ARG 41 -1.597 7.655 -10.508 340 HH12 ARG 41 2HH1 ARG 41 -0.689 7.597 -11.932 341 HH21 ARG 41 1HH2 ARG 41 1.939 9.676 -10.735 342 HH22 ARG 41 2HH2 ARG 41 1.404 8.785 -12.074 343 H ARG 42 H ARG 42 -1.910 10.578 -4.157 344 HA ARG 42 HA ARG 42 -1.013 13.204 -4.633 345 HB2 ARG 42 2HB ARG 42 -3.378 12.706 -4.815 346 HB3 ARG 42 1HB ARG 42 -3.440 12.192 -3.140 347 HG2 ARG 42 2HG ARG 42 -3.110 14.442 -2.373 348 HG3 ARG 42 1HG ARG 42 -2.820 14.996 -4.021 349 HD2 ARG 42 2HD ARG 42 -5.085 14.583 -4.643 350 HD3 ARG 42 1HD ARG 42 -5.409 13.741 -3.129 351 HE ARG 42 HE ARG 42 -5.050 15.858 -2.002 352 HH11 ARG 42 1HH1 ARG 42 -5.976 15.979 -5.438 353 HH12 ARG 42 2HH1 ARG 42 -6.680 17.518 -5.351 354 HH21 ARG 42 1HH2 ARG 42 -6.020 18.028 -1.894 355 HH22 ARG 42 2HH2 ARG 42 -6.695 18.703 -3.300 356 H GLU 43 H GLU 43 -1.457 11.384 -1.607 357 HA GLU 43 HA GLU 43 -0.563 13.486 0.058 358 HB2 GLU 43 2HB GLU 43 -0.570 10.499 0.504 359 HB3 GLU 43 1HB GLU 43 -0.147 11.665 1.744 360 HG2 GLU 43 2HG GLU 43 -2.820 11.469 0.363 361 HG3 GLU 43 1HG GLU 43 -2.438 10.860 1.971 362 H ALA 44 H ALA 44 1.090 10.918 -1.655 363 HA ALA 44 HA ALA 44 3.645 11.222 -0.563 364 HB1 ALA 44 1HB ALA 44 3.000 9.327 -1.989 365 HB2 ALA 44 2HB ALA 44 4.459 10.117 -2.584 366 HB3 ALA 44 3HB ALA 44 2.911 10.411 -3.377 367 H ALA 45 H ALA 45 2.183 12.681 -3.435 368 HA ALA 45 HA ALA 45 4.397 14.296 -4.121 369 HB1 ALA 45 1HB ALA 45 1.486 14.621 -4.835 370 HB2 ALA 45 2HB ALA 45 2.662 13.659 -5.726 371 HB3 ALA 45 3HB ALA 45 2.838 15.410 -5.642 372 H ASP 46 H ASP 46 1.649 14.743 -2.058 373 HA ASP 46 HA ASP 46 1.831 17.541 -1.680 374 HB2 ASP 46 2HB ASP 46 -0.196 16.254 -1.165 375 HB3 ASP 46 1HB ASP 46 0.664 15.412 0.114 376 H GLY 47 H GLY 47 3.100 14.782 0.126 377 HA2 GLY 47 2HA GLY 47 4.296 16.471 2.142 378 HA3 GLY 47 1HA GLY 47 4.361 14.719 2.056 379 H ILE 48 H ILE 48 5.257 16.285 -0.806 380 HA ILE 48 HA ILE 48 7.893 15.377 -0.739 381 HB ILE 48 HB ILE 48 6.400 17.274 -2.506 382 HG12 ILE 48 2HG1 ILE 48 5.948 14.938 -2.805 383 HG13 ILE 48 1HG1 ILE 48 6.849 15.525 -4.202 384 HG21 ILE 48 1HG2 ILE 48 8.633 18.192 -2.380 385 HG22 ILE 48 2HG2 ILE 48 8.287 17.523 -3.976 386 HG23 ILE 48 3HG2 ILE 48 9.308 16.625 -2.835 387 HD11 ILE 48 3HD1 ILE 48 7.896 13.841 -1.923 388 HD12 ILE 48 1HD1 ILE 48 8.903 14.566 -3.182 389 HD13 ILE 48 2HD1 ILE 48 7.675 13.386 -3.602 390 H GLN 49 H GLN 49 9.587 16.088 0.154 391 HA GLN 49 HA GLN 49 9.623 18.859 1.029 392 HB2 GLN 49 2HB GLN 49 10.722 16.424 2.388 393 HB3 GLN 49 1HB GLN 49 11.189 18.057 2.846 394 HG2 GLN 49 2HG GLN 49 8.846 18.571 3.264 395 HG3 GLN 49 1HG GLN 49 8.409 16.910 2.865 396 HE21 GLN 49 1HE2 GLN 49 9.021 15.294 4.255 397 HE22 GLN 49 2HE2 GLN 49 9.436 15.583 5.913 398 H SER 50 H SER 50 11.405 19.953 0.867 399 HA SER 50 HA SER 50 13.016 19.472 -1.380 400 HB2 SER 50 2HB SER 50 13.452 21.453 0.854 401 HB3 SER 50 1HB SER 50 14.106 21.542 -0.786 402 HG SER 50 HG SER 50 11.516 21.286 -1.069 403 H LEU 51 H LEU 51 14.737 18.457 -1.593 404 HA LEU 51 HA LEU 51 16.593 17.907 0.543 405 HB2 LEU 51 2HB LEU 51 14.725 16.083 0.205 406 HB3 LEU 51 1HB LEU 51 15.575 15.730 -1.279 407 HG LEU 51 HG LEU 51 17.611 15.218 0.076 408 HD11 LEU 51 1HD1 LEU 51 17.086 16.533 2.061 409 HD12 LEU 51 2HD1 LEU 51 17.353 14.842 2.472 410 HD13 LEU 51 3HD1 LEU 51 15.710 15.481 2.397 411 HD21 LEU 51 3HD2 LEU 51 16.193 13.439 -0.708 412 HD22 LEU 51 1HD2 LEU 51 15.116 13.642 0.673 413 HD23 LEU 51 2HD2 LEU 51 16.759 13.085 0.927 414 H GLN 52 H GLN 52 18.230 16.243 -1.170 415 HA GLN 52 HA GLN 52 19.600 17.995 -2.771 416 HB2 GLN 52 2HB GLN 52 19.242 15.019 -3.141 417 HB3 GLN 52 1HB GLN 52 20.352 15.957 -4.115 418 HG2 GLN 52 2HG GLN 52 21.650 14.927 -2.448 419 HG3 GLN 52 1HG GLN 52 21.488 16.607 -1.955 420 HE21 GLN 52 1HE2 GLN 52 21.911 16.131 0.171 421 HE22 GLN 52 2HE2 GLN 52 20.801 15.315 1.200 422 H GLY 53 H GLY 53 19.716 18.411 -5.031 423 HA2 GLY 53 2HA GLY 53 17.182 19.082 -6.102 424 HA3 GLY 53 1HA GLY 53 18.728 19.254 -6.917 425 H ASN 54 H ASN 54 19.128 16.331 -6.406 426 HA ASN 54 HA ASN 54 17.798 15.490 -8.831 427 HB2 ASN 54 2HB ASN 54 19.932 14.125 -7.206 428 HB3 ASN 54 1HB ASN 54 19.223 13.453 -8.669 429 HD21 ASN 54 1HD2 ASN 54 21.954 14.190 -8.062 430 HD22 ASN 54 2HD2 ASN 54 22.419 15.329 -9.275 431 H ARG 55 H ARG 55 17.088 15.296 -5.535 432 HA ARG 55 HA ARG 55 15.155 13.238 -5.985 433 HB2 ARG 55 2HB ARG 55 15.971 11.736 -4.194 434 HB3 ARG 55 1HB ARG 55 17.051 11.812 -5.580 435 HG2 ARG 55 2HG ARG 55 18.459 13.376 -4.406 436 HG3 ARG 55 1HG ARG 55 17.385 13.301 -3.007 437 HD2 ARG 55 2HD ARG 55 19.268 11.867 -2.616 438 HD3 ARG 55 1HD ARG 55 17.831 10.878 -2.855 439 HE ARG 55 HE ARG 55 19.371 11.310 -5.239 440 HH11 ARG 55 1HH1 ARG 55 18.844 9.203 -2.441 441 HH12 ARG 55 2HH1 ARG 55 19.738 7.915 -3.080 442 HH21 ARG 55 1HH2 ARG 55 20.623 9.571 -6.084 443 HH22 ARG 55 2HH2 ARG 55 20.826 8.141 -5.166 444 H LEU 56 H LEU 56 13.448 13.697 -4.847 445 HA LEU 56 HA LEU 56 13.572 15.656 -2.647 446 HB2 LEU 56 2HB LEU 56 11.299 14.646 -4.348 447 HB3 LEU 56 1HB LEU 56 11.157 15.811 -3.038 448 HG LEU 56 HG LEU 56 12.858 16.281 -5.487 449 HD11 LEU 56 1HD1 LEU 56 10.100 17.322 -4.887 450 HD12 LEU 56 2HD1 LEU 56 10.492 16.078 -6.071 451 HD13 LEU 56 3HD1 LEU 56 11.094 17.725 -6.291 452 HD21 LEU 56 3HD2 LEU 56 11.892 18.103 -3.283 453 HD22 LEU 56 1HD2 LEU 56 12.797 18.613 -4.704 454 HD23 LEU 56 2HD2 LEU 56 13.547 17.545 -3.527 455 H LEU 57 H LEU 57 12.463 15.316 -0.751 456 HA LEU 57 HA LEU 57 12.604 12.556 0.124 457 HB2 LEU 57 2HB LEU 57 13.563 14.608 1.373 458 HB3 LEU 57 1HB LEU 57 11.919 15.057 1.681 459 HG LEU 57 HG LEU 57 13.078 14.016 3.620 460 HD11 LEU 57 1HD1 LEU 57 10.688 12.494 2.633 461 HD12 LEU 57 2HD1 LEU 57 10.671 13.982 3.580 462 HD13 LEU 57 3HD1 LEU 57 11.300 12.492 4.285 463 HD21 LEU 57 3HD2 LEU 57 14.443 12.405 2.454 464 HD22 LEU 57 1HD2 LEU 57 13.004 11.531 1.928 465 HD23 LEU 57 2HD2 LEU 57 13.422 11.597 3.641 466 H ALA 58 H ALA 58 10.810 11.354 0.352 467 HA ALA 58 HA ALA 58 8.194 12.670 0.083 468 HB1 ALA 58 1HB ALA 58 9.057 9.938 -0.878 469 HB2 ALA 58 2HB ALA 58 8.765 11.356 -1.890 470 HB3 ALA 58 3HB ALA 58 7.430 10.603 -1.020 471 HA PRO 59 HA PRO 59 6.929 10.669 3.924 472 HB2 PRO 59 2HB PRO 59 4.382 9.948 2.617 473 HB3 PRO 59 1HB PRO 59 4.663 10.970 4.030 474 HG2 PRO 59 2HG PRO 59 3.908 12.035 1.710 475 HG3 PRO 59 1HG PRO 59 5.091 12.845 2.756 476 HD2 PRO 59 2HD PRO 59 5.568 11.206 0.290 477 HD3 PRO 59 1HD PRO 59 6.293 12.758 0.774 478 H ASN 60 H ASN 60 6.305 8.634 4.813 479 HA ASN 60 HA ASN 60 6.477 6.378 2.959 480 HB2 ASN 60 2HB ASN 60 8.085 5.207 4.387 481 HB3 ASN 60 1HB ASN 60 8.741 6.726 3.792 482 HD21 ASN 60 1HD2 ASN 60 9.417 5.084 6.102 483 HD22 ASN 60 2HD2 ASN 60 9.350 6.157 7.456 484 H GLU 61 H GLU 61 5.350 7.682 6.001 485 HA GLU 61 HA GLU 61 4.018 5.157 6.505 486 HB2 GLU 61 2HB GLU 61 5.310 6.210 8.362 487 HB3 GLU 61 1HB GLU 61 4.229 7.595 8.285 488 HG2 GLU 61 2HG GLU 61 2.351 6.214 8.905 489 HG3 GLU 61 1HG GLU 61 3.366 4.776 8.880 490 H TYR 62 H TYR 62 2.194 5.000 5.513 491 HA TYR 62 HA TYR 62 0.569 7.403 5.172 492 HB2 TYR 62 2HB TYR 62 0.718 4.923 3.482 493 HB3 TYR 62 1HB TYR 62 -0.486 6.187 3.258 494 HD1 TYR 62 2HD TYR 62 3.113 5.413 3.054 495 HD2 TYR 62 1HD TYR 62 0.070 8.240 2.173 496 HE1 TYR 62 2HE TYR 62 4.688 6.662 1.657 497 HE2 TYR 62 1HE TYR 62 1.646 9.505 0.772 498 HH TYR 62 HH TYR 62 4.779 8.258 -0.022 499 H ILE 63 H ILE 63 -1.038 7.482 6.396 500 HA ILE 63 HA ILE 63 -2.206 5.013 7.465 501 HB ILE 63 HB ILE 63 -2.523 7.832 8.534 502 HG12 ILE 63 2HG1 ILE 63 -0.181 7.170 8.773 503 HG13 ILE 63 1HG1 ILE 63 -0.966 7.175 10.350 504 HG21 ILE 63 1HG2 ILE 63 -3.232 5.162 9.733 505 HG22 ILE 63 2HG2 ILE 63 -4.359 6.380 9.132 506 HG23 ILE 63 3HG2 ILE 63 -3.366 6.716 10.553 507 HD11 ILE 63 3HD1 ILE 63 -0.327 4.754 8.671 508 HD12 ILE 63 1HD1 ILE 63 -1.142 4.732 10.236 509 HD13 ILE 63 2HD1 ILE 63 0.527 5.284 10.121 510 H ILE 64 H ILE 64 -3.937 4.452 6.298 511 HA ILE 64 HA ILE 64 -5.571 6.589 5.171 512 HB ILE 64 HB ILE 64 -5.503 3.638 4.482 513 HG12 ILE 64 2HG1 ILE 64 -3.409 4.817 3.879 514 HG13 ILE 64 1HG1 ILE 64 -4.286 4.284 2.436 515 HG21 ILE 64 1HG2 ILE 64 -6.887 5.947 3.105 516 HG22 ILE 64 2HG2 ILE 64 -7.670 4.686 4.052 517 HG23 ILE 64 3HG2 ILE 64 -6.862 4.275 2.534 518 HD11 ILE 64 3HD1 ILE 64 -3.333 6.451 2.115 519 HD12 ILE 64 1HD1 ILE 64 -4.079 7.047 3.598 520 HD13 ILE 64 2HD1 ILE 64 -5.088 6.622 2.216 521 H THR 65 H THR 65 -7.429 6.955 6.146 522 HA THR 65 HA THR 65 -8.412 4.873 7.953 523 HB THR 65 HB THR 65 -8.855 7.856 8.203 524 HG1 THR 65 1HG THR 65 -6.667 6.648 8.521 525 HG21 THR 65 3HG2 THR 65 -9.289 5.562 10.138 526 HG22 THR 65 1HG2 THR 65 -10.561 6.398 9.258 527 HG23 THR 65 2HG2 THR 65 -9.611 7.261 10.460 528 H LEU 66 H LEU 66 -10.234 4.037 7.426 529 HA LEU 66 HA LEU 66 -12.109 5.417 5.625 530 HB2 LEU 66 2HB LEU 66 -11.387 2.555 6.066 531 HB3 LEU 66 1HB LEU 66 -13.062 2.901 5.720 532 HG LEU 66 HG LEU 66 -11.792 2.206 3.723 533 HD11 LEU 66 1HD1 LEU 66 -13.714 3.414 3.331 534 HD12 LEU 66 2HD1 LEU 66 -12.480 4.104 2.265 535 HD13 LEU 66 3HD1 LEU 66 -12.948 4.926 3.763 536 HD21 LEU 66 3HD2 LEU 66 -10.173 3.754 2.704 537 HD22 LEU 66 1HD2 LEU 66 -9.608 3.132 4.257 538 HD23 LEU 66 2HD2 LEU 66 -10.260 4.765 4.148 539 H GLY 67 H GLY 67 -14.400 5.111 6.152 540 HA2 GLY 67 2HA GLY 67 -15.019 5.478 8.878 541 HA3 GLY 67 1HA GLY 67 -16.178 5.114 7.596 542 H VAL 68 H VAL 68 -16.049 4.035 10.311 543 HA VAL 68 HA VAL 68 -14.944 1.468 10.341 544 HB VAL 68 HB VAL 68 -15.607 2.595 12.392 545 HG11 VAL 68 1HG1 VAL 68 -18.460 2.140 11.548 546 HG12 VAL 68 2HG1 VAL 68 -17.643 3.691 11.709 547 HG13 VAL 68 3HG1 VAL 68 -17.948 2.703 13.140 548 HG21 VAL 68 3HG2 VAL 68 -16.676 0.707 13.571 549 HG22 VAL 68 1HG2 VAL 68 -15.347 0.211 12.522 550 HG23 VAL 68 2HG2 VAL 68 -17.015 -0.037 12.006 551 H HIS 69 H HIS 69 -18.095 2.532 9.220 552 HA HIS 69 HA HIS 69 -19.026 -0.130 8.811 553 HB2 HIS 69 2HB HIS 69 -20.568 1.823 9.172 554 HB3 HIS 69 1HB HIS 69 -20.110 2.425 7.586 555 HD1 HIS 69 1HD HIS 69 -21.149 -1.130 8.595 556 HD2 HIS 69 2HD HIS 69 -22.270 1.967 6.050 557 HE1 HIS 69 1HE HIS 69 -23.076 -1.999 7.243 558 H ASP 70 H ASP 70 -17.099 2.097 7.025 559 HA ASP 70 HA ASP 70 -17.440 0.667 4.596 560 HB2 ASP 70 2HB ASP 70 -15.674 2.969 5.305 561 HB3 ASP 70 1HB ASP 70 -15.368 2.038 3.838 562 H PHE 71 H PHE 71 -15.234 0.695 7.224 563 HA PHE 71 HA PHE 71 -13.184 -0.848 6.187 564 HB2 PHE 71 2HB PHE 71 -13.252 0.350 8.413 565 HB3 PHE 71 1HB PHE 71 -14.253 -0.964 9.013 566 HD1 PHE 71 2HD PHE 71 -10.958 0.003 7.861 567 HD2 PHE 71 1HD PHE 71 -13.310 -3.108 9.493 568 HE1 PHE 71 2HE PHE 71 -8.903 -1.255 8.385 569 HE2 PHE 71 1HE PHE 71 -11.273 -4.390 10.029 570 HZ PHE 71 HZ PHE 71 -9.068 -3.461 9.471 571 H GLU 72 H GLU 72 -16.336 -1.683 7.489 572 HA GLU 72 HA GLU 72 -16.135 -4.436 7.546 573 HB2 GLU 72 2HB GLU 72 -18.510 -2.738 6.843 574 HB3 GLU 72 1HB GLU 72 -18.571 -4.457 7.204 575 HG2 GLU 72 2HG GLU 72 -17.665 -3.999 9.433 576 HG3 GLU 72 1HG GLU 72 -17.677 -2.276 9.070 577 H LYS 73 H LYS 73 -16.586 -2.371 4.684 578 HA LYS 73 HA LYS 73 -17.088 -4.672 3.007 579 HB2 LYS 73 2HB LYS 73 -16.638 -1.763 2.311 580 HB3 LYS 73 1HB LYS 73 -16.575 -2.996 1.091 581 HG2 LYS 73 2HG LYS 73 -18.750 -2.008 0.992 582 HG3 LYS 73 1HG LYS 73 -18.936 -3.629 1.644 583 HD2 LYS 73 2HD LYS 73 -20.353 -2.063 2.837 584 HD3 LYS 73 1HD LYS 73 -19.090 -2.664 3.908 585 HE2 LYS 73 2HE LYS 73 -19.279 -0.310 4.267 586 HE3 LYS 73 1HE LYS 73 -17.783 -0.664 3.402 587 HZ1 LYS 73 3HZ LYS 73 -18.783 1.276 2.485 588 HZ2 LYS 73 1HZ LYS 73 -20.261 0.495 2.258 589 HZ3 LYS 73 2HZ LYS 73 -18.965 0.040 1.326 590 H LEU 74 H LEU 74 -14.364 -2.822 4.044 591 HA LEU 74 HA LEU 74 -12.474 -3.643 2.097 592 HB2 LEU 74 2HB LEU 74 -11.932 -3.027 5.006 593 HB3 LEU 74 1HB LEU 74 -10.744 -3.062 3.727 594 HG LEU 74 HG LEU 74 -12.952 -1.039 4.078 595 HD11 LEU 74 1HD1 LEU 74 -9.957 -0.811 4.307 596 HD12 LEU 74 2HD1 LEU 74 -11.100 -0.806 5.643 597 HD13 LEU 74 3HD1 LEU 74 -11.105 0.514 4.478 598 HD21 LEU 74 3HD2 LEU 74 -12.553 -1.443 1.694 599 HD22 LEU 74 1HD2 LEU 74 -10.821 -1.205 1.941 600 HD23 LEU 74 2HD2 LEU 74 -11.939 0.135 2.178 601 H GLY 75 H GLY 75 -13.539 -5.065 5.121 602 HA2 GLY 75 2HA GLY 75 -13.679 -7.578 4.714 603 HA3 GLY 75 1HA GLY 75 -11.926 -7.434 4.560 604 H ALA 76 H ALA 76 -11.943 -8.948 6.345 605 HA ALA 76 HA ALA 76 -12.693 -7.812 8.912 606 HB1 ALA 76 1HB ALA 76 -12.181 -10.035 9.811 607 HB2 ALA 76 2HB ALA 76 -11.596 -10.543 8.229 608 HB3 ALA 76 3HB ALA 76 -13.299 -10.152 8.451 609 H ASP 77 H ASP 77 -9.934 -8.598 6.983 610 HA ASP 77 HA ASP 77 -8.207 -7.642 9.147 611 HB2 ASP 77 2HB ASP 77 -6.449 -9.010 8.422 612 HB3 ASP 77 1HB ASP 77 -7.846 -10.038 8.149 613 HA PRO 78 HA PRO 78 -7.304 -4.304 6.266 614 HB2 PRO 78 2HB PRO 78 -5.625 -2.953 7.888 615 HB3 PRO 78 1HB PRO 78 -7.376 -2.893 8.101 616 HG2 PRO 78 2HG PRO 78 -5.340 -4.491 9.597 617 HG3 PRO 78 1HG PRO 78 -6.757 -3.635 10.222 618 HD2 PRO 78 2HD PRO 78 -6.677 -6.325 9.774 619 HD3 PRO 78 1HD PRO 78 -8.174 -5.369 9.721 620 H GLU 79 H GLU 79 -5.212 -6.450 7.899 621 HA GLU 79 HA GLU 79 -2.654 -5.566 7.459 622 HB2 GLU 79 2HB GLU 79 -3.535 -8.416 7.594 623 HB3 GLU 79 1HB GLU 79 -1.932 -7.792 7.954 624 HG2 GLU 79 2HG GLU 79 -2.827 -6.547 9.842 625 HG3 GLU 79 1HG GLU 79 -4.446 -7.150 9.478 626 H LEU 80 H LEU 80 -4.343 -8.021 5.417 627 HA LEU 80 HA LEU 80 -2.058 -8.368 3.794 628 HB2 LEU 80 2HB LEU 80 -3.922 -10.023 4.028 629 HB3 LEU 80 1HB LEU 80 -4.923 -8.975 3.046 630 HG LEU 80 HG LEU 80 -3.304 -9.260 1.172 631 HD11 LEU 80 1HD1 LEU 80 -1.682 -11.085 1.280 632 HD12 LEU 80 2HD1 LEU 80 -2.067 -11.327 2.982 633 HD13 LEU 80 3HD1 LEU 80 -1.317 -9.822 2.455 634 HD21 LEU 80 3HD2 LEU 80 -4.501 -11.794 2.282 635 HD22 LEU 80 1HD2 LEU 80 -3.972 -11.552 0.616 636 HD23 LEU 80 2HD2 LEU 80 -5.315 -10.608 1.254 637 H LYS 81 H LYS 81 -4.689 -6.179 3.677 638 HA LYS 81 HA LYS 81 -4.183 -5.285 0.988 639 HB2 LYS 81 2HB LYS 81 -5.840 -3.965 3.161 640 HB3 LYS 81 1HB LYS 81 -5.772 -3.444 1.493 641 HG2 LYS 81 2HG LYS 81 -7.809 -4.603 1.713 642 HG3 LYS 81 1HG LYS 81 -6.734 -5.729 0.892 643 HD2 LYS 81 2HD LYS 81 -6.383 -6.937 2.969 644 HD3 LYS 81 1HD LYS 81 -7.338 -5.747 3.858 645 HE2 LYS 81 2HE LYS 81 -9.294 -6.346 2.434 646 HE3 LYS 81 1HE LYS 81 -8.319 -7.615 1.699 647 HZ1 LYS 81 3HZ LYS 81 -8.140 -8.698 3.838 648 HZ2 LYS 81 1HZ LYS 81 -9.763 -8.412 3.493 649 HZ3 LYS 81 2HZ LYS 81 -8.908 -7.441 4.602 650 H SER 82 H SER 82 -3.275 -4.393 4.208 651 HA SER 82 HA SER 82 -2.272 -1.798 3.706 652 HB2 SER 82 2HB SER 82 -1.534 -3.755 5.907 653 HB3 SER 82 1HB SER 82 -1.205 -2.024 5.917 654 HG SER 82 HG SER 82 -3.812 -3.109 5.695 655 H THR 83 H THR 83 -0.619 -4.935 4.130 656 HA THR 83 HA THR 83 1.968 -4.040 3.651 657 HB THR 83 HB THR 83 0.909 -6.808 3.069 658 HG1 THR 83 1HG THR 83 0.584 -7.049 5.131 659 HG21 THR 83 3HG2 THR 83 3.125 -7.501 3.869 660 HG22 THR 83 1HG2 THR 83 3.546 -5.820 4.200 661 HG23 THR 83 2HG2 THR 83 3.294 -6.354 2.542 662 H GLY 84 H GLY 84 -0.532 -5.251 1.447 663 HA2 GLY 84 2HA GLY 84 1.120 -5.523 -0.832 664 HA3 GLY 84 1HA GLY 84 -0.635 -5.418 -0.828 665 H PHE 85 H PHE 85 -0.994 -2.903 0.286 666 HA PHE 85 HA PHE 85 -0.543 -1.337 -2.035 667 HB2 PHE 85 2HB PHE 85 -2.340 -1.224 0.021 668 HB3 PHE 85 1HB PHE 85 -1.267 0.116 0.422 669 HD1 PHE 85 2HD PHE 85 -0.807 1.848 -1.407 670 HD2 PHE 85 1HD PHE 85 -3.969 -0.990 -1.597 671 HE1 PHE 85 2HE PHE 85 -1.948 3.227 -3.102 672 HE2 PHE 85 1HE PHE 85 -5.103 0.377 -3.294 673 HZ PHE 85 HZ PHE 85 -4.096 2.486 -4.042 674 H ALA 86 H ALA 86 1.034 -1.639 1.059 675 HA ALA 86 HA ALA 86 2.701 0.630 0.954 676 HB1 ALA 86 1HB ALA 86 4.101 -0.544 2.580 677 HB2 ALA 86 2HB ALA 86 3.261 -2.053 2.223 678 HB3 ALA 86 3HB ALA 86 2.393 -0.720 2.984 679 H ARG 87 H ARG 87 3.102 -2.640 -0.229 680 HA ARG 87 HA ARG 87 5.704 -2.592 -1.210 681 HB2 ARG 87 2HB ARG 87 4.374 -4.621 -1.111 682 HB3 ARG 87 1HB ARG 87 3.243 -3.966 -2.287 683 HG2 ARG 87 2HG ARG 87 5.264 -3.834 -3.858 684 HG3 ARG 87 1HG ARG 87 6.049 -4.920 -2.712 685 HD2 ARG 87 2HD ARG 87 4.234 -6.529 -2.991 686 HD3 ARG 87 1HD ARG 87 3.435 -5.437 -4.124 687 HE ARG 87 HE ARG 87 5.888 -6.946 -4.556 688 HH11 ARG 87 1HH1 ARG 87 3.476 -4.648 -5.935 689 HH12 ARG 87 2HH1 ARG 87 3.892 -5.032 -7.525 690 HH21 ARG 87 1HH2 ARG 87 6.433 -7.384 -6.786 691 HH22 ARG 87 2HH2 ARG 87 5.588 -6.607 -8.035 692 H ASP 88 H ASP 88 2.673 -1.889 -2.876 693 HA ASP 88 HA ASP 88 3.899 -1.268 -5.343 694 HB2 ASP 88 2HB ASP 88 1.089 -0.721 -4.384 695 HB3 ASP 88 1HB ASP 88 1.640 -0.488 -6.036 696 H LEU 89 H LEU 89 2.973 0.669 -2.607 697 HA LEU 89 HA LEU 89 3.243 3.136 -4.001 698 HB2 LEU 89 2HB LEU 89 1.883 2.721 -1.880 699 HB3 LEU 89 1HB LEU 89 3.388 2.697 -1.005 700 HG LEU 89 HG LEU 89 2.095 4.822 -0.797 701 HD11 LEU 89 1HD1 LEU 89 3.940 6.378 -1.169 702 HD12 LEU 89 2HD1 LEU 89 4.805 5.117 -2.058 703 HD13 LEU 89 3HD1 LEU 89 4.449 4.907 -0.344 704 HD21 LEU 89 3HD2 LEU 89 1.201 4.873 -3.071 705 HD22 LEU 89 1HD2 LEU 89 2.808 5.224 -3.695 706 HD23 LEU 89 2HD2 LEU 89 2.000 6.388 -2.644 707 H ALA 90 H ALA 90 5.382 1.075 -2.084 708 HA ALA 90 HA ALA 90 7.610 2.797 -1.945 709 HB1 ALA 90 1HB ALA 90 8.935 0.764 -1.559 710 HB2 ALA 90 2HB ALA 90 7.580 -0.226 -2.100 711 HB3 ALA 90 3HB ALA 90 7.440 0.722 -0.622 712 H ASP 91 H ASP 91 6.512 0.557 -4.314 713 HA ASP 91 HA ASP 91 8.628 0.734 -6.187 714 HB2 ASP 91 2HB ASP 91 7.027 -1.064 -6.351 715 HB3 ASP 91 1HB ASP 91 5.691 0.067 -6.476 716 H TYR 92 H TYR 92 5.557 2.458 -5.940 717 HA TYR 92 HA TYR 92 5.791 4.205 -8.070 718 HB2 TYR 92 2HB TYR 92 4.199 4.123 -5.634 719 HB3 TYR 92 1HB TYR 92 4.539 5.761 -6.164 720 HD1 TYR 92 1HD TYR 92 3.885 6.457 -8.461 721 HD2 TYR 92 2HD TYR 92 2.599 2.779 -6.764 722 HE1 TYR 92 1HE TYR 92 2.083 6.339 -10.121 723 HE2 TYR 92 2HE TYR 92 0.791 2.639 -8.426 724 HH TYR 92 HH TYR 92 0.712 4.654 -11.174 725 H ILE 93 H ILE 93 6.954 4.763 -4.735 726 HA ILE 93 HA ILE 93 7.875 7.366 -5.390 727 HB ILE 93 HB ILE 93 9.171 7.387 -3.296 728 HG12 ILE 93 2HG1 ILE 93 8.191 4.544 -2.907 729 HG13 ILE 93 1HG1 ILE 93 9.833 4.980 -3.334 730 HG21 ILE 93 1HG2 ILE 93 6.371 6.323 -3.014 731 HG22 ILE 93 2HG2 ILE 93 6.832 8.005 -3.251 732 HG23 ILE 93 3HG2 ILE 93 7.266 7.174 -1.756 733 HD11 ILE 93 3HD1 ILE 93 10.085 6.180 -1.227 734 HD12 ILE 93 1HD1 ILE 93 9.631 4.496 -0.958 735 HD13 ILE 93 2HD1 ILE 93 8.425 5.776 -0.795 736 H GLN 94 H GLN 94 9.397 4.244 -5.627 737 HA GLN 94 HA GLN 94 12.008 5.193 -6.124 738 HB2 GLN 94 2HB GLN 94 10.649 2.678 -7.074 739 HB3 GLN 94 1HB GLN 94 12.353 3.022 -7.333 740 HG2 GLN 94 2HG GLN 94 12.554 3.217 -4.809 741 HG3 GLN 94 1HG GLN 94 10.905 2.619 -4.712 742 HE21 GLN 94 1HE2 GLN 94 11.319 0.720 -6.966 743 HE22 GLN 94 2HE2 GLN 94 12.298 -0.523 -6.332 744 H GLU 95 H GLU 95 9.324 4.413 -8.235 745 HA GLU 95 HA GLU 95 10.445 5.035 -10.654 746 HB2 GLU 95 2HB GLU 95 7.766 4.715 -9.603 747 HB3 GLU 95 1HB GLU 95 7.821 5.889 -10.906 748 HG2 GLU 95 2HG GLU 95 8.940 3.111 -11.106 749 HG3 GLU 95 1HG GLU 95 7.306 3.590 -11.590 750 H GLN 96 H GLN 96 8.858 7.150 -8.338 751 HA GLN 96 HA GLN 96 8.929 9.465 -10.017 752 HB2 GLN 96 2HB GLN 96 8.613 9.381 -7.023 753 HB3 GLN 96 1HB GLN 96 8.175 10.703 -8.094 754 HG2 GLN 96 2HG GLN 96 6.925 7.979 -8.007 755 HG3 GLN 96 1HG GLN 96 6.222 9.479 -7.411 756 HE21 GLN 96 1HE2 GLN 96 5.390 7.546 -9.423 757 HE22 GLN 96 2HE2 GLN 96 5.133 8.430 -10.883 758 H GLY 97 H GLY 97 11.288 7.933 -8.137 759 HA2 GLY 97 2HA GLY 97 13.529 8.467 -7.939 760 HA3 GLY 97 1HA GLY 97 13.191 10.009 -8.714 761 H TRP 98 H TRP 98 11.420 8.906 -5.923 762 HA TRP 98 HA TRP 98 12.592 11.134 -4.416 763 HB2 TRP 98 2HB TRP 98 10.005 9.636 -3.932 764 HB3 TRP 98 1HB TRP 98 10.601 10.993 -2.997 765 HD1 TRP 98 HD TRP 98 11.383 12.783 -5.673 766 HE1 TRP 98 1HE TRP 98 9.428 13.917 -6.922 767 HE3 TRP 98 3HE TRP 98 7.511 9.921 -3.948 768 HZ2 TRP 98 2HZ TRP 98 6.645 13.652 -7.138 769 HZ3 TRP 98 3HZ TRP 98 5.230 10.437 -4.720 770 HH2 TRP 98 HH TRP 98 4.810 12.264 -6.279 771 H GLN 99 H GLN 99 13.015 10.737 -2.127 772 HA GLN 99 HA GLN 99 13.269 7.898 -1.537 773 HB2 GLN 99 2HB GLN 99 15.403 8.071 -0.553 774 HB3 GLN 99 1HB GLN 99 15.554 8.824 -2.137 775 HG2 GLN 99 2HG GLN 99 15.512 11.017 -1.031 776 HG3 GLN 99 1HG GLN 99 15.322 10.218 0.531 777 HE21 GLN 99 1HE2 GLN 99 17.463 11.960 -0.237 778 HE22 GLN 99 2HE2 GLN 99 18.908 11.040 -0.088 779 H THR 100 H THR 100 13.628 7.515 0.854 780 HA THR 100 HA THR 100 12.608 9.533 2.573 781 HB THR 100 HB THR 100 10.538 8.535 1.520 782 HG1 THR 100 1HG THR 100 9.839 9.154 3.320 783 HG21 THR 100 3HG2 THR 100 11.408 6.005 2.952 784 HG22 THR 100 1HG2 THR 100 11.378 6.237 1.202 785 HG23 THR 100 2HG2 THR 100 9.873 6.244 2.112 786 H TYR 101 H TYR 101 12.297 8.213 4.837 787 HA TYR 101 HA TYR 101 14.687 6.515 5.007 788 HB2 TYR 101 2HB TYR 101 13.750 8.501 7.090 789 HB3 TYR 101 1HB TYR 101 15.189 7.486 7.193 790 HD1 TYR 101 2HD TYR 101 16.764 7.754 4.992 791 HD2 TYR 101 1HD TYR 101 14.108 10.708 6.524 792 HE1 TYR 101 2HE TYR 101 18.049 9.501 3.842 793 HE2 TYR 101 1HE TYR 101 15.393 12.461 5.375 794 HH TYR 101 HH TYR 101 17.577 12.825 4.495 795 H GLY 102 H GLY 102 14.300 4.587 5.714 796 HA2 GLY 102 2HA GLY 102 13.312 3.061 7.289 797 HA3 GLY 102 1HA GLY 102 11.869 4.088 7.300 798 H ASP 103 H ASP 103 10.520 2.277 6.612 799 HA ASP 103 HA ASP 103 10.793 2.019 3.745 800 HB2 ASP 103 2HB ASP 103 10.272 -0.292 3.676 801 HB3 ASP 103 1HB ASP 103 11.436 -0.151 4.975 802 H VAL 104 H VAL 104 8.683 1.398 2.736 803 HA VAL 104 HA VAL 104 6.838 3.363 3.702 804 HB VAL 104 HB VAL 104 6.671 1.553 1.277 805 HG11 VAL 104 1HG1 VAL 104 4.431 2.257 2.006 806 HG12 VAL 104 2HG1 VAL 104 4.893 3.025 0.492 807 HG13 VAL 104 3HG1 VAL 104 4.963 3.942 2.002 808 HG21 VAL 104 3HG2 VAL 104 7.226 3.597 0.040 809 HG22 VAL 104 1HG2 VAL 104 8.504 3.139 1.168 810 HG23 VAL 104 2HG2 VAL 104 7.401 4.458 1.567 811 H VAL 105 H VAL 105 5.257 3.046 4.998 812 HA VAL 105 HA VAL 105 4.031 0.411 5.108 813 HB VAL 105 HB VAL 105 3.544 0.814 7.554 814 HG11 VAL 105 1HG1 VAL 105 5.326 -0.685 6.877 815 HG12 VAL 105 2HG1 VAL 105 5.776 0.189 8.342 816 HG13 VAL 105 3HG1 VAL 105 6.450 0.669 6.782 817 HG21 VAL 105 3HG2 VAL 105 5.605 3.007 7.260 818 HG22 VAL 105 1HG2 VAL 105 4.923 2.432 8.784 819 HG23 VAL 105 2HG2 VAL 105 3.890 3.236 7.597 820 H VAL 106 H VAL 106 2.019 0.428 4.579 821 HA VAL 106 HA VAL 106 0.471 2.911 4.846 822 HB VAL 106 HB VAL 106 0.090 0.658 2.828 823 HG11 VAL 106 1HG1 VAL 106 -1.341 3.302 3.080 824 HG12 VAL 106 2HG1 VAL 106 -2.016 1.709 3.419 825 HG13 VAL 106 3HG1 VAL 106 -1.560 2.141 1.771 826 HG21 VAL 106 3HG2 VAL 106 2.085 2.019 2.346 827 HG22 VAL 106 1HG2 VAL 106 1.090 3.466 2.308 828 HG23 VAL 106 2HG2 VAL 106 0.845 2.201 1.107 829 H ARG 107 H ARG 107 -1.221 2.695 6.208 830 HA ARG 107 HA ARG 107 -2.130 -0.056 6.783 831 HB2 ARG 107 2HB ARG 107 -2.211 2.257 8.714 832 HB3 ARG 107 1HB ARG 107 -2.788 0.635 9.006 833 HG2 ARG 107 2HG ARG 107 -0.365 -0.092 8.676 834 HG3 ARG 107 1HG ARG 107 0.032 1.624 8.826 835 HD2 ARG 107 2HD ARG 107 -1.211 -0.209 10.857 836 HD3 ARG 107 1HD ARG 107 0.215 0.809 11.027 837 HE ARG 107 HE ARG 107 -2.577 1.722 10.971 838 HH11 ARG 107 1HH1 ARG 107 0.767 2.226 12.018 839 HH12 ARG 107 2HH1 ARG 107 0.457 3.657 12.878 840 HH21 ARG 107 1HH2 ARG 107 -3.056 3.710 12.199 841 HH22 ARG 107 2HH2 ARG 107 -1.791 4.490 13.007 842 H PHE 108 H PHE 108 -4.319 -0.314 7.161 843 HA PHE 108 HA PHE 108 -6.011 1.928 6.331 844 HB2 PHE 108 2HB PHE 108 -6.411 -1.044 5.859 845 HB3 PHE 108 1HB PHE 108 -7.636 0.174 5.548 846 HD1 PHE 108 2HD PHE 108 -7.404 1.726 3.690 847 HD2 PHE 108 1HD PHE 108 -4.525 -1.327 4.382 848 HE1 PHE 108 2HE PHE 108 -6.523 2.049 1.418 849 HE2 PHE 108 1HE PHE 108 -3.635 -1.006 2.109 850 HZ PHE 108 HZ PHE 108 -4.634 0.684 0.625 851 H GLU 109 H GLU 109 -7.070 2.658 8.031 852 HA GLU 109 HA GLU 109 -7.919 0.678 9.984 853 HB2 GLU 109 2HB GLU 109 -7.545 2.295 11.814 854 HB3 GLU 109 1HB GLU 109 -6.073 1.776 11.025 855 HG2 GLU 109 2HG GLU 109 -5.885 3.858 9.866 856 HG3 GLU 109 1HG GLU 109 -7.466 4.377 10.454 857 H GLN 110 H GLN 110 -9.522 1.690 11.565 858 HA GLN 110 HA GLN 110 -11.677 2.792 9.893 859 HB2 GLN 110 2HB GLN 110 -13.200 1.672 11.449 860 HB3 GLN 110 1HB GLN 110 -12.094 0.523 10.703 861 HG2 GLN 110 2HG GLN 110 -10.709 0.575 12.706 862 HG3 GLN 110 1HG GLN 110 -11.816 1.707 13.455 863 HE21 GLN 110 1HE2 GLN 110 -12.243 0.358 15.150 864 HE22 GLN 110 2HE2 GLN 110 -13.193 -1.072 15.034 865 H SER 111 H SER 111 -13.108 4.238 10.893 866 HA SER 111 HA SER 111 -12.621 5.171 13.553 867 HB2 SER 111 2HB SER 111 -12.436 6.922 11.112 868 HB3 SER 111 1HB SER 111 -12.804 7.542 12.717 869 HG SER 111 HG SER 111 -10.644 5.885 12.700 870 H SER 112 H SER 112 -14.494 5.748 14.507 871 HA SER 112 HA SER 112 -16.971 5.396 13.089 872 HB2 SER 112 2HB SER 112 -16.462 6.396 15.901 873 HB3 SER 112 1HB SER 112 -17.966 5.723 15.268 874 HG SER 112 HG SER 112 -16.788 4.220 16.470 875 H ASN 113 H ASN 113 -14.801 7.842 13.901 876 HA ASN 113 HA ASN 113 -16.300 10.222 13.848 877 HB2 ASN 113 2HB ASN 113 -13.983 10.023 14.660 878 HB3 ASN 113 1HB ASN 113 -13.439 9.654 13.035 879 HD21 ASN 113 1HD2 ASN 113 -12.031 11.346 12.985 880 HD22 ASN 113 2HD2 ASN 113 -12.545 12.997 12.856 881 H LEU 114 H LEU 114 -15.166 8.092 11.362 882 HA LEU 114 HA LEU 114 -15.915 10.022 9.319 883 HB2 LEU 114 2HB LEU 114 -14.307 7.488 9.127 884 HB3 LEU 114 1HB LEU 114 -14.834 8.410 7.732 885 HG LEU 114 HG LEU 114 -12.936 9.350 9.883 886 HD11 LEU 114 1HD1 LEU 114 -11.989 7.719 8.345 887 HD12 LEU 114 2HD1 LEU 114 -11.294 9.322 8.091 888 HD13 LEU 114 3HD1 LEU 114 -12.517 8.698 6.979 889 HD21 LEU 114 3HD2 LEU 114 -14.286 11.201 9.095 890 HD22 LEU 114 1HD2 LEU 114 -13.978 10.736 7.421 891 HD23 LEU 114 2HD2 LEU 114 -12.655 11.318 8.431 892 H HIS 115 H HIS 115 -17.644 9.782 8.219 893 HA HIS 115 HA HIS 115 -19.318 7.548 8.874 894 HB2 HIS 115 2HB HIS 115 -19.903 10.063 7.306 895 HB3 HIS 115 1HB HIS 115 -21.089 8.797 7.608 896 HD1 HIS 115 1HD HIS 115 -20.000 11.972 8.961 897 HD2 HIS 115 2HD HIS 115 -21.408 8.395 10.558 898 HE1 HIS 115 1HE HIS 115 -20.787 12.505 11.264 899 H THR 116 H THR 116 -20.593 6.561 7.068 900 HA THR 116 HA THR 116 -18.943 5.159 5.376 901 HB THR 116 HB THR 116 -21.886 5.676 4.998 902 HG1 THR 116 1HG THR 116 -20.387 4.331 6.921 903 HG21 THR 116 3HG2 THR 116 -20.792 4.377 3.203 904 HG22 THR 116 1HG2 THR 116 -21.883 3.369 4.151 905 HG23 THR 116 2HG2 THR 116 -20.140 3.266 4.411 906 H GLY 117 H GLY 117 -18.003 5.648 3.549 907 HA2 GLY 117 2HA GLY 117 -18.107 6.402 1.245 908 HA3 GLY 117 1HA GLY 117 -19.143 7.722 1.773 909 H GLN 118 H GLN 118 -17.281 7.919 4.177 910 HA GLN 118 HA GLN 118 -15.435 9.739 2.844 911 HB2 GLN 118 2HB GLN 118 -16.498 9.678 5.650 912 HB3 GLN 118 1HB GLN 118 -15.154 10.700 5.166 913 HG2 GLN 118 2HG GLN 118 -16.584 11.817 3.544 914 HG3 GLN 118 1HG GLN 118 -17.923 10.767 4.013 915 HE21 GLN 118 1HE2 GLN 118 -18.972 11.143 5.896 916 HE22 GLN 118 2HE2 GLN 118 -18.722 12.570 6.852 917 H PHE 119 H PHE 119 -13.336 9.668 3.111 918 HA PHE 119 HA PHE 119 -12.131 7.884 5.015 919 HB2 PHE 119 2HB PHE 119 -10.827 6.674 3.349 920 HB3 PHE 119 1HB PHE 119 -12.524 6.560 2.944 921 HD1 PHE 119 2HD PHE 119 -13.467 7.943 1.079 922 HD2 PHE 119 1HD PHE 119 -9.289 7.564 1.798 923 HE1 PHE 119 2HE PHE 119 -13.005 8.682 -1.222 924 HE2 PHE 119 1HE PHE 119 -8.821 8.290 -0.492 925 HZ PHE 119 HZ PHE 119 -10.679 8.858 -2.011 926 H ARG 120 H ARG 120 -9.818 8.378 5.143 927 HA ARG 120 HA ARG 120 -9.095 10.908 3.886 928 HB2 ARG 120 2HB ARG 120 -9.799 10.713 6.582 929 HB3 ARG 120 1HB ARG 120 -8.049 10.672 6.586 930 HG2 ARG 120 2HG ARG 120 -9.810 12.844 5.463 931 HG3 ARG 120 1HG ARG 120 -8.832 12.928 6.924 932 HD2 ARG 120 2HD ARG 120 -7.532 14.118 5.390 933 HD3 ARG 120 1HD ARG 120 -6.842 12.505 5.268 934 HE ARG 120 HE ARG 120 -8.947 12.940 3.371 935 HH11 ARG 120 1HH1 ARG 120 -5.424 13.390 3.823 936 HH12 ARG 120 2HH1 ARG 120 -5.095 13.676 2.204 937 HH21 ARG 120 1HH2 ARG 120 -8.492 13.372 1.136 938 HH22 ARG 120 2HH2 ARG 120 -6.907 13.755 0.621 939 H ALA 121 H ALA 121 -6.921 11.097 3.554 940 HA ALA 121 HA ALA 121 -5.371 8.657 3.948 941 HB1 ALA 121 1HB ALA 121 -5.171 10.758 1.786 942 HB2 ALA 121 2HB ALA 121 -5.860 9.145 1.597 943 HB3 ALA 121 3HB ALA 121 -4.140 9.335 1.939 944 H ARG 122 H ARG 122 -3.237 8.954 4.655 945 HA ARG 122 HA ARG 122 -2.396 11.692 5.240 946 HB2 ARG 122 2HB ARG 122 -3.420 10.934 7.283 947 HB3 ARG 122 1HB ARG 122 -2.531 9.425 7.203 948 HG2 ARG 122 2HG ARG 122 -0.439 10.609 7.555 949 HG3 ARG 122 1HG ARG 122 -1.313 12.144 7.598 950 HD2 ARG 122 2HD ARG 122 -2.517 11.478 9.506 951 HD3 ARG 122 1HD ARG 122 -1.855 9.842 9.429 952 HE ARG 122 HE ARG 122 0.340 11.357 9.680 953 HH11 ARG 122 1HH1 ARG 122 -2.705 11.434 11.449 954 HH12 ARG 122 2HH1 ARG 122 -2.024 11.743 12.978 955 HH21 ARG 122 1HH2 ARG 122 1.339 11.778 11.844 956 HH22 ARG 122 2HH2 ARG 122 0.321 11.944 13.196 957 H GLY 123 H GLY 123 -0.434 11.939 4.525 958 HA2 GLY 123 2HA GLY 123 1.333 9.582 4.457 959 HA3 GLY 123 1HA GLY 123 1.387 10.842 3.232 960 H THR 124 H THR 124 2.496 9.835 6.314 961 HA THR 124 HA THR 124 3.651 12.466 6.780 962 HB THR 124 HB THR 124 3.154 10.189 8.719 963 HG1 THR 124 1HG THR 124 1.656 12.490 7.998 964 HG21 THR 124 3HG2 THR 124 3.877 13.087 9.154 965 HG22 THR 124 1HG2 THR 124 4.944 11.702 9.379 966 HG23 THR 124 2HG2 THR 124 3.535 11.912 10.432 967 H VAL 125 H VAL 125 5.889 12.549 7.221 968 HA VAL 125 HA VAL 125 7.444 10.288 6.337 969 HB VAL 125 HB VAL 125 8.327 13.023 7.321 970 HG11 VAL 125 1HG1 VAL 125 10.491 12.475 6.318 971 HG12 VAL 125 2HG1 VAL 125 9.889 10.878 5.876 972 HG13 VAL 125 3HG1 VAL 125 10.065 11.315 7.577 973 HG21 VAL 125 3HG2 VAL 125 8.670 13.608 5.028 974 HG22 VAL 125 1HG2 VAL 125 6.996 13.109 5.232 975 HG23 VAL 125 2HG2 VAL 125 8.181 12.018 4.480 976 H ASN 126 H ASN 126 7.851 8.784 7.777 977 HA ASN 126 HA ASN 126 8.570 9.630 10.470 978 HB2 ASN 126 2HB ASN 126 6.381 8.548 10.629 979 HB3 ASN 126 1HB ASN 126 6.964 7.175 9.696 980 HD21 ASN 126 1HD2 ASN 126 6.312 5.834 11.444 981 HD22 ASN 126 2HD2 ASN 126 7.315 5.672 12.847 982 HA PRO 127 HA PRO 127 12.116 7.537 8.674 983 HB2 PRO 127 2HB PRO 127 13.974 8.635 10.321 984 HB3 PRO 127 1HB PRO 127 13.308 9.503 8.939 985 HG2 PRO 127 2HG PRO 127 12.588 9.727 11.827 986 HG3 PRO 127 1HG PRO 127 12.784 11.011 10.620 987 HD2 PRO 127 2HD PRO 127 10.373 10.028 11.409 988 HD3 PRO 127 1HD PRO 127 10.659 10.713 9.793 989 H ASP 128 H ASP 128 10.824 7.535 11.842 990 HA ASP 128 HA ASP 128 12.628 5.423 12.674 991 HB2 ASP 128 2HB ASP 128 10.649 7.017 14.310 992 HB3 ASP 128 1HB ASP 128 11.527 5.627 14.933 993 H VAL 129 H VAL 129 11.569 4.313 10.965 994 HA VAL 129 HA VAL 129 9.660 2.557 12.219 995 HB VAL 129 HB VAL 129 8.271 3.889 10.693 996 HG11 VAL 129 1HG1 VAL 129 8.605 3.879 8.269 997 HG12 VAL 129 2HG1 VAL 129 10.136 3.032 8.497 998 HG13 VAL 129 3HG1 VAL 129 9.924 4.664 9.135 999 HG21 VAL 129 3HG2 VAL 129 7.323 2.089 9.296 1000 HG22 VAL 129 1HG2 VAL 129 7.671 1.555 10.941 1001 HG23 VAL 129 2HG2 VAL 129 8.752 1.110 9.623 1002 H GLU 130 H GLU 130 10.672 0.807 12.466 1003 HA GLU 130 HA GLU 130 12.760 0.087 10.609 1004 HB2 GLU 130 2HB GLU 130 12.038 -1.053 13.314 1005 HB3 GLU 130 1HB GLU 130 13.435 -1.539 12.353 1006 HG2 GLU 130 2HG GLU 130 14.328 0.724 12.465 1007 HG3 GLU 130 1HG GLU 130 12.924 1.242 13.386 1008 H THR 131 H THR 131 12.649 -1.585 9.339 1009 HA THR 131 HA THR 131 9.996 -2.458 8.748 1010 HB THR 131 HB THR 131 11.549 -1.672 6.986 1011 HG1 THR 131 1HG THR 131 10.003 -2.891 6.173 1012 HG21 THR 131 3HG2 THR 131 13.357 -3.142 6.184 1013 HG22 THR 131 1HG2 THR 131 13.072 -4.221 7.550 1014 HG23 THR 131 2HG2 THR 131 13.652 -2.579 7.830 1015 H HIS 132 H HIS 132 10.039 -4.895 7.838 1016 HA HIS 132 HA HIS 132 11.154 -6.488 9.961 1017 HB2 HIS 132 2HB HIS 132 9.206 -8.063 9.753 1018 HB3 HIS 132 1HB HIS 132 8.809 -6.503 10.438 1019 HD1 HIS 132 1HD HIS 132 7.184 -5.003 9.041 1020 HD2 HIS 132 2HD HIS 132 7.967 -8.719 7.356 1021 HE1 HIS 132 1HE HIS 132 5.393 -5.376 7.286 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -5.705 21.993 -19.767 2 H2 MET 1 2HT MET 1 -7.140 22.452 -20.501 3 H3 MET 1 3HT MET 1 -6.247 23.601 -19.657 4 HA MET 1 HA MET 1 -6.068 23.823 -22.048 5 HB2 MET 1 2HB MET 1 -3.631 23.850 -22.249 6 HB3 MET 1 1HB MET 1 -4.103 24.461 -20.675 7 HG2 MET 1 2HG MET 1 -3.493 22.337 -19.653 8 HG3 MET 1 1HG MET 1 -3.075 21.686 -21.235 9 HE1 MET 1 2HE MET 1 -1.104 21.633 -18.707 10 HE2 MET 1 3HE MET 1 0.416 22.081 -19.483 11 HE3 MET 1 1HE MET 1 -0.688 20.968 -20.285 12 H GLY 2 H GLY 2 -5.066 22.899 -24.016 13 HA2 GLY 2 2HA GLY 2 -4.930 20.006 -23.964 14 HA3 GLY 2 1HA GLY 2 -6.134 20.765 -25.003 15 H SER 3 H SER 3 -3.776 19.175 -25.631 16 HA SER 3 HA SER 3 -2.042 21.056 -26.963 17 HB2 SER 3 2HB SER 3 -2.079 18.033 -26.911 18 HB3 SER 3 1HB SER 3 -0.758 19.047 -27.503 19 HG SER 3 HG SER 3 -1.381 19.895 -25.104 20 H GLN 4 H GLN 4 -1.765 20.941 -29.277 21 HA GLN 4 HA GLN 4 -4.239 20.158 -30.602 22 HB2 GLN 4 2HB GLN 4 -3.341 22.482 -30.919 23 HB3 GLN 4 1HB GLN 4 -1.948 21.779 -31.729 24 HG2 GLN 4 2HG GLN 4 -3.327 20.932 -33.496 25 HG3 GLN 4 1HG GLN 4 -4.785 21.422 -32.637 26 HE21 GLN 4 1HE2 GLN 4 -5.479 22.704 -34.307 27 HE22 GLN 4 2HE2 GLN 4 -4.744 24.216 -34.685 28 H LYS 5 H LYS 5 -0.806 19.509 -30.511 29 HA LYS 5 HA LYS 5 -0.962 17.537 -32.576 30 HB2 LYS 5 2HB LYS 5 1.384 16.991 -31.823 31 HB3 LYS 5 1HB LYS 5 1.167 18.672 -32.277 32 HG2 LYS 5 2HG LYS 5 0.990 19.262 -29.894 33 HG3 LYS 5 1HG LYS 5 1.288 17.578 -29.468 34 HD2 LYS 5 2HD LYS 5 3.467 17.714 -30.605 35 HD3 LYS 5 1HD LYS 5 3.132 19.410 -30.973 36 HE2 LYS 5 2HE LYS 5 4.593 19.256 -29.022 37 HE3 LYS 5 1HE LYS 5 3.025 19.914 -28.567 38 HZ1 LYS 5 3HZ LYS 5 2.426 17.635 -27.761 39 HZ2 LYS 5 1HZ LYS 5 3.741 18.295 -26.949 40 HZ3 LYS 5 2HZ LYS 5 4.002 17.147 -28.117 41 H ARG 6 H ARG 6 -2.053 15.748 -32.222 42 HA ARG 6 HA ARG 6 -2.588 14.933 -29.496 43 HB2 ARG 6 2HB ARG 6 -3.710 13.859 -32.079 44 HB3 ARG 6 1HB ARG 6 -4.266 13.459 -30.464 45 HG2 ARG 6 2HG ARG 6 -4.395 16.187 -31.732 46 HG3 ARG 6 1HG ARG 6 -5.739 15.063 -31.556 47 HD2 ARG 6 2HD ARG 6 -5.481 15.179 -29.110 48 HD3 ARG 6 1HD ARG 6 -4.172 16.339 -29.323 49 HE ARG 6 HE ARG 6 -6.162 17.477 -30.683 50 HH11 ARG 6 1HH1 ARG 6 -5.866 16.333 -27.349 51 HH12 ARG 6 2HH1 ARG 6 -7.148 17.269 -26.740 52 HH21 ARG 6 1HH2 ARG 6 -7.882 18.821 -29.867 53 HH22 ARG 6 2HH2 ARG 6 -8.330 18.726 -28.222 54 H LEU 7 H LEU 7 -1.141 13.718 -28.592 55 HA LEU 7 HA LEU 7 -0.289 11.318 -30.003 56 HB2 LEU 7 2HB LEU 7 1.502 13.134 -28.378 57 HB3 LEU 7 1HB LEU 7 1.907 11.471 -28.701 58 HG LEU 7 HG LEU 7 1.824 12.100 -31.185 59 HD11 LEU 7 1HD1 LEU 7 0.657 14.223 -30.980 60 HD12 LEU 7 2HD1 LEU 7 2.227 14.414 -31.752 61 HD13 LEU 7 3HD1 LEU 7 2.012 14.888 -30.067 62 HD21 LEU 7 3HD2 LEU 7 3.879 11.645 -29.987 63 HD22 LEU 7 1HD2 LEU 7 3.927 13.314 -29.414 64 HD23 LEU 7 2HD2 LEU 7 4.098 12.968 -31.134 65 H VAL 8 H VAL 8 -0.974 9.645 -28.942 66 HA VAL 8 HA VAL 8 -1.498 9.896 -26.101 67 HB VAL 8 HB VAL 8 -3.359 8.996 -27.423 68 HG11 VAL 8 1HG1 VAL 8 -3.224 6.825 -28.552 69 HG12 VAL 8 2HG1 VAL 8 -1.480 6.809 -28.263 70 HG13 VAL 8 3HG1 VAL 8 -2.195 8.051 -29.290 71 HG21 VAL 8 3HG2 VAL 8 -3.789 6.897 -26.204 72 HG22 VAL 8 1HG2 VAL 8 -3.156 8.161 -25.150 73 HG23 VAL 8 2HG2 VAL 8 -2.101 6.861 -25.703 74 H GLN 9 H GLN 9 -0.325 8.861 -24.606 75 HA GLN 9 HA GLN 9 1.987 7.348 -25.566 76 HB2 GLN 9 2HB GLN 9 1.607 8.963 -23.039 77 HB3 GLN 9 1HB GLN 9 3.057 8.063 -23.454 78 HG2 GLN 9 2HG GLN 9 3.534 9.487 -25.286 79 HG3 GLN 9 1HG GLN 9 1.949 10.248 -25.190 80 HE21 GLN 9 1HE2 GLN 9 4.634 11.401 -25.111 81 HE22 GLN 9 2HE2 GLN 9 4.699 12.290 -23.632 82 H ARG 10 H ARG 10 1.373 5.275 -25.470 83 HA ARG 10 HA ARG 10 -0.194 4.305 -23.252 84 HB2 ARG 10 2HB ARG 10 -0.107 2.110 -24.401 85 HB3 ARG 10 1HB ARG 10 -0.726 3.393 -25.426 86 HG2 ARG 10 2HG ARG 10 1.406 3.568 -26.535 87 HG3 ARG 10 1HG ARG 10 2.072 2.327 -25.472 88 HD2 ARG 10 2HD ARG 10 0.474 0.706 -26.339 89 HD3 ARG 10 1HD ARG 10 -0.229 1.932 -27.391 90 HE ARG 10 HE ARG 10 2.512 1.753 -27.890 91 HH11 ARG 10 1HH1 ARG 10 -0.438 -0.119 -28.378 92 HH12 ARG 10 2HH1 ARG 10 0.150 -0.974 -29.726 93 HH21 ARG 10 1HH2 ARG 10 3.347 0.576 -29.729 94 HH22 ARG 10 2HH2 ARG 10 2.366 -0.575 -30.509 95 H VAL 11 H VAL 11 0.612 3.456 -21.471 96 HA VAL 11 HA VAL 11 3.484 3.013 -21.470 97 HB VAL 11 HB VAL 11 2.690 4.709 -19.868 98 HG11 VAL 11 1HG1 VAL 11 1.132 2.492 -18.576 99 HG12 VAL 11 2HG1 VAL 11 0.487 3.931 -19.373 100 HG13 VAL 11 3HG1 VAL 11 1.405 4.087 -17.876 101 HG21 VAL 11 3HG2 VAL 11 4.717 3.494 -19.312 102 HG22 VAL 11 1HG2 VAL 11 3.765 2.235 -18.523 103 HG23 VAL 11 2HG2 VAL 11 3.805 3.865 -17.852 104 H GLU 12 H GLU 12 4.337 1.107 -20.986 105 HA GLU 12 HA GLU 12 2.509 -1.152 -20.637 106 HB2 GLU 12 2HB GLU 12 4.270 -1.321 -22.371 107 HB3 GLU 12 1HB GLU 12 5.497 -1.069 -21.142 108 HG2 GLU 12 2HG GLU 12 5.452 -3.392 -21.607 109 HG3 GLU 12 1HG GLU 12 4.701 -3.171 -20.033 110 H ARG 13 H ARG 13 2.093 -1.694 -18.576 111 HA ARG 13 HA ARG 13 4.310 -1.755 -16.705 112 HB2 ARG 13 2HB ARG 13 3.087 0.408 -16.356 113 HB3 ARG 13 1HB ARG 13 1.636 -0.515 -16.002 114 HG2 ARG 13 2HG ARG 13 2.774 -1.538 -14.066 115 HG3 ARG 13 1HG ARG 13 4.202 -0.564 -14.412 116 HD2 ARG 13 2HD ARG 13 2.779 1.470 -14.170 117 HD3 ARG 13 1HD ARG 13 1.462 0.422 -13.652 118 HE ARG 13 HE ARG 13 3.927 0.186 -12.147 119 HH11 ARG 13 1HH1 ARG 13 0.682 1.561 -12.304 120 HH12 ARG 13 2HH1 ARG 13 0.645 2.139 -10.715 121 HH21 ARG 13 1HH2 ARG 13 3.957 0.973 -9.914 122 HH22 ARG 13 2HH2 ARG 13 2.599 1.782 -9.309 123 H LYS 14 H LYS 14 4.169 -3.461 -15.314 124 HA LYS 14 HA LYS 14 1.857 -5.224 -15.633 125 HB2 LYS 14 2HB LYS 14 4.579 -5.795 -14.390 126 HB3 LYS 14 1HB LYS 14 3.255 -6.938 -14.437 127 HG2 LYS 14 2HG LYS 14 4.689 -7.603 -16.178 128 HG3 LYS 14 1HG LYS 14 3.364 -6.761 -16.966 129 HD2 LYS 14 2HD LYS 14 5.408 -6.071 -18.010 130 HD3 LYS 14 1HD LYS 14 4.816 -4.721 -17.044 131 HE2 LYS 14 2HE LYS 14 6.384 -5.324 -15.251 132 HE3 LYS 14 1HE LYS 14 6.974 -6.672 -16.215 133 HZ1 LYS 14 3HZ LYS 14 8.438 -4.761 -16.409 134 HZ2 LYS 14 1HZ LYS 14 7.153 -3.803 -16.898 135 HZ3 LYS 14 2HZ LYS 14 7.682 -5.023 -17.900 136 H LEU 15 H LEU 15 0.450 -5.433 -14.001 137 HA LEU 15 HA LEU 15 0.993 -3.730 -11.707 138 HB2 LEU 15 2HB LEU 15 -1.614 -4.846 -12.740 139 HB3 LEU 15 1HB LEU 15 -1.477 -4.051 -11.191 140 HG LEU 15 HG LEU 15 -0.738 -1.975 -12.407 141 HD11 LEU 15 1HD1 LEU 15 -1.219 -1.762 -14.783 142 HD12 LEU 15 2HD1 LEU 15 -1.616 -3.477 -14.862 143 HD13 LEU 15 3HD1 LEU 15 0.033 -2.972 -14.488 144 HD21 LEU 15 3HD2 LEU 15 -3.453 -3.081 -13.091 145 HD22 LEU 15 1HD2 LEU 15 -2.992 -1.378 -13.146 146 HD23 LEU 15 2HD2 LEU 15 -3.006 -2.239 -11.607 147 H GLU 16 H GLU 16 -0.927 -6.725 -11.961 148 HA GLU 16 HA GLU 16 0.621 -8.116 -10.064 149 HB2 GLU 16 2HB GLU 16 -1.355 -8.184 -8.380 150 HB3 GLU 16 1HB GLU 16 -0.285 -6.796 -8.350 151 HG2 GLU 16 2HG GLU 16 -2.543 -6.030 -8.075 152 HG3 GLU 16 1HG GLU 16 -1.979 -5.521 -9.656 153 H GLN 17 H GLN 17 -0.884 -10.071 -9.279 154 HA GLN 17 HA GLN 17 -2.289 -10.926 -11.683 155 HB2 GLN 17 2HB GLN 17 -1.216 -12.520 -9.346 156 HB3 GLN 17 1HB GLN 17 -2.292 -13.210 -10.542 157 HG2 GLN 17 2HG GLN 17 -0.057 -13.856 -11.060 158 HG3 GLN 17 1HG GLN 17 -0.607 -12.730 -12.288 159 HE21 GLN 17 1HE2 GLN 17 1.478 -13.178 -9.570 160 HE22 GLN 17 2HE2 GLN 17 2.521 -11.839 -9.876 161 H THR 18 H THR 18 -4.173 -10.195 -11.608 162 HA THR 18 HA THR 18 -5.540 -9.235 -9.442 163 HB THR 18 HB THR 18 -6.776 -10.166 -11.995 164 HG1 THR 18 1HG THR 18 -4.920 -8.091 -11.406 165 HG21 THR 18 3HG2 THR 18 -8.312 -9.270 -10.290 166 HG22 THR 18 1HG2 THR 18 -8.180 -8.160 -11.655 167 HG23 THR 18 2HG2 THR 18 -7.320 -7.816 -10.153 168 H VAL 19 H VAL 19 -6.603 -10.146 -7.896 169 HA VAL 19 HA VAL 19 -7.743 -12.822 -8.177 170 HB VAL 19 HB VAL 19 -7.341 -11.106 -5.688 171 HG11 VAL 19 1HG1 VAL 19 -8.184 -13.985 -5.936 172 HG12 VAL 19 2HG1 VAL 19 -9.225 -12.643 -5.472 173 HG13 VAL 19 3HG1 VAL 19 -7.891 -13.129 -4.424 174 HG21 VAL 19 3HG2 VAL 19 -5.215 -11.863 -6.619 175 HG22 VAL 19 1HG2 VAL 19 -5.798 -13.526 -6.619 176 HG23 VAL 19 2HG2 VAL 19 -5.558 -12.678 -5.092 177 H GLY 20 H GLY 20 -9.741 -12.639 -9.011 178 HA2 GLY 20 2HA GLY 20 -11.166 -10.139 -8.789 179 HA3 GLY 20 1HA GLY 20 -11.637 -11.521 -9.758 180 H ASP 21 H ASP 21 -12.441 -13.393 -8.495 181 HA ASP 21 HA ASP 21 -14.866 -12.791 -7.408 182 HB2 ASP 21 2HB ASP 21 -14.603 -14.967 -8.214 183 HB3 ASP 21 1HB ASP 21 -13.249 -15.300 -7.146 184 H ALA 22 H ALA 22 -12.056 -13.507 -5.549 185 HA ALA 22 HA ALA 22 -13.222 -13.536 -3.004 186 HB1 ALA 22 1HB ALA 22 -11.017 -13.140 -2.084 187 HB2 ALA 22 2HB ALA 22 -10.445 -12.575 -3.650 188 HB3 ALA 22 3HB ALA 22 -10.907 -14.266 -3.439 189 H PHE 23 H PHE 23 -11.571 -10.821 -4.496 190 HA PHE 23 HA PHE 23 -12.348 -8.992 -2.476 191 HB2 PHE 23 2HB PHE 23 -11.205 -8.791 -5.183 192 HB3 PHE 23 1HB PHE 23 -11.568 -7.300 -4.281 193 HD1 PHE 23 1HD PHE 23 -9.444 -10.286 -4.548 194 HD2 PHE 23 2HD PHE 23 -10.137 -6.683 -2.363 195 HE1 PHE 23 1HE PHE 23 -7.247 -10.512 -3.467 196 HE2 PHE 23 2HE PHE 23 -7.950 -6.916 -1.297 197 HZ PHE 23 HZ PHE 23 -6.500 -8.825 -1.840 198 H ALA 24 H ALA 24 -13.627 -9.876 -5.619 199 HA ALA 24 HA ALA 24 -15.485 -7.829 -5.999 200 HB1 ALA 24 1HB ALA 24 -15.748 -10.713 -6.821 201 HB2 ALA 24 2HB ALA 24 -14.891 -9.467 -7.729 202 HB3 ALA 24 3HB ALA 24 -16.636 -9.354 -7.501 203 H ARG 25 H ARG 25 -15.906 -10.909 -4.294 204 HA ARG 25 HA ARG 25 -18.597 -10.249 -3.691 205 HB2 ARG 25 2HB ARG 25 -16.822 -12.488 -2.794 206 HB3 ARG 25 1HB ARG 25 -18.417 -12.229 -2.101 207 HG2 ARG 25 2HG ARG 25 -19.401 -12.412 -4.353 208 HG3 ARG 25 1HG ARG 25 -17.796 -12.747 -5.001 209 HD2 ARG 25 2HD ARG 25 -19.128 -14.398 -2.861 210 HD3 ARG 25 1HD ARG 25 -19.212 -14.764 -4.581 211 HE ARG 25 HE ARG 25 -16.806 -14.967 -4.561 212 HH11 ARG 25 1HH1 ARG 25 -18.410 -15.205 -1.387 213 HH12 ARG 25 2HH1 ARG 25 -17.240 -16.226 -0.721 214 HH21 ARG 25 1HH2 ARG 25 -15.214 -16.331 -3.648 215 HH22 ARG 25 2HH2 ARG 25 -15.327 -16.897 -2.052 216 H ILE 26 H ILE 26 -15.579 -9.911 -1.922 217 HA ILE 26 HA ILE 26 -16.890 -9.252 0.524 218 HB ILE 26 HB ILE 26 -14.035 -8.603 -0.322 219 HG12 ILE 26 2HG1 ILE 26 -15.113 -10.885 1.357 220 HG13 ILE 26 1HG1 ILE 26 -14.571 -11.024 -0.308 221 HG21 ILE 26 1HG2 ILE 26 -14.785 -7.183 1.531 222 HG22 ILE 26 2HG2 ILE 26 -13.592 -8.357 2.087 223 HG23 ILE 26 3HG2 ILE 26 -15.305 -8.612 2.427 224 HD11 ILE 26 3HD1 ILE 26 -12.851 -10.271 2.049 225 HD12 ILE 26 1HD1 ILE 26 -12.304 -10.414 0.377 226 HD13 ILE 26 2HD1 ILE 26 -12.887 -11.838 1.241 227 H PHE 27 H PHE 27 -15.514 -7.309 -2.080 228 HA PHE 27 HA PHE 27 -16.220 -4.832 -0.837 229 HB2 PHE 27 2HB PHE 27 -15.091 -5.554 -3.508 230 HB3 PHE 27 1HB PHE 27 -15.644 -3.916 -3.189 231 HD1 PHE 27 2HD PHE 27 -13.340 -6.539 -1.921 232 HD2 PHE 27 1HD PHE 27 -14.300 -2.414 -2.118 233 HE1 PHE 27 2HE PHE 27 -11.203 -6.004 -0.836 234 HE2 PHE 27 1HE PHE 27 -12.165 -1.856 -1.034 235 HZ PHE 27 HZ PHE 27 -10.604 -3.658 -0.396 236 H GLY 28 H GLY 28 -17.944 -7.073 -2.689 237 HA2 GLY 28 2HA GLY 28 -20.174 -7.046 -3.292 238 HA3 GLY 28 1HA GLY 28 -20.288 -5.418 -2.630 239 H GLY 29 H GLY 29 -18.030 -6.478 -5.055 240 HA2 GLY 29 2HA GLY 29 -18.071 -6.193 -7.372 241 HA3 GLY 29 1HA GLY 29 -19.574 -5.299 -7.218 242 H SER 30 H SER 30 -18.391 -3.580 -5.140 243 HA SER 30 HA SER 30 -17.188 -1.751 -7.018 244 HB2 SER 30 2HB SER 30 -19.114 -0.946 -5.724 245 HB3 SER 30 1HB SER 30 -18.268 -1.285 -4.223 246 HG SER 30 HG SER 30 -17.661 0.646 -6.193 247 H ILE 31 H ILE 31 -15.213 -2.796 -7.145 248 HA ILE 31 HA ILE 31 -13.452 -2.682 -4.788 249 HB ILE 31 HB ILE 31 -12.792 -3.751 -7.549 250 HG12 ILE 31 2HG1 ILE 31 -13.698 -5.405 -5.180 251 HG13 ILE 31 1HG1 ILE 31 -14.715 -5.022 -6.571 252 HG21 ILE 31 1HG2 ILE 31 -11.005 -4.961 -6.365 253 HG22 ILE 31 2HG2 ILE 31 -11.520 -4.219 -4.851 254 HG23 ILE 31 3HG2 ILE 31 -10.876 -3.214 -6.148 255 HD11 ILE 31 3HD1 ILE 31 -13.188 -6.210 -8.034 256 HD12 ILE 31 1HD1 ILE 31 -13.745 -7.271 -6.743 257 HD13 ILE 31 2HD1 ILE 31 -12.131 -6.566 -6.671 258 H VAL 32 H VAL 32 -12.558 -0.616 -4.668 259 HA VAL 32 HA VAL 32 -11.676 0.431 -7.248 260 HB VAL 32 HB VAL 32 -11.932 2.790 -6.285 261 HG11 VAL 32 1HG1 VAL 32 -14.417 1.135 -6.719 262 HG12 VAL 32 2HG1 VAL 32 -13.433 1.884 -7.976 263 HG13 VAL 32 3HG1 VAL 32 -14.315 2.893 -6.830 264 HG21 VAL 32 3HG2 VAL 32 -13.689 1.320 -4.302 265 HG22 VAL 32 1HG2 VAL 32 -13.603 3.071 -4.501 266 HG23 VAL 32 2HG2 VAL 32 -12.196 2.179 -3.919 267 HA PRO 33 HA PRO 33 -7.762 0.293 -4.984 268 HB2 PRO 33 2HB PRO 33 -6.681 -0.417 -7.620 269 HB3 PRO 33 1HB PRO 33 -6.557 -1.311 -6.105 270 HG2 PRO 33 2HG PRO 33 -8.065 -2.196 -8.152 271 HG3 PRO 33 1HG PRO 33 -8.527 -2.461 -6.461 272 HD2 PRO 33 2HD PRO 33 -9.527 -0.391 -8.392 273 HD3 PRO 33 1HD PRO 33 -10.444 -1.398 -7.251 274 H GLN 34 H GLN 34 -8.487 1.404 -8.253 275 HA GLN 34 HA GLN 34 -6.503 3.210 -8.826 276 HB2 GLN 34 2HB GLN 34 -9.434 3.641 -9.417 277 HB3 GLN 34 1HB GLN 34 -8.123 4.506 -10.173 278 HG2 GLN 34 2HG GLN 34 -8.935 2.927 -11.724 279 HG3 GLN 34 1HG GLN 34 -7.386 2.319 -11.153 280 HE21 GLN 34 1HE2 GLN 34 -10.833 1.962 -10.937 281 HE22 GLN 34 2HE2 GLN 34 -10.824 0.324 -10.414 282 H GLU 35 H GLU 35 -9.520 3.880 -7.171 283 HA GLU 35 HA GLU 35 -9.282 6.634 -6.856 284 HB2 GLU 35 2HB GLU 35 -11.307 5.135 -6.477 285 HB3 GLU 35 1HB GLU 35 -10.636 4.793 -4.892 286 HG2 GLU 35 2HG GLU 35 -12.325 6.507 -4.734 287 HG3 GLU 35 1HG GLU 35 -10.740 7.187 -4.353 288 H VAL 36 H VAL 36 -8.375 4.008 -4.683 289 HA VAL 36 HA VAL 36 -7.414 5.699 -2.633 290 HB VAL 36 HB VAL 36 -6.795 2.761 -3.096 291 HG11 VAL 36 1HG1 VAL 36 -5.183 3.819 -1.588 292 HG12 VAL 36 2HG1 VAL 36 -6.231 2.706 -0.709 293 HG13 VAL 36 3HG1 VAL 36 -6.506 4.444 -0.602 294 HG21 VAL 36 3HG2 VAL 36 -8.545 2.332 -1.438 295 HG22 VAL 36 1HG2 VAL 36 -9.193 3.156 -2.859 296 HG23 VAL 36 2HG2 VAL 36 -8.899 4.060 -1.370 297 H GLU 37 H GLU 37 -5.774 3.779 -5.184 298 HA GLU 37 HA GLU 37 -3.229 4.513 -4.246 299 HB2 GLU 37 2HB GLU 37 -2.273 3.470 -6.226 300 HB3 GLU 37 1HB GLU 37 -3.517 2.453 -5.537 301 HG2 GLU 37 2HG GLU 37 -3.808 2.248 -7.851 302 HG3 GLU 37 1HG GLU 37 -5.042 3.407 -7.360 303 H ALA 38 H ALA 38 -5.277 5.979 -6.671 304 HA ALA 38 HA ALA 38 -3.340 7.744 -7.694 305 HB1 ALA 38 1HB ALA 38 -6.334 8.120 -7.568 306 HB2 ALA 38 2HB ALA 38 -5.455 7.278 -8.847 307 HB3 ALA 38 3HB ALA 38 -5.217 9.010 -8.606 308 H LEU 39 H LEU 39 -5.652 8.029 -5.042 309 HA LEU 39 HA LEU 39 -4.948 10.739 -4.469 310 HB2 LEU 39 2HB LEU 39 -7.097 9.341 -3.849 311 HB3 LEU 39 1HB LEU 39 -6.150 8.834 -2.474 312 HG LEU 39 HG LEU 39 -6.912 11.701 -3.083 313 HD11 LEU 39 1HD1 LEU 39 -8.480 11.478 -1.231 314 HD12 LEU 39 2HD1 LEU 39 -8.069 9.770 -1.096 315 HD13 LEU 39 3HD1 LEU 39 -8.852 10.377 -2.556 316 HD21 LEU 39 3HD2 LEU 39 -6.203 12.171 -0.785 317 HD22 LEU 39 1HD2 LEU 39 -4.866 11.550 -1.749 318 HD23 LEU 39 2HD2 LEU 39 -5.684 10.493 -0.599 319 H LEU 40 H LEU 40 -3.961 7.572 -3.369 320 HA LEU 40 HA LEU 40 -2.414 8.252 -1.153 321 HB2 LEU 40 2HB LEU 40 -3.253 5.977 -2.018 322 HB3 LEU 40 1HB LEU 40 -1.824 5.973 -3.021 323 HG LEU 40 HG LEU 40 -0.425 6.017 -0.975 324 HD11 LEU 40 1HD1 LEU 40 -1.999 7.119 0.547 325 HD12 LEU 40 2HD1 LEU 40 -1.501 5.559 1.194 326 HD13 LEU 40 3HD1 LEU 40 -3.082 5.736 0.447 327 HD21 LEU 40 3HD2 LEU 40 -0.953 3.905 -2.057 328 HD22 LEU 40 1HD2 LEU 40 -2.469 3.798 -1.166 329 HD23 LEU 40 2HD2 LEU 40 -0.939 3.696 -0.306 330 H ARG 41 H ARG 41 -1.446 7.839 -4.571 331 HA ARG 41 HA ARG 41 1.229 8.696 -4.021 332 HB2 ARG 41 2HB ARG 41 1.473 8.884 -6.553 333 HB3 ARG 41 1HB ARG 41 1.101 7.295 -5.913 334 HG2 ARG 41 2HG ARG 41 -1.247 7.616 -6.521 335 HG3 ARG 41 1HG ARG 41 -0.843 9.198 -7.191 336 HD2 ARG 41 2HD ARG 41 0.394 8.261 -8.944 337 HD3 ARG 41 1HD ARG 41 0.560 6.716 -8.113 338 HE ARG 41 HE ARG 41 -1.672 6.195 -8.616 339 HH11 ARG 41 1HH1 ARG 41 -0.630 9.184 -10.238 340 HH12 ARG 41 2HH1 ARG 41 -1.808 9.083 -11.451 341 HH21 ARG 41 1HH2 ARG 41 -3.274 6.080 -10.211 342 HH22 ARG 41 2HH2 ARG 41 -3.366 7.252 -11.457 343 H ARG 42 H ARG 42 -1.672 10.374 -4.658 344 HA ARG 42 HA ARG 42 -0.416 12.845 -5.339 345 HB2 ARG 42 2HB ARG 42 -2.735 12.489 -5.975 346 HB3 ARG 42 1HB ARG 42 -3.195 12.208 -4.306 347 HG2 ARG 42 2HG ARG 42 -3.883 14.414 -5.185 348 HG3 ARG 42 1HG ARG 42 -2.846 14.514 -3.761 349 HD2 ARG 42 2HD ARG 42 -0.916 14.956 -5.229 350 HD3 ARG 42 1HD ARG 42 -1.986 14.906 -6.632 351 HE ARG 42 HE ARG 42 -2.628 17.001 -6.168 352 HH11 ARG 42 1HH1 ARG 42 -1.136 15.733 -3.174 353 HH12 ARG 42 2HH1 ARG 42 -1.299 17.219 -2.354 354 HH21 ARG 42 1HH2 ARG 42 -2.717 19.007 -5.024 355 HH22 ARG 42 2HH2 ARG 42 -2.191 19.110 -3.410 356 H GLU 43 H GLU 43 -1.331 11.233 -2.405 357 HA GLU 43 HA GLU 43 -0.724 13.293 -0.579 358 HB2 GLU 43 2HB GLU 43 -0.720 10.287 -0.314 359 HB3 GLU 43 1HB GLU 43 -0.440 11.394 1.025 360 HG2 GLU 43 2HG GLU 43 -2.909 11.308 -0.661 361 HG3 GLU 43 1HG GLU 43 -2.735 10.604 0.950 362 H ALA 44 H ALA 44 1.137 10.730 -2.060 363 HA ALA 44 HA ALA 44 3.565 11.111 -0.758 364 HB1 ALA 44 1HB ALA 44 3.140 9.197 -2.223 365 HB2 ALA 44 2HB ALA 44 4.605 10.054 -2.712 366 HB3 ALA 44 3HB ALA 44 3.107 10.276 -3.619 367 H ALA 45 H ALA 45 2.299 12.568 -3.709 368 HA ALA 45 HA ALA 45 4.500 14.267 -4.217 369 HB1 ALA 45 1HB ALA 45 2.862 13.661 -5.934 370 HB2 ALA 45 2HB ALA 45 3.018 15.410 -5.774 371 HB3 ALA 45 3HB ALA 45 1.627 14.580 -5.070 372 H ASP 46 H ASP 46 1.849 14.496 -2.039 373 HA ASP 46 HA ASP 46 1.934 17.345 -1.793 374 HB2 ASP 46 2HB ASP 46 -0.158 16.203 -1.355 375 HB3 ASP 46 1HB ASP 46 0.585 15.288 -0.047 376 H GLY 47 H GLY 47 3.233 14.641 0.038 377 HA2 GLY 47 2HA GLY 47 4.249 16.501 2.055 378 HA3 GLY 47 1HA GLY 47 4.245 14.756 2.180 379 H ILE 48 H ILE 48 5.431 16.294 -0.707 380 HA ILE 48 HA ILE 48 7.973 15.114 -0.504 381 HB ILE 48 HB ILE 48 6.881 17.268 -2.308 382 HG12 ILE 48 2HG1 ILE 48 5.850 15.105 -2.630 383 HG13 ILE 48 1HG1 ILE 48 6.858 15.510 -4.016 384 HG21 ILE 48 1HG2 ILE 48 9.243 17.585 -2.194 385 HG22 ILE 48 2HG2 ILE 48 8.811 16.881 -3.766 386 HG23 ILE 48 3HG2 ILE 48 9.513 15.867 -2.494 387 HD11 ILE 48 3HD1 ILE 48 7.141 13.198 -3.471 388 HD12 ILE 48 1HD1 ILE 48 7.524 13.592 -1.795 389 HD13 ILE 48 2HD1 ILE 48 8.628 14.064 -3.081 390 H GLN 49 H GLN 49 9.864 15.864 0.152 391 HA GLN 49 HA GLN 49 10.011 18.620 1.107 392 HB2 GLN 49 2HB GLN 49 11.104 16.140 2.393 393 HB3 GLN 49 1HB GLN 49 11.686 17.745 2.792 394 HG2 GLN 49 2HG GLN 49 9.484 18.379 3.473 395 HG3 GLN 49 1HG GLN 49 8.845 16.793 3.036 396 HE21 GLN 49 1HE2 GLN 49 8.201 16.287 5.063 397 HE22 GLN 49 2HE2 GLN 49 9.270 15.951 6.384 398 H SER 50 H SER 50 11.844 19.675 0.785 399 HA SER 50 HA SER 50 13.332 18.872 -1.505 400 HB2 SER 50 2HB SER 50 14.381 21.165 -1.105 401 HB3 SER 50 1HB SER 50 12.649 21.123 -1.448 402 HG SER 50 HG SER 50 13.165 22.461 0.342 403 H LEU 51 H LEU 51 14.608 17.174 -0.874 404 HA LEU 51 HA LEU 51 16.697 17.712 1.123 405 HB2 LEU 51 2HB LEU 51 15.207 15.514 1.020 406 HB3 LEU 51 1HB LEU 51 16.306 15.060 -0.269 407 HG LEU 51 HG LEU 51 18.210 15.298 1.385 408 HD11 LEU 51 1HD1 LEU 51 17.114 16.793 2.965 409 HD12 LEU 51 2HD1 LEU 51 17.641 15.300 3.752 410 HD13 LEU 51 3HD1 LEU 51 15.942 15.520 3.332 411 HD21 LEU 51 3HD2 LEU 51 17.822 13.217 2.471 412 HD22 LEU 51 1HD2 LEU 51 17.135 13.114 0.849 413 HD23 LEU 51 2HD2 LEU 51 16.087 13.378 2.262 414 H GLN 52 H GLN 52 18.745 16.063 -0.056 415 HA GLN 52 HA GLN 52 19.981 17.750 -1.848 416 HB2 GLN 52 2HB GLN 52 20.296 14.782 -1.499 417 HB3 GLN 52 1HB GLN 52 21.292 15.713 -2.605 418 HG2 GLN 52 2HG GLN 52 21.045 16.242 0.328 419 HG3 GLN 52 1HG GLN 52 22.354 15.321 -0.439 420 HE21 GLN 52 1HE2 GLN 52 22.451 17.771 1.122 421 HE22 GLN 52 2HE2 GLN 52 23.202 18.953 0.124 422 H GLY 53 H GLY 53 20.370 17.741 -3.977 423 HA2 GLY 53 2HA GLY 53 17.961 17.495 -5.537 424 HA3 GLY 53 1HA GLY 53 19.481 18.189 -6.070 425 H ASN 54 H ASN 54 19.173 15.076 -4.750 426 HA ASN 54 HA ASN 54 19.959 13.833 -7.280 427 HB2 ASN 54 2HB ASN 54 19.843 12.634 -4.490 428 HB3 ASN 54 1HB ASN 54 20.477 11.836 -5.918 429 HD21 ASN 54 1HD2 ASN 54 21.763 12.359 -3.402 430 HD22 ASN 54 2HD2 ASN 54 23.145 13.339 -3.724 431 H ARG 55 H ARG 55 17.607 13.960 -4.705 432 HA ARG 55 HA ARG 55 15.455 13.239 -6.233 433 HB2 ARG 55 2HB ARG 55 14.850 11.053 -5.095 434 HB3 ARG 55 1HB ARG 55 16.131 10.972 -6.285 435 HG2 ARG 55 2HG ARG 55 17.764 10.997 -4.486 436 HG3 ARG 55 1HG ARG 55 16.462 10.989 -3.298 437 HD2 ARG 55 2HD ARG 55 17.282 8.707 -3.641 438 HD3 ARG 55 1HD ARG 55 15.625 8.866 -4.222 439 HE ARG 55 HE ARG 55 17.094 9.320 -6.443 440 HH11 ARG 55 1HH1 ARG 55 17.046 6.644 -4.115 441 HH12 ARG 55 2HH1 ARG 55 17.618 5.498 -5.231 442 HH21 ARG 55 1HH2 ARG 55 17.812 7.713 -7.980 443 HH22 ARG 55 2HH2 ARG 55 18.012 6.111 -7.483 444 H LEU 56 H LEU 56 13.478 13.326 -5.046 445 HA LEU 56 HA LEU 56 13.748 15.132 -2.751 446 HB2 LEU 56 2HB LEU 56 11.334 14.371 -4.392 447 HB3 LEU 56 1HB LEU 56 11.415 15.626 -3.176 448 HG LEU 56 HG LEU 56 12.965 15.662 -5.767 449 HD11 LEU 56 1HD1 LEU 56 10.493 17.186 -4.966 450 HD12 LEU 56 2HD1 LEU 56 10.556 15.865 -6.133 451 HD13 LEU 56 3HD1 LEU 56 11.394 17.377 -6.467 452 HD21 LEU 56 3HD2 LEU 56 12.573 17.773 -3.640 453 HD22 LEU 56 1HD2 LEU 56 13.410 18.000 -5.176 454 HD23 LEU 56 2HD2 LEU 56 14.069 16.899 -3.968 455 H LEU 57 H LEU 57 12.495 14.919 -0.878 456 HA LEU 57 HA LEU 57 12.447 12.163 0.016 457 HB2 LEU 57 2HB LEU 57 13.430 14.382 1.160 458 HB3 LEU 57 1HB LEU 57 11.771 14.549 1.675 459 HG LEU 57 HG LEU 57 13.293 13.572 3.380 460 HD11 LEU 57 1HD1 LEU 57 11.023 11.819 2.511 461 HD12 LEU 57 2HD1 LEU 57 10.935 13.250 3.550 462 HD13 LEU 57 3HD1 LEU 57 11.827 11.817 4.086 463 HD21 LEU 57 3HD2 LEU 57 14.023 11.310 3.185 464 HD22 LEU 57 1HD2 LEU 57 14.643 12.237 1.825 465 HD23 LEU 57 2HD2 LEU 57 13.270 11.151 1.599 466 H ALA 58 H ALA 58 10.571 11.083 0.258 467 HA ALA 58 HA ALA 58 8.051 12.545 -0.081 468 HB1 ALA 58 1HB ALA 58 7.205 10.512 -1.184 469 HB2 ALA 58 2HB ALA 58 8.798 9.770 -1.014 470 HB3 ALA 58 3HB ALA 58 8.590 11.199 -2.027 471 HA PRO 59 HA PRO 59 6.338 10.842 3.712 472 HB2 PRO 59 2HB PRO 59 4.154 9.902 1.932 473 HB3 PRO 59 1HB PRO 59 4.065 10.794 3.458 474 HG2 PRO 59 2HG PRO 59 3.672 12.090 1.218 475 HG3 PRO 59 1HG PRO 59 4.718 12.788 2.470 476 HD2 PRO 59 2HD PRO 59 5.499 11.410 -0.068 477 HD3 PRO 59 1HD PRO 59 6.170 12.872 0.688 478 H ASN 60 H ASN 60 6.389 9.001 4.798 479 HA ASN 60 HA ASN 60 6.427 6.468 3.294 480 HB2 ASN 60 2HB ASN 60 7.858 5.496 5.010 481 HB3 ASN 60 1HB ASN 60 8.614 6.951 4.375 482 HD21 ASN 60 1HD2 ASN 60 8.773 5.482 6.957 483 HD22 ASN 60 2HD2 ASN 60 8.574 6.710 8.173 484 H GLU 61 H GLU 61 4.957 8.312 5.818 485 HA GLU 61 HA GLU 61 3.558 5.939 6.779 486 HB2 GLU 61 2HB GLU 61 4.766 7.242 8.501 487 HB3 GLU 61 1HB GLU 61 3.831 8.663 8.065 488 HG2 GLU 61 2HG GLU 61 1.782 7.543 8.769 489 HG3 GLU 61 1HG GLU 61 2.708 6.106 9.190 490 H TYR 62 H TYR 62 1.777 5.663 5.718 491 HA TYR 62 HA TYR 62 0.117 8.002 5.059 492 HB2 TYR 62 2HB TYR 62 0.241 5.309 3.710 493 HB3 TYR 62 1HB TYR 62 -0.895 6.586 3.301 494 HD1 TYR 62 2HD TYR 62 2.734 5.805 3.432 495 HD2 TYR 62 1HD TYR 62 -0.307 8.258 1.763 496 HE1 TYR 62 2HE TYR 62 4.370 6.786 1.910 497 HE2 TYR 62 1HE TYR 62 1.335 9.246 0.228 498 HH TYR 62 HH TYR 62 4.581 8.007 -0.009 499 H ILE 63 H ILE 63 -1.535 8.187 6.283 500 HA ILE 63 HA ILE 63 -2.565 5.804 7.625 501 HB ILE 63 HB ILE 63 -3.243 8.716 8.168 502 HG12 ILE 63 2HG1 ILE 63 -1.388 6.819 9.633 503 HG13 ILE 63 1HG1 ILE 63 -0.904 8.247 8.727 504 HG21 ILE 63 1HG2 ILE 63 -3.896 6.204 9.731 505 HG22 ILE 63 2HG2 ILE 63 -5.037 7.169 8.798 506 HG23 ILE 63 3HG2 ILE 63 -4.275 7.851 10.235 507 HD11 ILE 63 3HD1 ILE 63 -2.499 8.167 11.279 508 HD12 ILE 63 1HD1 ILE 63 -2.143 9.627 10.354 509 HD13 ILE 63 2HD1 ILE 63 -0.826 8.705 11.074 510 H ILE 64 H ILE 64 -4.171 4.825 6.714 511 HA ILE 64 HA ILE 64 -5.941 6.382 5.009 512 HB ILE 64 HB ILE 64 -5.344 3.401 4.921 513 HG12 ILE 64 2HG1 ILE 64 -4.620 5.584 2.948 514 HG13 ILE 64 1HG1 ILE 64 -3.501 4.934 4.143 515 HG21 ILE 64 1HG2 ILE 64 -7.035 5.143 3.106 516 HG22 ILE 64 2HG2 ILE 64 -7.649 3.979 4.266 517 HG23 ILE 64 3HG2 ILE 64 -6.711 3.421 2.875 518 HD11 ILE 64 3HD1 ILE 64 -3.117 3.990 1.964 519 HD12 ILE 64 1HD1 ILE 64 -4.789 3.428 1.878 520 HD13 ILE 64 2HD1 ILE 64 -3.683 2.747 3.077 521 H THR 65 H THR 65 -7.713 6.803 6.089 522 HA THR 65 HA THR 65 -8.604 4.937 8.160 523 HB THR 65 HB THR 65 -9.181 7.891 7.958 524 HG1 THR 65 1HG THR 65 -7.220 6.383 9.342 525 HG21 THR 65 3HG2 THR 65 -9.935 7.629 10.301 526 HG22 THR 65 1HG2 THR 65 -9.588 5.908 10.232 527 HG23 THR 65 2HG2 THR 65 -10.859 6.581 9.238 528 H LEU 66 H LEU 66 -10.314 3.864 7.652 529 HA LEU 66 HA LEU 66 -12.414 5.086 5.991 530 HB2 LEU 66 2HB LEU 66 -11.538 2.219 6.296 531 HB3 LEU 66 1HB LEU 66 -13.171 2.586 5.806 532 HG LEU 66 HG LEU 66 -11.849 2.021 3.863 533 HD11 LEU 66 1HD1 LEU 66 -13.569 3.614 3.534 534 HD12 LEU 66 2HD1 LEU 66 -12.200 3.932 2.477 535 HD13 LEU 66 3HD1 LEU 66 -12.461 4.934 3.904 536 HD21 LEU 66 3HD2 LEU 66 -10.048 4.315 4.603 537 HD22 LEU 66 1HD2 LEU 66 -9.940 3.341 3.136 538 HD23 LEU 66 2HD2 LEU 66 -9.625 2.605 4.711 539 H GLY 67 H GLY 67 -14.637 4.449 6.635 540 HA2 GLY 67 2HA GLY 67 -14.905 4.459 9.492 541 HA3 GLY 67 1HA GLY 67 -16.212 4.467 8.304 542 H VAL 68 H VAL 68 -16.535 2.831 10.410 543 HA VAL 68 HA VAL 68 -15.366 0.263 10.054 544 HB VAL 68 HB VAL 68 -16.229 0.965 12.206 545 HG11 VAL 68 1HG1 VAL 68 -18.635 0.996 12.708 546 HG12 VAL 68 2HG1 VAL 68 -18.971 0.761 10.990 547 HG13 VAL 68 3HG1 VAL 68 -18.170 2.232 11.540 548 HG21 VAL 68 3HG2 VAL 68 -16.005 -1.414 11.813 549 HG22 VAL 68 1HG2 VAL 68 -17.646 -1.489 11.176 550 HG23 VAL 68 2HG2 VAL 68 -17.375 -1.111 12.878 551 H HIS 69 H HIS 69 -18.090 1.791 8.714 552 HA HIS 69 HA HIS 69 -19.541 -0.269 7.556 553 HB2 HIS 69 2HB HIS 69 -20.373 1.966 7.502 554 HB3 HIS 69 1HB HIS 69 -18.905 2.559 6.745 555 HD1 HIS 69 1HD HIS 69 -18.875 2.688 4.238 556 HD2 HIS 69 2HD HIS 69 -22.115 0.533 5.715 557 HE1 HIS 69 1HE HIS 69 -20.392 2.292 2.289 558 H ASP 70 H ASP 70 -16.860 1.615 6.196 559 HA ASP 70 HA ASP 70 -16.735 -0.010 3.843 560 HB2 ASP 70 2HB ASP 70 -15.020 2.267 4.797 561 HB3 ASP 70 1HB ASP 70 -14.804 1.461 3.245 562 H PHE 71 H PHE 71 -14.992 0.184 6.867 563 HA PHE 71 HA PHE 71 -12.745 -1.262 6.092 564 HB2 PHE 71 2HB PHE 71 -13.013 0.074 8.154 565 HB3 PHE 71 1HB PHE 71 -14.058 -1.185 8.817 566 HD1 PHE 71 2HD PHE 71 -10.688 -0.280 7.821 567 HD2 PHE 71 1HD PHE 71 -13.111 -3.233 9.637 568 HE1 PHE 71 2HE PHE 71 -8.649 -1.414 8.657 569 HE2 PHE 71 1HE PHE 71 -11.097 -4.389 10.491 570 HZ PHE 71 HZ PHE 71 -8.865 -3.476 9.996 571 H GLU 72 H GLU 72 -16.042 -2.317 7.079 572 HA GLU 72 HA GLU 72 -15.615 -4.970 7.442 573 HB2 GLU 72 2HB GLU 72 -17.550 -3.306 7.782 574 HB3 GLU 72 1HB GLU 72 -17.956 -3.677 6.124 575 HG2 GLU 72 2HG GLU 72 -17.674 -5.659 8.292 576 HG3 GLU 72 1HG GLU 72 -19.168 -4.814 7.847 577 H LYS 73 H LYS 73 -15.945 -3.014 4.508 578 HA LYS 73 HA LYS 73 -16.123 -5.339 2.827 579 HB2 LYS 73 2HB LYS 73 -16.167 -2.390 2.195 580 HB3 LYS 73 1HB LYS 73 -16.026 -3.589 0.924 581 HG2 LYS 73 2HG LYS 73 -18.320 -2.956 1.076 582 HG3 LYS 73 1HG LYS 73 -18.180 -4.586 1.715 583 HD2 LYS 73 2HD LYS 73 -18.131 -3.593 4.011 584 HD3 LYS 73 1HD LYS 73 -18.459 -2.019 3.287 585 HE2 LYS 73 2HE LYS 73 -20.535 -2.928 4.076 586 HE3 LYS 73 1HE LYS 73 -20.551 -2.983 2.317 587 HZ1 LYS 73 3HZ LYS 73 -19.914 -5.369 2.475 588 HZ2 LYS 73 1HZ LYS 73 -21.389 -5.044 3.245 589 HZ3 LYS 73 2HZ LYS 73 -19.980 -5.255 4.141 590 H LEU 74 H LEU 74 -13.665 -3.454 4.137 591 HA LEU 74 HA LEU 74 -11.665 -4.275 2.215 592 HB2 LEU 74 2HB LEU 74 -11.347 -3.218 5.034 593 HB3 LEU 74 1HB LEU 74 -10.034 -3.471 3.907 594 HG LEU 74 HG LEU 74 -12.249 -1.433 3.652 595 HD11 LEU 74 1HD1 LEU 74 -9.305 -1.136 4.176 596 HD12 LEU 74 2HD1 LEU 74 -10.608 -0.867 5.333 597 HD13 LEU 74 3HD1 LEU 74 -10.448 0.183 3.924 598 HD21 LEU 74 3HD2 LEU 74 -11.597 -2.292 1.439 599 HD22 LEU 74 1HD2 LEU 74 -9.906 -2.006 1.823 600 HD23 LEU 74 2HD2 LEU 74 -11.014 -0.645 1.662 601 H GLY 75 H GLY 75 -13.144 -5.462 5.049 602 HA2 GLY 75 2HA GLY 75 -13.289 -7.759 5.478 603 HA3 GLY 75 1HA GLY 75 -11.719 -7.985 4.715 604 H ALA 76 H ALA 76 -11.759 -9.230 6.883 605 HA ALA 76 HA ALA 76 -11.149 -7.694 9.220 606 HB1 ALA 76 1HB ALA 76 -10.764 -9.847 10.286 607 HB2 ALA 76 2HB ALA 76 -10.811 -10.649 8.717 608 HB3 ALA 76 3HB ALA 76 -12.261 -9.874 9.354 609 H ASP 77 H ASP 77 -9.394 -8.118 6.562 610 HA ASP 77 HA ASP 77 -6.837 -8.380 8.008 611 HB2 ASP 77 2HB ASP 77 -7.403 -8.895 5.105 612 HB3 ASP 77 1HB ASP 77 -5.787 -8.758 5.753 613 HA PRO 78 HA PRO 78 -6.603 -4.059 6.654 614 HB2 PRO 78 2HB PRO 78 -5.217 -3.159 8.823 615 HB3 PRO 78 1HB PRO 78 -6.981 -3.235 8.779 616 HG2 PRO 78 2HG PRO 78 -5.035 -5.041 10.114 617 HG3 PRO 78 1HG PRO 78 -6.670 -4.586 10.614 618 HD2 PRO 78 2HD PRO 78 -5.974 -6.981 9.409 619 HD3 PRO 78 1HD PRO 78 -7.612 -6.308 9.453 620 H GLU 79 H GLU 79 -4.175 -6.183 8.099 621 HA GLU 79 HA GLU 79 -1.954 -4.699 7.166 622 HB2 GLU 79 2HB GLU 79 -2.139 -7.495 8.254 623 HB3 GLU 79 1HB GLU 79 -0.630 -6.720 7.805 624 HG2 GLU 79 2HG GLU 79 -1.007 -4.977 9.442 625 HG3 GLU 79 1HG GLU 79 -2.554 -5.704 9.871 626 H LEU 80 H LEU 80 -3.717 -7.440 5.925 627 HA LEU 80 HA LEU 80 -1.985 -8.126 3.826 628 HB2 LEU 80 2HB LEU 80 -3.961 -9.461 4.503 629 HB3 LEU 80 1HB LEU 80 -5.003 -8.217 3.840 630 HG LEU 80 HG LEU 80 -4.096 -8.695 1.587 631 HD11 LEU 80 1HD1 LEU 80 -2.675 -10.969 2.971 632 HD12 LEU 80 2HD1 LEU 80 -1.923 -9.576 2.195 633 HD13 LEU 80 3HD1 LEU 80 -2.816 -10.749 1.226 634 HD21 LEU 80 3HD2 LEU 80 -6.173 -9.730 2.330 635 HD22 LEU 80 1HD2 LEU 80 -5.269 -11.066 3.041 636 HD23 LEU 80 2HD2 LEU 80 -5.267 -10.828 1.294 637 H LYS 81 H LYS 81 -4.422 -5.619 4.082 638 HA LYS 81 HA LYS 81 -4.217 -4.825 1.318 639 HB2 LYS 81 2HB LYS 81 -5.386 -3.238 3.616 640 HB3 LYS 81 1HB LYS 81 -5.715 -3.019 1.907 641 HG2 LYS 81 2HG LYS 81 -6.558 -5.346 3.630 642 HG3 LYS 81 1HG LYS 81 -7.595 -4.083 2.970 643 HD2 LYS 81 2HD LYS 81 -7.073 -4.865 0.702 644 HD3 LYS 81 1HD LYS 81 -6.046 -6.135 1.380 645 HE2 LYS 81 2HE LYS 81 -9.018 -5.818 1.804 646 HE3 LYS 81 1HE LYS 81 -8.247 -7.013 0.770 647 HZ1 LYS 81 3HZ LYS 81 -7.907 -6.835 3.722 648 HZ2 LYS 81 1HZ LYS 81 -7.261 -8.043 2.727 649 HZ3 LYS 81 2HZ LYS 81 -8.927 -7.906 2.939 650 H SER 82 H SER 82 -2.944 -3.879 4.411 651 HA SER 82 HA SER 82 -1.660 -1.491 3.835 652 HB2 SER 82 2HB SER 82 -1.981 -2.357 6.112 653 HB3 SER 82 1HB SER 82 -0.912 -3.709 5.746 654 HG SER 82 HG SER 82 -0.182 -0.972 5.756 655 H THR 83 H THR 83 -0.367 -4.799 3.824 656 HA THR 83 HA THR 83 2.203 -4.227 2.969 657 HB THR 83 HB THR 83 0.600 -6.746 2.467 658 HG1 THR 83 1HG THR 83 0.469 -6.437 4.623 659 HG21 THR 83 3HG2 THR 83 3.572 -6.286 2.833 660 HG22 THR 83 1HG2 THR 83 2.777 -6.685 1.309 661 HG23 THR 83 2HG2 THR 83 2.797 -7.859 2.627 662 H GLY 84 H GLY 84 -0.726 -5.006 1.104 663 HA2 GLY 84 2HA GLY 84 0.464 -5.175 -1.436 664 HA3 GLY 84 1HA GLY 84 -1.230 -4.831 -1.114 665 H PHE 85 H PHE 85 -1.463 -2.497 -0.090 666 HA PHE 85 HA PHE 85 -0.806 -0.764 -2.190 667 HB2 PHE 85 2HB PHE 85 -2.085 -0.320 0.470 668 HB3 PHE 85 1HB PHE 85 -1.605 1.059 -0.510 669 HD1 PHE 85 1HD PHE 85 -3.874 -1.826 -0.279 670 HD2 PHE 85 2HD PHE 85 -2.743 1.611 -2.516 671 HE1 PHE 85 1HE PHE 85 -5.968 -1.971 -1.563 672 HE2 PHE 85 2HE PHE 85 -4.815 1.486 -3.799 673 HZ PHE 85 HZ PHE 85 -6.449 -0.323 -3.326 674 H ALA 86 H ALA 86 0.852 -1.354 0.828 675 HA ALA 86 HA ALA 86 2.454 0.973 0.736 676 HB1 ALA 86 1HB ALA 86 2.257 -0.401 2.778 677 HB2 ALA 86 2HB ALA 86 3.935 -0.137 2.313 678 HB3 ALA 86 3HB ALA 86 3.161 -1.686 1.979 679 H ARG 87 H ARG 87 2.845 -2.260 -0.652 680 HA ARG 87 HA ARG 87 5.477 -1.668 -1.558 681 HB2 ARG 87 2HB ARG 87 4.101 -4.013 -1.239 682 HB3 ARG 87 1HB ARG 87 3.997 -3.798 -2.981 683 HG2 ARG 87 2HG ARG 87 6.551 -3.825 -1.377 684 HG3 ARG 87 1HG ARG 87 5.935 -5.160 -2.345 685 HD2 ARG 87 2HD ARG 87 6.490 -4.155 -4.320 686 HD3 ARG 87 1HD ARG 87 6.285 -2.528 -3.673 687 HE ARG 87 HE ARG 87 8.495 -4.079 -2.634 688 HH11 ARG 87 1HH1 ARG 87 7.524 -1.694 -5.066 689 HH12 ARG 87 2HH1 ARG 87 9.039 -0.896 -5.086 690 HH21 ARG 87 1HH2 ARG 87 10.499 -2.947 -2.596 691 HH22 ARG 87 2HH2 ARG 87 10.766 -1.588 -3.595 692 H ASP 88 H ASP 88 2.253 -1.523 -2.955 693 HA ASP 88 HA ASP 88 3.109 -0.809 -5.547 694 HB2 ASP 88 2HB ASP 88 0.489 -0.431 -4.115 695 HB3 ASP 88 1HB ASP 88 0.751 0.287 -5.698 696 H LEU 89 H LEU 89 2.337 1.132 -2.712 697 HA LEU 89 HA LEU 89 2.742 3.630 -3.960 698 HB2 LEU 89 2HB LEU 89 1.550 3.219 -1.769 699 HB3 LEU 89 1HB LEU 89 3.101 2.940 -1.027 700 HG LEU 89 HG LEU 89 2.105 5.172 -0.530 701 HD11 LEU 89 1HD1 LEU 89 4.480 4.924 -0.290 702 HD12 LEU 89 2HD1 LEU 89 4.104 6.522 -0.941 703 HD13 LEU 89 3HD1 LEU 89 4.713 5.251 -2.004 704 HD21 LEU 89 3HD2 LEU 89 2.608 5.729 -3.447 705 HD22 LEU 89 1HD2 LEU 89 2.107 6.910 -2.238 706 HD23 LEU 89 2HD2 LEU 89 1.028 5.583 -2.677 707 H ALA 90 H ALA 90 4.920 1.467 -2.168 708 HA ALA 90 HA ALA 90 7.222 3.035 -2.252 709 HB1 ALA 90 1HB ALA 90 7.062 0.976 -0.921 710 HB2 ALA 90 2HB ALA 90 8.477 0.937 -1.970 711 HB3 ALA 90 3HB ALA 90 7.036 0.020 -2.403 712 H ASP 91 H ASP 91 5.845 0.859 -4.586 713 HA ASP 91 HA ASP 91 7.900 0.940 -6.536 714 HB2 ASP 91 2HB ASP 91 6.099 -0.762 -6.532 715 HB3 ASP 91 1HB ASP 91 4.928 0.488 -6.924 716 H TYR 92 H TYR 92 4.972 2.839 -6.097 717 HA TYR 92 HA TYR 92 5.264 4.589 -8.277 718 HB2 TYR 92 2HB TYR 92 3.862 4.884 -5.647 719 HB3 TYR 92 1HB TYR 92 4.004 6.257 -6.742 720 HD1 TYR 92 2HD TYR 92 3.499 5.591 -9.213 721 HD2 TYR 92 1HD TYR 92 1.904 3.655 -5.821 722 HE1 TYR 92 2HE TYR 92 1.643 4.788 -10.577 723 HE2 TYR 92 1HE TYR 92 0.013 2.828 -7.161 724 HH TYR 92 HH TYR 92 -1.130 3.630 -9.270 725 H ILE 93 H ILE 93 6.487 4.994 -4.965 726 HA ILE 93 HA ILE 93 7.541 7.497 -5.650 727 HB ILE 93 HB ILE 93 8.858 7.488 -3.558 728 HG12 ILE 93 2HG1 ILE 93 7.815 4.670 -3.206 729 HG13 ILE 93 1HG1 ILE 93 9.481 5.089 -3.557 730 HG21 ILE 93 1HG2 ILE 93 6.971 7.341 -1.996 731 HG22 ILE 93 2HG2 ILE 93 6.043 6.476 -3.218 732 HG23 ILE 93 3HG2 ILE 93 6.508 8.149 -3.495 733 HD11 ILE 93 3HD1 ILE 93 7.968 5.823 -1.055 734 HD12 ILE 93 1HD1 ILE 93 9.641 6.261 -1.410 735 HD13 ILE 93 2HD1 ILE 93 9.199 4.568 -1.206 736 H GLN 94 H GLN 94 8.831 4.292 -5.955 737 HA GLN 94 HA GLN 94 11.482 5.001 -6.596 738 HB2 GLN 94 2HB GLN 94 9.783 2.678 -7.461 739 HB3 GLN 94 1HB GLN 94 11.466 2.840 -7.927 740 HG2 GLN 94 2HG GLN 94 12.109 2.754 -5.565 741 HG3 GLN 94 1HG GLN 94 10.410 2.624 -5.110 742 HE21 GLN 94 1HE2 GLN 94 13.112 0.997 -6.565 743 HE22 GLN 94 2HE2 GLN 94 12.424 -0.583 -6.545 744 H GLU 95 H GLU 95 8.558 4.623 -8.602 745 HA GLU 95 HA GLU 95 9.714 5.135 -11.080 746 HB2 GLU 95 2HB GLU 95 6.925 5.765 -10.141 747 HB3 GLU 95 1HB GLU 95 7.465 5.677 -11.803 748 HG2 GLU 95 2HG GLU 95 7.987 3.282 -11.442 749 HG3 GLU 95 1HG GLU 95 7.261 3.430 -9.836 750 H GLN 96 H GLN 96 8.336 7.232 -8.644 751 HA GLN 96 HA GLN 96 8.568 9.617 -10.234 752 HB2 GLN 96 2HB GLN 96 8.152 9.366 -7.272 753 HB3 GLN 96 1HB GLN 96 7.860 10.797 -8.237 754 HG2 GLN 96 2HG GLN 96 6.373 8.186 -8.318 755 HG3 GLN 96 1HG GLN 96 5.772 9.739 -7.753 756 HE21 GLN 96 1HE2 GLN 96 4.909 7.846 -9.843 757 HE22 GLN 96 2HE2 GLN 96 4.761 8.759 -11.271 758 H GLY 97 H GLY 97 10.721 7.812 -8.365 759 HA2 GLY 97 2HA GLY 97 12.973 8.145 -8.064 760 HA3 GLY 97 1HA GLY 97 12.810 9.704 -8.862 761 H TRP 98 H TRP 98 11.027 8.618 -6.038 762 HA TRP 98 HA TRP 98 12.301 10.792 -4.545 763 HB2 TRP 98 2HB TRP 98 9.655 9.418 -4.069 764 HB3 TRP 98 1HB TRP 98 10.337 10.694 -3.064 765 HD1 TRP 98 HD TRP 98 11.290 12.542 -5.587 766 HE1 TRP 98 1HE TRP 98 9.493 13.860 -6.858 767 HE3 TRP 98 3HE TRP 98 7.177 9.868 -4.189 768 HZ2 TRP 98 2HZ TRP 98 6.701 13.804 -7.210 769 HZ3 TRP 98 3HZ TRP 98 4.972 10.574 -5.027 770 HH2 TRP 98 HH TRP 98 4.742 12.499 -6.505 771 H GLN 99 H GLN 99 12.675 10.460 -2.300 772 HA GLN 99 HA GLN 99 13.347 7.678 -1.568 773 HB2 GLN 99 2HB GLN 99 15.289 8.635 -0.315 774 HB3 GLN 99 1HB GLN 99 15.409 8.831 -2.058 775 HG2 GLN 99 2HG GLN 99 14.791 11.146 -1.889 776 HG3 GLN 99 1HG GLN 99 14.468 10.977 -0.171 777 HE21 GLN 99 1HE2 GLN 99 16.388 12.706 -1.665 778 HE22 GLN 99 2HE2 GLN 99 17.912 12.372 -0.942 779 H THR 100 H THR 100 13.680 7.614 0.991 780 HA THR 100 HA THR 100 12.213 9.604 2.413 781 HB THR 100 HB THR 100 10.369 8.219 1.400 782 HG1 THR 100 1HG THR 100 9.549 9.056 3.090 783 HG21 THR 100 3HG2 THR 100 9.937 5.965 2.312 784 HG22 THR 100 1HG2 THR 100 11.462 6.036 3.197 785 HG23 THR 100 2HG2 THR 100 11.470 6.018 1.437 786 H TYR 101 H TYR 101 11.809 8.636 4.767 787 HA TYR 101 HA TYR 101 14.189 7.123 5.596 788 HB2 TYR 101 2HB TYR 101 12.989 9.552 6.953 789 HB3 TYR 101 1HB TYR 101 14.122 8.467 7.740 790 HD1 TYR 101 1HD TYR 101 16.431 8.221 6.722 791 HD2 TYR 101 2HD TYR 101 13.752 11.336 5.640 792 HE1 TYR 101 1HE TYR 101 18.319 9.536 5.865 793 HE2 TYR 101 2HE TYR 101 15.637 12.657 4.766 794 HH TYR 101 HH TYR 101 18.696 11.318 4.252 795 H GLY 102 H GLY 102 13.610 5.323 6.596 796 HA2 GLY 102 2HA GLY 102 12.369 4.227 8.335 797 HA3 GLY 102 1HA GLY 102 10.992 5.253 7.919 798 H ASP 103 H ASP 103 9.939 3.103 7.723 799 HA ASP 103 HA ASP 103 10.518 1.916 5.096 800 HB2 ASP 103 2HB ASP 103 10.287 0.484 7.281 801 HB3 ASP 103 1HB ASP 103 8.567 0.810 7.120 802 H VAL 104 H VAL 104 8.601 1.506 3.769 803 HA VAL 104 HA VAL 104 6.804 3.801 3.881 804 HB VAL 104 HB VAL 104 7.095 1.677 1.728 805 HG11 VAL 104 1HG1 VAL 104 4.903 2.740 1.694 806 HG12 VAL 104 2HG1 VAL 104 5.861 3.238 0.298 807 HG13 VAL 104 3HG1 VAL 104 5.663 4.333 1.665 808 HG21 VAL 104 3HG2 VAL 104 9.139 2.991 1.971 809 HG22 VAL 104 1HG2 VAL 104 8.207 4.479 1.815 810 HG23 VAL 104 2HG2 VAL 104 8.321 3.364 0.451 811 H VAL 105 H VAL 105 5.154 3.436 5.202 812 HA VAL 105 HA VAL 105 3.771 0.895 4.927 813 HB VAL 105 HB VAL 105 3.194 0.988 7.386 814 HG11 VAL 105 1HG1 VAL 105 6.121 0.701 6.707 815 HG12 VAL 105 2HG1 VAL 105 4.890 -0.554 6.568 816 HG13 VAL 105 3HG1 VAL 105 5.340 0.068 8.155 817 HG21 VAL 105 3HG2 VAL 105 4.659 2.293 8.883 818 HG22 VAL 105 1HG2 VAL 105 3.712 3.341 7.824 819 HG23 VAL 105 2HG2 VAL 105 5.413 3.046 7.476 820 H VAL 106 H VAL 106 1.804 1.125 4.264 821 HA VAL 106 HA VAL 106 0.432 3.581 4.936 822 HB VAL 106 HB VAL 106 -1.014 3.213 3.066 823 HG11 VAL 106 1HG1 VAL 106 0.496 3.138 1.118 824 HG12 VAL 106 2HG1 VAL 106 1.784 2.593 2.186 825 HG13 VAL 106 3HG1 VAL 106 1.089 4.190 2.403 826 HG21 VAL 106 3HG2 VAL 106 -0.924 1.263 1.567 827 HG22 VAL 106 1HG2 VAL 106 -1.362 0.820 3.219 828 HG23 VAL 106 2HG2 VAL 106 0.276 0.521 2.631 829 H ARG 107 H ARG 107 -1.053 3.395 6.450 830 HA ARG 107 HA ARG 107 -1.868 0.681 7.033 831 HB2 ARG 107 2HB ARG 107 -2.016 1.698 9.562 832 HB3 ARG 107 1HB ARG 107 -0.709 0.708 8.943 833 HG2 ARG 107 2HG ARG 107 0.262 2.545 10.081 834 HG3 ARG 107 1HG ARG 107 0.492 2.825 8.359 835 HD2 ARG 107 2HD ARG 107 -0.121 4.897 9.321 836 HD3 ARG 107 1HD ARG 107 -1.520 4.296 8.439 837 HE ARG 107 HE ARG 107 -2.588 3.801 10.497 838 HH11 ARG 107 1HH1 ARG 107 0.521 5.474 10.979 839 HH12 ARG 107 2HH1 ARG 107 0.090 6.097 12.496 840 HH21 ARG 107 1HH2 ARG 107 -3.149 4.668 12.506 841 HH22 ARG 107 2HH2 ARG 107 -2.043 5.593 13.438 842 H PHE 108 H PHE 108 -3.729 0.130 7.230 843 HA PHE 108 HA PHE 108 -5.844 2.080 6.823 844 HB2 PHE 108 2HB PHE 108 -5.778 -0.945 6.662 845 HB3 PHE 108 1HB PHE 108 -7.219 0.021 6.405 846 HD1 PHE 108 2HD PHE 108 -3.795 -0.602 5.085 847 HD2 PHE 108 1HD PHE 108 -7.718 0.841 4.283 848 HE1 PHE 108 2HE PHE 108 -3.252 -0.452 2.688 849 HE2 PHE 108 1HE PHE 108 -7.177 0.989 1.886 850 HZ PHE 108 HZ PHE 108 -4.941 0.340 1.091 851 H GLU 109 H GLU 109 -7.403 2.403 8.311 852 HA GLU 109 HA GLU 109 -7.789 0.593 10.497 853 HB2 GLU 109 2HB GLU 109 -7.471 2.387 12.199 854 HB3 GLU 109 1HB GLU 109 -5.985 1.879 11.416 855 HG2 GLU 109 2HG GLU 109 -6.196 3.857 9.909 856 HG3 GLU 109 1HG GLU 109 -7.548 4.394 10.905 857 H GLN 110 H GLN 110 -9.649 1.257 11.764 858 HA GLN 110 HA GLN 110 -11.488 2.812 10.117 859 HB2 GLN 110 2HB GLN 110 -13.317 1.737 11.347 860 HB3 GLN 110 1HB GLN 110 -12.298 0.546 10.551 861 HG2 GLN 110 2HG GLN 110 -11.293 -0.079 12.558 862 HG3 GLN 110 1HG GLN 110 -11.960 1.292 13.434 863 HE21 GLN 110 1HE2 GLN 110 -14.064 1.230 14.127 864 HE22 GLN 110 2HE2 GLN 110 -15.009 -0.202 14.142 865 H SER 111 H SER 111 -12.890 4.179 11.170 866 HA SER 111 HA SER 111 -12.280 4.921 13.876 867 HB2 SER 111 2HB SER 111 -12.205 6.738 11.497 868 HB3 SER 111 1HB SER 111 -12.368 7.338 13.149 869 HG SER 111 HG SER 111 -10.359 5.535 12.898 870 H SER 112 H SER 112 -14.144 5.363 14.949 871 HA SER 112 HA SER 112 -16.650 5.092 13.553 872 HB2 SER 112 2HB SER 112 -16.144 5.702 16.474 873 HB3 SER 112 1HB SER 112 -17.648 5.112 15.762 874 HG SER 112 HG SER 112 -15.158 3.759 15.911 875 H ASN 113 H ASN 113 -14.579 7.636 14.347 876 HA ASN 113 HA ASN 113 -16.580 9.704 14.448 877 HB2 ASN 113 2HB ASN 113 -13.575 9.729 14.377 878 HB3 ASN 113 1HB ASN 113 -14.581 11.162 14.433 879 HD21 ASN 113 1HD2 ASN 113 -13.299 8.486 16.237 880 HD22 ASN 113 2HD2 ASN 113 -13.848 8.987 17.779 881 H LEU 114 H LEU 114 -15.225 7.859 12.169 882 HA LEU 114 HA LEU 114 -14.993 9.847 10.052 883 HB2 LEU 114 2HB LEU 114 -13.402 7.878 10.472 884 HB3 LEU 114 1HB LEU 114 -14.685 6.835 9.903 885 HG LEU 114 HG LEU 114 -12.978 7.150 8.210 886 HD11 LEU 114 1HD1 LEU 114 -15.191 6.846 7.386 887 HD12 LEU 114 2HD1 LEU 114 -14.294 7.946 6.335 888 HD13 LEU 114 3HD1 LEU 114 -15.494 8.578 7.465 889 HD21 LEU 114 3HD2 LEU 114 -12.105 9.274 8.932 890 HD22 LEU 114 1HD2 LEU 114 -13.574 10.091 8.400 891 HD23 LEU 114 2HD2 LEU 114 -12.515 9.320 7.219 892 H HIS 115 H HIS 115 -16.774 10.295 8.888 893 HA HIS 115 HA HIS 115 -19.179 8.757 9.410 894 HB2 HIS 115 2HB HIS 115 -19.095 11.299 9.554 895 HB3 HIS 115 1HB HIS 115 -18.885 11.272 7.801 896 HD1 HIS 115 1HD HIS 115 -21.467 10.332 10.407 897 HD2 HIS 115 2HD HIS 115 -21.159 11.155 6.353 898 HE1 HIS 115 1HE HIS 115 -23.833 10.390 9.525 899 H THR 116 H THR 116 -20.548 8.064 7.721 900 HA THR 116 HA THR 116 -19.219 6.590 5.734 901 HB THR 116 HB THR 116 -22.178 7.191 5.779 902 HG1 THR 116 1HG THR 116 -20.572 5.475 7.389 903 HG21 THR 116 3HG2 THR 116 -22.307 4.885 4.929 904 HG22 THR 116 1HG2 THR 116 -20.554 4.755 5.001 905 HG23 THR 116 2HG2 THR 116 -21.301 5.888 3.878 906 H GLY 117 H GLY 117 -18.852 6.953 3.653 907 HA2 GLY 117 2HA GLY 117 -19.352 7.941 1.567 908 HA3 GLY 117 1HA GLY 117 -19.936 9.367 2.425 909 H GLN 118 H GLN 118 -17.536 8.791 4.257 910 HA GLN 118 HA GLN 118 -15.655 10.423 2.745 911 HB2 GLN 118 2HB GLN 118 -16.668 11.252 4.926 912 HB3 GLN 118 1HB GLN 118 -15.882 9.905 5.697 913 HG2 GLN 118 2HG GLN 118 -13.693 10.766 4.972 914 HG3 GLN 118 1HG GLN 118 -14.518 12.174 4.302 915 HE21 GLN 118 1HE2 GLN 118 -16.452 12.268 6.482 916 HE22 GLN 118 2HE2 GLN 118 -15.623 12.847 7.874 917 H PHE 119 H PHE 119 -13.503 9.768 2.726 918 HA PHE 119 HA PHE 119 -12.594 7.549 4.288 919 HB2 PHE 119 2HB PHE 119 -11.586 6.369 2.423 920 HB3 PHE 119 1HB PHE 119 -13.318 6.464 2.149 921 HD1 PHE 119 1HD PHE 119 -14.166 8.119 0.422 922 HD2 PHE 119 2HD PHE 119 -10.043 7.201 0.915 923 HE1 PHE 119 1HE PHE 119 -13.702 9.001 -1.825 924 HE2 PHE 119 2HE PHE 119 -9.563 8.073 -1.296 925 HZ PHE 119 HZ PHE 119 -11.393 8.985 -2.698 926 H ARG 120 H ARG 120 -10.239 7.646 4.417 927 HA ARG 120 HA ARG 120 -9.253 10.227 3.509 928 HB2 ARG 120 2HB ARG 120 -9.235 9.211 6.326 929 HB3 ARG 120 1HB ARG 120 -8.114 10.440 5.774 930 HG2 ARG 120 2HG ARG 120 -9.937 11.924 5.266 931 HG3 ARG 120 1HG ARG 120 -11.110 10.668 5.674 932 HD2 ARG 120 2HD ARG 120 -10.767 12.330 7.482 933 HD3 ARG 120 1HD ARG 120 -10.411 10.676 7.957 934 HE ARG 120 HE ARG 120 -8.070 11.186 7.761 935 HH11 ARG 120 1HH1 ARG 120 -10.172 14.031 7.718 936 HH12 ARG 120 2HH1 ARG 120 -9.062 15.044 8.491 937 HH21 ARG 120 1HH2 ARG 120 -6.516 12.583 8.834 938 HH22 ARG 120 2HH2 ARG 120 -6.950 14.201 9.165 939 H ALA 121 H ALA 121 -7.161 10.336 3.065 940 HA ALA 121 HA ALA 121 -5.339 8.273 3.939 941 HB1 ALA 121 1HB ALA 121 -6.012 7.545 1.684 942 HB2 ALA 121 2HB ALA 121 -4.347 8.143 1.688 943 HB3 ALA 121 3HB ALA 121 -5.644 9.156 1.056 944 H ARG 122 H ARG 122 -3.782 9.407 4.949 945 HA ARG 122 HA ARG 122 -3.164 12.024 3.972 946 HB2 ARG 122 2HB ARG 122 -4.246 11.963 6.106 947 HB3 ARG 122 1HB ARG 122 -3.101 10.759 6.681 948 HG2 ARG 122 2HG ARG 122 -2.464 12.782 7.624 949 HG3 ARG 122 1HG ARG 122 -1.323 12.467 6.323 950 HD2 ARG 122 2HD ARG 122 -3.709 14.309 6.103 951 HD3 ARG 122 1HD ARG 122 -2.046 14.702 6.540 952 HE ARG 122 HE ARG 122 -2.580 13.529 3.876 953 HH11 ARG 122 1HH1 ARG 122 -1.440 16.345 5.725 954 HH12 ARG 122 2HH1 ARG 122 -0.807 17.087 4.333 955 HH21 ARG 122 1HH2 ARG 122 -1.739 14.520 2.138 956 HH22 ARG 122 2HH2 ARG 122 -0.905 16.032 2.234 957 H GLY 123 H GLY 123 -1.210 12.036 3.091 958 HA2 GLY 123 2HA GLY 123 0.755 9.996 3.869 959 HA3 GLY 123 1HA GLY 123 0.836 10.923 2.388 960 H THR 124 H THR 124 2.289 10.460 5.169 961 HA THR 124 HA THR 124 3.473 13.128 5.222 962 HB THR 124 HB THR 124 3.525 12.800 7.785 963 HG1 THR 124 1HG THR 124 2.218 10.609 7.080 964 HG21 THR 124 3HG2 THR 124 2.175 14.572 6.717 965 HG22 THR 124 1HG2 THR 124 1.317 13.874 8.090 966 HG23 THR 124 2HG2 THR 124 0.869 13.415 6.449 967 H VAL 125 H VAL 125 5.715 13.011 5.838 968 HA VAL 125 HA VAL 125 6.655 10.284 6.068 969 HB VAL 125 HB VAL 125 7.889 11.537 4.356 970 HG11 VAL 125 1HG1 VAL 125 9.213 13.466 4.874 971 HG12 VAL 125 2HG1 VAL 125 8.512 13.473 6.505 972 HG13 VAL 125 3HG1 VAL 125 7.477 13.711 5.092 973 HG21 VAL 125 3HG2 VAL 125 9.587 11.127 6.814 974 HG22 VAL 125 1HG2 VAL 125 10.179 11.254 5.158 975 HG23 VAL 125 2HG2 VAL 125 9.162 9.894 5.629 976 H ASN 126 H ASN 126 7.157 9.448 7.823 977 HA ASN 126 HA ASN 126 7.767 11.129 10.128 978 HB2 ASN 126 2HB ASN 126 5.461 10.298 10.315 979 HB3 ASN 126 1HB ASN 126 6.020 8.656 10.033 980 HD21 ASN 126 1HD2 ASN 126 5.134 7.983 11.967 981 HD22 ASN 126 2HD2 ASN 126 5.836 8.370 13.496 982 HA PRO 127 HA PRO 127 11.177 8.121 9.661 983 HB2 PRO 127 2HB PRO 127 12.783 10.102 11.049 984 HB3 PRO 127 1HB PRO 127 12.960 9.527 9.393 985 HG2 PRO 127 2HG PRO 127 12.160 12.062 10.029 986 HG3 PRO 127 1HG PRO 127 11.695 11.245 8.528 987 HD2 PRO 127 2HD PRO 127 10.140 11.639 11.049 988 HD3 PRO 127 1HD PRO 127 9.597 11.720 9.356 989 H ASP 128 H ASP 128 9.712 9.769 12.164 990 HA ASP 128 HA ASP 128 11.121 8.492 14.371 991 HB2 ASP 128 2HB ASP 128 8.838 10.481 14.285 992 HB3 ASP 128 1HB ASP 128 9.488 9.811 15.772 993 H VAL 129 H VAL 129 9.473 7.057 12.380 994 HA VAL 129 HA VAL 129 7.169 6.247 13.850 995 HB VAL 129 HB VAL 129 6.896 6.396 11.427 996 HG11 VAL 129 1HG1 VAL 129 8.013 4.898 9.859 997 HG12 VAL 129 2HG1 VAL 129 8.989 4.259 11.184 998 HG13 VAL 129 3HG1 VAL 129 9.143 5.957 10.713 999 HG21 VAL 129 3HG2 VAL 129 5.955 4.161 10.945 1000 HG22 VAL 129 1HG2 VAL 129 5.507 4.757 12.543 1001 HG23 VAL 129 2HG2 VAL 129 6.765 3.536 12.379 1002 H GLU 130 H GLU 130 7.340 4.994 15.374 1003 HA GLU 130 HA GLU 130 9.614 3.237 15.648 1004 HB2 GLU 130 2HB GLU 130 8.815 2.830 17.927 1005 HB3 GLU 130 1HB GLU 130 8.977 4.547 17.601 1006 HG2 GLU 130 2HG GLU 130 6.571 4.713 17.288 1007 HG3 GLU 130 1HG GLU 130 6.402 2.987 17.593 1008 H THR 131 H THR 131 9.551 1.089 15.647 1009 HA THR 131 HA THR 131 7.036 -0.269 15.450 1010 HB THR 131 HB THR 131 7.519 0.081 13.105 1011 HG1 THR 131 1HG THR 131 6.977 -1.871 12.732 1012 HG21 THR 131 3HG2 THR 131 9.615 -0.661 12.031 1013 HG22 THR 131 1HG2 THR 131 10.269 -1.076 13.615 1014 HG23 THR 131 2HG2 THR 131 9.906 0.605 13.225 1015 H HIS 132 H HIS 132 7.262 -2.504 16.080 1016 HA HIS 132 HA HIS 132 9.807 -3.021 17.435 1017 HB2 HIS 132 2HB HIS 132 8.052 -2.116 18.988 1018 HB3 HIS 132 1HB HIS 132 7.065 -3.524 18.621 1019 HD1 HIS 132 1HD HIS 132 10.030 -2.416 20.606 1020 HD2 HIS 132 2HD HIS 132 7.956 -5.919 19.790 1021 HE1 HIS 132 1HE HIS 132 10.766 -4.076 22.336 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -23.558 29.677 4.154 2 H2 MET 1 2HT MET 1 -23.546 28.606 2.860 3 H3 MET 1 3HT MET 1 -23.365 30.250 2.568 4 HA MET 1 HA MET 1 -21.300 29.136 2.353 5 HB2 MET 1 2HB MET 1 -21.192 31.403 3.269 6 HB3 MET 1 1HB MET 1 -21.482 30.790 4.888 7 HG2 MET 1 2HG MET 1 -19.335 29.595 4.797 8 HG3 MET 1 1HG MET 1 -19.049 30.268 3.196 9 HE1 MET 1 2HE MET 1 -16.482 32.136 5.501 10 HE2 MET 1 3HE MET 1 -16.692 31.098 4.094 11 HE3 MET 1 1HE MET 1 -17.050 30.477 5.705 12 H GLY 2 H GLY 2 -19.924 27.486 2.989 13 HA2 GLY 2 2HA GLY 2 -19.594 26.552 5.566 14 HA3 GLY 2 1HA GLY 2 -20.842 25.570 4.795 15 H SER 3 H SER 3 -18.622 24.272 5.456 16 HA SER 3 HA SER 3 -16.859 24.229 3.195 17 HB2 SER 3 2HB SER 3 -17.061 22.339 5.564 18 HB3 SER 3 1HB SER 3 -15.725 22.425 4.412 19 HG SER 3 HG SER 3 -16.124 23.836 6.630 20 H GLN 4 H GLN 4 -18.140 23.747 1.509 21 HA GLN 4 HA GLN 4 -20.142 21.743 1.563 22 HB2 GLN 4 2HB GLN 4 -18.861 23.079 -0.825 23 HB3 GLN 4 1HB GLN 4 -20.371 22.183 -0.822 24 HG2 GLN 4 2HG GLN 4 -19.832 24.798 0.582 25 HG3 GLN 4 1HG GLN 4 -20.801 24.562 -0.866 26 HE21 GLN 4 1HE2 GLN 4 -22.840 23.616 -0.669 27 HE22 GLN 4 2HE2 GLN 4 -23.648 23.541 0.856 28 H LYS 5 H LYS 5 -19.480 19.738 1.902 29 HA LYS 5 HA LYS 5 -17.411 18.772 0.120 30 HB2 LYS 5 2HB LYS 5 -17.071 16.862 1.769 31 HB3 LYS 5 1HB LYS 5 -16.556 18.444 2.307 32 HG2 LYS 5 2HG LYS 5 -17.547 17.364 4.167 33 HG3 LYS 5 1HG LYS 5 -18.698 18.579 3.631 34 HD2 LYS 5 2HD LYS 5 -19.975 16.850 2.473 35 HD3 LYS 5 1HD LYS 5 -18.814 15.633 2.994 36 HE2 LYS 5 2HE LYS 5 -20.823 15.633 4.400 37 HE3 LYS 5 1HE LYS 5 -19.377 16.044 5.316 38 HZ1 LYS 5 3HZ LYS 5 -20.015 18.351 5.285 39 HZ2 LYS 5 1HZ LYS 5 -21.283 17.445 5.859 40 HZ3 LYS 5 2HZ LYS 5 -21.355 18.056 4.303 41 H ARG 6 H ARG 6 -17.697 16.969 -1.100 42 HA ARG 6 HA ARG 6 -20.415 15.903 -1.138 43 HB2 ARG 6 2HB ARG 6 -20.156 17.744 -2.839 44 HB3 ARG 6 1HB ARG 6 -18.874 16.800 -3.585 45 HG2 ARG 6 2HG ARG 6 -20.885 16.472 -4.841 46 HG3 ARG 6 1HG ARG 6 -20.532 14.975 -3.968 47 HD2 ARG 6 2HD ARG 6 -22.132 15.649 -2.223 48 HD3 ARG 6 1HD ARG 6 -22.506 17.103 -3.138 49 HE ARG 6 HE ARG 6 -23.034 14.360 -4.059 50 HH11 ARG 6 1HH1 ARG 6 -23.851 17.799 -4.079 51 HH12 ARG 6 2HH1 ARG 6 -25.402 17.577 -4.728 52 HH21 ARG 6 1HH2 ARG 6 -25.167 14.045 -4.945 53 HH22 ARG 6 2HH2 ARG 6 -26.187 15.366 -5.236 54 H LEU 7 H LEU 7 -20.414 13.733 -1.459 55 HA LEU 7 HA LEU 7 -17.847 12.443 -1.613 56 HB2 LEU 7 2HB LEU 7 -20.613 11.248 -1.365 57 HB3 LEU 7 1HB LEU 7 -19.105 10.385 -1.212 58 HG LEU 7 HG LEU 7 -20.070 12.525 0.687 59 HD11 LEU 7 1HD1 LEU 7 -19.953 9.530 0.980 60 HD12 LEU 7 2HD1 LEU 7 -21.418 10.507 0.832 61 HD13 LEU 7 3HD1 LEU 7 -20.385 10.672 2.250 62 HD21 LEU 7 3HD2 LEU 7 -17.639 12.418 0.559 63 HD22 LEU 7 1HD2 LEU 7 -17.692 10.674 0.828 64 HD23 LEU 7 2HD2 LEU 7 -18.219 11.779 2.099 65 H VAL 8 H VAL 8 -17.097 12.506 -3.637 66 HA VAL 8 HA VAL 8 -18.908 11.751 -5.752 67 HB VAL 8 HB VAL 8 -16.937 12.191 -7.330 68 HG11 VAL 8 1HG1 VAL 8 -17.204 14.629 -7.217 69 HG12 VAL 8 2HG1 VAL 8 -17.910 14.474 -5.609 70 HG13 VAL 8 3HG1 VAL 8 -18.746 13.796 -7.007 71 HG21 VAL 8 3HG2 VAL 8 -15.104 13.598 -6.463 72 HG22 VAL 8 1HG2 VAL 8 -15.114 12.017 -5.682 73 HG23 VAL 8 2HG2 VAL 8 -15.744 13.424 -4.829 74 H GLN 9 H GLN 9 -19.341 9.776 -5.406 75 HA GLN 9 HA GLN 9 -17.289 7.866 -4.824 76 HB2 GLN 9 2HB GLN 9 -20.248 7.460 -5.200 77 HB3 GLN 9 1HB GLN 9 -19.110 6.248 -4.631 78 HG2 GLN 9 2HG GLN 9 -19.778 8.835 -3.232 79 HG3 GLN 9 1HG GLN 9 -20.389 7.243 -2.803 80 HE21 GLN 9 1HE2 GLN 9 -19.559 7.385 -0.758 81 HE22 GLN 9 2HE2 GLN 9 -17.867 7.275 -0.411 82 H ARG 10 H ARG 10 -16.650 6.237 -6.039 83 HA ARG 10 HA ARG 10 -17.483 6.197 -8.806 84 HB2 ARG 10 2HB ARG 10 -14.936 6.019 -9.311 85 HB3 ARG 10 1HB ARG 10 -15.645 7.607 -9.038 86 HG2 ARG 10 2HG ARG 10 -14.887 7.541 -6.720 87 HG3 ARG 10 1HG ARG 10 -14.164 5.961 -7.004 88 HD2 ARG 10 2HD ARG 10 -13.402 8.449 -8.529 89 HD3 ARG 10 1HD ARG 10 -12.582 7.921 -7.065 90 HE ARG 10 HE ARG 10 -12.719 5.846 -8.984 91 HH11 ARG 10 1HH1 ARG 10 -10.999 8.848 -8.268 92 HH12 ARG 10 2HH1 ARG 10 -9.535 8.409 -8.993 93 HH21 ARG 10 1HH2 ARG 10 -10.719 5.146 -9.938 94 HH22 ARG 10 2HH2 ARG 10 -9.358 6.165 -10.007 95 H VAL 11 H VAL 11 -17.938 4.224 -9.328 96 HA VAL 11 HA VAL 11 -16.947 2.061 -7.706 97 HB VAL 11 HB VAL 11 -19.325 1.924 -8.150 98 HG11 VAL 11 1HG1 VAL 11 -19.510 3.281 -10.125 99 HG12 VAL 11 2HG1 VAL 11 -20.266 1.713 -10.406 100 HG13 VAL 11 3HG1 VAL 11 -18.672 2.060 -11.079 101 HG21 VAL 11 3HG2 VAL 11 -19.537 -0.255 -9.273 102 HG22 VAL 11 1HG2 VAL 11 -18.205 -0.221 -8.116 103 HG23 VAL 11 2HG2 VAL 11 -17.878 -0.101 -9.844 104 H GLU 12 H GLU 12 -15.047 1.367 -8.140 105 HA GLU 12 HA GLU 12 -13.901 1.876 -10.652 106 HB2 GLU 12 2HB GLU 12 -12.762 0.434 -8.290 107 HB3 GLU 12 1HB GLU 12 -11.867 0.870 -9.739 108 HG2 GLU 12 2HG GLU 12 -13.147 2.746 -7.771 109 HG3 GLU 12 1HG GLU 12 -11.427 2.489 -8.038 110 H ARG 13 H ARG 13 -14.741 0.844 -12.148 111 HA ARG 13 HA ARG 13 -14.574 -2.037 -12.136 112 HB2 ARG 13 2HB ARG 13 -16.166 -0.088 -13.742 113 HB3 ARG 13 1HB ARG 13 -15.756 -1.635 -14.459 114 HG2 ARG 13 2HG ARG 13 -17.135 -1.375 -11.799 115 HG3 ARG 13 1HG ARG 13 -17.995 -1.547 -13.337 116 HD2 ARG 13 2HD ARG 13 -16.797 -3.632 -13.774 117 HD3 ARG 13 1HD ARG 13 -15.936 -3.469 -12.256 118 HE ARG 13 HE ARG 13 -17.862 -3.959 -11.100 119 HH11 ARG 13 1HH1 ARG 13 -18.545 -3.897 -14.580 120 HH12 ARG 13 2HH1 ARG 13 -19.711 -5.131 -14.533 121 HH21 ARG 13 1HH2 ARG 13 -19.494 -5.727 -11.037 122 HH22 ARG 13 2HH2 ARG 13 -20.241 -6.190 -12.488 123 H LYS 14 H LYS 14 -12.392 -1.896 -12.116 124 HA LYS 14 HA LYS 14 -11.029 -0.799 -14.402 125 HB2 LYS 14 2HB LYS 14 -10.264 -1.000 -11.844 126 HB3 LYS 14 1HB LYS 14 -9.766 -2.600 -12.345 127 HG2 LYS 14 2HG LYS 14 -8.769 0.007 -13.504 128 HG3 LYS 14 1HG LYS 14 -7.905 -1.018 -12.363 129 HD2 LYS 14 2HD LYS 14 -7.851 -2.804 -14.036 130 HD3 LYS 14 1HD LYS 14 -8.709 -1.761 -15.174 131 HE2 LYS 14 2HE LYS 14 -6.359 -1.712 -15.687 132 HE3 LYS 14 1HE LYS 14 -6.834 -0.148 -15.039 133 HZ1 LYS 14 3HZ LYS 14 -5.367 -2.315 -13.626 134 HZ2 LYS 14 1HZ LYS 14 -5.873 -0.885 -12.849 135 HZ3 LYS 14 2HZ LYS 14 -4.768 -0.812 -14.102 136 H LEU 15 H LEU 15 -11.560 -2.001 -16.166 137 HA LEU 15 HA LEU 15 -11.983 -4.823 -15.976 138 HB2 LEU 15 2HB LEU 15 -11.789 -3.063 -18.429 139 HB3 LEU 15 1HB LEU 15 -12.081 -4.782 -18.504 140 HG LEU 15 HG LEU 15 -14.154 -3.769 -18.839 141 HD11 LEU 15 1HD1 LEU 15 -15.534 -4.455 -16.984 142 HD12 LEU 15 2HD1 LEU 15 -14.105 -4.585 -15.960 143 HD13 LEU 15 3HD1 LEU 15 -14.287 -5.648 -17.359 144 HD21 LEU 15 3HD2 LEU 15 -15.154 -2.086 -17.372 145 HD22 LEU 15 1HD2 LEU 15 -13.649 -1.518 -18.097 146 HD23 LEU 15 2HD2 LEU 15 -13.673 -2.049 -16.415 147 H GLU 16 H GLU 16 -10.289 -5.866 -15.339 148 HA GLU 16 HA GLU 16 -8.079 -6.295 -17.089 149 HB2 GLU 16 2HB GLU 16 -7.416 -4.184 -15.970 150 HB3 GLU 16 1HB GLU 16 -7.709 -4.924 -14.412 151 HG2 GLU 16 2HG GLU 16 -5.832 -6.392 -14.704 152 HG3 GLU 16 1HG GLU 16 -5.599 -5.826 -16.360 153 H GLN 17 H GLN 17 -7.048 -8.238 -16.425 154 HA GLN 17 HA GLN 17 -8.694 -9.920 -14.794 155 HB2 GLN 17 2HB GLN 17 -5.974 -10.469 -15.995 156 HB3 GLN 17 1HB GLN 17 -7.071 -11.674 -15.343 157 HG2 GLN 17 2HG GLN 17 -8.664 -11.252 -17.094 158 HG3 GLN 17 1HG GLN 17 -7.703 -9.908 -17.696 159 HE21 GLN 17 1HE2 GLN 17 -7.447 -10.754 -19.688 160 HE22 GLN 17 2HE2 GLN 17 -6.460 -12.125 -20.047 161 H THR 18 H THR 18 -8.615 -8.867 -12.831 162 HA THR 18 HA THR 18 -6.063 -8.660 -11.503 163 HB THR 18 HB THR 18 -8.766 -7.661 -10.650 164 HG1 THR 18 1HG THR 18 -7.830 -6.896 -12.744 165 HG21 THR 18 3HG2 THR 18 -7.454 -6.104 -9.284 166 HG22 THR 18 1HG2 THR 18 -5.965 -6.840 -9.899 167 HG23 THR 18 2HG2 THR 18 -7.072 -7.794 -8.906 168 H VAL 19 H VAL 19 -5.586 -10.183 -10.057 169 HA VAL 19 HA VAL 19 -7.608 -12.083 -9.245 170 HB VAL 19 HB VAL 19 -4.677 -12.013 -8.451 171 HG11 VAL 19 1HG1 VAL 19 -6.059 -13.355 -6.949 172 HG12 VAL 19 2HG1 VAL 19 -4.991 -14.387 -7.895 173 HG13 VAL 19 3HG1 VAL 19 -6.697 -14.256 -8.323 174 HG21 VAL 19 3HG2 VAL 19 -5.998 -13.549 -10.683 175 HG22 VAL 19 1HG2 VAL 19 -4.318 -13.726 -10.176 176 HG23 VAL 19 2HG2 VAL 19 -4.876 -12.203 -10.868 177 H GLY 20 H GLY 20 -8.876 -10.840 -8.041 178 HA2 GLY 20 2HA GLY 20 -8.338 -10.592 -5.296 179 HA3 GLY 20 1HA GLY 20 -8.123 -9.016 -6.062 180 H ASP 21 H ASP 21 -10.344 -11.642 -6.719 181 HA ASP 21 HA ASP 21 -12.529 -9.822 -7.097 182 HB2 ASP 21 2HB ASP 21 -13.854 -11.775 -7.665 183 HB3 ASP 21 1HB ASP 21 -12.287 -11.896 -8.449 184 H ALA 22 H ALA 22 -11.141 -11.218 -4.434 185 HA ALA 22 HA ALA 22 -13.346 -11.626 -2.747 186 HB1 ALA 22 1HB ALA 22 -11.755 -11.350 -0.893 187 HB2 ALA 22 2HB ALA 22 -10.566 -10.693 -2.018 188 HB3 ALA 22 3HB ALA 22 -11.081 -12.376 -2.159 189 H PHE 23 H PHE 23 -11.607 -8.797 -3.687 190 HA PHE 23 HA PHE 23 -12.890 -7.091 -1.809 191 HB2 PHE 23 2HB PHE 23 -11.345 -6.644 -4.300 192 HB3 PHE 23 1HB PHE 23 -11.845 -5.292 -3.257 193 HD1 PHE 23 2HD PHE 23 -10.957 -5.316 -0.862 194 HD2 PHE 23 1HD PHE 23 -9.410 -7.856 -3.905 195 HE1 PHE 23 2HE PHE 23 -8.940 -5.701 0.490 196 HE2 PHE 23 1HE PHE 23 -7.392 -8.249 -2.559 197 HZ PHE 23 HZ PHE 23 -7.155 -7.171 -0.359 198 H ALA 24 H ALA 24 -13.430 -8.117 -5.096 199 HA ALA 24 HA ALA 24 -15.508 -6.323 -5.741 200 HB1 ALA 24 1HB ALA 24 -15.061 -9.117 -6.784 201 HB2 ALA 24 2HB ALA 24 -14.339 -7.652 -7.452 202 HB3 ALA 24 3HB ALA 24 -16.084 -7.889 -7.525 203 H ARG 25 H ARG 25 -15.542 -9.562 -4.257 204 HA ARG 25 HA ARG 25 -18.345 -9.712 -4.147 205 HB2 ARG 25 2HB ARG 25 -18.084 -11.634 -2.711 206 HB3 ARG 25 1HB ARG 25 -16.882 -11.711 -3.986 207 HG2 ARG 25 2HG ARG 25 -15.208 -10.851 -2.388 208 HG3 ARG 25 1HG ARG 25 -16.432 -10.908 -1.129 209 HD2 ARG 25 2HD ARG 25 -15.473 -13.291 -2.722 210 HD3 ARG 25 1HD ARG 25 -14.907 -12.863 -1.112 211 HE ARG 25 HE ARG 25 -17.766 -13.316 -1.479 212 HH11 ARG 25 1HH1 ARG 25 -14.692 -14.456 -0.100 213 HH12 ARG 25 2HH1 ARG 25 -15.400 -15.711 0.791 214 HH21 ARG 25 1HH2 ARG 25 -18.720 -15.024 -0.252 215 HH22 ARG 25 2HH2 ARG 25 -17.748 -16.060 0.690 216 H ILE 26 H ILE 26 -16.027 -8.145 -2.075 217 HA ILE 26 HA ILE 26 -18.031 -7.765 -0.029 218 HB ILE 26 HB ILE 26 -15.248 -6.550 -0.184 219 HG12 ILE 26 2HG1 ILE 26 -16.265 -8.935 1.393 220 HG13 ILE 26 1HG1 ILE 26 -15.266 -9.028 -0.052 221 HG21 ILE 26 1HG2 ILE 26 -15.568 -6.083 2.208 222 HG22 ILE 26 2HG2 ILE 26 -17.201 -6.741 2.127 223 HG23 ILE 26 3HG2 ILE 26 -16.800 -5.269 1.242 224 HD11 ILE 26 3HD1 ILE 26 -13.948 -9.362 1.961 225 HD12 ILE 26 1HD1 ILE 26 -14.471 -7.795 2.577 226 HD13 ILE 26 2HD1 ILE 26 -13.457 -7.884 1.136 227 H PHE 27 H PHE 27 -16.320 -5.617 -2.335 228 HA PHE 27 HA PHE 27 -17.820 -3.329 -1.554 229 HB2 PHE 27 2HB PHE 27 -16.013 -3.822 -3.911 230 HB3 PHE 27 1HB PHE 27 -16.879 -2.308 -3.695 231 HD1 PHE 27 2HD PHE 27 -16.406 -0.905 -1.698 232 HD2 PHE 27 1HD PHE 27 -14.032 -4.288 -2.695 233 HE1 PHE 27 2HE PHE 27 -14.610 -0.061 -0.255 234 HE2 PHE 27 1HE PHE 27 -12.226 -3.451 -1.253 235 HZ PHE 27 HZ PHE 27 -12.513 -1.331 -0.030 236 H GLY 28 H GLY 28 -18.364 -5.776 -3.977 237 HA2 GLY 28 2HA GLY 28 -20.621 -6.221 -4.576 238 HA3 GLY 28 1HA GLY 28 -20.967 -4.503 -4.439 239 H GLY 29 H GLY 29 -19.752 -3.106 -6.007 240 HA2 GLY 29 2HA GLY 29 -19.869 -4.438 -8.622 241 HA3 GLY 29 1HA GLY 29 -20.125 -2.721 -8.348 242 H SER 30 H SER 30 -17.881 -2.399 -6.600 243 HA SER 30 HA SER 30 -15.854 -2.073 -8.595 244 HB2 SER 30 2HB SER 30 -16.256 -0.354 -6.874 245 HB3 SER 30 1HB SER 30 -15.806 -1.509 -5.617 246 HG SER 30 HG SER 30 -14.130 -0.026 -6.327 247 H ILE 31 H ILE 31 -14.013 -3.191 -8.757 248 HA ILE 31 HA ILE 31 -13.861 -5.643 -7.168 249 HB ILE 31 HB ILE 31 -13.887 -6.128 -9.534 250 HG12 ILE 31 2HG1 ILE 31 -11.053 -6.464 -8.511 251 HG13 ILE 31 1HG1 ILE 31 -12.391 -7.532 -8.129 252 HG21 ILE 31 1HG2 ILE 31 -13.166 -3.998 -10.428 253 HG22 ILE 31 2HG2 ILE 31 -12.195 -5.304 -11.110 254 HG23 ILE 31 3HG2 ILE 31 -11.525 -4.282 -9.841 255 HD11 ILE 31 3HD1 ILE 31 -12.549 -8.149 -10.485 256 HD12 ILE 31 1HD1 ILE 31 -10.950 -8.480 -9.822 257 HD13 ILE 31 2HD1 ILE 31 -11.203 -7.070 -10.851 258 H VAL 32 H VAL 32 -12.118 -2.740 -7.916 259 HA VAL 32 HA VAL 32 -10.346 -3.364 -5.756 260 HB VAL 32 HB VAL 32 -9.026 -4.073 -7.694 261 HG11 VAL 32 1HG1 VAL 32 -10.123 -2.838 -9.473 262 HG12 VAL 32 2HG1 VAL 32 -8.382 -2.555 -9.508 263 HG13 VAL 32 3HG1 VAL 32 -9.460 -1.326 -8.852 264 HG21 VAL 32 3HG2 VAL 32 -7.058 -2.615 -7.470 265 HG22 VAL 32 1HG2 VAL 32 -7.790 -2.980 -5.908 266 HG23 VAL 32 2HG2 VAL 32 -8.056 -1.411 -6.655 267 HA PRO 33 HA PRO 33 -11.729 0.824 -5.090 268 HB2 PRO 33 2HB PRO 33 -10.368 1.220 -2.727 269 HB3 PRO 33 1HB PRO 33 -11.933 0.407 -2.823 270 HG2 PRO 33 2HG PRO 33 -9.203 -0.768 -2.587 271 HG3 PRO 33 1HG PRO 33 -10.722 -1.300 -1.848 272 HD2 PRO 33 2HD PRO 33 -9.620 -2.506 -4.023 273 HD3 PRO 33 1HD PRO 33 -11.369 -2.465 -3.724 274 H GLN 34 H GLN 34 -10.681 1.794 -6.710 275 HA GLN 34 HA GLN 34 -7.807 2.136 -6.547 276 HB2 GLN 34 2HB GLN 34 -8.952 1.377 -8.689 277 HB3 GLN 34 1HB GLN 34 -9.559 3.022 -8.844 278 HG2 GLN 34 2HG GLN 34 -7.339 3.890 -8.988 279 HG3 GLN 34 1HG GLN 34 -6.653 2.309 -8.645 280 HE21 GLN 34 1HE2 GLN 34 -5.523 2.170 -10.446 281 HE22 GLN 34 2HE2 GLN 34 -6.198 2.004 -12.039 282 H GLU 35 H GLU 35 -10.506 3.769 -5.538 283 HA GLU 35 HA GLU 35 -9.739 6.453 -5.865 284 HB2 GLU 35 2HB GLU 35 -10.946 5.363 -3.310 285 HB3 GLU 35 1HB GLU 35 -11.091 6.985 -3.951 286 HG2 GLU 35 2HG GLU 35 -13.146 6.195 -4.463 287 HG3 GLU 35 1HG GLU 35 -12.285 5.710 -5.924 288 H VAL 36 H VAL 36 -8.727 3.902 -3.798 289 HA VAL 36 HA VAL 36 -7.160 5.308 -1.933 290 HB VAL 36 HB VAL 36 -6.655 2.490 -2.945 291 HG11 VAL 36 1HG1 VAL 36 -5.996 3.801 -0.312 292 HG12 VAL 36 2HG1 VAL 36 -4.849 3.419 -1.592 293 HG13 VAL 36 3HG1 VAL 36 -5.682 2.118 -0.739 294 HG21 VAL 36 3HG2 VAL 36 -8.439 3.396 -0.696 295 HG22 VAL 36 1HG2 VAL 36 -8.064 1.724 -1.115 296 HG23 VAL 36 2HG2 VAL 36 -8.980 2.737 -2.242 297 H GLU 37 H GLU 37 -6.238 3.743 -5.046 298 HA GLU 37 HA GLU 37 -3.536 4.477 -4.922 299 HB2 GLU 37 2HB GLU 37 -5.223 4.136 -7.412 300 HB3 GLU 37 1HB GLU 37 -3.483 4.328 -7.413 301 HG2 GLU 37 2HG GLU 37 -3.453 2.220 -5.955 302 HG3 GLU 37 1HG GLU 37 -5.122 2.003 -6.487 303 H ALA 38 H ALA 38 -6.278 6.167 -6.319 304 HA ALA 38 HA ALA 38 -4.979 8.323 -7.480 305 HB1 ALA 38 1HB ALA 38 -7.345 7.825 -7.819 306 HB2 ALA 38 2HB ALA 38 -7.106 9.502 -7.323 307 HB3 ALA 38 3HB ALA 38 -7.688 8.315 -6.160 308 H LEU 39 H LEU 39 -6.407 8.199 -4.216 309 HA LEU 39 HA LEU 39 -5.384 10.752 -3.538 310 HB2 LEU 39 2HB LEU 39 -6.738 8.612 -1.937 311 HB3 LEU 39 1HB LEU 39 -5.978 9.956 -1.118 312 HG LEU 39 HG LEU 39 -8.366 10.326 -1.327 313 HD11 LEU 39 1HD1 LEU 39 -8.371 12.528 -2.351 314 HD12 LEU 39 2HD1 LEU 39 -6.813 12.195 -3.098 315 HD13 LEU 39 3HD1 LEU 39 -6.951 12.272 -1.342 316 HD21 LEU 39 3HD2 LEU 39 -8.839 9.028 -3.341 317 HD22 LEU 39 1HD2 LEU 39 -7.957 10.199 -4.319 318 HD23 LEU 39 2HD2 LEU 39 -9.448 10.677 -3.507 319 H LEU 40 H LEU 40 -4.099 7.552 -3.197 320 HA LEU 40 HA LEU 40 -2.053 8.311 -1.391 321 HB2 LEU 40 2HB LEU 40 -2.617 5.921 -3.023 322 HB3 LEU 40 1HB LEU 40 -0.948 6.166 -2.559 323 HG LEU 40 HG LEU 40 -2.206 4.660 -1.052 324 HD11 LEU 40 1HD1 LEU 40 -1.392 5.654 1.020 325 HD12 LEU 40 2HD1 LEU 40 -1.227 7.209 0.214 326 HD13 LEU 40 3HD1 LEU 40 -0.224 5.847 -0.284 327 HD21 LEU 40 3HD2 LEU 40 -4.382 5.779 -1.105 328 HD22 LEU 40 1HD2 LEU 40 -3.691 7.165 -0.267 329 HD23 LEU 40 2HD2 LEU 40 -3.796 5.606 0.550 330 H ARG 41 H ARG 41 -2.177 8.157 -4.903 331 HA ARG 41 HA ARG 41 0.560 8.845 -5.304 332 HB2 ARG 41 2HB ARG 41 -1.789 9.486 -7.147 333 HB3 ARG 41 1HB ARG 41 -0.094 9.428 -7.610 334 HG2 ARG 41 2HG ARG 41 -0.031 7.050 -7.207 335 HG3 ARG 41 1HG ARG 41 -1.700 7.096 -6.643 336 HD2 ARG 41 2HD ARG 41 -1.761 6.296 -8.889 337 HD3 ARG 41 1HD ARG 41 -2.341 7.959 -8.926 338 HE ARG 41 HE ARG 41 0.354 8.101 -9.421 339 HH11 ARG 41 1HH1 ARG 41 -2.478 6.673 -11.068 340 HH12 ARG 41 2HH1 ARG 41 -1.678 6.593 -12.568 341 HH21 ARG 41 1HH2 ARG 41 1.383 7.944 -11.535 342 HH22 ARG 41 2HH2 ARG 41 0.503 7.326 -12.838 343 H ARG 42 H ARG 42 -2.351 10.586 -4.717 344 HA ARG 42 HA ARG 42 -1.397 13.215 -5.142 345 HB2 ARG 42 2HB ARG 42 -3.859 12.373 -4.958 346 HB3 ARG 42 1HB ARG 42 -3.626 12.464 -3.227 347 HG2 ARG 42 2HG ARG 42 -3.431 14.805 -5.141 348 HG3 ARG 42 1HG ARG 42 -4.823 14.416 -4.144 349 HD2 ARG 42 2HD ARG 42 -3.574 14.841 -2.139 350 HD3 ARG 42 1HD ARG 42 -2.082 15.028 -3.053 351 HE ARG 42 HE ARG 42 -4.380 16.860 -3.195 352 HH11 ARG 42 1HH1 ARG 42 -0.906 16.277 -3.533 353 HH12 ARG 42 2HH1 ARG 42 -0.456 17.919 -3.513 354 HH21 ARG 42 1HH2 ARG 42 -3.788 19.134 -3.233 355 HH22 ARG 42 2HH2 ARG 42 -2.163 19.600 -3.366 356 H GLU 43 H GLU 43 -1.785 11.227 -2.179 357 HA GLU 43 HA GLU 43 -0.760 13.094 -0.363 358 HB2 GLU 43 2HB GLU 43 -1.001 10.109 -0.245 359 HB3 GLU 43 1HB GLU 43 -0.243 11.017 1.054 360 HG2 GLU 43 2HG GLU 43 -3.053 11.374 0.056 361 HG3 GLU 43 1HG GLU 43 -2.568 10.563 1.549 362 H ALA 44 H ALA 44 0.827 10.637 -2.256 363 HA ALA 44 HA ALA 44 3.354 10.802 -1.120 364 HB1 ALA 44 1HB ALA 44 2.624 9.098 -2.736 365 HB2 ALA 44 2HB ALA 44 4.162 9.840 -3.177 366 HB3 ALA 44 3HB ALA 44 2.669 10.318 -4.013 367 H ALA 45 H ALA 45 1.924 12.675 -3.775 368 HA ALA 45 HA ALA 45 4.212 14.363 -4.116 369 HB1 ALA 45 1HB ALA 45 1.358 14.818 -4.991 370 HB2 ALA 45 2HB ALA 45 2.592 13.965 -5.919 371 HB3 ALA 45 3HB ALA 45 2.775 15.685 -5.580 372 H ASP 46 H ASP 46 1.289 14.520 -2.245 373 HA ASP 46 HA ASP 46 1.366 17.255 -1.488 374 HB2 ASP 46 2HB ASP 46 -0.678 15.861 -1.337 375 HB3 ASP 46 1HB ASP 46 0.082 14.922 -0.060 376 H GLY 47 H GLY 47 2.822 14.372 -0.169 377 HA2 GLY 47 2HA GLY 47 3.742 15.826 2.174 378 HA3 GLY 47 1HA GLY 47 3.906 14.102 1.883 379 H ILE 48 H ILE 48 4.829 15.798 -0.860 380 HA ILE 48 HA ILE 48 7.515 15.058 -0.615 381 HB ILE 48 HB ILE 48 6.029 16.776 -2.587 382 HG12 ILE 48 2HG1 ILE 48 5.683 14.400 -2.715 383 HG13 ILE 48 1HG1 ILE 48 6.573 14.961 -4.134 384 HG21 ILE 48 1HG2 ILE 48 8.215 17.759 -2.449 385 HG22 ILE 48 2HG2 ILE 48 8.006 16.910 -3.989 386 HG23 ILE 48 3HG2 ILE 48 8.965 16.182 -2.688 387 HD11 ILE 48 3HD1 ILE 48 7.668 13.477 -1.750 388 HD12 ILE 48 1HD1 ILE 48 8.651 14.175 -3.040 389 HD13 ILE 48 2HD1 ILE 48 7.495 12.907 -3.402 390 H GLN 49 H GLN 49 9.227 16.005 0.075 391 HA GLN 49 HA GLN 49 9.010 18.791 0.902 392 HB2 GLN 49 2HB GLN 49 10.440 16.528 2.244 393 HB3 GLN 49 1HB GLN 49 10.714 18.216 2.647 394 HG2 GLN 49 2HG GLN 49 8.401 18.455 3.196 395 HG3 GLN 49 1HG GLN 49 8.097 16.755 2.818 396 HE21 GLN 49 1HE2 GLN 49 7.497 16.174 4.858 397 HE22 GLN 49 2HE2 GLN 49 8.583 16.154 6.202 398 H SER 50 H SER 50 10.696 20.054 0.613 399 HA SER 50 HA SER 50 12.356 19.318 -1.609 400 HB2 SER 50 2HB SER 50 12.169 21.914 -0.075 401 HB3 SER 50 1HB SER 50 13.055 21.671 -1.583 402 HG SER 50 HG SER 50 10.353 20.940 -1.468 403 H LEU 51 H LEU 51 13.847 17.966 -1.043 404 HA LEU 51 HA LEU 51 15.545 18.515 1.267 405 HB2 LEU 51 2HB LEU 51 14.332 16.255 0.842 406 HB3 LEU 51 1HB LEU 51 15.515 16.001 -0.419 407 HG LEU 51 HG LEU 51 17.337 16.051 1.314 408 HD11 LEU 51 1HD1 LEU 51 16.760 15.968 3.631 409 HD12 LEU 51 2HD1 LEU 51 15.058 16.179 3.245 410 HD13 LEU 51 3HD1 LEU 51 16.205 17.490 2.933 411 HD21 LEU 51 3HD2 LEU 51 16.806 13.932 2.344 412 HD22 LEU 51 1HD2 LEU 51 16.329 13.933 0.643 413 HD23 LEU 51 2HD2 LEU 51 15.111 14.137 1.901 414 H GLN 52 H GLN 52 17.817 17.200 0.346 415 HA GLN 52 HA GLN 52 19.188 19.097 -1.123 416 HB2 GLN 52 2HB GLN 52 19.785 16.168 -0.846 417 HB3 GLN 52 1HB GLN 52 20.930 17.412 -1.317 418 HG2 GLN 52 2HG GLN 52 20.688 18.472 0.870 419 HG3 GLN 52 1HG GLN 52 19.534 17.225 1.340 420 HE21 GLN 52 1HE2 GLN 52 22.812 17.941 0.654 421 HE22 GLN 52 2HE2 GLN 52 23.513 16.516 1.315 422 H GLY 53 H GLY 53 20.267 18.756 -3.193 423 HA2 GLY 53 2HA GLY 53 18.279 18.554 -5.199 424 HA3 GLY 53 1HA GLY 53 19.975 18.932 -5.435 425 H ASN 54 H ASN 54 19.766 16.116 -3.773 426 HA ASN 54 HA ASN 54 20.544 14.481 -5.977 427 HB2 ASN 54 2HB ASN 54 21.356 14.086 -3.658 428 HB3 ASN 54 1HB ASN 54 19.713 13.716 -3.156 429 HD21 ASN 54 1HD2 ASN 54 20.348 11.667 -2.444 430 HD22 ASN 54 2HD2 ASN 54 20.715 10.394 -3.534 431 H ARG 55 H ARG 55 17.661 14.852 -3.938 432 HA ARG 55 HA ARG 55 15.771 14.412 -5.864 433 HB2 ARG 55 2HB ARG 55 14.897 12.124 -5.167 434 HB3 ARG 55 1HB ARG 55 16.365 12.118 -6.135 435 HG2 ARG 55 2HG ARG 55 17.659 11.848 -4.096 436 HG3 ARG 55 1HG ARG 55 16.169 11.772 -3.166 437 HD2 ARG 55 2HD ARG 55 16.986 9.493 -3.632 438 HD3 ARG 55 1HD ARG 55 15.429 9.796 -4.407 439 HE ARG 55 HE ARG 55 17.596 10.359 -6.144 440 HH11 ARG 55 1HH1 ARG 55 15.793 7.589 -4.797 441 HH12 ARG 55 2HH1 ARG 55 16.068 6.599 -6.138 442 HH21 ARG 55 1HH2 ARG 55 17.981 8.990 -7.949 443 HH22 ARG 55 2HH2 ARG 55 17.365 7.405 -7.977 444 H LEU 56 H LEU 56 13.565 13.924 -4.859 445 HA LEU 56 HA LEU 56 13.361 15.697 -2.531 446 HB2 LEU 56 2HB LEU 56 11.234 14.580 -4.340 447 HB3 LEU 56 1HB LEU 56 10.999 15.775 -3.082 448 HG LEU 56 HG LEU 56 12.649 16.169 -5.573 449 HD11 LEU 56 1HD1 LEU 56 10.247 16.052 -5.997 450 HD12 LEU 56 2HD1 LEU 56 10.887 17.672 -6.261 451 HD13 LEU 56 3HD1 LEU 56 9.980 17.314 -4.792 452 HD21 LEU 56 3HD2 LEU 56 12.746 18.511 -4.861 453 HD22 LEU 56 1HD2 LEU 56 13.518 17.449 -3.685 454 HD23 LEU 56 2HD2 LEU 56 11.905 18.091 -3.371 455 H LEU 57 H LEU 57 12.070 15.301 -0.773 456 HA LEU 57 HA LEU 57 12.303 12.555 0.135 457 HB2 LEU 57 2HB LEU 57 13.156 14.653 1.392 458 HB3 LEU 57 1HB LEU 57 11.478 15.013 1.684 459 HG LEU 57 HG LEU 57 12.662 14.033 3.620 460 HD11 LEU 57 1HD1 LEU 57 10.272 13.870 3.526 461 HD12 LEU 57 2HD1 LEU 57 10.961 12.413 4.249 462 HD13 LEU 57 3HD1 LEU 57 10.383 12.385 2.584 463 HD21 LEU 57 3HD2 LEU 57 13.117 11.615 3.625 464 HD22 LEU 57 1HD2 LEU 57 14.148 12.515 2.515 465 HD23 LEU 57 2HD2 LEU 57 12.793 11.582 1.889 466 H ALA 58 H ALA 58 10.562 11.290 0.312 467 HA ALA 58 HA ALA 58 7.881 12.459 0.072 468 HB1 ALA 58 1HB ALA 58 7.242 10.312 -0.979 469 HB2 ALA 58 2HB ALA 58 8.921 9.779 -0.879 470 HB3 ALA 58 3HB ALA 58 8.487 11.153 -1.896 471 HA PRO 59 HA PRO 59 6.824 10.554 3.998 472 HB2 PRO 59 2HB PRO 59 4.414 9.457 2.664 473 HB3 PRO 59 1HB PRO 59 4.532 10.495 4.090 474 HG2 PRO 59 2HG PRO 59 3.685 11.497 1.792 475 HG3 PRO 59 1HG PRO 59 4.796 12.422 2.820 476 HD2 PRO 59 2HD PRO 59 5.390 10.837 0.352 477 HD3 PRO 59 1HD PRO 59 5.981 12.445 0.834 478 H ASN 60 H ASN 60 6.646 8.571 5.053 479 HA ASN 60 HA ASN 60 7.133 6.232 3.352 480 HB2 ASN 60 2HB ASN 60 8.507 5.257 5.125 481 HB3 ASN 60 1HB ASN 60 9.189 6.770 4.545 482 HD21 ASN 60 1HD2 ASN 60 9.591 5.373 7.084 483 HD22 ASN 60 2HD2 ASN 60 9.228 6.523 8.302 484 H GLU 61 H GLU 61 5.529 7.504 6.192 485 HA GLU 61 HA GLU 61 4.108 4.974 6.363 486 HB2 GLU 61 2HB GLU 61 5.078 5.665 8.511 487 HB3 GLU 61 1HB GLU 61 4.255 7.204 8.427 488 HG2 GLU 61 2HG GLU 61 2.116 6.201 8.690 489 HG3 GLU 61 1HG GLU 61 2.756 4.587 8.423 490 H TYR 62 H TYR 62 2.339 4.860 5.374 491 HA TYR 62 HA TYR 62 0.811 7.307 4.891 492 HB2 TYR 62 2HB TYR 62 0.976 4.761 3.282 493 HB3 TYR 62 1HB TYR 62 -0.196 6.035 2.964 494 HD1 TYR 62 2HD TYR 62 3.442 5.281 3.056 495 HD2 TYR 62 1HD TYR 62 0.410 7.947 1.711 496 HE1 TYR 62 2HE TYR 62 5.085 6.431 1.654 497 HE2 TYR 62 1HE TYR 62 2.045 9.108 0.299 498 HH TYR 62 HH TYR 62 5.232 7.866 -0.209 499 H ILE 63 H ILE 63 -0.967 7.503 5.919 500 HA ILE 63 HA ILE 63 -2.158 5.147 7.185 501 HB ILE 63 HB ILE 63 -2.230 8.074 7.963 502 HG12 ILE 63 2HG1 ILE 63 -0.906 5.710 9.322 503 HG13 ILE 63 1HG1 ILE 63 -0.074 6.958 8.409 504 HG21 ILE 63 1HG2 ILE 63 -3.418 7.348 9.979 505 HG22 ILE 63 2HG2 ILE 63 -3.481 5.705 9.345 506 HG23 ILE 63 3HG2 ILE 63 -4.338 7.002 8.514 507 HD11 ILE 63 3HD1 ILE 63 -1.607 7.358 10.973 508 HD12 ILE 63 1HD1 ILE 63 -0.782 8.625 10.062 509 HD13 ILE 63 2HD1 ILE 63 0.147 7.320 10.793 510 H ILE 64 H ILE 64 -4.013 4.511 6.186 511 HA ILE 64 HA ILE 64 -5.663 6.643 5.057 512 HB ILE 64 HB ILE 64 -5.693 3.691 4.268 513 HG12 ILE 64 2HG1 ILE 64 -5.135 4.606 1.964 514 HG13 ILE 64 1HG1 ILE 64 -4.791 6.143 2.745 515 HG21 ILE 64 1HG2 ILE 64 -7.366 4.328 2.590 516 HG22 ILE 64 2HG2 ILE 64 -7.350 5.978 3.217 517 HG23 ILE 64 3HG2 ILE 64 -7.919 4.657 4.236 518 HD11 ILE 64 3HD1 ILE 64 -2.779 4.886 2.275 519 HD12 ILE 64 1HD1 ILE 64 -3.378 3.552 3.257 520 HD13 ILE 64 2HD1 ILE 64 -3.010 5.107 4.008 521 H THR 65 H THR 65 -7.403 7.076 6.094 522 HA THR 65 HA THR 65 -8.300 5.176 8.121 523 HB THR 65 HB THR 65 -8.789 8.158 8.057 524 HG1 THR 65 1HG THR 65 -6.545 6.743 8.448 525 HG21 THR 65 3HG2 THR 65 -8.763 6.115 10.297 526 HG22 THR 65 1HG2 THR 65 -10.212 6.790 9.554 527 HG23 THR 65 2HG2 THR 65 -9.118 7.832 10.463 528 H LEU 66 H LEU 66 -10.217 4.358 7.849 529 HA LEU 66 HA LEU 66 -12.179 5.554 6.001 530 HB2 LEU 66 2HB LEU 66 -11.497 2.715 6.690 531 HB3 LEU 66 1HB LEU 66 -13.114 3.097 6.173 532 HG LEU 66 HG LEU 66 -11.820 2.191 4.332 533 HD11 LEU 66 1HD1 LEU 66 -13.507 3.719 3.760 534 HD12 LEU 66 2HD1 LEU 66 -12.120 3.917 2.684 535 HD13 LEU 66 3HD1 LEU 66 -12.406 5.068 3.993 536 HD21 LEU 66 3HD2 LEU 66 -9.582 2.851 5.068 537 HD22 LEU 66 1HD2 LEU 66 -9.979 4.529 4.712 538 HD23 LEU 66 2HD2 LEU 66 -9.899 3.345 3.404 539 H GLY 67 H GLY 67 -14.466 4.958 6.637 540 HA2 GLY 67 2HA GLY 67 -14.936 5.503 9.413 541 HA3 GLY 67 1HA GLY 67 -16.160 5.183 8.178 542 H VAL 68 H VAL 68 -16.499 4.021 10.586 543 HA VAL 68 HA VAL 68 -15.294 1.540 11.051 544 HB VAL 68 HB VAL 68 -18.143 2.328 11.741 545 HG11 VAL 68 1HG1 VAL 68 -17.758 -0.068 12.010 546 HG12 VAL 68 2HG1 VAL 68 -17.952 0.723 13.574 547 HG13 VAL 68 3HG1 VAL 68 -16.345 0.263 13.012 548 HG21 VAL 68 3HG2 VAL 68 -16.548 3.974 12.556 549 HG22 VAL 68 1HG2 VAL 68 -15.591 2.701 13.313 550 HG23 VAL 68 2HG2 VAL 68 -17.217 3.052 13.899 551 H HIS 69 H HIS 69 -18.261 2.236 9.285 552 HA HIS 69 HA HIS 69 -18.984 -0.413 8.575 553 HB2 HIS 69 2HB HIS 69 -20.531 1.534 8.528 554 HB3 HIS 69 1HB HIS 69 -19.605 2.229 7.219 555 HD1 HIS 69 1HD HIS 69 -22.438 0.001 7.897 556 HD2 HIS 69 2HD HIS 69 -19.892 0.778 4.712 557 HE1 HIS 69 1HE HIS 69 -23.588 -0.892 5.860 558 H ASP 70 H ASP 70 -17.114 2.099 7.058 559 HA ASP 70 HA ASP 70 -16.715 0.934 4.537 560 HB2 ASP 70 2HB ASP 70 -15.049 3.009 5.957 561 HB3 ASP 70 1HB ASP 70 -15.163 2.730 4.212 562 H PHE 71 H PHE 71 -14.899 0.899 7.555 563 HA PHE 71 HA PHE 71 -12.569 -0.346 6.644 564 HB2 PHE 71 2HB PHE 71 -12.967 0.785 8.867 565 HB3 PHE 71 1HB PHE 71 -13.869 -0.639 9.359 566 HD1 PHE 71 2HD PHE 71 -10.572 0.440 8.127 567 HD2 PHE 71 1HD PHE 71 -12.757 -2.385 10.389 568 HE1 PHE 71 2HE PHE 71 -8.451 -0.556 8.906 569 HE2 PHE 71 1HE PHE 71 -10.655 -3.398 11.189 570 HZ PHE 71 HZ PHE 71 -8.494 -2.480 10.445 571 H GLU 72 H GLU 72 -15.686 -1.624 7.750 572 HA GLU 72 HA GLU 72 -14.969 -4.341 7.471 573 HB2 GLU 72 2HB GLU 72 -17.628 -2.955 7.513 574 HB3 GLU 72 1HB GLU 72 -17.464 -4.699 7.368 575 HG2 GLU 72 2HG GLU 72 -16.285 -4.756 9.514 576 HG3 GLU 72 1HG GLU 72 -16.436 -3.003 9.633 577 H LYS 73 H LYS 73 -15.895 -1.936 5.183 578 HA LYS 73 HA LYS 73 -16.511 -3.828 3.119 579 HB2 LYS 73 2HB LYS 73 -15.847 -0.896 2.815 580 HB3 LYS 73 1HB LYS 73 -16.572 -1.924 1.595 581 HG2 LYS 73 2HG LYS 73 -17.811 -0.983 4.171 582 HG3 LYS 73 1HG LYS 73 -18.271 -0.527 2.534 583 HD2 LYS 73 2HD LYS 73 -18.523 -3.271 3.765 584 HD3 LYS 73 1HD LYS 73 -19.842 -2.130 3.518 585 HE2 LYS 73 2HE LYS 73 -19.440 -2.272 1.072 586 HE3 LYS 73 1HE LYS 73 -18.186 -3.465 1.371 587 HZ1 LYS 73 3HZ LYS 73 -19.867 -4.916 2.393 588 HZ2 LYS 73 1HZ LYS 73 -20.260 -4.538 0.795 589 HZ3 LYS 73 2HZ LYS 73 -21.049 -3.772 2.080 590 H LEU 74 H LEU 74 -13.680 -2.362 4.368 591 HA LEU 74 HA LEU 74 -11.974 -2.845 2.138 592 HB2 LEU 74 2HB LEU 74 -11.280 -2.683 5.070 593 HB3 LEU 74 1HB LEU 74 -10.133 -2.620 3.749 594 HG LEU 74 HG LEU 74 -12.239 -0.549 4.363 595 HD11 LEU 74 1HD1 LEU 74 -9.250 -0.517 4.687 596 HD12 LEU 74 2HD1 LEU 74 -10.431 -0.622 5.990 597 HD13 LEU 74 3HD1 LEU 74 -10.335 0.835 5.003 598 HD21 LEU 74 3HD2 LEU 74 -11.090 0.796 2.652 599 HD22 LEU 74 1HD2 LEU 74 -11.783 -0.673 1.967 600 HD23 LEU 74 2HD2 LEU 74 -10.051 -0.577 2.276 601 H GLY 75 H GLY 75 -12.897 -4.637 5.014 602 HA2 GLY 75 2HA GLY 75 -13.111 -7.104 4.053 603 HA3 GLY 75 1HA GLY 75 -11.358 -6.943 4.113 604 H ALA 76 H ALA 76 -11.863 -8.858 5.553 605 HA ALA 76 HA ALA 76 -12.626 -8.095 8.259 606 HB1 ALA 76 1HB ALA 76 -13.409 -10.253 7.386 607 HB2 ALA 76 2HB ALA 76 -12.338 -10.490 8.769 608 HB3 ALA 76 3HB ALA 76 -11.740 -10.761 7.132 609 H ASP 77 H ASP 77 -9.861 -8.845 6.345 610 HA ASP 77 HA ASP 77 -8.191 -7.873 8.504 611 HB2 ASP 77 2HB ASP 77 -6.372 -9.490 7.881 612 HB3 ASP 77 1HB ASP 77 -7.786 -10.255 8.584 613 HA PRO 78 HA PRO 78 -7.609 -5.301 4.785 614 HB2 PRO 78 2HB PRO 78 -7.096 -3.247 6.845 615 HB3 PRO 78 1HB PRO 78 -8.239 -3.217 5.498 616 HG2 PRO 78 2HG PRO 78 -9.098 -3.482 8.011 617 HG3 PRO 78 1HG PRO 78 -9.868 -4.373 6.681 618 HD2 PRO 78 2HD PRO 78 -7.852 -5.345 8.688 619 HD3 PRO 78 1HD PRO 78 -9.349 -6.123 8.121 620 H GLU 79 H GLU 79 -5.665 -5.981 7.545 621 HA GLU 79 HA GLU 79 -3.401 -4.539 6.688 622 HB2 GLU 79 2HB GLU 79 -2.143 -5.687 8.462 623 HB3 GLU 79 1HB GLU 79 -3.657 -5.043 9.050 624 HG2 GLU 79 2HG GLU 79 -3.411 -7.113 10.110 625 HG3 GLU 79 1HG GLU 79 -4.567 -7.420 8.813 626 H LEU 80 H LEU 80 -4.650 -7.600 5.779 627 HA LEU 80 HA LEU 80 -2.343 -8.807 4.728 628 HB2 LEU 80 2HB LEU 80 -4.489 -9.976 4.967 629 HB3 LEU 80 1HB LEU 80 -5.209 -8.920 3.772 630 HG LEU 80 HG LEU 80 -3.679 -9.874 2.058 631 HD11 LEU 80 1HD1 LEU 80 -2.923 -11.819 4.230 632 HD12 LEU 80 2HD1 LEU 80 -1.873 -10.599 3.520 633 HD13 LEU 80 3HD1 LEU 80 -2.471 -11.931 2.530 634 HD21 LEU 80 3HD2 LEU 80 -5.943 -10.723 2.300 635 HD22 LEU 80 1HD2 LEU 80 -5.398 -11.869 3.525 636 HD23 LEU 80 2HD2 LEU 80 -4.834 -12.025 1.862 637 H LYS 81 H LYS 81 -4.706 -6.574 3.353 638 HA LYS 81 HA LYS 81 -3.507 -6.384 0.821 639 HB2 LYS 81 2HB LYS 81 -5.888 -5.969 1.206 640 HB3 LYS 81 1HB LYS 81 -5.494 -4.617 2.256 641 HG2 LYS 81 2HG LYS 81 -4.446 -3.480 0.406 642 HG3 LYS 81 1HG LYS 81 -4.856 -4.849 -0.639 643 HD2 LYS 81 2HD LYS 81 -7.231 -4.429 -0.290 644 HD3 LYS 81 1HD LYS 81 -6.853 -3.092 0.800 645 HE2 LYS 81 2HE LYS 81 -7.455 -2.278 -1.427 646 HE3 LYS 81 1HE LYS 81 -5.786 -1.884 -1.030 647 HZ1 LYS 81 3HZ LYS 81 -5.073 -3.768 -2.405 648 HZ2 LYS 81 1HZ LYS 81 -5.989 -2.681 -3.294 649 HZ3 LYS 81 2HZ LYS 81 -6.668 -4.123 -2.790 650 H SER 82 H SER 82 -3.106 -4.773 3.884 651 HA SER 82 HA SER 82 -2.051 -2.327 2.995 652 HB2 SER 82 2HB SER 82 -1.502 -3.771 5.595 653 HB3 SER 82 1HB SER 82 -1.223 -2.059 5.288 654 HG SER 82 HG SER 82 -3.803 -3.172 4.910 655 H THR 83 H THR 83 -0.433 -5.376 3.875 656 HA THR 83 HA THR 83 2.169 -4.424 3.545 657 HB THR 83 HB THR 83 1.164 -7.245 3.176 658 HG1 THR 83 1HG THR 83 1.174 -7.429 5.327 659 HG21 THR 83 3HG2 THR 83 3.446 -7.823 3.981 660 HG22 THR 83 1HG2 THR 83 3.852 -6.112 3.983 661 HG23 THR 83 2HG2 THR 83 3.481 -6.925 2.460 662 H GLY 84 H GLY 84 -0.038 -6.077 1.263 663 HA2 GLY 84 2HA GLY 84 1.827 -6.254 -0.869 664 HA3 GLY 84 1HA GLY 84 0.078 -6.391 -1.017 665 H PHE 85 H PHE 85 -0.621 -3.902 0.004 666 HA PHE 85 HA PHE 85 -0.346 -2.279 -2.281 667 HB2 PHE 85 2HB PHE 85 -2.324 -2.319 -0.761 668 HB3 PHE 85 1HB PHE 85 -1.354 -1.535 0.472 669 HD1 PHE 85 1HD PHE 85 -2.557 -1.094 -3.016 670 HD2 PHE 85 2HD PHE 85 -1.327 0.767 0.601 671 HE1 PHE 85 1HE PHE 85 -3.230 1.095 -3.916 672 HE2 PHE 85 2HE PHE 85 -1.984 2.939 -0.280 673 HZ PHE 85 HZ PHE 85 -2.945 3.115 -2.556 674 H ALA 86 H ALA 86 1.310 -2.383 0.829 675 HA ALA 86 HA ALA 86 2.670 0.072 0.669 676 HB1 ALA 86 1HB ALA 86 4.170 -0.756 2.338 677 HB2 ALA 86 2HB ALA 86 3.805 -2.427 1.920 678 HB3 ALA 86 3HB ALA 86 2.580 -1.438 2.706 679 H ARG 87 H ARG 87 3.493 -3.107 -0.502 680 HA ARG 87 HA ARG 87 6.061 -2.469 -1.474 681 HB2 ARG 87 2HB ARG 87 5.030 -4.770 -1.013 682 HB3 ARG 87 1HB ARG 87 4.205 -4.610 -2.544 683 HG2 ARG 87 2HG ARG 87 7.208 -4.603 -2.228 684 HG3 ARG 87 1HG ARG 87 6.259 -6.041 -2.553 685 HD2 ARG 87 2HD ARG 87 5.514 -5.044 -4.674 686 HD3 ARG 87 1HD ARG 87 6.480 -3.610 -4.332 687 HE ARG 87 HE ARG 87 7.913 -6.092 -4.264 688 HH11 ARG 87 1HH1 ARG 87 6.892 -3.435 -6.376 689 HH12 ARG 87 2HH1 ARG 87 8.169 -3.642 -7.492 690 HH21 ARG 87 1HH2 ARG 87 9.662 -6.372 -5.809 691 HH22 ARG 87 2HH2 ARG 87 9.777 -5.329 -7.148 692 H ASP 88 H ASP 88 2.842 -2.343 -2.918 693 HA ASP 88 HA ASP 88 3.774 -1.608 -5.513 694 HB2 ASP 88 2HB ASP 88 1.015 -1.394 -4.293 695 HB3 ASP 88 1HB ASP 88 1.375 -0.856 -5.924 696 H LEU 89 H LEU 89 2.606 0.200 -2.748 697 HA LEU 89 HA LEU 89 2.655 2.735 -3.994 698 HB2 LEU 89 2HB LEU 89 1.418 2.087 -1.870 699 HB3 LEU 89 1HB LEU 89 2.947 2.116 -1.037 700 HG LEU 89 HG LEU 89 1.504 4.108 -0.625 701 HD11 LEU 89 1HD1 LEU 89 3.877 4.316 -0.258 702 HD12 LEU 89 2HD1 LEU 89 3.213 5.821 -0.895 703 HD13 LEU 89 3HD1 LEU 89 4.119 4.740 -1.953 704 HD21 LEU 89 3HD2 LEU 89 2.058 4.750 -3.516 705 HD22 LEU 89 1HD2 LEU 89 1.275 5.815 -2.352 706 HD23 LEU 89 2HD2 LEU 89 0.495 4.307 -2.831 707 H ALA 90 H ALA 90 5.057 0.895 -2.168 708 HA ALA 90 HA ALA 90 7.093 2.806 -2.032 709 HB1 ALA 90 1HB ALA 90 8.618 0.905 -1.810 710 HB2 ALA 90 2HB ALA 90 7.350 -0.186 -2.368 711 HB3 ALA 90 3HB ALA 90 7.171 0.662 -0.832 712 H ASP 91 H ASP 91 6.165 0.562 -4.481 713 HA ASP 91 HA ASP 91 8.294 1.061 -6.280 714 HB2 ASP 91 2HB ASP 91 6.940 -0.971 -6.433 715 HB3 ASP 91 1HB ASP 91 5.520 -0.015 -6.824 716 H TYR 92 H TYR 92 5.101 2.457 -5.863 717 HA TYR 92 HA TYR 92 5.081 4.184 -8.079 718 HB2 TYR 92 2HB TYR 92 3.656 4.145 -5.479 719 HB3 TYR 92 1HB TYR 92 3.685 5.670 -6.349 720 HD1 TYR 92 1HD TYR 92 2.477 2.195 -6.417 721 HD2 TYR 92 2HD TYR 92 2.455 5.973 -8.351 722 HE1 TYR 92 1HE TYR 92 0.545 1.486 -7.768 723 HE2 TYR 92 2HE TYR 92 0.558 5.313 -9.697 724 HH TYR 92 HH TYR 92 -1.252 2.422 -8.991 725 H ILE 93 H ILE 93 6.256 4.797 -4.774 726 HA ILE 93 HA ILE 93 7.020 7.440 -5.497 727 HB ILE 93 HB ILE 93 8.252 7.571 -3.340 728 HG12 ILE 93 2HG1 ILE 93 7.277 4.726 -2.935 729 HG13 ILE 93 1HG1 ILE 93 8.942 5.185 -3.213 730 HG21 ILE 93 1HG2 ILE 93 6.265 7.407 -1.906 731 HG22 ILE 93 2HG2 ILE 93 5.445 6.489 -3.170 732 HG23 ILE 93 3HG2 ILE 93 5.900 8.165 -3.458 733 HD11 ILE 93 3HD1 ILE 93 7.270 5.982 -0.836 734 HD12 ILE 93 1HD1 ILE 93 8.940 6.476 -1.127 735 HD13 ILE 93 2HD1 ILE 93 8.561 4.778 -0.862 736 H GLN 94 H GLN 94 8.687 4.398 -5.572 737 HA GLN 94 HA GLN 94 11.283 5.385 -6.138 738 HB2 GLN 94 2HB GLN 94 9.910 2.825 -6.920 739 HB3 GLN 94 1HB GLN 94 11.585 3.166 -7.305 740 HG2 GLN 94 2HG GLN 94 12.118 3.275 -4.929 741 HG3 GLN 94 1HG GLN 94 10.416 3.027 -4.526 742 HE21 GLN 94 1HE2 GLN 94 10.825 1.149 -3.397 743 HE22 GLN 94 2HE2 GLN 94 11.263 -0.324 -4.157 744 H GLU 95 H GLU 95 8.481 4.550 -8.210 745 HA GLU 95 HA GLU 95 9.479 4.829 -10.650 746 HB2 GLU 95 2HB GLU 95 7.272 3.978 -9.782 747 HB3 GLU 95 1HB GLU 95 6.806 5.647 -9.575 748 HG2 GLU 95 2HG GLU 95 7.040 6.033 -11.890 749 HG3 GLU 95 1HG GLU 95 7.594 4.346 -12.065 750 H GLN 96 H GLN 96 8.339 7.236 -8.347 751 HA GLN 96 HA GLN 96 8.519 9.472 -10.203 752 HB2 GLN 96 2HB GLN 96 8.126 9.587 -7.232 753 HB3 GLN 96 1HB GLN 96 7.690 10.805 -8.410 754 HG2 GLN 96 2HG GLN 96 6.418 8.104 -8.041 755 HG3 GLN 96 1HG GLN 96 5.733 9.663 -7.599 756 HE21 GLN 96 1HE2 GLN 96 4.847 7.496 -9.360 757 HE22 GLN 96 2HE2 GLN 96 4.537 8.213 -10.881 758 H GLY 97 H GLY 97 10.678 7.791 -8.289 759 HA2 GLY 97 2HA GLY 97 12.927 8.125 -7.952 760 HA3 GLY 97 1HA GLY 97 12.782 9.663 -8.785 761 H TRP 98 H TRP 98 10.833 8.850 -6.010 762 HA TRP 98 HA TRP 98 12.153 11.041 -4.598 763 HB2 TRP 98 2HB TRP 98 9.575 9.599 -3.958 764 HB3 TRP 98 1HB TRP 98 10.233 10.964 -3.066 765 HD1 TRP 98 HD TRP 98 11.015 12.749 -5.662 766 HE1 TRP 98 1HE TRP 98 9.114 13.896 -6.959 767 HE3 TRP 98 3HE TRP 98 7.098 9.842 -4.137 768 HZ2 TRP 98 2HZ TRP 98 6.344 13.638 -7.285 769 HZ3 TRP 98 3HZ TRP 98 4.849 10.375 -4.991 770 HH2 TRP 98 HH TRP 98 4.481 12.224 -6.520 771 H GLN 99 H GLN 99 12.644 10.801 -2.315 772 HA GLN 99 HA GLN 99 13.466 8.046 -1.649 773 HB2 GLN 99 2HB GLN 99 15.389 9.006 -0.463 774 HB3 GLN 99 1HB GLN 99 15.413 9.424 -2.170 775 HG2 GLN 99 2HG GLN 99 14.553 11.653 -1.634 776 HG3 GLN 99 1HG GLN 99 14.519 11.226 0.072 777 HE21 GLN 99 1HE2 GLN 99 16.033 13.314 -1.421 778 HE22 GLN 99 2HE2 GLN 99 17.667 13.027 -0.966 779 H THR 100 H THR 100 13.819 7.813 0.796 780 HA THR 100 HA THR 100 12.450 9.657 2.454 781 HB THR 100 HB THR 100 10.556 8.329 1.428 782 HG1 THR 100 1HG THR 100 9.800 9.004 3.192 783 HG21 THR 100 3HG2 THR 100 11.761 6.037 3.007 784 HG22 THR 100 1HG2 THR 100 11.661 6.136 1.249 785 HG23 THR 100 2HG2 THR 100 10.188 6.011 2.212 786 H TYR 101 H TYR 101 12.270 8.468 4.727 787 HA TYR 101 HA TYR 101 14.803 7.033 5.137 788 HB2 TYR 101 2HB TYR 101 13.479 9.058 6.971 789 HB3 TYR 101 1HB TYR 101 14.850 8.061 7.434 790 HD1 TYR 101 2HD TYR 101 17.015 8.337 6.112 791 HD2 TYR 101 1HD TYR 101 13.806 11.116 5.878 792 HE1 TYR 101 2HE TYR 101 18.557 10.030 5.216 793 HE2 TYR 101 1HE TYR 101 15.341 12.818 4.981 794 HH TYR 101 HH TYR 101 17.750 13.293 5.027 795 H GLY 102 H GLY 102 14.499 5.062 5.901 796 HA2 GLY 102 2HA GLY 102 13.450 3.618 7.547 797 HA3 GLY 102 1HA GLY 102 11.981 4.569 7.320 798 H ASP 103 H ASP 103 10.757 2.777 6.808 799 HA ASP 103 HA ASP 103 11.200 1.836 4.073 800 HB2 ASP 103 2HB ASP 103 11.830 0.058 5.737 801 HB3 ASP 103 1HB ASP 103 10.181 0.108 6.350 802 H VAL 104 H VAL 104 9.215 1.320 2.973 803 HA VAL 104 HA VAL 104 7.189 3.220 3.595 804 HB VAL 104 HB VAL 104 7.193 1.077 1.459 805 HG11 VAL 104 1HG1 VAL 104 5.540 2.493 0.322 806 HG12 VAL 104 2HG1 VAL 104 5.544 3.600 1.695 807 HG13 VAL 104 3HG1 VAL 104 4.951 1.951 1.894 808 HG21 VAL 104 3HG2 VAL 104 8.048 3.965 1.325 809 HG22 VAL 104 1HG2 VAL 104 7.962 2.849 -0.038 810 HG23 VAL 104 2HG2 VAL 104 9.114 2.561 1.267 811 H VAL 105 H VAL 105 5.552 2.945 4.877 812 HA VAL 105 HA VAL 105 4.386 0.310 5.165 813 HB VAL 105 HB VAL 105 5.762 0.614 7.167 814 HG11 VAL 105 1HG1 VAL 105 5.413 2.427 8.757 815 HG12 VAL 105 2HG1 VAL 105 4.287 3.187 7.632 816 HG13 VAL 105 3HG1 VAL 105 5.986 3.015 7.195 817 HG21 VAL 105 3HG2 VAL 105 3.645 -0.524 7.496 818 HG22 VAL 105 1HG2 VAL 105 2.838 1.019 7.784 819 HG23 VAL 105 2HG2 VAL 105 4.050 0.433 8.922 820 H VAL 106 H VAL 106 2.234 0.303 5.046 821 HA VAL 106 HA VAL 106 0.808 2.805 5.275 822 HB VAL 106 HB VAL 106 1.290 2.552 2.858 823 HG11 VAL 106 1HG1 VAL 106 -0.090 -0.097 3.069 824 HG12 VAL 106 2HG1 VAL 106 1.632 0.198 2.807 825 HG13 VAL 106 3HG1 VAL 106 0.466 0.680 1.579 826 HG21 VAL 106 3HG2 VAL 106 -1.554 1.860 3.461 827 HG22 VAL 106 1HG2 VAL 106 -0.950 2.562 1.963 828 HG23 VAL 106 2HG2 VAL 106 -0.864 3.485 3.473 829 H ARG 107 H ARG 107 -1.258 2.491 6.063 830 HA ARG 107 HA ARG 107 -2.150 -0.256 6.412 831 HB2 ARG 107 2HB ARG 107 -2.470 -0.093 8.766 832 HB3 ARG 107 1HB ARG 107 -0.795 0.332 8.439 833 HG2 ARG 107 2HG ARG 107 -1.335 2.698 8.706 834 HG3 ARG 107 1HG ARG 107 -3.031 2.286 8.978 835 HD2 ARG 107 2HD ARG 107 -2.294 0.901 10.905 836 HD3 ARG 107 1HD ARG 107 -0.668 1.552 10.686 837 HE ARG 107 HE ARG 107 -2.865 3.444 11.080 838 HH11 ARG 107 1HH1 ARG 107 0.032 1.921 12.418 839 HH12 ARG 107 2HH1 ARG 107 0.018 2.877 13.836 840 HH21 ARG 107 1HH2 ARG 107 -2.891 4.651 12.895 841 HH22 ARG 107 2HH2 ARG 107 -1.695 4.501 14.139 842 H PHE 108 H PHE 108 -4.326 -0.406 6.929 843 HA PHE 108 HA PHE 108 -5.885 2.011 6.404 844 HB2 PHE 108 2HB PHE 108 -6.691 -0.912 6.267 845 HB3 PHE 108 1HB PHE 108 -7.751 0.449 5.936 846 HD1 PHE 108 2HD PHE 108 -7.308 1.890 3.949 847 HD2 PHE 108 1HD PHE 108 -5.215 -1.752 4.616 848 HE1 PHE 108 2HE PHE 108 -6.617 1.859 1.587 849 HE2 PHE 108 1HE PHE 108 -4.520 -1.792 2.257 850 HZ PHE 108 HZ PHE 108 -5.219 0.016 0.739 851 H GLU 109 H GLU 109 -6.993 2.858 8.045 852 HA GLU 109 HA GLU 109 -7.554 1.168 10.349 853 HB2 GLU 109 2HB GLU 109 -7.031 3.088 11.860 854 HB3 GLU 109 1HB GLU 109 -5.626 2.411 11.051 855 HG2 GLU 109 2HG GLU 109 -5.591 4.285 9.533 856 HG3 GLU 109 1HG GLU 109 -7.075 4.916 10.248 857 H GLN 110 H GLN 110 -9.160 2.319 11.859 858 HA GLN 110 HA GLN 110 -11.160 3.557 10.108 859 HB2 GLN 110 2HB GLN 110 -12.907 2.492 11.402 860 HB3 GLN 110 1HB GLN 110 -11.805 1.269 10.789 861 HG2 GLN 110 2HG GLN 110 -10.741 1.116 12.969 862 HG3 GLN 110 1HG GLN 110 -11.794 2.380 13.587 863 HE21 GLN 110 1HE2 GLN 110 -12.698 1.122 15.137 864 HE22 GLN 110 2HE2 GLN 110 -13.771 -0.177 14.812 865 H SER 111 H SER 111 -12.606 5.010 11.132 866 HA SER 111 HA SER 111 -11.883 5.998 13.756 867 HB2 SER 111 2HB SER 111 -10.597 7.375 12.141 868 HB3 SER 111 1HB SER 111 -12.084 7.734 11.271 869 HG SER 111 HG SER 111 -11.505 8.430 13.969 870 H SER 112 H SER 112 -13.673 6.690 14.835 871 HA SER 112 HA SER 112 -16.236 6.155 13.683 872 HB2 SER 112 2HB SER 112 -15.706 5.584 16.042 873 HB3 SER 112 1HB SER 112 -15.487 7.297 16.398 874 HG SER 112 HG SER 112 -17.730 7.479 15.561 875 H ASN 113 H ASN 113 -14.113 8.805 13.735 876 HA ASN 113 HA ASN 113 -16.057 10.883 13.786 877 HB2 ASN 113 2HB ASN 113 -13.145 10.812 13.018 878 HB3 ASN 113 1HB ASN 113 -14.122 12.268 13.014 879 HD21 ASN 113 1HD2 ASN 113 -14.757 13.156 14.997 880 HD22 ASN 113 2HD2 ASN 113 -14.044 12.657 16.488 881 H LEU 114 H LEU 114 -14.631 8.809 11.443 882 HA LEU 114 HA LEU 114 -15.502 10.476 9.243 883 HB2 LEU 114 2HB LEU 114 -14.082 7.828 9.310 884 HB3 LEU 114 1HB LEU 114 -14.577 8.629 7.833 885 HG LEU 114 HG LEU 114 -12.564 9.662 9.827 886 HD11 LEU 114 1HD1 LEU 114 -10.973 9.282 8.033 887 HD12 LEU 114 2HD1 LEU 114 -12.266 8.644 7.017 888 HD13 LEU 114 3HD1 LEU 114 -11.790 7.783 8.478 889 HD21 LEU 114 3HD2 LEU 114 -13.553 10.825 7.227 890 HD22 LEU 114 1HD2 LEU 114 -12.152 11.402 8.134 891 HD23 LEU 114 2HD2 LEU 114 -13.764 11.507 8.839 892 H HIS 115 H HIS 115 -17.203 10.090 8.013 893 HA HIS 115 HA HIS 115 -18.951 8.003 9.001 894 HB2 HIS 115 2HB HIS 115 -19.872 10.327 9.015 895 HB3 HIS 115 1HB HIS 115 -19.592 10.394 7.275 896 HD1 HIS 115 1HD HIS 115 -21.600 8.118 9.638 897 HD2 HIS 115 2HD HIS 115 -21.763 9.850 5.859 898 HE1 HIS 115 1HE HIS 115 -23.771 7.373 8.600 899 H THR 116 H THR 116 -20.164 6.833 7.431 900 HA THR 116 HA THR 116 -18.598 5.434 5.678 901 HB THR 116 HB THR 116 -21.602 5.684 5.762 902 HG1 THR 116 1HG THR 116 -19.621 4.270 7.119 903 HG21 THR 116 3HG2 THR 116 -21.569 3.399 4.847 904 HG22 THR 116 1HG2 THR 116 -19.809 3.455 4.752 905 HG23 THR 116 2HG2 THR 116 -20.781 4.520 3.731 906 H GLY 117 H GLY 117 -17.982 5.695 3.712 907 HA2 GLY 117 2HA GLY 117 -18.370 6.314 1.426 908 HA3 GLY 117 1HA GLY 117 -19.363 7.646 2.003 909 H GLN 118 H GLN 118 -17.255 8.145 4.144 910 HA GLN 118 HA GLN 118 -15.538 9.751 2.423 911 HB2 GLN 118 2HB GLN 118 -16.983 10.982 4.037 912 HB3 GLN 118 1HB GLN 118 -16.281 10.049 5.330 913 HG2 GLN 118 2HG GLN 118 -14.167 11.070 5.080 914 HG3 GLN 118 1HG GLN 118 -14.655 11.815 3.555 915 HE21 GLN 118 1HE2 GLN 118 -13.694 13.042 6.104 916 HE22 GLN 118 2HE2 GLN 118 -14.948 14.132 6.555 917 H PHE 119 H PHE 119 -13.350 9.605 2.614 918 HA PHE 119 HA PHE 119 -12.203 7.942 4.676 919 HB2 PHE 119 2HB PHE 119 -10.972 6.552 3.088 920 HB3 PHE 119 1HB PHE 119 -12.671 6.498 2.697 921 HD1 PHE 119 2HD PHE 119 -13.582 7.617 0.723 922 HD2 PHE 119 1HD PHE 119 -9.401 7.501 1.511 923 HE1 PHE 119 2HE PHE 119 -13.131 8.235 -1.610 924 HE2 PHE 119 1HE PHE 119 -8.941 8.114 -0.817 925 HZ PHE 119 HZ PHE 119 -10.807 8.485 -2.385 926 H ARG 120 H ARG 120 -9.883 8.366 4.819 927 HA ARG 120 HA ARG 120 -9.035 10.728 3.356 928 HB2 ARG 120 2HB ARG 120 -9.921 10.898 5.986 929 HB3 ARG 120 1HB ARG 120 -8.172 10.706 6.118 930 HG2 ARG 120 2HG ARG 120 -9.523 12.824 4.478 931 HG3 ARG 120 1HG ARG 120 -8.926 13.066 6.117 932 HD2 ARG 120 2HD ARG 120 -6.646 12.574 5.362 933 HD3 ARG 120 1HD ARG 120 -7.243 12.271 3.731 934 HE ARG 120 HE ARG 120 -7.990 14.839 4.651 935 HH11 ARG 120 1HH1 ARG 120 -5.168 13.105 3.301 936 HH12 ARG 120 2HH1 ARG 120 -4.469 14.470 2.639 937 HH21 ARG 120 1HH2 ARG 120 -7.019 16.702 3.790 938 HH22 ARG 120 2HH2 ARG 120 -5.531 16.632 2.947 939 H ALA 121 H ALA 121 -6.983 10.569 2.791 940 HA ALA 121 HA ALA 121 -5.357 8.407 3.930 941 HB1 ALA 121 1HB ALA 121 -5.225 9.693 1.191 942 HB2 ALA 121 2HB ALA 121 -5.831 8.072 1.542 943 HB3 ALA 121 3HB ALA 121 -4.126 8.450 1.784 944 H ARG 122 H ARG 122 -3.385 9.016 4.723 945 HA ARG 122 HA ARG 122 -2.551 11.789 4.332 946 HB2 ARG 122 2HB ARG 122 -3.830 11.762 6.392 947 HB3 ARG 122 1HB ARG 122 -2.901 10.396 6.983 948 HG2 ARG 122 2HG ARG 122 -2.208 12.431 8.094 949 HG3 ARG 122 1HG ARG 122 -0.910 11.807 7.085 950 HD2 ARG 122 2HD ARG 122 -1.330 13.479 5.413 951 HD3 ARG 122 1HD ARG 122 -2.783 14.023 6.254 952 HE ARG 122 HE ARG 122 -0.971 14.398 8.139 953 HH11 ARG 122 1HH1 ARG 122 -0.738 15.287 4.705 954 HH12 ARG 122 2HH1 ARG 122 0.215 16.660 5.014 955 HH21 ARG 122 1HH2 ARG 122 0.336 16.250 8.508 956 HH22 ARG 122 2HH2 ARG 122 0.877 17.203 7.181 957 H GLY 123 H GLY 123 -0.611 11.744 3.628 958 HA2 GLY 123 2HA GLY 123 1.164 9.481 4.160 959 HA3 GLY 123 1HA GLY 123 1.467 10.790 3.020 960 H THR 124 H THR 124 2.718 9.545 5.683 961 HA THR 124 HA THR 124 3.464 12.181 6.684 962 HB THR 124 HB THR 124 3.665 11.118 8.970 963 HG1 THR 124 1HG THR 124 2.588 8.975 7.520 964 HG21 THR 124 3HG2 THR 124 1.800 12.607 8.404 965 HG22 THR 124 1HG2 THR 124 1.259 11.304 9.469 966 HG23 THR 124 2HG2 THR 124 0.916 11.232 7.740 967 H VAL 125 H VAL 125 5.532 12.452 7.318 968 HA VAL 125 HA VAL 125 7.441 10.440 6.439 969 HB VAL 125 HB VAL 125 7.880 13.328 7.267 970 HG11 VAL 125 1HG1 VAL 125 9.859 11.960 7.610 971 HG12 VAL 125 2HG1 VAL 125 10.105 13.072 6.266 972 HG13 VAL 125 3HG1 VAL 125 9.759 11.371 5.950 973 HG21 VAL 125 3HG2 VAL 125 7.875 12.161 4.489 974 HG22 VAL 125 1HG2 VAL 125 8.160 13.840 4.916 975 HG23 VAL 125 2HG2 VAL 125 6.562 13.125 5.169 976 H ASN 126 H ASN 126 7.859 9.056 8.068 977 HA ASN 126 HA ASN 126 8.398 10.236 10.679 978 HB2 ASN 126 2HB ASN 126 6.582 8.626 10.856 979 HB3 ASN 126 1HB ASN 126 7.550 7.403 10.034 980 HD21 ASN 126 1HD2 ASN 126 7.561 5.977 11.706 981 HD22 ASN 126 2HD2 ASN 126 8.410 6.220 13.181 982 HA PRO 127 HA PRO 127 12.433 8.754 9.215 983 HB2 PRO 127 2HB PRO 127 13.945 10.631 10.406 984 HB3 PRO 127 1HB PRO 127 13.042 10.969 8.926 985 HG2 PRO 127 2HG PRO 127 12.419 11.727 11.740 986 HG3 PRO 127 1HG PRO 127 12.149 12.639 10.248 987 HD2 PRO 127 2HD PRO 127 10.220 11.173 11.621 988 HD3 PRO 127 1HD PRO 127 10.096 11.694 9.932 989 H ASP 128 H ASP 128 11.004 8.905 12.250 990 HA ASP 128 HA ASP 128 13.335 7.749 13.589 991 HB2 ASP 128 2HB ASP 128 12.202 9.696 14.717 992 HB3 ASP 128 1HB ASP 128 10.772 8.682 14.881 993 H VAL 129 H VAL 129 13.054 6.083 12.352 994 HA VAL 129 HA VAL 129 11.259 4.135 13.516 995 HB VAL 129 HB VAL 129 10.407 4.557 11.278 996 HG11 VAL 129 1HG1 VAL 129 11.785 4.307 9.276 997 HG12 VAL 129 2HG1 VAL 129 13.210 4.089 10.289 998 HG13 VAL 129 3HG1 VAL 129 12.344 5.629 10.302 999 HG21 VAL 129 3HG2 VAL 129 10.428 2.197 11.941 1000 HG22 VAL 129 1HG2 VAL 129 12.047 2.020 11.271 1001 HG23 VAL 129 2HG2 VAL 129 10.686 2.348 10.202 1002 H GLU 130 H GLU 130 12.251 2.330 14.057 1003 HA GLU 130 HA GLU 130 14.951 2.114 14.560 1004 HB2 GLU 130 2HB GLU 130 14.589 -0.367 14.735 1005 HB3 GLU 130 1HB GLU 130 13.440 0.601 15.648 1006 HG2 GLU 130 2HG GLU 130 11.833 0.367 13.882 1007 HG3 GLU 130 1HG GLU 130 12.950 -0.609 12.953 1008 H THR 131 H THR 131 16.328 2.546 13.101 1009 HA THR 131 HA THR 131 16.140 1.910 10.382 1010 HB THR 131 HB THR 131 18.599 2.784 11.887 1011 HG1 THR 131 1HG THR 131 16.137 4.040 11.415 1012 HG21 THR 131 3HG2 THR 131 17.520 3.362 9.133 1013 HG22 THR 131 1HG2 THR 131 18.830 2.236 9.496 1014 HG23 THR 131 2HG2 THR 131 19.044 3.970 9.797 1015 H HIS 132 H HIS 132 16.506 -0.008 9.546 1016 HA HIS 132 HA HIS 132 18.670 -1.599 10.569 1017 HB2 HIS 132 2HB HIS 132 17.286 -3.691 10.370 1018 HB3 HIS 132 1HB HIS 132 16.734 -2.618 11.637 1019 HD1 HIS 132 1HD HIS 132 14.445 -1.181 10.959 1020 HD2 HIS 132 2HD HIS 132 15.408 -4.496 8.632 1021 HE1 HIS 132 1HE HIS 132 12.338 -1.821 9.736 Start of MODEL 6 1 H1 MET 1 1HT MET 1 15.896 20.260 8.871 2 H2 MET 1 2HT MET 1 16.465 19.594 7.448 3 H3 MET 1 3HT MET 1 16.623 21.249 7.711 4 HA MET 1 HA MET 1 18.712 20.103 8.011 5 HB2 MET 1 2HB MET 1 18.173 22.095 9.426 6 HB3 MET 1 1HB MET 1 17.525 21.012 10.649 7 HG2 MET 1 2HG MET 1 19.747 20.004 10.905 8 HG3 MET 1 1HG MET 1 20.386 21.128 9.709 9 HE1 MET 1 2HE MET 1 21.933 22.526 13.006 10 HE2 MET 1 3HE MET 1 22.256 21.988 11.358 11 HE3 MET 1 1HE MET 1 21.689 20.839 12.570 12 H GLY 2 H GLY 2 19.721 18.259 8.598 13 HA2 GLY 2 2HA GLY 2 19.928 16.316 9.956 14 HA3 GLY 2 1HA GLY 2 18.187 16.377 10.252 15 H SER 3 H SER 3 19.393 17.086 7.136 16 HA SER 3 HA SER 3 17.990 14.895 5.973 17 HB2 SER 3 2HB SER 3 19.776 16.971 4.707 18 HB3 SER 3 1HB SER 3 18.517 16.018 3.924 19 HG SER 3 HG SER 3 17.084 17.111 5.590 20 H GLN 4 H GLN 4 19.121 13.435 4.484 21 HA GLN 4 HA GLN 4 21.988 13.125 4.880 22 HB2 GLN 4 2HB GLN 4 20.868 11.703 6.575 23 HB3 GLN 4 1HB GLN 4 19.895 10.974 5.312 24 HG2 GLN 4 2HG GLN 4 22.003 10.120 4.285 25 HG3 GLN 4 1HG GLN 4 22.865 10.713 5.703 26 HE21 GLN 4 1HE2 GLN 4 22.509 9.718 7.689 27 HE22 GLN 4 2HE2 GLN 4 21.773 8.163 7.812 28 H LYS 5 H LYS 5 22.894 12.299 2.902 29 HA LYS 5 HA LYS 5 20.989 12.129 0.819 30 HB2 LYS 5 2HB LYS 5 22.930 11.733 -0.691 31 HB3 LYS 5 1HB LYS 5 22.977 13.238 0.199 32 HG2 LYS 5 2HG LYS 5 24.581 12.191 1.773 33 HG3 LYS 5 1HG LYS 5 24.602 10.760 0.725 34 HD2 LYS 5 2HD LYS 5 25.275 12.181 -1.154 35 HD3 LYS 5 1HD LYS 5 25.245 13.559 -0.048 36 HE2 LYS 5 2HE LYS 5 27.050 12.593 1.257 37 HE3 LYS 5 1HE LYS 5 27.055 11.160 0.226 38 HZ1 LYS 5 3HZ LYS 5 27.699 12.537 -1.637 39 HZ2 LYS 5 1HZ LYS 5 28.809 12.747 -0.383 40 HZ3 LYS 5 2HZ LYS 5 27.630 13.919 -0.711 41 H ARG 6 H ARG 6 19.834 10.609 1.603 42 HA ARG 6 HA ARG 6 20.653 7.845 1.713 43 HB2 ARG 6 2HB ARG 6 18.911 8.805 3.200 44 HB3 ARG 6 1HB ARG 6 17.950 9.213 1.793 45 HG2 ARG 6 2HG ARG 6 16.985 7.275 2.721 46 HG3 ARG 6 1HG ARG 6 17.863 6.750 1.284 47 HD2 ARG 6 2HD ARG 6 18.267 5.189 3.078 48 HD3 ARG 6 1HD ARG 6 19.744 6.089 2.735 49 HE ARG 6 HE ARG 6 19.258 7.460 4.682 50 HH11 ARG 6 1HH1 ARG 6 17.866 4.193 4.530 51 HH12 ARG 6 2HH1 ARG 6 17.541 4.146 6.202 52 HH21 ARG 6 1HH2 ARG 6 18.793 7.363 6.943 53 HH22 ARG 6 2HH2 ARG 6 18.078 5.960 7.590 54 H LEU 7 H LEU 7 20.159 6.356 0.034 55 HA LEU 7 HA LEU 7 18.394 7.269 -1.981 56 HB2 LEU 7 2HB LEU 7 19.808 6.434 -3.889 57 HB3 LEU 7 1HB LEU 7 20.416 7.866 -3.130 58 HG LEU 7 HG LEU 7 22.244 6.551 -3.811 59 HD11 LEU 7 1HD1 LEU 7 23.506 6.065 -1.800 60 HD12 LEU 7 2HD1 LEU 7 22.030 6.290 -0.858 61 HD13 LEU 7 3HD1 LEU 7 22.699 7.634 -1.786 62 HD21 LEU 7 3HD2 LEU 7 21.236 4.381 -4.075 63 HD22 LEU 7 1HD2 LEU 7 21.088 4.204 -2.327 64 HD23 LEU 7 2HD2 LEU 7 22.683 4.244 -3.074 65 H VAL 8 H VAL 8 16.892 5.926 -2.287 66 HA VAL 8 HA VAL 8 17.498 3.169 -1.559 67 HB VAL 8 HB VAL 8 15.255 2.815 -0.692 68 HG11 VAL 8 1HG1 VAL 8 16.919 3.513 0.894 69 HG12 VAL 8 2HG1 VAL 8 15.346 4.179 1.337 70 HG13 VAL 8 3HG1 VAL 8 16.558 5.207 0.571 71 HG21 VAL 8 3HG2 VAL 8 13.729 4.772 -0.307 72 HG22 VAL 8 1HG2 VAL 8 13.952 4.334 -2.010 73 HG23 VAL 8 2HG2 VAL 8 14.819 5.703 -1.344 74 H GLN 9 H GLN 9 16.596 1.571 -2.669 75 HA GLN 9 HA GLN 9 15.149 2.250 -5.118 76 HB2 GLN 9 2HB GLN 9 16.369 0.399 -6.206 77 HB3 GLN 9 1HB GLN 9 17.448 1.694 -5.709 78 HG2 GLN 9 2HG GLN 9 18.073 0.366 -3.731 79 HG3 GLN 9 1HG GLN 9 17.045 -0.946 -4.315 80 HE21 GLN 9 1HE2 GLN 9 19.963 0.847 -4.794 81 HE22 GLN 9 2HE2 GLN 9 20.674 -0.233 -5.927 82 H ARG 10 H ARG 10 14.220 -0.013 -5.945 83 HA ARG 10 HA ARG 10 13.406 -1.565 -3.624 84 HB2 ARG 10 2HB ARG 10 11.656 0.240 -4.506 85 HB3 ARG 10 1HB ARG 10 11.377 -0.951 -5.767 86 HG2 ARG 10 2HG ARG 10 11.154 -1.576 -2.827 87 HG3 ARG 10 1HG ARG 10 9.803 -1.006 -3.794 88 HD2 ARG 10 2HD ARG 10 11.380 -3.476 -4.483 89 HD3 ARG 10 1HD ARG 10 9.972 -3.502 -3.418 90 HE ARG 10 HE ARG 10 9.741 -2.404 -6.143 91 HH11 ARG 10 1HH1 ARG 10 8.906 -5.015 -3.903 92 HH12 ARG 10 2HH1 ARG 10 7.473 -5.448 -4.724 93 HH21 ARG 10 1HH2 ARG 10 7.955 -2.976 -7.230 94 HH22 ARG 10 2HH2 ARG 10 6.894 -4.261 -6.737 95 H VAL 11 H VAL 11 14.625 -3.253 -4.151 96 HA VAL 11 HA VAL 11 15.072 -4.103 -6.810 97 HB VAL 11 HB VAL 11 16.102 -6.136 -5.845 98 HG11 VAL 11 1HG1 VAL 11 16.901 -3.580 -4.467 99 HG12 VAL 11 2HG1 VAL 11 17.449 -4.132 -6.048 100 HG13 VAL 11 3HG1 VAL 11 17.903 -5.024 -4.595 101 HG21 VAL 11 3HG2 VAL 11 14.592 -6.481 -3.957 102 HG22 VAL 11 1HG2 VAL 11 15.199 -5.018 -3.187 103 HG23 VAL 11 2HG2 VAL 11 16.266 -6.405 -3.407 104 H GLU 12 H GLU 12 14.408 -5.973 -7.859 105 HA GLU 12 HA GLU 12 12.829 -7.226 -8.815 106 HB2 GLU 12 2HB GLU 12 13.223 -8.574 -6.683 107 HB3 GLU 12 1HB GLU 12 11.824 -7.762 -6.005 108 HG2 GLU 12 2HG GLU 12 11.192 -9.942 -6.780 109 HG3 GLU 12 1HG GLU 12 10.434 -8.719 -7.800 110 H ARG 13 H ARG 13 11.958 -5.320 -9.727 111 HA ARG 13 HA ARG 13 9.906 -3.960 -8.293 112 HB2 ARG 13 2HB ARG 13 10.898 -3.436 -11.085 113 HB3 ARG 13 1HB ARG 13 9.714 -2.459 -10.231 114 HG2 ARG 13 2HG ARG 13 11.695 -2.466 -8.424 115 HG3 ARG 13 1HG ARG 13 12.631 -2.603 -9.912 116 HD2 ARG 13 2HD ARG 13 10.547 -0.515 -9.322 117 HD3 ARG 13 1HD ARG 13 12.281 -0.271 -9.232 118 HE ARG 13 HE ARG 13 12.267 -0.805 -11.678 119 HH11 ARG 13 1HH1 ARG 13 9.258 0.425 -10.161 120 HH12 ARG 13 2HH1 ARG 13 8.947 1.461 -11.477 121 HH21 ARG 13 1HH2 ARG 13 11.638 0.586 -13.491 122 HH22 ARG 13 2HH2 ARG 13 10.209 1.528 -13.337 123 H LYS 14 H LYS 14 8.680 -5.815 -8.100 124 HA LYS 14 HA LYS 14 6.870 -6.184 -10.364 125 HB2 LYS 14 2HB LYS 14 7.121 -7.769 -7.800 126 HB3 LYS 14 1HB LYS 14 5.915 -8.063 -9.044 127 HG2 LYS 14 2HG LYS 14 7.724 -8.570 -10.631 128 HG3 LYS 14 1HG LYS 14 8.899 -8.353 -9.332 129 HD2 LYS 14 2HD LYS 14 7.861 -10.164 -8.070 130 HD3 LYS 14 1HD LYS 14 6.635 -10.342 -9.327 131 HE2 LYS 14 2HE LYS 14 8.390 -10.918 -10.929 132 HE3 LYS 14 1HE LYS 14 9.598 -10.808 -9.648 133 HZ1 LYS 14 3HZ LYS 14 8.469 -12.626 -8.499 134 HZ2 LYS 14 1HZ LYS 14 8.898 -13.093 -10.062 135 HZ3 LYS 14 2HZ LYS 14 7.307 -12.699 -9.720 136 H LEU 15 H LEU 15 5.685 -4.365 -10.239 137 HA LEU 15 HA LEU 15 4.139 -4.114 -7.796 138 HB2 LEU 15 2HB LEU 15 3.685 -1.749 -8.297 139 HB3 LEU 15 1HB LEU 15 5.396 -2.039 -8.133 140 HG LEU 15 HG LEU 15 3.991 -1.700 -10.792 141 HD11 LEU 15 1HD1 LEU 15 3.783 0.328 -9.451 142 HD12 LEU 15 2HD1 LEU 15 4.894 0.569 -10.796 143 HD13 LEU 15 3HD1 LEU 15 5.524 0.326 -9.167 144 HD21 LEU 15 3HD2 LEU 15 6.105 -2.861 -11.030 145 HD22 LEU 15 1HD2 LEU 15 6.905 -1.660 -10.005 146 HD23 LEU 15 2HD2 LEU 15 6.279 -1.189 -11.576 147 H GLU 16 H GLU 16 2.583 -5.377 -8.153 148 HA GLU 16 HA GLU 16 1.394 -5.449 -10.759 149 HB2 GLU 16 2HB GLU 16 0.866 -7.122 -8.301 150 HB3 GLU 16 1HB GLU 16 0.146 -7.400 -9.888 151 HG2 GLU 16 2HG GLU 16 2.349 -7.745 -10.857 152 HG3 GLU 16 1HG GLU 16 3.100 -7.421 -9.305 153 H GLN 17 H GLN 17 -0.284 -4.465 -11.288 154 HA GLN 17 HA GLN 17 -1.221 -2.275 -9.950 155 HB2 GLN 17 2HB GLN 17 -3.049 -2.234 -11.655 156 HB3 GLN 17 1HB GLN 17 -1.419 -2.367 -12.298 157 HG2 GLN 17 2HG GLN 17 -1.762 -4.785 -12.592 158 HG3 GLN 17 1HG GLN 17 -3.406 -4.604 -11.995 159 HE21 GLN 17 1HE2 GLN 17 -2.382 -5.531 -14.553 160 HE22 GLN 17 2HE2 GLN 17 -3.109 -4.542 -15.757 161 H THR 18 H THR 18 -2.363 -2.027 -8.211 162 HA THR 18 HA THR 18 -4.078 -4.000 -7.165 163 HB THR 18 HB THR 18 -3.749 -1.077 -6.538 164 HG1 THR 18 1HG THR 18 -1.834 -1.855 -5.815 165 HG21 THR 18 3HG2 THR 18 -5.025 -3.295 -4.939 166 HG22 THR 18 1HG2 THR 18 -5.838 -1.911 -5.661 167 HG23 THR 18 2HG2 THR 18 -4.713 -1.671 -4.318 168 H VAL 19 H VAL 19 -6.094 -4.303 -7.686 169 HA VAL 19 HA VAL 19 -7.504 -2.290 -9.292 170 HB VAL 19 HB VAL 19 -6.913 -4.352 -10.571 171 HG11 VAL 19 1HG1 VAL 19 -6.953 -5.993 -8.816 172 HG12 VAL 19 2HG1 VAL 19 -8.030 -6.477 -10.125 173 HG13 VAL 19 3HG1 VAL 19 -8.695 -5.798 -8.637 174 HG21 VAL 19 3HG2 VAL 19 -8.864 -3.100 -11.280 175 HG22 VAL 19 1HG2 VAL 19 -9.880 -3.985 -10.141 176 HG23 VAL 19 2HG2 VAL 19 -9.147 -4.822 -11.512 177 H GLY 20 H GLY 20 -9.711 -1.946 -8.799 178 HA2 GLY 20 2HA GLY 20 -10.529 -3.075 -6.214 179 HA3 GLY 20 1HA GLY 20 -10.746 -1.382 -6.633 180 H ASP 21 H ASP 21 -11.268 -4.221 -8.624 181 HA ASP 21 HA ASP 21 -13.833 -3.292 -9.492 182 HB2 ASP 21 2HB ASP 21 -12.605 -4.617 -11.058 183 HB3 ASP 21 1HB ASP 21 -12.411 -5.921 -9.886 184 H ALA 22 H ALA 22 -12.719 -5.636 -7.266 185 HA ALA 22 HA ALA 22 -15.254 -6.688 -6.525 186 HB1 ALA 22 1HB ALA 22 -14.128 -7.556 -4.530 187 HB2 ALA 22 2HB ALA 22 -12.719 -6.558 -4.881 188 HB3 ALA 22 3HB ALA 22 -13.169 -7.867 -5.976 189 H PHE 23 H PHE 23 -13.255 -4.127 -5.411 190 HA PHE 23 HA PHE 23 -14.778 -3.265 -3.217 191 HB2 PHE 23 2HB PHE 23 -12.850 -1.906 -5.056 192 HB3 PHE 23 1HB PHE 23 -13.542 -1.062 -3.669 193 HD1 PHE 23 2HD PHE 23 -11.765 -4.301 -4.430 194 HD2 PHE 23 1HD PHE 23 -12.235 -1.013 -1.766 195 HE1 PHE 23 2HE PHE 23 -9.975 -5.197 -3.021 196 HE2 PHE 23 1HE PHE 23 -10.431 -1.911 -0.360 197 HZ PHE 23 HZ PHE 23 -9.300 -3.998 -0.985 198 H ALA 24 H ALA 24 -14.733 -2.313 -6.613 199 HA ALA 24 HA ALA 24 -16.622 -0.312 -6.625 200 HB1 ALA 24 1HB ALA 24 -16.182 -2.379 -8.777 201 HB2 ALA 24 2HB ALA 24 -15.220 -0.922 -8.555 202 HB3 ALA 24 3HB ALA 24 -16.925 -0.794 -8.989 203 H ARG 25 H ARG 25 -17.182 -3.805 -7.064 204 HA ARG 25 HA ARG 25 -19.992 -3.389 -7.221 205 HB2 ARG 25 2HB ARG 25 -20.191 -5.811 -7.344 206 HB3 ARG 25 1HB ARG 25 -18.995 -5.202 -8.471 207 HG2 ARG 25 2HG ARG 25 -17.220 -5.919 -6.940 208 HG3 ARG 25 1HG ARG 25 -18.444 -6.581 -5.850 209 HD2 ARG 25 2HD ARG 25 -17.974 -7.402 -8.707 210 HD3 ARG 25 1HD ARG 25 -17.494 -8.323 -7.284 211 HE ARG 25 HE ARG 25 -19.949 -8.364 -6.762 212 HH11 ARG 25 1HH1 ARG 25 -18.700 -8.380 -10.080 213 HH12 ARG 25 2HH1 ARG 25 -20.102 -9.027 -10.779 214 HH21 ARG 25 1HH2 ARG 25 -21.878 -9.317 -7.719 215 HH22 ARG 25 2HH2 ARG 25 -21.968 -9.569 -9.403 216 H ILE 26 H ILE 26 -17.815 -4.290 -4.610 217 HA ILE 26 HA ILE 26 -19.917 -5.106 -2.876 218 HB ILE 26 HB ILE 26 -17.046 -4.333 -2.249 219 HG12 ILE 26 2HG1 ILE 26 -18.411 -7.036 -2.251 220 HG13 ILE 26 1HG1 ILE 26 -17.402 -6.423 -3.555 221 HG21 ILE 26 1HG2 ILE 26 -19.101 -5.514 -0.376 222 HG22 ILE 26 2HG2 ILE 26 -18.429 -3.885 -0.282 223 HG23 ILE 26 3HG2 ILE 26 -17.389 -5.285 -0.013 224 HD11 ILE 26 3HD1 ILE 26 -15.487 -6.374 -2.044 225 HD12 ILE 26 1HD1 ILE 26 -16.187 -7.988 -2.138 226 HD13 ILE 26 2HD1 ILE 26 -16.500 -6.968 -0.731 227 H PHE 27 H PHE 27 -18.176 -2.026 -3.256 228 HA PHE 27 HA PHE 27 -19.653 -0.814 -1.122 229 HB2 PHE 27 2HB PHE 27 -17.780 0.289 -3.204 230 HB3 PHE 27 1HB PHE 27 -18.623 1.328 -2.061 231 HD1 PHE 27 1HD PHE 27 -18.098 1.241 0.293 232 HD2 PHE 27 2HD PHE 27 -15.953 -1.120 -2.501 233 HE1 PHE 27 1HE PHE 27 -16.356 0.861 1.956 234 HE2 PHE 27 2HE PHE 27 -14.196 -1.513 -0.835 235 HZ PHE 27 HZ PHE 27 -14.395 -0.518 1.409 236 H GLY 28 H GLY 28 -19.961 -1.043 -4.581 237 HA2 GLY 28 2HA GLY 28 -21.707 -0.715 -5.973 238 HA3 GLY 28 1HA GLY 28 -22.726 -0.685 -4.551 239 H GLY 29 H GLY 29 -23.162 1.268 -3.576 240 HA2 GLY 29 2HA GLY 29 -23.726 3.349 -5.468 241 HA3 GLY 29 1HA GLY 29 -24.118 3.365 -3.763 242 H SER 30 H SER 30 -21.749 3.212 -2.553 243 HA SER 30 HA SER 30 -20.582 5.742 -3.326 244 HB2 SER 30 2HB SER 30 -21.187 5.119 -0.889 245 HB3 SER 30 1HB SER 30 -19.790 4.044 -0.953 246 HG SER 30 HG SER 30 -19.894 6.669 -0.533 247 H ILE 31 H ILE 31 -19.693 5.082 -5.159 248 HA ILE 31 HA ILE 31 -18.186 2.751 -5.511 249 HB ILE 31 HB ILE 31 -19.424 3.631 -7.329 250 HG12 ILE 31 2HG1 ILE 31 -17.716 3.823 -9.149 251 HG13 ILE 31 1HG1 ILE 31 -16.472 3.891 -7.905 252 HG21 ILE 31 1HG2 ILE 31 -19.538 5.934 -6.842 253 HG22 ILE 31 2HG2 ILE 31 -18.890 5.751 -8.474 254 HG23 ILE 31 3HG2 ILE 31 -17.816 6.139 -7.129 255 HD11 ILE 31 3HD1 ILE 31 -16.678 1.667 -8.850 256 HD12 ILE 31 1HD1 ILE 31 -18.376 1.614 -8.375 257 HD13 ILE 31 2HD1 ILE 31 -17.116 1.680 -7.142 258 H VAL 32 H VAL 32 -16.350 2.434 -4.471 259 HA VAL 32 HA VAL 32 -14.188 4.395 -4.830 260 HB VAL 32 HB VAL 32 -14.594 2.553 -2.432 261 HG11 VAL 32 1HG1 VAL 32 -12.702 3.703 -1.414 262 HG12 VAL 32 2HG1 VAL 32 -12.525 4.687 -2.862 263 HG13 VAL 32 3HG1 VAL 32 -12.229 2.949 -2.942 264 HG21 VAL 32 3HG2 VAL 32 -16.193 4.395 -2.379 265 HG22 VAL 32 1HG2 VAL 32 -14.882 5.556 -2.590 266 HG23 VAL 32 2HG2 VAL 32 -14.974 4.594 -1.115 267 HA PRO 33 HA PRO 33 -12.604 0.422 -6.425 268 HB2 PRO 33 2HB PRO 33 -12.277 1.110 -9.002 269 HB3 PRO 33 1HB PRO 33 -13.823 0.592 -8.328 270 HG2 PRO 33 2HG PRO 33 -13.024 3.244 -9.259 271 HG3 PRO 33 1HG PRO 33 -14.642 2.642 -8.880 272 HD2 PRO 33 2HD PRO 33 -12.837 4.253 -7.228 273 HD3 PRO 33 1HD PRO 33 -14.556 3.902 -6.978 274 H GLN 34 H GLN 34 -11.201 3.641 -7.159 275 HA GLN 34 HA GLN 34 -8.477 2.543 -6.939 276 HB2 GLN 34 2HB GLN 34 -9.558 4.176 -9.256 277 HB3 GLN 34 1HB GLN 34 -7.851 3.916 -8.957 278 HG2 GLN 34 2HG GLN 34 -9.787 1.661 -9.420 279 HG3 GLN 34 1HG GLN 34 -8.922 2.474 -10.723 280 HE21 GLN 34 1HE2 GLN 34 -8.622 0.400 -7.961 281 HE22 GLN 34 2HE2 GLN 34 -7.007 -0.126 -8.273 282 H GLU 35 H GLU 35 -10.250 4.196 -5.312 283 HA GLU 35 HA GLU 35 -9.447 6.953 -5.724 284 HB2 GLU 35 2HB GLU 35 -11.080 5.839 -3.459 285 HB3 GLU 35 1HB GLU 35 -10.957 7.515 -3.949 286 HG2 GLU 35 2HG GLU 35 -12.279 5.282 -5.465 287 HG3 GLU 35 1HG GLU 35 -13.063 6.671 -4.709 288 H VAL 36 H VAL 36 -8.839 4.334 -3.496 289 HA VAL 36 HA VAL 36 -7.476 5.809 -1.542 290 HB VAL 36 HB VAL 36 -7.172 2.874 -2.302 291 HG11 VAL 36 1HG1 VAL 36 -5.254 3.640 -0.998 292 HG12 VAL 36 2HG1 VAL 36 -6.266 2.555 -0.045 293 HG13 VAL 36 3HG1 VAL 36 -6.335 4.295 0.230 294 HG21 VAL 36 3HG2 VAL 36 -8.678 2.449 -0.424 295 HG22 VAL 36 1HG2 VAL 36 -9.450 3.469 -1.640 296 HG23 VAL 36 2HG2 VAL 36 -8.830 4.183 -0.151 297 H GLU 37 H GLU 37 -6.285 3.969 -4.327 298 HA GLU 37 HA GLU 37 -3.574 4.494 -4.076 299 HB2 GLU 37 2HB GLU 37 -5.157 4.189 -6.632 300 HB3 GLU 37 1HB GLU 37 -3.419 4.030 -6.472 301 HG2 GLU 37 2HG GLU 37 -4.060 1.845 -6.513 302 HG3 GLU 37 1HG GLU 37 -4.030 2.166 -4.779 303 H ALA 38 H ALA 38 -6.041 6.236 -5.844 304 HA ALA 38 HA ALA 38 -4.465 8.244 -6.995 305 HB1 ALA 38 1HB ALA 38 -6.534 9.519 -7.257 306 HB2 ALA 38 2HB ALA 38 -7.333 8.462 -6.094 307 HB3 ALA 38 3HB ALA 38 -6.789 7.816 -7.641 308 H LEU 39 H LEU 39 -6.195 8.286 -3.901 309 HA LEU 39 HA LEU 39 -5.241 10.895 -3.299 310 HB2 LEU 39 2HB LEU 39 -6.880 8.902 -1.815 311 HB3 LEU 39 1HB LEU 39 -6.213 10.268 -0.951 312 HG LEU 39 HG LEU 39 -8.552 10.681 -1.578 313 HD11 LEU 39 1HD1 LEU 39 -7.065 12.570 -1.423 314 HD12 LEU 39 2HD1 LEU 39 -8.313 12.822 -2.642 315 HD13 LEU 39 3HD1 LEU 39 -6.674 12.410 -3.137 316 HD21 LEU 39 3HD2 LEU 39 -9.239 10.969 -3.906 317 HD22 LEU 39 1HD2 LEU 39 -8.680 9.320 -3.624 318 HD23 LEU 39 2HD2 LEU 39 -7.637 10.474 -4.449 319 H LEU 40 H LEU 40 -4.178 7.667 -2.487 320 HA LEU 40 HA LEU 40 -2.384 8.394 -0.462 321 HB2 LEU 40 2HB LEU 40 -2.769 6.032 -2.182 322 HB3 LEU 40 1HB LEU 40 -1.134 6.257 -1.606 323 HG LEU 40 HG LEU 40 -1.837 6.071 0.687 324 HD11 LEU 40 1HD1 LEU 40 -3.946 7.282 0.580 325 HD12 LEU 40 2HD1 LEU 40 -4.172 5.698 1.327 326 HD13 LEU 40 3HD1 LEU 40 -4.665 5.964 -0.344 327 HD21 LEU 40 3HD2 LEU 40 -3.164 3.977 -1.026 328 HD22 LEU 40 1HD2 LEU 40 -2.785 3.801 0.688 329 HD23 LEU 40 2HD2 LEU 40 -1.491 3.973 -0.492 330 H ARG 41 H ARG 41 -1.925 8.246 -3.963 331 HA ARG 41 HA ARG 41 0.796 9.064 -3.690 332 HB2 ARG 41 2HB ARG 41 0.896 9.328 -6.095 333 HB3 ARG 41 1HB ARG 41 0.052 7.846 -5.688 334 HG2 ARG 41 2HG ARG 41 -2.078 8.871 -6.230 335 HG3 ARG 41 1HG ARG 41 -1.275 10.414 -6.546 336 HD2 ARG 41 2HD ARG 41 0.063 9.308 -8.312 337 HD3 ARG 41 1HD ARG 41 -0.840 7.830 -8.020 338 HE ARG 41 HE ARG 41 -2.810 9.509 -8.582 339 HH11 ARG 41 1HH1 ARG 41 0.325 9.136 -10.194 340 HH12 ARG 41 2HH1 ARG 41 -0.306 9.375 -11.754 341 HH21 ARG 41 1HH2 ARG 41 -3.650 9.825 -10.765 342 HH22 ARG 41 2HH2 ARG 41 -2.564 9.765 -12.080 343 H ARG 42 H ARG 42 -2.223 10.723 -3.939 344 HA ARG 42 HA ARG 42 -1.268 13.311 -4.473 345 HB2 ARG 42 2HB ARG 42 -3.642 12.803 -4.594 346 HB3 ARG 42 1HB ARG 42 -3.669 12.387 -2.888 347 HG2 ARG 42 2HG ARG 42 -3.130 14.704 -2.326 348 HG3 ARG 42 1HG ARG 42 -3.172 15.121 -4.041 349 HD2 ARG 42 2HD ARG 42 -5.507 14.517 -4.172 350 HD3 ARG 42 1HD ARG 42 -5.463 13.920 -2.516 351 HE ARG 42 HE ARG 42 -4.735 16.423 -2.156 352 HH11 ARG 42 1HH1 ARG 42 -7.345 15.181 -4.186 353 HH12 ARG 42 2HH1 ARG 42 -8.425 16.444 -3.805 354 HH21 ARG 42 1HH2 ARG 42 -6.253 18.189 -1.650 355 HH22 ARG 42 2HH2 ARG 42 -7.802 18.153 -2.348 356 H GLU 43 H GLU 43 -1.788 11.550 -1.439 357 HA GLU 43 HA GLU 43 -0.894 13.677 0.181 358 HB2 GLU 43 2HB GLU 43 -1.168 10.749 0.835 359 HB3 GLU 43 1HB GLU 43 -0.867 12.021 2.016 360 HG2 GLU 43 2HG GLU 43 -3.306 11.692 0.288 361 HG3 GLU 43 1HG GLU 43 -3.199 11.493 2.036 362 H ALA 44 H ALA 44 0.724 10.921 -1.277 363 HA ALA 44 HA ALA 44 3.206 11.180 -0.042 364 HB1 ALA 44 1HB ALA 44 4.131 10.107 -2.049 365 HB2 ALA 44 2HB ALA 44 2.630 10.437 -2.915 366 HB3 ALA 44 3HB ALA 44 2.633 9.321 -1.549 367 H ALA 45 H ALA 45 1.890 12.802 -2.892 368 HA ALA 45 HA ALA 45 4.170 14.432 -3.373 369 HB1 ALA 45 1HB ALA 45 2.743 15.615 -4.960 370 HB2 ALA 45 2HB ALA 45 1.323 14.801 -4.301 371 HB3 ALA 45 3HB ALA 45 2.563 13.869 -5.136 372 H ASP 46 H ASP 46 1.457 14.656 -1.331 373 HA ASP 46 HA ASP 46 1.331 17.468 -0.886 374 HB2 ASP 46 2HB ASP 46 -0.587 15.983 -0.419 375 HB3 ASP 46 1HB ASP 46 0.367 15.155 0.796 376 H GLY 47 H GLY 47 2.944 14.778 0.645 377 HA2 GLY 47 2HA GLY 47 4.169 16.632 2.560 378 HA3 GLY 47 1HA GLY 47 4.026 14.894 2.773 379 H ILE 48 H ILE 48 5.153 16.654 -0.064 380 HA ILE 48 HA ILE 48 7.605 15.143 -0.137 381 HB ILE 48 HB ILE 48 6.377 17.263 -1.891 382 HG12 ILE 48 2HG1 ILE 48 5.535 14.988 -2.052 383 HG13 ILE 48 1HG1 ILE 48 6.271 15.524 -3.566 384 HG21 ILE 48 1HG2 ILE 48 8.218 17.042 -3.481 385 HG22 ILE 48 2HG2 ILE 48 9.104 16.085 -2.285 386 HG23 ILE 48 3HG2 ILE 48 8.709 17.774 -1.946 387 HD11 ILE 48 3HD1 ILE 48 8.294 14.213 -2.949 388 HD12 ILE 48 1HD1 ILE 48 6.846 13.222 -3.122 389 HD13 ILE 48 2HD1 ILE 48 7.438 13.632 -1.519 390 H GLN 49 H GLN 49 9.618 15.838 0.342 391 HA GLN 49 HA GLN 49 9.919 18.552 1.406 392 HB2 GLN 49 2HB GLN 49 11.096 15.977 2.414 393 HB3 GLN 49 1HB GLN 49 11.884 17.510 2.727 394 HG2 GLN 49 2HG GLN 49 10.655 16.899 4.609 395 HG3 GLN 49 1HG GLN 49 9.814 18.247 3.823 396 HE21 GLN 49 1HE2 GLN 49 9.673 14.894 2.750 397 HE22 GLN 49 2HE2 GLN 49 7.999 14.698 3.084 398 H SER 50 H SER 50 11.738 19.604 0.893 399 HA SER 50 HA SER 50 13.074 18.827 -1.479 400 HB2 SER 50 2HB SER 50 13.751 21.019 0.487 401 HB3 SER 50 1HB SER 50 14.281 20.903 -1.193 402 HG SER 50 HG SER 50 11.903 20.832 -1.629 403 H LEU 51 H LEU 51 14.671 17.507 -1.589 404 HA LEU 51 HA LEU 51 16.583 17.224 0.610 405 HB2 LEU 51 2HB LEU 51 14.872 15.286 0.200 406 HB3 LEU 51 1HB LEU 51 15.717 15.041 -1.308 407 HG LEU 51 HG LEU 51 17.805 14.579 0.012 408 HD11 LEU 51 1HD1 LEU 51 15.906 14.596 2.351 409 HD12 LEU 51 2HD1 LEU 51 17.184 15.767 2.062 410 HD13 LEU 51 3HD1 LEU 51 17.590 14.079 2.381 411 HD21 LEU 51 3HD2 LEU 51 16.422 12.781 -0.865 412 HD22 LEU 51 1HD2 LEU 51 15.422 12.832 0.587 413 HD23 LEU 51 2HD2 LEU 51 17.113 12.349 0.697 414 H GLN 52 H GLN 52 18.535 15.887 -0.823 415 HA GLN 52 HA GLN 52 19.490 17.719 -2.663 416 HB2 GLN 52 2HB GLN 52 20.134 14.763 -2.646 417 HB3 GLN 52 1HB GLN 52 21.069 16.017 -3.447 418 HG2 GLN 52 2HG GLN 52 21.354 17.055 -1.143 419 HG3 GLN 52 1HG GLN 52 20.729 15.533 -0.514 420 HE21 GLN 52 1HE2 GLN 52 23.320 16.721 -0.139 421 HE22 GLN 52 2HE2 GLN 52 24.478 15.595 -0.733 422 H GLY 53 H GLY 53 19.699 17.667 -4.919 423 HA2 GLY 53 2HA GLY 53 17.163 17.545 -6.115 424 HA3 GLY 53 1HA GLY 53 18.665 17.896 -6.940 425 H ASN 54 H ASN 54 19.190 15.005 -5.629 426 HA ASN 54 HA ASN 54 18.929 13.664 -8.093 427 HB2 ASN 54 2HB ASN 54 19.450 12.498 -5.339 428 HB3 ASN 54 1HB ASN 54 19.539 11.585 -6.842 429 HD21 ASN 54 1HD2 ASN 54 21.610 12.036 -4.887 430 HD22 ASN 54 2HD2 ASN 54 22.900 12.814 -5.703 431 H ARG 55 H ARG 55 17.027 13.789 -5.121 432 HA ARG 55 HA ARG 55 14.660 13.225 -6.408 433 HB2 ARG 55 2HB ARG 55 14.069 11.058 -5.266 434 HB3 ARG 55 1HB ARG 55 15.234 10.934 -6.570 435 HG2 ARG 55 2HG ARG 55 17.016 10.833 -4.951 436 HG3 ARG 55 1HG ARG 55 15.846 10.907 -3.633 437 HD2 ARG 55 2HD ARG 55 16.433 8.575 -4.033 438 HD3 ARG 55 1HD ARG 55 14.756 8.868 -4.478 439 HE ARG 55 HE ARG 55 16.783 8.980 -6.549 440 HH11 ARG 55 1HH1 ARG 55 14.024 7.227 -5.115 441 HH12 ARG 55 2HH1 ARG 55 13.952 6.060 -6.349 442 HH21 ARG 55 1HH2 ARG 55 16.581 7.419 -8.291 443 HH22 ARG 55 2HH2 ARG 55 15.386 6.202 -8.221 444 H LEU 56 H LEU 56 12.833 13.258 -5.001 445 HA LEU 56 HA LEU 56 13.350 15.028 -2.722 446 HB2 LEU 56 2HB LEU 56 10.790 14.354 -4.154 447 HB3 LEU 56 1HB LEU 56 11.011 15.590 -2.931 448 HG LEU 56 HG LEU 56 12.281 15.599 -5.669 449 HD11 LEU 56 1HD1 LEU 56 9.874 15.999 -5.717 450 HD12 LEU 56 2HD1 LEU 56 10.795 17.433 -6.150 451 HD13 LEU 56 3HD1 LEU 56 10.070 17.306 -4.547 452 HD21 LEU 56 3HD2 LEU 56 13.714 16.688 -4.027 453 HD22 LEU 56 1HD2 LEU 56 12.355 17.656 -3.455 454 HD23 LEU 56 2HD2 LEU 56 12.978 17.889 -5.085 455 H LEU 57 H LEU 57 12.300 14.799 -0.738 456 HA LEU 57 HA LEU 57 12.174 12.023 0.066 457 HB2 LEU 57 2HB LEU 57 13.540 13.620 1.322 458 HB3 LEU 57 1HB LEU 57 12.139 14.615 1.618 459 HG LEU 57 HG LEU 57 11.173 12.647 2.896 460 HD11 LEU 57 1HD1 LEU 57 12.682 10.928 3.651 461 HD12 LEU 57 2HD1 LEU 57 14.009 11.682 2.771 462 HD13 LEU 57 3HD1 LEU 57 12.666 10.974 1.877 463 HD21 LEU 57 3HD2 LEU 57 13.734 13.871 3.905 464 HD22 LEU 57 1HD2 LEU 57 12.491 13.118 4.901 465 HD23 LEU 57 2HD2 LEU 57 12.130 14.598 4.014 466 H ALA 58 H ALA 58 10.291 11.069 0.395 467 HA ALA 58 HA ALA 58 7.807 12.619 0.474 468 HB1 ALA 58 1HB ALA 58 8.064 11.218 -1.532 469 HB2 ALA 58 2HB ALA 58 6.785 10.579 -0.501 470 HB3 ALA 58 3HB ALA 58 8.371 9.808 -0.520 471 HA PRO 59 HA PRO 59 6.901 10.741 4.485 472 HB2 PRO 59 2HB PRO 59 4.300 9.783 3.459 473 HB3 PRO 59 1HB PRO 59 4.633 10.900 4.787 474 HG2 PRO 59 2HG PRO 59 3.606 11.794 2.503 475 HG3 PRO 59 1HG PRO 59 4.842 12.726 3.369 476 HD2 PRO 59 2HD PRO 59 5.156 10.942 0.983 477 HD3 PRO 59 1HD PRO 59 5.832 12.563 1.277 478 H ASN 60 H ASN 60 6.637 8.719 5.548 479 HA ASN 60 HA ASN 60 6.863 6.446 3.727 480 HB2 ASN 60 2HB ASN 60 8.148 5.235 5.497 481 HB3 ASN 60 1HB ASN 60 8.998 6.575 4.757 482 HD21 ASN 60 1HD2 ASN 60 10.408 6.508 6.583 483 HD22 ASN 60 2HD2 ASN 60 9.925 7.175 8.098 484 H GLU 61 H GLU 61 5.384 7.712 6.558 485 HA GLU 61 HA GLU 61 3.932 5.226 6.931 486 HB2 GLU 61 2HB GLU 61 5.121 6.125 8.884 487 HB3 GLU 61 1HB GLU 61 4.296 7.657 8.697 488 HG2 GLU 61 2HG GLU 61 2.171 6.587 9.218 489 HG3 GLU 61 1HG GLU 61 2.993 5.035 9.387 490 H TYR 62 H TYR 62 1.907 5.167 6.291 491 HA TYR 62 HA TYR 62 0.552 7.720 5.764 492 HB2 TYR 62 2HB TYR 62 0.367 5.176 4.142 493 HB3 TYR 62 1HB TYR 62 -0.680 6.566 3.912 494 HD1 TYR 62 1HD TYR 62 2.872 5.483 3.754 495 HD2 TYR 62 2HD TYR 62 0.002 8.396 2.585 496 HE1 TYR 62 1HE TYR 62 4.528 6.500 2.264 497 HE2 TYR 62 2HE TYR 62 1.655 9.423 1.083 498 HH TYR 62 HH TYR 62 4.675 7.909 0.387 499 H ILE 63 H ILE 63 -0.998 7.986 7.096 500 HA ILE 63 HA ILE 63 -2.305 5.674 8.329 501 HB ILE 63 HB ILE 63 -2.505 8.610 9.072 502 HG12 ILE 63 2HG1 ILE 63 -0.913 6.391 10.385 503 HG13 ILE 63 1HG1 ILE 63 -0.233 7.665 9.381 504 HG21 ILE 63 1HG2 ILE 63 -3.415 6.118 10.537 505 HG22 ILE 63 2HG2 ILE 63 -4.467 7.302 9.766 506 HG23 ILE 63 3HG2 ILE 63 -3.501 7.762 11.168 507 HD11 ILE 63 3HD1 ILE 63 -1.654 8.058 12.004 508 HD12 ILE 63 1HD1 ILE 63 -0.946 9.330 11.005 509 HD13 ILE 63 2HD1 ILE 63 0.088 8.103 11.742 510 H ILE 64 H ILE 64 -4.013 5.006 7.317 511 HA ILE 64 HA ILE 64 -5.654 6.885 5.771 512 HB ILE 64 HB ILE 64 -5.481 3.866 5.565 513 HG12 ILE 64 2HG1 ILE 64 -4.308 5.935 3.695 514 HG13 ILE 64 1HG1 ILE 64 -3.370 5.113 4.940 515 HG21 ILE 64 1HG2 ILE 64 -7.612 4.825 4.847 516 HG22 ILE 64 2HG2 ILE 64 -6.710 4.196 3.463 517 HG23 ILE 64 3HG2 ILE 64 -6.764 5.935 3.770 518 HD11 ILE 64 3HD1 ILE 64 -3.024 4.111 2.776 519 HD12 ILE 64 1HD1 ILE 64 -4.758 3.832 2.599 520 HD13 ILE 64 2HD1 ILE 64 -3.850 2.977 3.846 521 H THR 65 H THR 65 -7.467 7.430 6.776 522 HA THR 65 HA THR 65 -8.596 5.559 8.723 523 HB THR 65 HB THR 65 -9.075 8.534 8.532 524 HG1 THR 65 1HG THR 65 -6.864 7.361 9.101 525 HG21 THR 65 3HG2 THR 65 -10.742 7.222 9.780 526 HG22 THR 65 1HG2 THR 65 -9.803 8.265 10.848 527 HG23 THR 65 2HG2 THR 65 -9.451 6.537 10.769 528 H LEU 66 H LEU 66 -10.385 4.605 8.146 529 HA LEU 66 HA LEU 66 -12.282 5.814 6.223 530 HB2 LEU 66 2HB LEU 66 -11.405 2.987 6.711 531 HB3 LEU 66 1HB LEU 66 -13.040 3.269 6.179 532 HG LEU 66 HG LEU 66 -11.579 2.625 4.349 533 HD11 LEU 66 1HD1 LEU 66 -12.573 5.426 4.158 534 HD12 LEU 66 2HD1 LEU 66 -13.468 3.944 3.828 535 HD13 LEU 66 3HD1 LEU 66 -12.118 4.408 2.792 536 HD21 LEU 66 3HD2 LEU 66 -10.079 5.168 4.932 537 HD22 LEU 66 1HD2 LEU 66 -9.842 4.140 3.518 538 HD23 LEU 66 2HD2 LEU 66 -9.468 3.523 5.127 539 H GLY 67 H GLY 67 -14.539 4.543 6.664 540 HA2 GLY 67 2HA GLY 67 -15.189 4.987 9.458 541 HA3 GLY 67 1HA GLY 67 -16.322 4.731 8.127 542 H VAL 68 H VAL 68 -17.115 3.146 9.920 543 HA VAL 68 HA VAL 68 -15.490 0.864 10.308 544 HB VAL 68 HB VAL 68 -16.933 1.431 12.022 545 HG11 VAL 68 1HG1 VAL 68 -18.794 2.485 10.860 546 HG12 VAL 68 2HG1 VAL 68 -19.429 1.214 11.906 547 HG13 VAL 68 3HG1 VAL 68 -19.280 0.934 10.173 548 HG21 VAL 68 3HG2 VAL 68 -16.453 -0.914 11.908 549 HG22 VAL 68 1HG2 VAL 68 -17.813 -1.184 10.817 550 HG23 VAL 68 2HG2 VAL 68 -18.107 -0.717 12.492 551 H HIS 69 H HIS 69 -18.503 1.154 8.457 552 HA HIS 69 HA HIS 69 -18.602 -1.468 7.478 553 HB2 HIS 69 2HB HIS 69 -20.552 -0.106 7.230 554 HB3 HIS 69 1HB HIS 69 -19.657 1.158 6.403 555 HD1 HIS 69 1HD HIS 69 -19.721 1.108 3.915 556 HD2 HIS 69 2HD HIS 69 -21.006 -2.457 5.599 557 HE1 HIS 69 1HE HIS 69 -20.514 -0.321 1.992 558 H ASP 70 H ASP 70 -17.276 1.430 6.045 559 HA ASP 70 HA ASP 70 -16.367 0.138 3.784 560 HB2 ASP 70 2HB ASP 70 -15.039 2.424 3.567 561 HB3 ASP 70 1HB ASP 70 -16.768 2.315 3.295 562 H PHE 71 H PHE 71 -14.761 0.636 6.896 563 HA PHE 71 HA PHE 71 -12.198 0.030 5.890 564 HB2 PHE 71 2HB PHE 71 -12.406 1.092 7.981 565 HB3 PHE 71 1HB PHE 71 -13.449 -0.173 8.626 566 HD1 PHE 71 2HD PHE 71 -10.026 0.680 7.632 567 HD2 PHE 71 1HD PHE 71 -12.538 -2.078 9.612 568 HE1 PHE 71 2HE PHE 71 -8.033 -0.418 8.607 569 HE2 PHE 71 1HE PHE 71 -10.562 -3.198 10.608 570 HZ PHE 71 HZ PHE 71 -8.307 -2.352 10.095 571 H GLU 72 H GLU 72 -14.812 -1.923 7.213 572 HA GLU 72 HA GLU 72 -13.518 -4.426 7.375 573 HB2 GLU 72 2HB GLU 72 -16.401 -3.935 6.693 574 HB3 GLU 72 1HB GLU 72 -15.709 -5.369 7.428 575 HG2 GLU 72 2HG GLU 72 -15.273 -4.168 9.448 576 HG3 GLU 72 1HG GLU 72 -15.801 -2.656 8.696 577 H LYS 73 H LYS 73 -15.228 -2.767 4.836 578 HA LYS 73 HA LYS 73 -15.197 -5.061 3.135 579 HB2 LYS 73 2HB LYS 73 -16.390 -2.322 2.858 580 HB3 LYS 73 1HB LYS 73 -16.268 -3.372 1.460 581 HG2 LYS 73 2HG LYS 73 -18.506 -3.456 2.572 582 HG3 LYS 73 1HG LYS 73 -17.718 -5.024 2.480 583 HD2 LYS 73 2HD LYS 73 -17.081 -4.859 4.833 584 HD3 LYS 73 1HD LYS 73 -17.758 -3.235 4.925 585 HE2 LYS 73 2HE LYS 73 -19.980 -4.129 4.516 586 HE3 LYS 73 1HE LYS 73 -19.310 -5.746 4.334 587 HZ1 LYS 73 3HZ LYS 73 -19.097 -4.180 6.888 588 HZ2 LYS 73 1HZ LYS 73 -18.704 -5.784 6.625 589 HZ3 LYS 73 2HZ LYS 73 -20.305 -5.305 6.569 590 H LEU 74 H LEU 74 -13.077 -2.428 3.658 591 HA LEU 74 HA LEU 74 -11.706 -2.618 1.158 592 HB2 LEU 74 2HB LEU 74 -10.587 -1.917 3.884 593 HB3 LEU 74 1HB LEU 74 -9.725 -1.746 2.379 594 HG LEU 74 HG LEU 74 -12.075 -0.117 3.338 595 HD11 LEU 74 1HD1 LEU 74 -10.028 0.486 4.382 596 HD12 LEU 74 2HD1 LEU 74 -10.379 1.700 3.133 597 HD13 LEU 74 3HD1 LEU 74 -9.182 0.453 2.842 598 HD21 LEU 74 3HD2 LEU 74 -12.250 -0.499 0.900 599 HD22 LEU 74 1HD2 LEU 74 -10.589 0.063 0.707 600 HD23 LEU 74 2HD2 LEU 74 -11.834 1.175 1.272 601 H GLY 75 H GLY 75 -11.379 -4.102 4.322 602 HA2 GLY 75 2HA GLY 75 -10.616 -6.579 3.262 603 HA3 GLY 75 1HA GLY 75 -9.209 -5.700 3.839 604 H ALA 76 H ALA 76 -11.467 -7.869 4.683 605 HA ALA 76 HA ALA 76 -11.850 -7.232 7.444 606 HB1 ALA 76 1HB ALA 76 -12.537 -9.597 7.671 607 HB2 ALA 76 2HB ALA 76 -11.946 -9.920 6.040 608 HB3 ALA 76 3HB ALA 76 -13.318 -8.839 6.283 609 H ASP 77 H ASP 77 -9.402 -8.449 5.549 610 HA ASP 77 HA ASP 77 -7.631 -9.013 7.841 611 HB2 ASP 77 2HB ASP 77 -7.107 -9.612 4.899 612 HB3 ASP 77 1HB ASP 77 -6.173 -10.184 6.265 613 HA PRO 78 HA PRO 78 -6.910 -4.744 6.236 614 HB2 PRO 78 2HB PRO 78 -5.759 -4.230 8.879 615 HB3 PRO 78 1HB PRO 78 -7.132 -3.452 8.086 616 HG2 PRO 78 2HG PRO 78 -7.462 -5.096 10.189 617 HG3 PRO 78 1HG PRO 78 -8.642 -5.019 8.868 618 HD2 PRO 78 2HD PRO 78 -6.475 -7.027 9.360 619 HD3 PRO 78 1HD PRO 78 -8.167 -7.293 8.869 620 H GLU 79 H GLU 79 -4.563 -6.741 7.940 621 HA GLU 79 HA GLU 79 -2.439 -4.955 7.343 622 HB2 GLU 79 2HB GLU 79 -2.487 -6.360 9.386 623 HB3 GLU 79 1HB GLU 79 -2.247 -7.781 8.382 624 HG2 GLU 79 2HG GLU 79 -0.075 -7.068 7.753 625 HG3 GLU 79 1HG GLU 79 -0.325 -5.482 8.477 626 H LEU 80 H LEU 80 -3.818 -7.718 5.755 627 HA LEU 80 HA LEU 80 -1.713 -8.193 3.937 628 HB2 LEU 80 2HB LEU 80 -4.690 -8.531 3.578 629 HB3 LEU 80 1HB LEU 80 -3.482 -9.119 2.458 630 HG LEU 80 HG LEU 80 -3.900 -10.069 5.294 631 HD11 LEU 80 1HD1 LEU 80 -5.607 -10.829 3.740 632 HD12 LEU 80 2HD1 LEU 80 -4.562 -12.152 4.250 633 HD13 LEU 80 3HD1 LEU 80 -4.358 -11.434 2.650 634 HD21 LEU 80 3HD2 LEU 80 -2.208 -11.768 4.765 635 HD22 LEU 80 1HD2 LEU 80 -1.525 -10.143 4.717 636 HD23 LEU 80 2HD2 LEU 80 -1.907 -10.985 3.216 637 H LYS 81 H LYS 81 -4.326 -5.887 4.024 638 HA LYS 81 HA LYS 81 -3.779 -4.795 1.436 639 HB2 LYS 81 2HB LYS 81 -5.381 -3.664 3.749 640 HB3 LYS 81 1HB LYS 81 -5.317 -2.955 2.143 641 HG2 LYS 81 2HG LYS 81 -6.414 -5.687 2.827 642 HG3 LYS 81 1HG LYS 81 -7.365 -4.248 2.457 643 HD2 LYS 81 2HD LYS 81 -6.417 -4.181 0.205 644 HD3 LYS 81 1HD LYS 81 -5.405 -5.573 0.591 645 HE2 LYS 81 2HE LYS 81 -7.386 -6.947 0.891 646 HE3 LYS 81 1HE LYS 81 -8.422 -5.569 0.512 647 HZ1 LYS 81 3HZ LYS 81 -8.114 -7.005 -1.420 648 HZ2 LYS 81 1HZ LYS 81 -6.438 -6.816 -1.319 649 HZ3 LYS 81 2HZ LYS 81 -7.399 -5.501 -1.687 650 H SER 82 H SER 82 -2.808 -4.123 4.721 651 HA SER 82 HA SER 82 -1.413 -1.745 4.325 652 HB2 SER 82 2HB SER 82 -1.782 -2.579 6.579 653 HB3 SER 82 1HB SER 82 -0.881 -4.050 6.220 654 HG SER 82 HG SER 82 0.036 -1.439 6.675 655 H THR 83 H THR 83 -0.247 -5.116 4.139 656 HA THR 83 HA THR 83 2.332 -4.503 3.288 657 HB THR 83 HB THR 83 0.695 -6.976 2.680 658 HG1 THR 83 1HG THR 83 1.734 -5.924 5.010 659 HG21 THR 83 3HG2 THR 83 2.842 -6.839 1.457 660 HG22 THR 83 1HG2 THR 83 2.882 -8.110 2.682 661 HG23 THR 83 2HG2 THR 83 3.682 -6.570 2.986 662 H GLY 84 H GLY 84 -0.651 -5.178 1.454 663 HA2 GLY 84 2HA GLY 84 0.417 -5.269 -1.124 664 HA3 GLY 84 1HA GLY 84 -1.233 -4.816 -0.732 665 H PHE 85 H PHE 85 -1.152 -2.470 0.434 666 HA PHE 85 HA PHE 85 -0.516 -0.741 -1.703 667 HB2 PHE 85 2HB PHE 85 -1.590 -0.260 1.050 668 HB3 PHE 85 1HB PHE 85 -1.191 1.088 -0.014 669 HD1 PHE 85 2HD PHE 85 -3.435 -1.767 0.545 670 HD2 PHE 85 1HD PHE 85 -2.535 1.569 -1.937 671 HE1 PHE 85 2HE PHE 85 -5.641 -1.964 -0.514 672 HE2 PHE 85 1HE PHE 85 -4.729 1.386 -2.997 673 HZ PHE 85 HZ PHE 85 -6.298 -0.390 -2.293 674 H ALA 86 H ALA 86 1.213 -1.575 1.202 675 HA ALA 86 HA ALA 86 2.979 0.634 1.214 676 HB1 ALA 86 1HB ALA 86 4.406 -0.717 2.653 677 HB2 ALA 86 2HB ALA 86 3.480 -2.160 2.235 678 HB3 ALA 86 3HB ALA 86 2.720 -0.855 3.148 679 H ARG 87 H ARG 87 3.219 -2.599 -0.227 680 HA ARG 87 HA ARG 87 5.793 -2.286 -1.348 681 HB2 ARG 87 2HB ARG 87 3.492 -4.066 -2.155 682 HB3 ARG 87 1HB ARG 87 5.160 -4.252 -2.665 683 HG2 ARG 87 2HG ARG 87 4.214 -4.418 0.182 684 HG3 ARG 87 1HG ARG 87 4.502 -5.806 -0.865 685 HD2 ARG 87 2HD ARG 87 6.792 -5.260 -1.058 686 HD3 ARG 87 1HD ARG 87 6.568 -3.737 -0.220 687 HE ARG 87 HE ARG 87 6.223 -4.843 1.802 688 HH11 ARG 87 1HH1 ARG 87 7.088 -7.207 -0.707 689 HH12 ARG 87 2HH1 ARG 87 7.760 -8.312 0.383 690 HH21 ARG 87 1HH2 ARG 87 7.172 -6.322 3.273 691 HH22 ARG 87 2HH2 ARG 87 7.814 -7.798 2.733 692 H ASP 88 H ASP 88 2.558 -1.920 -2.517 693 HA ASP 88 HA ASP 88 2.978 -1.325 -5.215 694 HB2 ASP 88 2HB ASP 88 0.757 -1.726 -4.014 695 HB3 ASP 88 1HB ASP 88 0.839 -0.053 -3.489 696 H LEU 89 H LEU 89 2.494 1.016 -2.516 697 HA LEU 89 HA LEU 89 3.144 3.310 -4.010 698 HB2 LEU 89 2HB LEU 89 3.107 2.788 -1.065 699 HB3 LEU 89 1HB LEU 89 3.622 4.323 -1.713 700 HG LEU 89 HG LEU 89 0.874 3.097 -2.006 701 HD11 LEU 89 1HD1 LEU 89 0.227 4.981 -0.545 702 HD12 LEU 89 2HD1 LEU 89 1.924 5.428 -0.408 703 HD13 LEU 89 3HD1 LEU 89 1.366 3.885 0.240 704 HD21 LEU 89 3HD2 LEU 89 1.948 5.777 -2.910 705 HD22 LEU 89 1HD2 LEU 89 0.262 5.271 -2.986 706 HD23 LEU 89 2HD2 LEU 89 1.468 4.452 -3.974 707 H ALA 90 H ALA 90 5.174 1.080 -2.219 708 HA ALA 90 HA ALA 90 7.449 2.727 -2.003 709 HB1 ALA 90 1HB ALA 90 8.732 0.684 -1.656 710 HB2 ALA 90 2HB ALA 90 7.383 -0.278 -2.266 711 HB3 ALA 90 3HB ALA 90 7.215 0.621 -0.760 712 H ASP 91 H ASP 91 6.344 0.631 -4.606 713 HA ASP 91 HA ASP 91 8.820 1.070 -6.068 714 HB2 ASP 91 2HB ASP 91 7.321 -1.072 -6.066 715 HB3 ASP 91 1HB ASP 91 6.344 -0.173 -7.223 716 H TYR 92 H TYR 92 5.634 2.123 -5.783 717 HA TYR 92 HA TYR 92 5.210 3.571 -8.148 718 HB2 TYR 92 2HB TYR 92 3.742 2.796 -6.100 719 HB3 TYR 92 1HB TYR 92 4.112 4.421 -5.544 720 HD1 TYR 92 1HD TYR 92 3.069 2.714 -8.606 721 HD2 TYR 92 2HD TYR 92 2.593 5.982 -6.019 722 HE1 TYR 92 1HE TYR 92 1.138 3.483 -9.983 723 HE2 TYR 92 2HE TYR 92 0.725 6.801 -7.299 724 HH TYR 92 HH TYR 92 -0.899 4.915 -9.585 725 H ILE 93 H ILE 93 6.482 4.546 -4.935 726 HA ILE 93 HA ILE 93 6.945 7.202 -5.797 727 HB ILE 93 HB ILE 93 8.360 7.546 -3.806 728 HG12 ILE 93 2HG1 ILE 93 7.868 4.619 -3.194 729 HG13 ILE 93 1HG1 ILE 93 9.402 5.290 -3.726 730 HG21 ILE 93 1HG2 ILE 93 5.780 6.120 -3.214 731 HG22 ILE 93 2HG2 ILE 93 5.976 7.832 -3.587 732 HG23 ILE 93 3HG2 ILE 93 6.642 7.173 -2.094 733 HD11 ILE 93 3HD1 ILE 93 9.392 4.901 -1.328 734 HD12 ILE 93 1HD1 ILE 93 7.981 5.944 -1.150 735 HD13 ILE 93 2HD1 ILE 93 9.521 6.625 -1.677 736 H GLN 94 H GLN 94 8.869 4.261 -5.922 737 HA GLN 94 HA GLN 94 11.255 5.443 -6.853 738 HB2 GLN 94 2HB GLN 94 10.027 2.776 -7.503 739 HB3 GLN 94 1HB GLN 94 11.613 3.265 -8.075 740 HG2 GLN 94 2HG GLN 94 10.734 2.876 -5.214 741 HG3 GLN 94 1HG GLN 94 11.814 1.834 -6.138 742 HE21 GLN 94 1HE2 GLN 94 12.302 3.184 -3.642 743 HE22 GLN 94 2HE2 GLN 94 13.700 4.176 -3.920 744 H GLU 95 H GLU 95 8.376 4.350 -8.551 745 HA GLU 95 HA GLU 95 9.067 4.907 -11.131 746 HB2 GLU 95 2HB GLU 95 6.474 4.927 -9.642 747 HB3 GLU 95 1HB GLU 95 6.478 5.313 -11.340 748 HG2 GLU 95 2HG GLU 95 7.603 2.767 -10.209 749 HG3 GLU 95 1HG GLU 95 5.932 2.942 -10.737 750 H GLN 96 H GLN 96 7.827 7.035 -8.620 751 HA GLN 96 HA GLN 96 7.591 9.378 -10.337 752 HB2 GLN 96 2HB GLN 96 7.519 9.254 -7.345 753 HB3 GLN 96 1HB GLN 96 6.904 10.537 -8.357 754 HG2 GLN 96 2HG GLN 96 5.811 7.759 -7.999 755 HG3 GLN 96 1HG GLN 96 5.061 9.275 -7.527 756 HE21 GLN 96 1HE2 GLN 96 4.156 7.076 -9.195 757 HE22 GLN 96 2HE2 GLN 96 3.695 7.761 -10.705 758 H GLY 97 H GLY 97 10.104 7.890 -8.628 759 HA2 GLY 97 2HA GLY 97 12.318 8.520 -8.488 760 HA3 GLY 97 1HA GLY 97 11.908 10.044 -9.255 761 H TRP 98 H TRP 98 10.414 8.743 -6.339 762 HA TRP 98 HA TRP 98 11.715 10.869 -4.777 763 HB2 TRP 98 2HB TRP 98 9.055 9.519 -4.235 764 HB3 TRP 98 1HB TRP 98 9.767 10.836 -3.324 765 HD1 TRP 98 HD TRP 98 10.470 12.663 -5.973 766 HE1 TRP 98 1HE TRP 98 8.510 13.843 -7.162 767 HE3 TRP 98 3HE TRP 98 6.616 9.836 -4.176 768 HZ2 TRP 98 2HZ TRP 98 5.696 13.622 -7.286 769 HZ3 TRP 98 3HZ TRP 98 4.331 10.375 -4.861 770 HH2 TRP 98 HH TRP 98 3.870 12.240 -6.385 771 H GLN 99 H GLN 99 11.526 10.114 -2.302 772 HA GLN 99 HA GLN 99 11.716 7.283 -1.877 773 HB2 GLN 99 2HB GLN 99 13.944 7.357 -0.905 774 HB3 GLN 99 1HB GLN 99 13.955 7.682 -2.643 775 HG2 GLN 99 2HG GLN 99 14.302 10.009 -2.237 776 HG3 GLN 99 1HG GLN 99 14.109 9.772 -0.497 777 HE21 GLN 99 1HE2 GLN 99 16.165 10.623 -0.168 778 HE22 GLN 99 2HE2 GLN 99 17.578 9.685 -0.549 779 H THR 100 H THR 100 12.553 7.007 0.552 780 HA THR 100 HA THR 100 11.943 9.236 2.204 781 HB THR 100 HB THR 100 9.699 8.212 1.721 782 HG1 THR 100 1HG THR 100 9.513 9.091 3.545 783 HG21 THR 100 3HG2 THR 100 10.408 5.865 1.447 784 HG22 THR 100 1HG2 THR 100 9.157 6.003 2.684 785 HG23 THR 100 2HG2 THR 100 10.842 5.793 3.156 786 H TYR 101 H TYR 101 12.246 8.335 4.599 787 HA TYR 101 HA TYR 101 14.697 6.719 4.486 788 HB2 TYR 101 2HB TYR 101 13.375 7.979 6.910 789 HB3 TYR 101 1HB TYR 101 14.967 7.255 6.857 790 HD1 TYR 101 2HD TYR 101 16.485 8.467 4.851 791 HD2 TYR 101 1HD TYR 101 13.337 10.233 7.109 792 HE1 TYR 101 2HE TYR 101 17.454 10.702 4.460 793 HE2 TYR 101 1HE TYR 101 14.295 12.452 6.732 794 HH TYR 101 HH TYR 101 16.505 13.385 6.253 795 H GLY 102 H GLY 102 14.412 4.557 4.654 796 HA2 GLY 102 2HA GLY 102 13.738 2.749 6.089 797 HA3 GLY 102 1HA GLY 102 12.264 3.651 6.444 798 H ASP 103 H ASP 103 10.984 1.972 5.788 799 HA ASP 103 HA ASP 103 10.706 1.858 2.886 800 HB2 ASP 103 2HB ASP 103 9.975 -0.456 2.942 801 HB3 ASP 103 1HB ASP 103 11.494 -0.368 3.805 802 H VAL 104 H VAL 104 8.485 1.667 2.195 803 HA VAL 104 HA VAL 104 6.887 3.543 3.590 804 HB VAL 104 HB VAL 104 6.152 1.767 1.243 805 HG11 VAL 104 1HG1 VAL 104 4.371 3.405 0.790 806 HG12 VAL 104 2HG1 VAL 104 4.788 4.252 2.284 807 HG13 VAL 104 3HG1 VAL 104 4.156 2.610 2.350 808 HG21 VAL 104 3HG2 VAL 104 7.150 4.613 1.322 809 HG22 VAL 104 1HG2 VAL 104 6.611 3.758 -0.124 810 HG23 VAL 104 2HG2 VAL 104 8.042 3.203 0.744 811 H VAL 105 H VAL 105 5.423 3.257 5.110 812 HA VAL 105 HA VAL 105 4.274 0.614 5.452 813 HB VAL 105 HB VAL 105 4.185 1.065 7.936 814 HG11 VAL 105 1HG1 VAL 105 6.546 0.526 8.382 815 HG12 VAL 105 2HG1 VAL 105 6.940 0.952 6.714 816 HG13 VAL 105 3HG1 VAL 105 5.882 -0.418 7.050 817 HG21 VAL 105 3HG2 VAL 105 6.088 3.320 7.273 818 HG22 VAL 105 1HG2 VAL 105 5.724 2.730 8.898 819 HG23 VAL 105 2HG2 VAL 105 4.458 3.478 7.931 820 H VAL 106 H VAL 106 2.102 0.646 5.246 821 HA VAL 106 HA VAL 106 0.802 3.202 5.700 822 HB VAL 106 HB VAL 106 -0.797 2.683 4.019 823 HG11 VAL 106 1HG1 VAL 106 0.536 2.653 1.962 824 HG12 VAL 106 2HG1 VAL 106 1.933 2.131 2.893 825 HG13 VAL 106 3HG1 VAL 106 1.249 3.726 3.172 826 HG21 VAL 106 3HG2 VAL 106 -1.032 0.307 4.266 827 HG22 VAL 106 1HG2 VAL 106 0.587 0.040 3.613 828 HG23 VAL 106 2HG2 VAL 106 -0.686 0.691 2.578 829 H ARG 107 H ARG 107 -1.101 3.145 6.859 830 HA ARG 107 HA ARG 107 -2.014 0.554 7.729 831 HB2 ARG 107 2HB ARG 107 -2.122 1.391 10.130 832 HB3 ARG 107 1HB ARG 107 -0.569 0.885 9.502 833 HG2 ARG 107 2HG ARG 107 0.129 3.176 9.240 834 HG3 ARG 107 1HG ARG 107 -1.474 3.755 9.711 835 HD2 ARG 107 2HD ARG 107 -1.219 2.969 11.913 836 HD3 ARG 107 1HD ARG 107 0.172 1.984 11.482 837 HE ARG 107 HE ARG 107 1.406 4.037 11.196 838 HH11 ARG 107 1HH1 ARG 107 -1.624 4.349 13.033 839 HH12 ARG 107 2HH1 ARG 107 -1.011 5.554 14.063 840 HH21 ARG 107 1HH2 ARG 107 2.226 5.657 12.663 841 HH22 ARG 107 2HH2 ARG 107 1.212 6.302 13.869 842 H PHE 108 H PHE 108 -4.033 0.356 7.954 843 HA PHE 108 HA PHE 108 -5.754 2.652 7.434 844 HB2 PHE 108 2HB PHE 108 -6.303 -0.333 7.386 845 HB3 PHE 108 1HB PHE 108 -7.450 0.923 6.945 846 HD1 PHE 108 1HD PHE 108 -4.305 -0.770 5.961 847 HD2 PHE 108 2HD PHE 108 -7.451 1.836 4.765 848 HE1 PHE 108 1HE PHE 108 -3.569 -0.961 3.624 849 HE2 PHE 108 2HE PHE 108 -6.717 1.650 2.427 850 HZ PHE 108 HZ PHE 108 -4.774 0.250 1.853 851 H GLU 109 H GLU 109 -7.514 3.045 8.814 852 HA GLU 109 HA GLU 109 -8.072 1.392 11.069 853 HB2 GLU 109 2HB GLU 109 -7.736 3.251 12.731 854 HB3 GLU 109 1HB GLU 109 -6.259 2.546 12.098 855 HG2 GLU 109 2HG GLU 109 -6.029 4.446 10.563 856 HG3 GLU 109 1HG GLU 109 -7.497 5.150 11.240 857 H GLN 110 H GLN 110 -9.822 2.527 12.449 858 HA GLN 110 HA GLN 110 -11.776 3.508 10.515 859 HB2 GLN 110 2HB GLN 110 -12.162 2.370 13.263 860 HB3 GLN 110 1HB GLN 110 -13.442 2.934 12.207 861 HG2 GLN 110 2HG GLN 110 -12.851 1.209 10.593 862 HG3 GLN 110 1HG GLN 110 -11.582 0.644 11.685 863 HE21 GLN 110 1HE2 GLN 110 -12.531 -1.371 11.944 864 HE22 GLN 110 2HE2 GLN 110 -13.964 -1.587 12.884 865 H SER 111 H SER 111 -13.325 4.983 11.183 866 HA SER 111 HA SER 111 -12.791 6.764 13.407 867 HB2 SER 111 2HB SER 111 -11.850 7.913 11.475 868 HB3 SER 111 1HB SER 111 -13.298 7.572 10.528 869 HG SER 111 HG SER 111 -12.825 9.455 12.497 870 H SER 112 H SER 112 -14.675 7.210 14.407 871 HA SER 112 HA SER 112 -17.068 5.930 13.480 872 HB2 SER 112 2HB SER 112 -16.639 7.737 15.854 873 HB3 SER 112 1HB SER 112 -17.964 6.594 15.588 874 HG SER 112 HG SER 112 -15.855 5.139 15.337 875 H ASN 113 H ASN 113 -15.559 8.927 13.001 876 HA ASN 113 HA ASN 113 -17.954 10.500 12.732 877 HB2 ASN 113 2HB ASN 113 -15.027 11.005 12.383 878 HB3 ASN 113 1HB ASN 113 -16.201 12.134 11.737 879 HD21 ASN 113 1HD2 ASN 113 -14.777 10.799 14.619 880 HD22 ASN 113 2HD2 ASN 113 -15.419 11.978 15.693 881 H LEU 114 H LEU 114 -15.814 8.659 10.761 882 HA LEU 114 HA LEU 114 -16.700 9.912 8.306 883 HB2 LEU 114 2HB LEU 114 -14.791 7.645 8.790 884 HB3 LEU 114 1HB LEU 114 -15.112 8.357 7.228 885 HG LEU 114 HG LEU 114 -13.735 9.633 9.581 886 HD11 LEU 114 1HD1 LEU 114 -12.357 8.146 8.268 887 HD12 LEU 114 2HD1 LEU 114 -11.861 9.822 8.041 888 HD13 LEU 114 3HD1 LEU 114 -12.807 9.007 6.796 889 HD21 LEU 114 3HD2 LEU 114 -15.137 11.319 8.618 890 HD22 LEU 114 1HD2 LEU 114 -14.626 10.874 6.994 891 HD23 LEU 114 2HD2 LEU 114 -13.473 11.617 8.106 892 H HIS 115 H HIS 115 -17.776 8.832 6.591 893 HA HIS 115 HA HIS 115 -18.995 6.295 7.368 894 HB2 HIS 115 2HB HIS 115 -20.264 8.698 6.059 895 HB3 HIS 115 1HB HIS 115 -21.003 7.102 6.060 896 HD1 HIS 115 1HD HIS 115 -20.822 10.187 8.005 897 HD2 HIS 115 2HD HIS 115 -21.598 6.184 8.792 898 HE1 HIS 115 1HE HIS 115 -21.921 10.118 10.277 899 H THR 116 H THR 116 -19.858 5.191 5.269 900 HA THR 116 HA THR 116 -17.706 4.758 3.592 901 HB THR 116 HB THR 116 -20.620 4.242 3.046 902 HG1 THR 116 1HG THR 116 -18.770 3.154 4.777 903 HG21 THR 116 3HG2 THR 116 -19.808 2.403 1.629 904 HG22 THR 116 1HG2 THR 116 -18.141 2.887 1.962 905 HG23 THR 116 2HG2 THR 116 -19.208 3.966 1.071 906 H GLY 117 H GLY 117 -16.845 6.108 2.285 907 HA2 GLY 117 2HA GLY 117 -17.260 7.178 0.052 908 HA3 GLY 117 1HA GLY 117 -18.478 8.121 0.918 909 H GLN 118 H GLN 118 -16.813 7.984 3.375 910 HA GLN 118 HA GLN 118 -15.057 10.229 2.749 911 HB2 GLN 118 2HB GLN 118 -15.469 8.878 5.385 912 HB3 GLN 118 1HB GLN 118 -14.687 10.414 5.077 913 HG2 GLN 118 2HG GLN 118 -17.576 9.738 4.943 914 HG3 GLN 118 1HG GLN 118 -16.718 10.738 6.137 915 HE21 GLN 118 1HE2 GLN 118 -18.186 10.577 3.083 916 HE22 GLN 118 2HE2 GLN 118 -18.061 12.256 2.749 917 H PHE 119 H PHE 119 -12.993 10.118 3.348 918 HA PHE 119 HA PHE 119 -11.723 8.140 4.748 919 HB2 PHE 119 2HB PHE 119 -10.411 6.873 3.112 920 HB3 PHE 119 1HB PHE 119 -12.098 6.736 2.714 921 HD1 PHE 119 1HD PHE 119 -13.020 7.621 0.703 922 HD2 PHE 119 2HD PHE 119 -8.933 8.161 1.696 923 HE1 PHE 119 1HE PHE 119 -12.556 8.296 -1.610 924 HE2 PHE 119 2HE PHE 119 -8.447 8.833 -0.553 925 HZ PHE 119 HZ PHE 119 -10.269 8.910 -2.262 926 H ARG 120 H ARG 120 -9.608 8.636 5.104 927 HA ARG 120 HA ARG 120 -8.529 10.975 3.787 928 HB2 ARG 120 2HB ARG 120 -9.244 10.924 6.713 929 HB3 ARG 120 1HB ARG 120 -7.889 11.883 6.150 930 HG2 ARG 120 2HG ARG 120 -10.729 12.179 5.176 931 HG3 ARG 120 1HG ARG 120 -9.953 13.206 6.389 932 HD2 ARG 120 2HD ARG 120 -8.249 13.848 4.733 933 HD3 ARG 120 1HD ARG 120 -9.046 12.851 3.527 934 HE ARG 120 HE ARG 120 -10.868 14.717 4.577 935 HH11 ARG 120 1HH1 ARG 120 -8.024 14.555 2.488 936 HH12 ARG 120 2HH1 ARG 120 -8.439 15.926 1.568 937 HH21 ARG 120 1HH2 ARG 120 -11.449 16.594 3.313 938 HH22 ARG 120 2HH2 ARG 120 -10.458 17.113 2.025 939 H ALA 121 H ALA 121 -6.453 10.858 3.505 940 HA ALA 121 HA ALA 121 -5.007 8.804 5.004 941 HB1 ALA 121 1HB ALA 121 -4.603 9.712 2.144 942 HB2 ALA 121 2HB ALA 121 -5.286 8.170 2.650 943 HB3 ALA 121 3HB ALA 121 -3.596 8.544 2.998 944 H ARG 122 H ARG 122 -3.188 9.471 5.949 945 HA ARG 122 HA ARG 122 -2.289 12.211 5.392 946 HB2 ARG 122 2HB ARG 122 -3.458 12.114 7.545 947 HB3 ARG 122 1HB ARG 122 -2.422 10.795 8.060 948 HG2 ARG 122 2HG ARG 122 -1.770 12.889 9.086 949 HG3 ARG 122 1HG ARG 122 -0.497 12.304 8.015 950 HD2 ARG 122 2HD ARG 122 -1.235 13.849 6.288 951 HD3 ARG 122 1HD ARG 122 -2.540 14.416 7.332 952 HE ARG 122 HE ARG 122 -0.476 14.897 8.866 953 HH11 ARG 122 1HH1 ARG 122 -0.755 15.503 5.375 954 HH12 ARG 122 2HH1 ARG 122 0.215 16.892 5.402 955 HH21 ARG 122 1HH2 ARG 122 0.898 16.795 8.872 956 HH22 ARG 122 2HH2 ARG 122 1.177 17.657 7.425 957 H GLY 123 H GLY 123 -0.230 12.285 4.780 958 HA2 GLY 123 2HA GLY 123 1.381 9.899 5.197 959 HA3 GLY 123 1HA GLY 123 1.733 11.186 4.051 960 H THR 124 H THR 124 2.850 9.855 6.732 961 HA THR 124 HA THR 124 3.857 12.368 7.796 962 HB THR 124 HB THR 124 4.139 10.961 9.932 963 HG1 THR 124 1HG THR 124 3.142 9.010 10.018 964 HG21 THR 124 3HG2 THR 124 1.363 11.590 8.922 965 HG22 THR 124 1HG2 THR 124 2.442 12.707 9.757 966 HG23 THR 124 2HG2 THR 124 1.780 11.306 10.608 967 H VAL 125 H VAL 125 6.047 12.529 8.033 968 HA VAL 125 HA VAL 125 7.646 10.297 7.065 969 HB VAL 125 HB VAL 125 8.530 13.087 7.915 970 HG11 VAL 125 1HG1 VAL 125 10.314 11.441 8.181 971 HG12 VAL 125 2HG1 VAL 125 10.676 12.520 6.833 972 HG13 VAL 125 3HG1 VAL 125 10.072 10.894 6.521 973 HG21 VAL 125 3HG2 VAL 125 8.790 13.611 5.582 974 HG22 VAL 125 1HG2 VAL 125 7.143 13.059 5.857 975 HG23 VAL 125 2HG2 VAL 125 8.332 11.979 5.113 976 H ASN 126 H ASN 126 7.837 8.827 8.600 977 HA ASN 126 HA ASN 126 8.388 9.722 11.326 978 HB2 ASN 126 2HB ASN 126 6.385 8.323 11.059 979 HB3 ASN 126 1HB ASN 126 7.338 7.092 10.249 980 HD21 ASN 126 1HD2 ASN 126 6.559 5.645 11.805 981 HD22 ASN 126 2HD2 ASN 126 7.238 5.579 13.394 982 HA PRO 127 HA PRO 127 12.436 8.333 9.913 983 HB2 PRO 127 2HB PRO 127 13.855 9.360 12.007 984 HB3 PRO 127 1HB PRO 127 13.360 10.309 10.602 985 HG2 PRO 127 2HG PRO 127 12.149 10.161 13.320 986 HG3 PRO 127 1HG PRO 127 12.348 11.564 12.257 987 HD2 PRO 127 2HD PRO 127 9.989 10.228 12.564 988 HD3 PRO 127 1HD PRO 127 10.428 11.089 11.078 989 H ASP 128 H ASP 128 11.228 7.920 13.176 990 HA ASP 128 HA ASP 128 12.952 5.567 13.399 991 HB2 ASP 128 2HB ASP 128 13.275 7.231 15.243 992 HB3 ASP 128 1HB ASP 128 11.592 7.004 15.701 993 H VAL 129 H VAL 129 11.511 4.771 11.950 994 HA VAL 129 HA VAL 129 9.041 3.804 13.108 995 HB VAL 129 HB VAL 129 8.566 4.866 11.046 996 HG11 VAL 129 1HG1 VAL 129 10.833 3.327 9.814 997 HG12 VAL 129 2HG1 VAL 129 10.765 5.055 10.182 998 HG13 VAL 129 3HG1 VAL 129 9.713 4.382 8.931 999 HG21 VAL 129 3HG2 VAL 129 7.767 3.053 9.567 1000 HG22 VAL 129 1HG2 VAL 129 7.384 2.751 11.264 1001 HG23 VAL 129 2HG2 VAL 129 8.722 1.899 10.496 1002 H GLU 130 H GLU 130 9.222 2.034 14.071 1003 HA GLU 130 HA GLU 130 11.337 0.205 13.421 1004 HB2 GLU 130 2HB GLU 130 9.270 0.112 15.617 1005 HB3 GLU 130 1HB GLU 130 10.687 -0.934 15.491 1006 HG2 GLU 130 2HG GLU 130 12.151 0.986 15.642 1007 HG3 GLU 130 1HG GLU 130 10.760 2.056 15.723 1008 H THR 131 H THR 131 11.123 -1.461 12.242 1009 HA THR 131 HA THR 131 8.785 -1.847 10.720 1010 HB THR 131 HB THR 131 10.135 -3.689 9.736 1011 HG1 THR 131 1HG THR 131 11.257 -4.089 11.742 1012 HG21 THR 131 3HG2 THR 131 11.541 -1.038 10.085 1013 HG22 THR 131 1HG2 THR 131 10.304 -1.382 8.878 1014 HG23 THR 131 2HG2 THR 131 11.867 -2.202 8.800 1015 H HIS 132 H HIS 132 7.077 -3.008 11.331 1016 HA HIS 132 HA HIS 132 7.564 -5.589 12.508 1017 HB2 HIS 132 2HB HIS 132 6.985 -3.927 14.371 1018 HB3 HIS 132 1HB HIS 132 5.409 -3.760 13.604 1019 HD1 HIS 132 1HD HIS 132 3.678 -5.297 14.590 1020 HD2 HIS 132 2HD HIS 132 7.530 -6.796 14.931 1021 HE1 HIS 132 1HE HIS 132 3.483 -7.475 15.859 Start of MODEL 7 1 H1 MET 1 1HT MET 1 2.773 26.030 -19.029 2 H2 MET 1 2HT MET 1 1.225 26.480 -18.590 3 H3 MET 1 3HT MET 1 1.474 24.983 -19.320 4 HA MET 1 HA MET 1 1.114 24.735 -16.984 5 HB2 MET 1 2HB MET 1 3.987 24.256 -17.803 6 HB3 MET 1 1HB MET 1 3.268 23.632 -16.332 7 HG2 MET 1 2HG MET 1 1.664 22.356 -17.663 8 HG3 MET 1 1HG MET 1 2.410 22.971 -19.138 9 HE1 MET 1 2HE MET 1 1.954 19.871 -18.496 10 HE2 MET 1 3HE MET 1 3.478 19.205 -19.076 11 HE3 MET 1 1HE MET 1 2.674 20.483 -19.986 12 H GLY 2 H GLY 2 1.144 25.620 -15.102 13 HA2 GLY 2 2HA GLY 2 3.109 27.714 -14.508 14 HA3 GLY 2 1HA GLY 2 1.526 27.555 -13.742 15 H SER 3 H SER 3 2.138 24.513 -13.779 16 HA SER 3 HA SER 3 3.360 24.463 -11.189 17 HB2 SER 3 2HB SER 3 2.866 21.958 -11.518 18 HB3 SER 3 1HB SER 3 1.481 23.050 -11.436 19 HG SER 3 HG SER 3 2.678 21.958 -13.777 20 H GLN 4 H GLN 4 5.205 22.980 -10.758 21 HA GLN 4 HA GLN 4 6.896 22.543 -13.091 22 HB2 GLN 4 2HB GLN 4 7.745 23.905 -10.551 23 HB3 GLN 4 1HB GLN 4 8.862 23.260 -11.736 24 HG2 GLN 4 2HG GLN 4 7.940 24.783 -13.407 25 HG3 GLN 4 1HG GLN 4 6.874 25.459 -12.169 26 HE21 GLN 4 1HE2 GLN 4 8.973 26.719 -13.728 27 HE22 GLN 4 2HE2 GLN 4 10.084 27.364 -12.587 28 H LYS 5 H LYS 5 7.023 20.436 -13.119 29 HA LYS 5 HA LYS 5 8.373 19.263 -10.892 30 HB2 LYS 5 2HB LYS 5 7.063 17.165 -10.925 31 HB3 LYS 5 1HB LYS 5 6.089 18.528 -10.430 32 HG2 LYS 5 2HG LYS 5 6.038 17.407 -13.226 33 HG3 LYS 5 1HG LYS 5 5.002 16.806 -11.936 34 HD2 LYS 5 2HD LYS 5 4.086 19.092 -11.673 35 HD3 LYS 5 1HD LYS 5 5.070 19.611 -13.044 36 HE2 LYS 5 2HE LYS 5 2.782 19.139 -13.747 37 HE3 LYS 5 1HE LYS 5 3.906 17.994 -14.480 38 HZ1 LYS 5 3HZ LYS 5 1.898 16.935 -13.658 39 HZ2 LYS 5 1HZ LYS 5 2.205 17.447 -12.097 40 HZ3 LYS 5 2HZ LYS 5 3.231 16.337 -12.844 41 H ARG 6 H ARG 6 9.680 17.563 -11.411 42 HA ARG 6 HA ARG 6 10.726 17.814 -14.097 43 HB2 ARG 6 2HB ARG 6 11.720 16.477 -11.592 44 HB3 ARG 6 1HB ARG 6 12.578 16.422 -13.126 45 HG2 ARG 6 2HG ARG 6 12.952 18.760 -13.112 46 HG3 ARG 6 1HG ARG 6 11.820 19.000 -11.781 47 HD2 ARG 6 2HD ARG 6 14.233 19.096 -11.138 48 HD3 ARG 6 1HD ARG 6 13.275 17.913 -10.249 49 HE ARG 6 HE ARG 6 14.522 16.795 -12.541 50 HH11 ARG 6 1HH1 ARG 6 15.213 17.811 -9.234 51 HH12 ARG 6 2HH1 ARG 6 16.358 16.596 -8.923 52 HH21 ARG 6 1HH2 ARG 6 16.091 15.136 -12.169 53 HH22 ARG 6 2HH2 ARG 6 16.910 15.047 -10.675 54 H LEU 7 H LEU 7 8.357 16.120 -13.003 55 HA LEU 7 HA LEU 7 8.894 13.914 -14.767 56 HB2 LEU 7 2HB LEU 7 7.622 12.427 -13.075 57 HB3 LEU 7 1HB LEU 7 9.303 12.796 -12.780 58 HG LEU 7 HG LEU 7 8.213 14.749 -11.324 59 HD11 LEU 7 1HD1 LEU 7 6.127 12.604 -11.169 60 HD12 LEU 7 2HD1 LEU 7 5.922 14.237 -11.800 61 HD13 LEU 7 3HD1 LEU 7 6.273 13.991 -10.089 62 HD21 LEU 7 3HD2 LEU 7 8.571 11.906 -10.425 63 HD22 LEU 7 1HD2 LEU 7 8.481 13.304 -9.355 64 HD23 LEU 7 2HD2 LEU 7 9.813 13.158 -10.497 65 H VAL 8 H VAL 8 7.701 14.551 -16.365 66 HA VAL 8 HA VAL 8 4.996 15.468 -15.873 67 HB VAL 8 HB VAL 8 6.499 15.230 -18.506 68 HG11 VAL 8 1HG1 VAL 8 4.720 16.656 -19.428 69 HG12 VAL 8 2HG1 VAL 8 3.891 16.627 -17.873 70 HG13 VAL 8 3HG1 VAL 8 4.061 15.142 -18.806 71 HG21 VAL 8 3HG2 VAL 8 5.954 17.648 -16.783 72 HG22 VAL 8 1HG2 VAL 8 6.709 17.674 -18.376 73 HG23 VAL 8 2HG2 VAL 8 7.519 16.878 -17.028 74 H GLN 9 H GLN 9 3.595 13.968 -15.537 75 HA GLN 9 HA GLN 9 3.767 11.473 -17.070 76 HB2 GLN 9 2HB GLN 9 2.330 12.026 -14.479 77 HB3 GLN 9 1HB GLN 9 2.396 10.482 -15.306 78 HG2 GLN 9 2HG GLN 9 4.840 10.449 -14.954 79 HG3 GLN 9 1HG GLN 9 4.693 11.947 -14.036 80 HE21 GLN 9 1HE2 GLN 9 5.404 11.018 -12.138 81 HE22 GLN 9 2HE2 GLN 9 4.439 9.916 -11.241 82 H ARG 10 H ARG 10 1.580 10.503 -17.454 83 HA ARG 10 HA ARG 10 -0.461 12.534 -17.886 84 HB2 ARG 10 2HB ARG 10 0.393 10.306 -19.723 85 HB3 ARG 10 1HB ARG 10 -1.184 11.069 -19.852 86 HG2 ARG 10 2HG ARG 10 -0.176 13.190 -20.322 87 HG3 ARG 10 1HG ARG 10 1.435 12.540 -20.026 88 HD2 ARG 10 2HD ARG 10 -0.436 11.537 -22.155 89 HD3 ARG 10 1HD ARG 10 0.813 12.751 -22.427 90 HE ARG 10 HE ARG 10 2.165 10.705 -21.317 91 HH11 ARG 10 1HH1 ARG 10 -0.070 10.855 -24.055 92 HH12 ARG 10 2HH1 ARG 10 0.739 9.659 -24.957 93 HH21 ARG 10 1HH2 ARG 10 3.256 9.029 -22.569 94 HH22 ARG 10 2HH2 ARG 10 2.628 8.593 -24.100 95 H VAL 11 H VAL 11 -1.349 12.029 -15.965 96 HA VAL 11 HA VAL 11 -2.027 9.352 -15.332 97 HB VAL 11 HB VAL 11 -1.534 10.867 -13.503 98 HG11 VAL 11 1HG1 VAL 11 -2.996 12.728 -12.876 99 HG12 VAL 11 2HG1 VAL 11 -3.938 12.462 -14.340 100 HG13 VAL 11 3HG1 VAL 11 -2.258 12.977 -14.462 101 HG21 VAL 11 3HG2 VAL 11 -3.477 10.485 -12.072 102 HG22 VAL 11 1HG2 VAL 11 -3.049 9.062 -13.014 103 HG23 VAL 11 2HG2 VAL 11 -4.430 10.051 -13.494 104 H GLU 12 H GLU 12 -3.749 8.263 -15.808 105 HA GLU 12 HA GLU 12 -5.900 9.635 -17.247 106 HB2 GLU 12 2HB GLU 12 -4.293 8.355 -18.657 107 HB3 GLU 12 1HB GLU 12 -4.692 6.914 -17.749 108 HG2 GLU 12 2HG GLU 12 -6.966 6.995 -18.583 109 HG3 GLU 12 1HG GLU 12 -6.603 8.502 -19.431 110 H ARG 13 H ARG 13 -7.964 8.794 -16.874 111 HA ARG 13 HA ARG 13 -8.276 7.274 -14.412 112 HB2 ARG 13 2HB ARG 13 -10.239 8.670 -16.214 113 HB3 ARG 13 1HB ARG 13 -10.744 7.648 -14.882 114 HG2 ARG 13 2HG ARG 13 -9.038 10.102 -14.628 115 HG3 ARG 13 1HG ARG 13 -10.783 10.059 -14.373 116 HD2 ARG 13 2HD ARG 13 -10.364 8.312 -12.594 117 HD3 ARG 13 1HD ARG 13 -8.646 8.653 -12.771 118 HE ARG 13 HE ARG 13 -9.724 11.083 -12.396 119 HH11 ARG 13 1HH1 ARG 13 -9.774 8.086 -10.472 120 HH12 ARG 13 2HH1 ARG 13 -10.134 8.914 -9.013 121 HH21 ARG 13 1HH2 ARG 13 -10.247 12.126 -10.376 122 HH22 ARG 13 2HH2 ARG 13 -10.399 11.181 -8.957 123 H LYS 14 H LYS 14 -8.141 5.117 -14.633 124 HA LYS 14 HA LYS 14 -9.253 3.942 -16.993 125 HB2 LYS 14 2HB LYS 14 -7.195 2.946 -16.130 126 HB3 LYS 14 1HB LYS 14 -7.936 2.692 -14.567 127 HG2 LYS 14 2HG LYS 14 -7.817 0.561 -15.597 128 HG3 LYS 14 1HG LYS 14 -9.501 1.049 -15.699 129 HD2 LYS 14 2HD LYS 14 -7.568 1.441 -17.984 130 HD3 LYS 14 1HD LYS 14 -8.429 -0.068 -17.755 131 HE2 LYS 14 2HE LYS 14 -9.672 2.656 -18.238 132 HE3 LYS 14 1HE LYS 14 -9.509 1.374 -19.409 133 HZ1 LYS 14 3HZ LYS 14 -11.193 1.244 -16.950 134 HZ2 LYS 14 1HZ LYS 14 -10.989 -0.002 -18.079 135 HZ3 LYS 14 2HZ LYS 14 -11.714 1.436 -18.524 136 H LEU 15 H LEU 15 -11.382 4.485 -16.797 137 HA LEU 15 HA LEU 15 -12.859 3.881 -14.405 138 HB2 LEU 15 2HB LEU 15 -13.809 4.734 -17.145 139 HB3 LEU 15 1HB LEU 15 -14.796 4.662 -15.703 140 HG LEU 15 HG LEU 15 -12.488 6.546 -16.183 141 HD11 LEU 15 1HD1 LEU 15 -14.210 8.274 -16.186 142 HD12 LEU 15 2HD1 LEU 15 -15.457 7.036 -16.033 143 HD13 LEU 15 3HD1 LEU 15 -14.457 7.106 -17.485 144 HD21 LEU 15 3HD2 LEU 15 -14.350 6.298 -13.815 145 HD22 LEU 15 1HD2 LEU 15 -13.194 7.605 -14.080 146 HD23 LEU 15 2HD2 LEU 15 -12.616 5.961 -13.833 147 H GLU 16 H GLU 16 -13.409 1.860 -13.994 148 HA GLU 16 HA GLU 16 -14.102 0.210 -16.281 149 HB2 GLU 16 2HB GLU 16 -11.826 -0.329 -15.301 150 HB3 GLU 16 1HB GLU 16 -12.657 -0.794 -13.823 151 HG2 GLU 16 2HG GLU 16 -12.101 -2.707 -15.281 152 HG3 GLU 16 1HG GLU 16 -13.834 -2.547 -14.969 153 H GLN 17 H GLN 17 -15.758 -1.247 -15.892 154 HA GLN 17 HA GLN 17 -17.187 -0.852 -13.389 155 HB2 GLN 17 2HB GLN 17 -18.352 -0.523 -16.154 156 HB3 GLN 17 1HB GLN 17 -19.319 -0.699 -14.701 157 HG2 GLN 17 2HG GLN 17 -18.477 1.352 -13.809 158 HG3 GLN 17 1HG GLN 17 -17.309 1.496 -15.119 159 HE21 GLN 17 1HE2 GLN 17 -17.988 2.152 -17.109 160 HE22 GLN 17 2HE2 GLN 17 -19.536 2.848 -17.391 161 H THR 18 H THR 18 -18.449 -2.518 -12.771 162 HA THR 18 HA THR 18 -18.787 -4.799 -14.438 163 HB THR 18 HB THR 18 -16.596 -5.228 -13.283 164 HG1 THR 18 1HG THR 18 -17.827 -6.966 -13.754 165 HG21 THR 18 3HG2 THR 18 -16.975 -3.942 -11.221 166 HG22 THR 18 1HG2 THR 18 -16.553 -5.613 -10.845 167 HG23 THR 18 2HG2 THR 18 -18.230 -5.082 -10.740 168 H VAL 19 H VAL 19 -20.585 -5.975 -13.701 169 HA VAL 19 HA VAL 19 -22.231 -4.430 -11.854 170 HB VAL 19 HB VAL 19 -23.119 -6.451 -13.937 171 HG11 VAL 19 1HG1 VAL 19 -24.663 -6.337 -12.048 172 HG12 VAL 19 2HG1 VAL 19 -25.382 -5.621 -13.490 173 HG13 VAL 19 3HG1 VAL 19 -24.755 -4.582 -12.211 174 HG21 VAL 19 3HG2 VAL 19 -22.222 -4.432 -14.970 175 HG22 VAL 19 1HG2 VAL 19 -23.263 -3.434 -13.959 176 HG23 VAL 19 2HG2 VAL 19 -23.973 -4.497 -15.171 177 H GLY 20 H GLY 20 -21.808 -5.189 -9.921 178 HA2 GLY 20 2HA GLY 20 -22.769 -6.740 -8.347 179 HA3 GLY 20 1HA GLY 20 -22.392 -8.032 -9.480 180 H ASP 21 H ASP 21 -20.818 -5.431 -7.664 181 HA ASP 21 HA ASP 21 -18.951 -7.282 -6.561 182 HB2 ASP 21 2HB ASP 21 -17.709 -6.594 -8.552 183 HB3 ASP 21 1HB ASP 21 -18.033 -4.899 -8.195 184 H ALA 22 H ALA 22 -18.568 -6.727 -4.612 185 HA ALA 22 HA ALA 22 -20.126 -4.866 -3.255 186 HB1 ALA 22 1HB ALA 22 -17.590 -6.146 -2.283 187 HB2 ALA 22 2HB ALA 22 -19.188 -6.889 -2.242 188 HB3 ALA 22 3HB ALA 22 -18.863 -5.443 -1.287 189 H PHE 23 H PHE 23 -16.784 -4.567 -4.276 190 HA PHE 23 HA PHE 23 -16.500 -2.084 -2.886 191 HB2 PHE 23 2HB PHE 23 -14.832 -3.728 -4.646 192 HB3 PHE 23 1HB PHE 23 -14.274 -2.082 -4.256 193 HD1 PHE 23 1HD PHE 23 -14.274 -1.553 -1.693 194 HD2 PHE 23 2HD PHE 23 -14.231 -5.492 -3.300 195 HE1 PHE 23 1HE PHE 23 -13.384 -2.395 0.428 196 HE2 PHE 23 2HE PHE 23 -13.331 -6.348 -1.179 197 HZ PHE 23 HZ PHE 23 -12.905 -4.795 0.693 198 H ALA 24 H ALA 24 -17.070 -3.138 -6.147 199 HA ALA 24 HA ALA 24 -16.947 -0.657 -7.425 200 HB1 ALA 24 1HB ALA 24 -18.890 -2.892 -8.013 201 HB2 ALA 24 2HB ALA 24 -17.243 -2.797 -8.628 202 HB3 ALA 24 3HB ALA 24 -18.438 -1.593 -9.117 203 H ARG 25 H ARG 25 -19.481 -2.112 -5.473 204 HA ARG 25 HA ARG 25 -21.479 -0.172 -5.906 205 HB2 ARG 25 2HB ARG 25 -20.994 -1.859 -3.439 206 HB3 ARG 25 1HB ARG 25 -22.458 -0.965 -3.795 207 HG2 ARG 25 2HG ARG 25 -21.392 -3.321 -5.337 208 HG3 ARG 25 1HG ARG 25 -22.744 -3.344 -4.211 209 HD2 ARG 25 2HD ARG 25 -22.596 -1.883 -6.847 210 HD3 ARG 25 1HD ARG 25 -23.557 -3.312 -6.485 211 HE ARG 25 HE ARG 25 -24.058 -0.886 -4.949 212 HH11 ARG 25 1HH1 ARG 25 -25.250 -3.227 -7.320 213 HH12 ARG 25 2HH1 ARG 25 -26.733 -2.433 -7.562 214 HH21 ARG 25 1HH2 ARG 25 -26.073 0.176 -5.247 215 HH22 ARG 25 2HH2 ARG 25 -27.238 -0.451 -6.325 216 H ILE 26 H ILE 26 -18.885 -0.472 -3.543 217 HA ILE 26 HA ILE 26 -19.473 1.758 -1.936 218 HB ILE 26 HB ILE 26 -16.749 0.549 -2.524 219 HG12 ILE 26 2HG1 ILE 26 -18.300 -1.124 -1.634 220 HG13 ILE 26 1HG1 ILE 26 -17.064 -0.738 -0.447 221 HG21 ILE 26 1HG2 ILE 26 -16.504 2.748 -1.530 222 HG22 ILE 26 2HG2 ILE 26 -16.029 1.503 -0.374 223 HG23 ILE 26 3HG2 ILE 26 -17.594 2.301 -0.218 224 HD11 ILE 26 3HD1 ILE 26 -19.224 -0.979 0.604 225 HD12 ILE 26 1HD1 ILE 26 -19.909 0.258 -0.453 226 HD13 ILE 26 2HD1 ILE 26 -18.671 0.689 0.729 227 H PHE 27 H PHE 27 -17.546 1.493 -4.885 228 HA PHE 27 HA PHE 27 -16.787 4.261 -4.827 229 HB2 PHE 27 2HB PHE 27 -16.529 2.212 -7.029 230 HB3 PHE 27 1HB PHE 27 -15.951 3.862 -7.173 231 HD1 PHE 27 2HD PHE 27 -14.263 4.629 -5.346 232 HD2 PHE 27 1HD PHE 27 -15.113 0.562 -6.241 233 HE1 PHE 27 2HE PHE 27 -12.122 3.972 -4.345 234 HE2 PHE 27 1HE PHE 27 -12.969 -0.112 -5.243 235 HZ PHE 27 HZ PHE 27 -11.465 1.595 -4.293 236 H GLY 28 H GLY 28 -19.563 2.599 -5.884 237 HA2 GLY 28 2HA GLY 28 -21.549 3.898 -6.263 238 HA3 GLY 28 1HA GLY 28 -20.549 5.135 -7.010 239 H GLY 29 H GLY 29 -20.490 1.667 -7.641 240 HA2 GLY 29 2HA GLY 29 -21.384 0.498 -9.454 241 HA3 GLY 29 1HA GLY 29 -21.947 2.020 -10.131 242 H SER 30 H SER 30 -18.716 1.749 -9.036 243 HA SER 30 HA SER 30 -17.685 1.368 -11.725 244 HB2 SER 30 2HB SER 30 -18.051 3.826 -11.369 245 HB3 SER 30 1HB SER 30 -17.054 3.736 -9.926 246 HG SER 30 HG SER 30 -15.432 4.015 -11.143 247 H ILE 31 H ILE 31 -15.532 0.536 -11.607 248 HA ILE 31 HA ILE 31 -14.569 0.129 -8.909 249 HB ILE 31 HB ILE 31 -15.482 -2.020 -9.540 250 HG12 ILE 31 2HG1 ILE 31 -13.447 -3.488 -9.446 251 HG13 ILE 31 1HG1 ILE 31 -12.466 -2.050 -9.689 252 HG21 ILE 31 1HG2 ILE 31 -15.568 -1.855 -11.924 253 HG22 ILE 31 2HG2 ILE 31 -14.731 -3.336 -11.458 254 HG23 ILE 31 3HG2 ILE 31 -13.812 -1.944 -12.028 255 HD11 ILE 31 3HD1 ILE 31 -12.564 -2.705 -7.341 256 HD12 ILE 31 1HD1 ILE 31 -14.317 -2.538 -7.360 257 HD13 ILE 31 2HD1 ILE 31 -13.294 -1.119 -7.588 258 H VAL 32 H VAL 32 -13.238 1.756 -9.012 259 HA VAL 32 HA VAL 32 -11.017 1.515 -10.901 260 HB VAL 32 HB VAL 32 -12.145 4.101 -9.771 261 HG11 VAL 32 1HG1 VAL 32 -9.749 4.232 -10.139 262 HG12 VAL 32 2HG1 VAL 32 -10.609 5.219 -11.324 263 HG13 VAL 32 3HG1 VAL 32 -9.948 3.653 -11.790 264 HG21 VAL 32 3HG2 VAL 32 -12.853 4.593 -12.069 265 HG22 VAL 32 1HG2 VAL 32 -13.639 3.144 -11.443 266 HG23 VAL 32 2HG2 VAL 32 -12.296 2.991 -12.570 267 HA PRO 33 HA PRO 33 -9.081 0.971 -6.779 268 HB2 PRO 33 2HB PRO 33 -6.831 0.154 -8.537 269 HB3 PRO 33 1HB PRO 33 -7.552 -0.715 -7.180 270 HG2 PRO 33 2HG PRO 33 -7.958 -1.527 -9.688 271 HG3 PRO 33 1HG PRO 33 -9.254 -1.606 -8.484 272 HD2 PRO 33 2HD PRO 33 -8.828 0.397 -10.671 273 HD3 PRO 33 1HD PRO 33 -10.335 -0.372 -10.120 274 H GLN 34 H GLN 34 -8.130 2.530 -9.678 275 HA GLN 34 HA GLN 34 -5.856 3.920 -8.787 276 HB2 GLN 34 2HB GLN 34 -7.747 4.668 -11.007 277 HB3 GLN 34 1HB GLN 34 -6.160 5.361 -10.734 278 HG2 GLN 34 2HG GLN 34 -5.163 3.152 -11.105 279 HG3 GLN 34 1HG GLN 34 -6.771 2.512 -11.455 280 HE21 GLN 34 1HE2 GLN 34 -4.407 2.707 -13.126 281 HE22 GLN 34 2HE2 GLN 34 -4.882 3.562 -14.535 282 H GLU 35 H GLU 35 -9.161 4.397 -8.077 283 HA GLU 35 HA GLU 35 -9.183 7.211 -7.786 284 HB2 GLU 35 2HB GLU 35 -11.227 5.762 -7.791 285 HB3 GLU 35 1HB GLU 35 -10.759 5.169 -6.204 286 HG2 GLU 35 2HG GLU 35 -12.438 6.863 -5.950 287 HG3 GLU 35 1HG GLU 35 -10.899 7.474 -5.339 288 H VAL 36 H VAL 36 -8.455 4.549 -5.603 289 HA VAL 36 HA VAL 36 -7.849 6.249 -3.408 290 HB VAL 36 HB VAL 36 -7.085 3.330 -3.813 291 HG11 VAL 36 1HG1 VAL 36 -7.215 5.010 -1.306 292 HG12 VAL 36 2HG1 VAL 36 -5.764 4.335 -2.062 293 HG13 VAL 36 3HG1 VAL 36 -6.966 3.267 -1.349 294 HG21 VAL 36 3HG2 VAL 36 -9.513 3.622 -3.936 295 HG22 VAL 36 1HG2 VAL 36 -9.478 4.514 -2.411 296 HG23 VAL 36 2HG2 VAL 36 -9.049 2.810 -2.435 297 H GLU 37 H GLU 37 -6.017 4.630 -5.952 298 HA GLU 37 HA GLU 37 -3.422 5.238 -5.094 299 HB2 GLU 37 2HB GLU 37 -4.433 5.131 -7.927 300 HB3 GLU 37 1HB GLU 37 -2.751 5.147 -7.458 301 HG2 GLU 37 2HG GLU 37 -3.124 3.004 -6.274 302 HG3 GLU 37 1HG GLU 37 -4.759 2.975 -6.949 303 H ALA 38 H ALA 38 -5.692 7.091 -7.044 304 HA ALA 38 HA ALA 38 -4.102 9.265 -7.709 305 HB1 ALA 38 1HB ALA 38 -6.303 8.848 -8.698 306 HB2 ALA 38 2HB ALA 38 -6.203 10.481 -8.037 307 HB3 ALA 38 3HB ALA 38 -7.070 9.224 -7.156 308 H LEU 39 H LEU 39 -6.172 8.748 -4.903 309 HA LEU 39 HA LEU 39 -5.690 11.261 -3.722 310 HB2 LEU 39 2HB LEU 39 -7.578 9.563 -3.273 311 HB3 LEU 39 1HB LEU 39 -6.434 8.722 -2.259 312 HG LEU 39 HG LEU 39 -8.034 10.071 -0.968 313 HD11 LEU 39 1HD1 LEU 39 -5.240 11.142 -0.733 314 HD12 LEU 39 2HD1 LEU 39 -5.873 9.673 0.008 315 HD13 LEU 39 3HD1 LEU 39 -6.507 11.246 0.496 316 HD21 LEU 39 3HD2 LEU 39 -7.962 12.510 -1.016 317 HD22 LEU 39 1HD2 LEU 39 -8.438 11.845 -2.578 318 HD23 LEU 39 2HD2 LEU 39 -6.801 12.457 -2.338 319 H LEU 40 H LEU 40 -4.210 8.061 -3.232 320 HA LEU 40 HA LEU 40 -2.422 8.928 -1.235 321 HB2 LEU 40 2HB LEU 40 -2.558 6.462 -2.902 322 HB3 LEU 40 1HB LEU 40 -1.079 6.808 -2.038 323 HG LEU 40 HG LEU 40 -2.473 5.237 -0.801 324 HD11 LEU 40 1HD1 LEU 40 -2.525 6.363 1.350 325 HD12 LEU 40 2HD1 LEU 40 -2.318 7.915 0.550 326 HD13 LEU 40 3HD1 LEU 40 -1.041 6.702 0.464 327 HD21 LEU 40 3HD2 LEU 40 -4.664 5.957 -1.587 328 HD22 LEU 40 1HD2 LEU 40 -4.520 7.447 -0.659 329 HD23 LEU 40 2HD2 LEU 40 -4.608 5.893 0.175 330 H ARG 41 H ARG 41 -1.996 8.742 -4.732 331 HA ARG 41 HA ARG 41 0.775 9.442 -4.561 332 HB2 ARG 41 2HB ARG 41 0.756 9.750 -6.977 333 HB3 ARG 41 1HB ARG 41 -0.138 8.294 -6.581 334 HG2 ARG 41 2HG ARG 41 -2.229 9.467 -6.892 335 HG3 ARG 41 1HG ARG 41 -1.366 10.967 -7.208 336 HD2 ARG 41 2HD ARG 41 -2.063 10.002 -9.305 337 HD3 ARG 41 1HD ARG 41 -0.317 9.901 -9.172 338 HE ARG 41 HE ARG 41 -0.591 7.548 -8.617 339 HH11 ARG 41 1HH1 ARG 41 -3.437 9.115 -10.059 340 HH12 ARG 41 2HH1 ARG 41 -3.930 7.723 -10.908 341 HH21 ARG 41 1HH2 ARG 41 -1.320 5.618 -9.793 342 HH22 ARG 41 2HH2 ARG 41 -2.713 5.704 -10.737 343 H ARG 42 H ARG 42 -2.198 11.216 -4.705 344 HA ARG 42 HA ARG 42 -1.234 13.784 -5.319 345 HB2 ARG 42 2HB ARG 42 -3.635 13.099 -5.237 346 HB3 ARG 42 1HB ARG 42 -3.515 12.986 -3.495 347 HG2 ARG 42 2HG ARG 42 -3.023 15.406 -3.410 348 HG3 ARG 42 1HG ARG 42 -3.270 15.484 -5.158 349 HD2 ARG 42 2HD ARG 42 -5.542 14.539 -4.823 350 HD3 ARG 42 1HD ARG 42 -5.293 14.649 -3.084 351 HE ARG 42 HE ARG 42 -5.101 17.020 -4.783 352 HH11 ARG 42 1HH1 ARG 42 -6.620 15.375 -2.025 353 HH12 ARG 42 2HH1 ARG 42 -7.687 16.649 -1.675 354 HH21 ARG 42 1HH2 ARG 42 -6.554 18.799 -4.244 355 HH22 ARG 42 2HH2 ARG 42 -7.624 18.642 -2.938 356 H GLU 43 H GLU 43 -1.676 12.010 -2.320 357 HA GLU 43 HA GLU 43 -0.712 13.999 -0.567 358 HB2 GLU 43 2HB GLU 43 -2.127 12.187 0.220 359 HB3 GLU 43 1HB GLU 43 -0.926 11.000 -0.266 360 HG2 GLU 43 2HG GLU 43 -0.801 11.245 2.089 361 HG3 GLU 43 1HG GLU 43 0.631 11.993 1.385 362 H ALA 44 H ALA 44 0.795 11.068 -1.962 363 HA ALA 44 HA ALA 44 3.313 11.263 -0.884 364 HB1 ALA 44 1HB ALA 44 4.096 9.963 -2.773 365 HB2 ALA 44 2HB ALA 44 2.647 10.393 -3.686 366 HB3 ALA 44 3HB ALA 44 2.513 9.384 -2.241 367 H ALA 45 H ALA 45 2.141 12.827 -3.847 368 HA ALA 45 HA ALA 45 4.664 14.053 -4.409 369 HB1 ALA 45 1HB ALA 45 1.953 14.671 -5.575 370 HB2 ALA 45 2HB ALA 45 3.080 13.461 -6.185 371 HB3 ALA 45 3HB ALA 45 3.512 15.172 -6.230 372 H ASP 46 H ASP 46 1.945 14.930 -2.500 373 HA ASP 46 HA ASP 46 2.597 17.756 -2.515 374 HB2 ASP 46 2HB ASP 46 0.242 17.093 -2.310 375 HB3 ASP 46 1HB ASP 46 0.610 16.226 -0.826 376 H GLY 47 H GLY 47 3.061 14.973 -0.491 377 HA2 GLY 47 2HA GLY 47 4.130 16.518 1.702 378 HA3 GLY 47 1HA GLY 47 3.977 14.772 1.611 379 H ILE 48 H ILE 48 5.491 16.339 -1.026 380 HA ILE 48 HA ILE 48 7.958 15.030 -0.561 381 HB ILE 48 HB ILE 48 7.034 17.062 -2.596 382 HG12 ILE 48 2HG1 ILE 48 6.076 14.872 -2.867 383 HG13 ILE 48 1HG1 ILE 48 7.232 15.169 -4.162 384 HG21 ILE 48 1HG2 ILE 48 9.096 16.688 -3.837 385 HG22 ILE 48 2HG2 ILE 48 9.709 15.710 -2.493 386 HG23 ILE 48 3HG2 ILE 48 9.392 17.431 -2.259 387 HD11 ILE 48 3HD1 ILE 48 7.640 13.443 -1.729 388 HD12 ILE 48 1HD1 ILE 48 8.893 13.831 -2.914 389 HD13 ILE 48 2HD1 ILE 48 7.466 12.931 -3.403 390 H GLN 49 H GLN 49 9.747 15.751 0.365 391 HA GLN 49 HA GLN 49 9.733 18.515 1.273 392 HB2 GLN 49 2HB GLN 49 10.940 16.046 2.491 393 HB3 GLN 49 1HB GLN 49 11.446 17.663 2.978 394 HG2 GLN 49 2HG GLN 49 9.238 18.161 3.619 395 HG3 GLN 49 1HG GLN 49 8.656 16.581 3.090 396 HE21 GLN 49 1HE2 GLN 49 7.965 15.926 5.098 397 HE22 GLN 49 2HE2 GLN 49 9.016 15.592 6.422 398 H SER 50 H SER 50 11.293 19.733 0.760 399 HA SER 50 HA SER 50 12.909 18.885 -1.453 400 HB2 SER 50 2HB SER 50 11.878 21.112 -1.486 401 HB3 SER 50 1HB SER 50 12.749 21.568 -0.032 402 HG SER 50 HG SER 50 13.909 22.381 -1.612 403 H LEU 51 H LEU 51 14.710 18.056 -1.366 404 HA LEU 51 HA LEU 51 16.581 18.436 0.808 405 HB2 LEU 51 2HB LEU 51 14.908 16.389 1.047 406 HB3 LEU 51 1HB LEU 51 15.871 15.687 -0.231 407 HG LEU 51 HG LEU 51 17.874 15.859 1.266 408 HD11 LEU 51 1HD1 LEU 51 17.504 16.248 3.644 409 HD12 LEU 51 2HD1 LEU 51 15.810 16.605 3.328 410 HD13 LEU 51 3HD1 LEU 51 17.067 17.678 2.703 411 HD21 LEU 51 3HD2 LEU 51 15.540 14.320 2.389 412 HD22 LEU 51 1HD2 LEU 51 17.243 13.999 2.694 413 HD23 LEU 51 2HD2 LEU 51 16.586 13.783 1.074 414 H GLN 52 H GLN 52 18.412 16.544 -0.271 415 HA GLN 52 HA GLN 52 19.708 17.713 -2.369 416 HB2 GLN 52 2HB GLN 52 19.476 14.760 -1.796 417 HB3 GLN 52 1HB GLN 52 20.672 15.477 -2.866 418 HG2 GLN 52 2HG GLN 52 21.620 16.727 -1.013 419 HG3 GLN 52 1HG GLN 52 20.379 16.085 0.057 420 HE21 GLN 52 1HE2 GLN 52 23.275 15.885 0.186 421 HE22 GLN 52 2HE2 GLN 52 23.638 14.196 0.215 422 H GLY 53 H GLY 53 19.586 17.843 -4.525 423 HA2 GLY 53 2HA GLY 53 17.042 17.770 -5.676 424 HA3 GLY 53 1HA GLY 53 18.538 18.121 -6.511 425 H ASN 54 H ASN 54 19.414 15.317 -5.593 426 HA ASN 54 HA ASN 54 18.430 14.107 -7.965 427 HB2 ASN 54 2HB ASN 54 20.326 13.053 -5.882 428 HB3 ASN 54 1HB ASN 54 19.684 11.996 -7.124 429 HD21 ASN 54 1HD2 ASN 54 20.320 12.302 -9.253 430 HD22 ASN 54 2HD2 ASN 54 21.705 13.232 -9.676 431 H ARG 55 H ARG 55 17.622 13.954 -4.610 432 HA ARG 55 HA ARG 55 15.429 12.234 -5.192 433 HB2 ARG 55 2HB ARG 55 16.076 10.538 -3.459 434 HB3 ARG 55 1HB ARG 55 17.099 10.532 -4.890 435 HG2 ARG 55 2HG ARG 55 18.668 12.028 -3.583 436 HG3 ARG 55 1HG ARG 55 17.621 11.626 -2.208 437 HD2 ARG 55 2HD ARG 55 19.126 9.606 -3.909 438 HD3 ARG 55 1HD ARG 55 19.712 10.203 -2.367 439 HE ARG 55 HE ARG 55 17.590 9.195 -1.441 440 HH11 ARG 55 1HH1 ARG 55 19.187 7.854 -4.323 441 HH12 ARG 55 2HH1 ARG 55 18.737 6.253 -3.981 442 HH21 ARG 55 1HH2 ARG 55 16.988 6.873 -0.997 443 HH22 ARG 55 2HH2 ARG 55 17.497 5.721 -2.123 444 H LEU 56 H LEU 56 13.903 13.049 -4.271 445 HA LEU 56 HA LEU 56 14.026 15.019 -2.023 446 HB2 LEU 56 2HB LEU 56 11.767 14.242 -3.864 447 HB3 LEU 56 1HB LEU 56 11.799 15.578 -2.724 448 HG LEU 56 HG LEU 56 13.502 15.353 -5.210 449 HD11 LEU 56 1HD1 LEU 56 11.157 15.757 -5.707 450 HD12 LEU 56 2HD1 LEU 56 12.139 17.178 -6.064 451 HD13 LEU 56 3HD1 LEU 56 11.152 17.133 -4.605 452 HD21 LEU 56 3HD2 LEU 56 14.658 16.575 -3.446 453 HD22 LEU 56 1HD2 LEU 56 13.235 17.588 -3.199 454 HD23 LEU 56 2HD2 LEU 56 14.133 17.682 -4.713 455 H LEU 57 H LEU 57 12.702 14.839 -0.288 456 HA LEU 57 HA LEU 57 12.514 12.093 0.558 457 HB2 LEU 57 2HB LEU 57 13.561 13.831 1.956 458 HB3 LEU 57 1HB LEU 57 12.040 14.674 2.039 459 HG LEU 57 HG LEU 57 11.080 12.767 3.298 460 HD11 LEU 57 1HD1 LEU 57 13.906 11.735 3.229 461 HD12 LEU 57 2HD1 LEU 57 12.537 11.045 2.364 462 HD13 LEU 57 3HD1 LEU 57 12.560 11.031 4.134 463 HD21 LEU 57 3HD2 LEU 57 13.626 13.936 4.419 464 HD22 LEU 57 1HD2 LEU 57 12.349 13.179 5.369 465 HD23 LEU 57 2HD2 LEU 57 12.023 14.670 4.492 466 H ALA 58 H ALA 58 10.718 10.995 0.417 467 HA ALA 58 HA ALA 58 8.172 12.385 0.048 468 HB1 ALA 58 1HB ALA 58 8.873 11.065 -1.873 469 HB2 ALA 58 2HB ALA 58 7.475 10.309 -1.107 470 HB3 ALA 58 3HB ALA 58 9.090 9.648 -0.850 471 HA PRO 59 HA PRO 59 6.598 10.519 3.799 472 HB2 PRO 59 2HB PRO 59 4.196 9.698 2.267 473 HB3 PRO 59 1HB PRO 59 4.314 10.712 3.706 474 HG2 PRO 59 2HG PRO 59 3.765 11.797 1.343 475 HG3 PRO 59 1HG PRO 59 4.852 12.613 2.484 476 HD2 PRO 59 2HD PRO 59 5.530 11.006 0.052 477 HD3 PRO 59 1HD PRO 59 6.219 12.540 0.623 478 H ASN 60 H ASN 60 6.495 8.563 4.774 479 HA ASN 60 HA ASN 60 6.602 6.204 3.029 480 HB2 ASN 60 2HB ASN 60 8.074 5.107 4.643 481 HB3 ASN 60 1HB ASN 60 8.796 6.600 4.066 482 HD21 ASN 60 1HD2 ASN 60 9.301 5.088 6.474 483 HD22 ASN 60 2HD2 ASN 60 9.075 6.186 7.797 484 H GLU 61 H GLU 61 5.187 7.716 5.787 485 HA GLU 61 HA GLU 61 3.805 5.234 6.375 486 HB2 GLU 61 2HB GLU 61 4.952 6.190 8.295 487 HB3 GLU 61 1HB GLU 61 4.163 7.737 8.034 488 HG2 GLU 61 2HG GLU 61 2.057 6.863 8.667 489 HG3 GLU 61 1HG GLU 61 2.663 5.210 8.647 490 H TYR 62 H TYR 62 1.948 5.027 5.480 491 HA TYR 62 HA TYR 62 0.316 7.419 4.974 492 HB2 TYR 62 2HB TYR 62 0.499 4.873 3.351 493 HB3 TYR 62 1HB TYR 62 -0.660 6.157 3.060 494 HD1 TYR 62 2HD TYR 62 2.882 5.188 2.842 495 HD2 TYR 62 1HD TYR 62 0.014 8.205 1.980 496 HE1 TYR 62 2HE TYR 62 4.499 6.299 1.365 497 HE2 TYR 62 1HE TYR 62 1.620 9.325 0.499 498 HH TYR 62 HH TYR 62 4.646 7.858 -0.361 499 H ILE 63 H ILE 63 -1.320 7.434 6.289 500 HA ILE 63 HA ILE 63 -2.432 4.862 7.146 501 HB ILE 63 HB ILE 63 -2.770 7.549 8.530 502 HG12 ILE 63 2HG1 ILE 63 -0.977 5.225 9.306 503 HG13 ILE 63 1HG1 ILE 63 -0.412 6.731 8.601 504 HG21 ILE 63 1HG2 ILE 63 -3.434 4.722 9.393 505 HG22 ILE 63 2HG2 ILE 63 -4.601 5.963 8.936 506 HG23 ILE 63 3HG2 ILE 63 -3.620 6.162 10.392 507 HD11 ILE 63 3HD1 ILE 63 -0.063 6.682 11.006 508 HD12 ILE 63 1HD1 ILE 63 -1.789 6.431 11.262 509 HD13 ILE 63 2HD1 ILE 63 -1.215 7.944 10.568 510 H ILE 64 H ILE 64 -4.280 4.367 6.281 511 HA ILE 64 HA ILE 64 -5.915 6.485 5.123 512 HB ILE 64 HB ILE 64 -5.907 3.513 4.445 513 HG12 ILE 64 2HG1 ILE 64 -5.333 4.466 2.088 514 HG13 ILE 64 1HG1 ILE 64 -4.917 5.937 2.960 515 HG21 ILE 64 1HG2 ILE 64 -7.555 4.036 2.702 516 HG22 ILE 64 2HG2 ILE 64 -7.618 5.702 3.278 517 HG23 ILE 64 3HG2 ILE 64 -8.154 4.390 4.327 518 HD11 ILE 64 3HD1 ILE 64 -3.219 4.741 4.203 519 HD12 ILE 64 1HD1 ILE 64 -2.956 4.593 2.464 520 HD13 ILE 64 2HD1 ILE 64 -3.651 3.249 3.365 521 H THR 65 H THR 65 -7.771 6.879 5.947 522 HA THR 65 HA THR 65 -8.718 5.225 8.154 523 HB THR 65 HB THR 65 -9.293 8.127 7.533 524 HG1 THR 65 1HG THR 65 -7.126 6.884 8.553 525 HG21 THR 65 3HG2 THR 65 -10.023 8.195 9.875 526 HG22 THR 65 1HG2 THR 65 -9.643 6.482 10.054 527 HG23 THR 65 2HG2 THR 65 -10.939 6.989 8.977 528 H LEU 66 H LEU 66 -10.612 4.263 7.860 529 HA LEU 66 HA LEU 66 -12.506 5.251 5.835 530 HB2 LEU 66 2HB LEU 66 -11.644 2.470 6.485 531 HB3 LEU 66 1HB LEU 66 -13.342 2.707 6.164 532 HG LEU 66 HG LEU 66 -12.191 1.920 4.168 533 HD11 LEU 66 1HD1 LEU 66 -13.072 4.752 3.871 534 HD12 LEU 66 2HD1 LEU 66 -14.093 3.315 3.871 535 HD13 LEU 66 3HD1 LEU 66 -12.911 3.553 2.587 536 HD21 LEU 66 3HD2 LEU 66 -9.957 2.786 4.620 537 HD22 LEU 66 1HD2 LEU 66 -10.543 4.429 4.368 538 HD23 LEU 66 2HD2 LEU 66 -10.525 3.284 3.027 539 H GLY 67 H GLY 67 -14.764 4.876 6.389 540 HA2 GLY 67 2HA GLY 67 -15.396 5.449 9.095 541 HA3 GLY 67 1HA GLY 67 -16.548 4.996 7.835 542 H VAL 68 H VAL 68 -16.685 4.060 10.509 543 HA VAL 68 HA VAL 68 -15.376 1.626 10.907 544 HB VAL 68 HB VAL 68 -16.379 2.806 12.755 545 HG11 VAL 68 1HG1 VAL 68 -18.407 3.665 11.783 546 HG12 VAL 68 2HG1 VAL 68 -18.816 2.726 13.218 547 HG13 VAL 68 3HG1 VAL 68 -19.061 2.039 11.614 548 HG21 VAL 68 3HG2 VAL 68 -17.411 0.915 13.975 549 HG22 VAL 68 1HG2 VAL 68 -15.949 0.455 13.106 550 HG23 VAL 68 2HG2 VAL 68 -17.531 0.034 12.453 551 H HIS 69 H HIS 69 -18.444 2.231 9.340 552 HA HIS 69 HA HIS 69 -19.386 -0.379 8.987 553 HB2 HIS 69 2HB HIS 69 -20.773 1.506 8.388 554 HB3 HIS 69 1HB HIS 69 -19.597 2.047 7.198 555 HD1 HIS 69 1HD HIS 69 -19.861 1.119 4.800 556 HD2 HIS 69 2HD HIS 69 -22.196 -0.845 7.632 557 HE1 HIS 69 1HE HIS 69 -21.397 -0.389 3.518 558 H ASP 70 H ASP 70 -17.081 1.475 7.108 559 HA ASP 70 HA ASP 70 -17.008 -0.675 5.271 560 HB2 ASP 70 2HB ASP 70 -15.791 2.054 5.100 561 HB3 ASP 70 1HB ASP 70 -15.473 0.790 3.900 562 H PHE 71 H PHE 71 -15.172 0.402 7.904 563 HA PHE 71 HA PHE 71 -12.804 -0.952 7.254 564 HB2 PHE 71 2HB PHE 71 -13.065 0.806 9.021 565 HB3 PHE 71 1HB PHE 71 -13.946 -0.369 9.992 566 HD1 PHE 71 1HD PHE 71 -10.731 0.445 8.490 567 HD2 PHE 71 2HD PHE 71 -12.801 -2.021 11.226 568 HE1 PHE 71 1HE PHE 71 -8.564 -0.339 9.394 569 HE2 PHE 71 2HE PHE 71 -10.658 -2.829 12.149 570 HZ PHE 71 HZ PHE 71 -8.534 -1.984 11.229 571 H GLU 72 H GLU 72 -15.929 -1.934 8.485 572 HA GLU 72 HA GLU 72 -15.317 -4.419 9.547 573 HB2 GLU 72 2HB GLU 72 -17.776 -3.622 7.992 574 HB3 GLU 72 1HB GLU 72 -17.623 -5.037 9.025 575 HG2 GLU 72 2HG GLU 72 -17.256 -3.565 10.955 576 HG3 GLU 72 1HG GLU 72 -17.460 -2.163 9.904 577 H LYS 73 H LYS 73 -15.794 -3.449 6.181 578 HA LYS 73 HA LYS 73 -15.543 -6.151 5.204 579 HB2 LYS 73 2HB LYS 73 -15.544 -3.501 3.753 580 HB3 LYS 73 1HB LYS 73 -15.183 -4.994 2.934 581 HG2 LYS 73 2HG LYS 73 -17.462 -4.501 2.497 582 HG3 LYS 73 1HG LYS 73 -17.423 -5.859 3.608 583 HD2 LYS 73 2HD LYS 73 -19.164 -4.341 4.281 584 HD3 LYS 73 1HD LYS 73 -17.867 -4.287 5.473 585 HE2 LYS 73 2HE LYS 73 -18.584 -2.033 5.045 586 HE3 LYS 73 1HE LYS 73 -16.979 -2.295 4.354 587 HZ1 LYS 73 3HZ LYS 73 -19.538 -2.231 2.872 588 HZ2 LYS 73 1HZ LYS 73 -18.036 -2.511 2.158 589 HZ3 LYS 73 2HZ LYS 73 -18.372 -1.018 2.893 590 H LEU 74 H LEU 74 -13.462 -3.444 5.758 591 HA LEU 74 HA LEU 74 -11.192 -4.437 4.376 592 HB2 LEU 74 2HB LEU 74 -11.293 -2.604 6.775 593 HB3 LEU 74 1HB LEU 74 -9.864 -2.913 5.816 594 HG LEU 74 HG LEU 74 -12.367 -1.500 4.903 595 HD11 LEU 74 1HD1 LEU 74 -10.868 0.436 4.729 596 HD12 LEU 74 2HD1 LEU 74 -9.579 -0.525 5.455 597 HD13 LEU 74 3HD1 LEU 74 -11.032 -0.153 6.379 598 HD21 LEU 74 3HD2 LEU 74 -11.130 -1.050 2.826 599 HD22 LEU 74 1HD2 LEU 74 -11.391 -2.776 3.053 600 HD23 LEU 74 2HD2 LEU 74 -9.811 -2.074 3.393 601 H GLY 75 H GLY 75 -12.561 -5.054 7.475 602 HA2 GLY 75 2HA GLY 75 -10.415 -6.353 8.739 603 HA3 GLY 75 1HA GLY 75 -12.112 -6.567 9.121 604 H ALA 76 H ALA 76 -12.153 -7.409 6.031 605 HA ALA 76 HA ALA 76 -12.023 -10.217 6.548 606 HB1 ALA 76 1HB ALA 76 -13.590 -9.285 4.898 607 HB2 ALA 76 2HB ALA 76 -12.525 -10.484 4.162 608 HB3 ALA 76 3HB ALA 76 -12.229 -8.764 3.902 609 H ASP 77 H ASP 77 -9.878 -7.818 5.274 610 HA ASP 77 HA ASP 77 -7.640 -9.509 5.567 611 HB2 ASP 77 2HB ASP 77 -6.800 -9.457 3.230 612 HB3 ASP 77 1HB ASP 77 -8.314 -10.330 3.341 613 HA PRO 78 HA PRO 78 -7.371 -4.956 6.232 614 HB2 PRO 78 2HB PRO 78 -6.186 -5.066 8.695 615 HB3 PRO 78 1HB PRO 78 -7.932 -5.094 8.436 616 HG2 PRO 78 2HG PRO 78 -6.069 -7.345 9.017 617 HG3 PRO 78 1HG PRO 78 -7.732 -7.098 9.569 618 HD2 PRO 78 2HD PRO 78 -7.031 -8.803 7.553 619 HD3 PRO 78 1HD PRO 78 -8.619 -8.025 7.671 620 H GLU 79 H GLU 79 -4.770 -7.134 7.308 621 HA GLU 79 HA GLU 79 -2.801 -5.168 6.787 622 HB2 GLU 79 2HB GLU 79 -1.171 -6.950 7.326 623 HB3 GLU 79 1HB GLU 79 -2.388 -6.719 8.563 624 HG2 GLU 79 2HG GLU 79 -3.589 -8.705 7.569 625 HG3 GLU 79 1HG GLU 79 -2.150 -8.969 6.583 626 H LEU 80 H LEU 80 -4.292 -7.575 4.846 627 HA LEU 80 HA LEU 80 -2.245 -7.780 2.922 628 HB2 LEU 80 2HB LEU 80 -5.206 -8.283 2.732 629 HB3 LEU 80 1HB LEU 80 -4.125 -8.516 1.383 630 HG LEU 80 HG LEU 80 -2.889 -10.209 2.800 631 HD11 LEU 80 1HD1 LEU 80 -5.306 -9.972 4.565 632 HD12 LEU 80 2HD1 LEU 80 -3.637 -9.584 4.991 633 HD13 LEU 80 3HD1 LEU 80 -4.098 -11.249 4.637 634 HD21 LEU 80 3HD2 LEU 80 -4.370 -10.893 1.023 635 HD22 LEU 80 1HD2 LEU 80 -5.763 -10.787 2.097 636 HD23 LEU 80 2HD2 LEU 80 -4.513 -11.990 2.394 637 H LYS 81 H LYS 81 -5.100 -5.721 3.226 638 HA LYS 81 HA LYS 81 -4.689 -4.268 0.850 639 HB2 LYS 81 2HB LYS 81 -6.015 -3.407 3.430 640 HB3 LYS 81 1HB LYS 81 -6.019 -2.442 1.969 641 HG2 LYS 81 2HG LYS 81 -7.309 -5.141 2.356 642 HG3 LYS 81 1HG LYS 81 -8.125 -3.584 2.184 643 HD2 LYS 81 2HD LYS 81 -7.026 -3.407 -0.092 644 HD3 LYS 81 1HD LYS 81 -6.539 -5.086 0.106 645 HE2 LYS 81 2HE LYS 81 -9.351 -3.998 -0.043 646 HE3 LYS 81 1HE LYS 81 -8.524 -5.037 -1.199 647 HZ1 LYS 81 3HZ LYS 81 -9.592 -5.770 1.465 648 HZ2 LYS 81 1HZ LYS 81 -8.443 -6.735 0.695 649 HZ3 LYS 81 2HZ LYS 81 -9.903 -6.430 -0.030 650 H SER 82 H SER 82 -3.310 -3.973 4.029 651 HA SER 82 HA SER 82 -2.132 -1.415 3.695 652 HB2 SER 82 2HB SER 82 -1.277 -3.675 5.511 653 HB3 SER 82 1HB SER 82 -0.909 -1.961 5.717 654 HG SER 82 HG SER 82 -3.549 -2.410 5.378 655 H THR 83 H THR 83 -0.796 -4.731 3.376 656 HA THR 83 HA THR 83 1.751 -3.968 2.579 657 HB THR 83 HB THR 83 0.250 -6.493 1.835 658 HG1 THR 83 1HG THR 83 0.991 -7.268 3.814 659 HG21 THR 83 3HG2 THR 83 3.203 -5.940 2.195 660 HG22 THR 83 1HG2 THR 83 2.388 -6.175 0.648 661 HG23 THR 83 2HG2 THR 83 2.477 -7.500 1.807 662 H GLY 84 H GLY 84 -1.220 -4.454 0.720 663 HA2 GLY 84 2HA GLY 84 -0.171 -4.489 -1.875 664 HA3 GLY 84 1HA GLY 84 -1.780 -3.931 -1.440 665 H PHE 85 H PHE 85 -1.449 -1.710 -0.071 666 HA PHE 85 HA PHE 85 -0.578 0.095 -2.081 667 HB2 PHE 85 2HB PHE 85 -1.653 0.564 0.685 668 HB3 PHE 85 1HB PHE 85 -1.106 1.891 -0.336 669 HD1 PHE 85 2HD PHE 85 -2.254 2.315 -2.503 670 HD2 PHE 85 1HD PHE 85 -3.756 -0.462 0.352 671 HE1 PHE 85 2HE PHE 85 -4.451 2.376 -3.612 672 HE2 PHE 85 1HE PHE 85 -5.954 -0.411 -0.754 673 HZ PHE 85 HZ PHE 85 -6.303 1.008 -2.735 674 H ALA 86 H ALA 86 0.944 -1.163 0.780 675 HA ALA 86 HA ALA 86 2.975 0.800 0.950 676 HB1 ALA 86 1HB ALA 86 2.501 -0.796 2.781 677 HB2 ALA 86 2HB ALA 86 4.199 -0.776 2.335 678 HB3 ALA 86 3HB ALA 86 3.164 -2.105 1.797 679 H ARG 87 H ARG 87 2.759 -2.278 -0.726 680 HA ARG 87 HA ARG 87 5.282 -2.324 -1.925 681 HB2 ARG 87 2HB ARG 87 3.780 -4.276 -1.880 682 HB3 ARG 87 1HB ARG 87 2.616 -3.435 -2.871 683 HG2 ARG 87 2HG ARG 87 5.374 -4.106 -3.897 684 HG3 ARG 87 1HG ARG 87 4.058 -5.271 -3.952 685 HD2 ARG 87 2HD ARG 87 2.742 -3.692 -5.331 686 HD3 ARG 87 1HD ARG 87 4.072 -2.537 -5.256 687 HE ARG 87 HE ARG 87 5.043 -4.954 -6.241 688 HH11 ARG 87 1HH1 ARG 87 2.827 -2.364 -7.340 689 HH12 ARG 87 2HH1 ARG 87 3.163 -2.609 -8.975 690 HH21 ARG 87 1HH2 ARG 87 5.464 -5.276 -8.491 691 HH22 ARG 87 2HH2 ARG 87 4.703 -4.330 -9.671 692 H ASP 88 H ASP 88 2.217 -0.956 -3.035 693 HA ASP 88 HA ASP 88 3.355 -0.099 -5.463 694 HB2 ASP 88 2HB ASP 88 0.694 0.530 -4.239 695 HB3 ASP 88 1HB ASP 88 1.226 1.271 -5.747 696 H LEU 89 H LEU 89 2.628 1.712 -2.501 697 HA LEU 89 HA LEU 89 3.522 4.119 -3.632 698 HB2 LEU 89 2HB LEU 89 3.018 3.243 -0.854 699 HB3 LEU 89 1HB LEU 89 4.113 4.596 -1.037 700 HG LEU 89 HG LEU 89 1.882 5.393 -0.583 701 HD11 LEU 89 1HD1 LEU 89 3.262 6.759 -2.017 702 HD12 LEU 89 2HD1 LEU 89 1.560 6.912 -2.439 703 HD13 LEU 89 3HD1 LEU 89 2.625 5.947 -3.450 704 HD21 LEU 89 3HD2 LEU 89 0.532 3.555 -1.428 705 HD22 LEU 89 1HD2 LEU 89 1.028 3.944 -3.086 706 HD23 LEU 89 2HD2 LEU 89 0.051 5.085 -2.163 707 H ALA 90 H ALA 90 5.298 1.521 -2.155 708 HA ALA 90 HA ALA 90 7.803 2.830 -2.052 709 HB1 ALA 90 1HB ALA 90 8.768 0.578 -1.969 710 HB2 ALA 90 2HB ALA 90 7.210 -0.110 -2.429 711 HB3 ALA 90 3HB ALA 90 7.389 0.719 -0.878 712 H ASP 91 H ASP 91 6.121 1.047 -4.542 713 HA ASP 91 HA ASP 91 8.222 1.042 -6.454 714 HB2 ASP 91 2HB ASP 91 6.273 -0.506 -6.549 715 HB3 ASP 91 1HB ASP 91 5.235 0.864 -6.906 716 H TYR 92 H TYR 92 5.418 3.082 -5.921 717 HA TYR 92 HA TYR 92 5.736 4.883 -8.011 718 HB2 TYR 92 2HB TYR 92 4.375 5.041 -5.374 719 HB3 TYR 92 1HB TYR 92 4.608 6.522 -6.281 720 HD1 TYR 92 2HD TYR 92 3.134 3.122 -6.543 721 HD2 TYR 92 1HD TYR 92 3.178 7.090 -7.963 722 HE1 TYR 92 2HE TYR 92 1.077 2.648 -7.832 723 HE2 TYR 92 1HE TYR 92 1.119 6.669 -9.263 724 HH TYR 92 HH TYR 92 -0.747 3.754 -8.859 725 H ILE 93 H ILE 93 7.003 5.170 -4.670 726 HA ILE 93 HA ILE 93 8.125 7.669 -5.214 727 HB ILE 93 HB ILE 93 9.552 7.417 -3.192 728 HG12 ILE 93 2HG1 ILE 93 8.314 4.657 -2.981 729 HG13 ILE 93 1HG1 ILE 93 9.987 4.973 -3.408 730 HG21 ILE 93 1HG2 ILE 93 7.302 8.265 -2.962 731 HG22 ILE 93 2HG2 ILE 93 7.710 7.267 -1.568 732 HG23 ILE 93 3HG2 ILE 93 6.667 6.625 -2.837 733 HD11 ILE 93 3HD1 ILE 93 9.772 4.302 -1.083 734 HD12 ILE 93 1HD1 ILE 93 8.681 5.654 -0.783 735 HD13 ILE 93 2HD1 ILE 93 10.367 5.957 -1.207 736 H GLN 94 H GLN 94 9.469 4.438 -5.556 737 HA GLN 94 HA GLN 94 12.103 5.210 -6.213 738 HB2 GLN 94 2HB GLN 94 10.489 2.783 -6.935 739 HB3 GLN 94 1HB GLN 94 12.176 2.977 -7.381 740 HG2 GLN 94 2HG GLN 94 12.795 3.073 -5.021 741 HG3 GLN 94 1HG GLN 94 11.096 2.989 -4.559 742 HE21 GLN 94 1HE2 GLN 94 10.020 1.086 -4.781 743 HE22 GLN 94 2HE2 GLN 94 10.803 -0.443 -5.016 744 H GLU 95 H GLU 95 9.178 4.650 -8.220 745 HA GLU 95 HA GLU 95 10.156 4.874 -10.676 746 HB2 GLU 95 2HB GLU 95 7.812 4.314 -9.760 747 HB3 GLU 95 1HB GLU 95 7.599 6.041 -9.664 748 HG2 GLU 95 2HG GLU 95 8.045 6.268 -11.989 749 HG3 GLU 95 1HG GLU 95 8.258 4.504 -12.051 750 H GLN 96 H GLN 96 9.261 7.347 -8.339 751 HA GLN 96 HA GLN 96 9.542 9.523 -10.251 752 HB2 GLN 96 2HB GLN 96 9.052 9.700 -7.299 753 HB3 GLN 96 1HB GLN 96 8.755 10.944 -8.490 754 HG2 GLN 96 2HG GLN 96 7.252 8.380 -8.049 755 HG3 GLN 96 1HG GLN 96 6.665 10.030 -7.874 756 HE21 GLN 96 1HE2 GLN 96 5.748 7.737 -9.427 757 HE22 GLN 96 2HE2 GLN 96 5.645 8.232 -11.061 758 H GLY 97 H GLY 97 11.530 7.834 -8.161 759 HA2 GLY 97 2HA GLY 97 13.782 8.145 -7.720 760 HA3 GLY 97 1HA GLY 97 13.698 9.687 -8.575 761 H TRP 98 H TRP 98 11.611 8.715 -5.961 762 HA TRP 98 HA TRP 98 12.744 10.857 -4.329 763 HB2 TRP 98 2HB TRP 98 10.044 9.499 -4.130 764 HB3 TRP 98 1HB TRP 98 10.630 10.766 -3.064 765 HD1 TRP 98 HD TRP 98 11.834 12.547 -5.599 766 HE1 TRP 98 1HE TRP 98 10.147 13.906 -6.969 767 HE3 TRP 98 3HE TRP 98 7.566 10.054 -4.296 768 HZ2 TRP 98 2HZ TRP 98 7.350 13.944 -7.418 769 HZ3 TRP 98 3HZ TRP 98 5.420 10.820 -5.235 770 HH2 TRP 98 HH TRP 98 5.319 12.727 -6.757 771 H GLN 99 H GLN 99 12.806 10.403 -2.012 772 HA GLN 99 HA GLN 99 13.481 7.587 -1.511 773 HB2 GLN 99 2HB GLN 99 15.345 8.337 -0.152 774 HB3 GLN 99 1HB GLN 99 15.523 8.887 -1.812 775 HG2 GLN 99 2HG GLN 99 14.896 11.113 -1.212 776 HG3 GLN 99 1HG GLN 99 14.429 10.595 0.407 777 HE21 GLN 99 1HE2 GLN 99 16.427 12.558 -0.547 778 HE22 GLN 99 2HE2 GLN 99 17.887 12.082 0.231 779 H THR 100 H THR 100 13.654 7.222 0.908 780 HA THR 100 HA THR 100 12.490 9.108 2.637 781 HB THR 100 HB THR 100 10.444 8.066 1.502 782 HG1 THR 100 1HG THR 100 9.704 8.783 3.262 783 HG21 THR 100 3HG2 THR 100 11.288 5.623 3.094 784 HG22 THR 100 1HG2 THR 100 11.290 5.748 1.335 785 HG23 THR 100 2HG2 THR 100 9.766 5.805 2.216 786 H TYR 101 H TYR 101 12.565 8.243 4.879 787 HA TYR 101 HA TYR 101 14.784 6.324 5.028 788 HB2 TYR 101 2HB TYR 101 13.821 8.269 7.138 789 HB3 TYR 101 1HB TYR 101 15.208 7.209 7.283 790 HD1 TYR 101 1HD TYR 101 17.194 7.609 5.730 791 HD2 TYR 101 2HD TYR 101 14.016 10.402 6.191 792 HE1 TYR 101 1HE TYR 101 18.638 9.398 4.850 793 HE2 TYR 101 2HE TYR 101 15.449 12.186 5.312 794 HH TYR 101 HH TYR 101 18.444 11.566 3.798 795 H GLY 102 H GLY 102 14.304 4.370 5.685 796 HA2 GLY 102 2HA GLY 102 13.259 2.910 7.255 797 HA3 GLY 102 1HA GLY 102 11.880 4.011 7.279 798 H ASP 103 H ASP 103 10.491 2.330 6.689 799 HA ASP 103 HA ASP 103 10.651 1.682 3.837 800 HB2 ASP 103 2HB ASP 103 9.735 -0.052 6.129 801 HB3 ASP 103 1HB ASP 103 9.165 -0.329 4.491 802 H VAL 104 H VAL 104 8.509 1.316 2.882 803 HA VAL 104 HA VAL 104 6.739 3.424 3.735 804 HB VAL 104 HB VAL 104 6.497 1.475 1.408 805 HG11 VAL 104 1HG1 VAL 104 4.918 3.986 2.001 806 HG12 VAL 104 2HG1 VAL 104 4.312 2.335 2.120 807 HG13 VAL 104 3HG1 VAL 104 4.776 2.992 0.549 808 HG21 VAL 104 3HG2 VAL 104 8.409 2.975 1.199 809 HG22 VAL 104 1HG2 VAL 104 7.360 4.364 1.467 810 HG23 VAL 104 2HG2 VAL 104 7.161 3.378 0.018 811 H VAL 105 H VAL 105 5.159 3.123 5.055 812 HA VAL 105 HA VAL 105 4.111 0.436 5.416 813 HB VAL 105 HB VAL 105 3.744 0.948 7.829 814 HG11 VAL 105 1HG1 VAL 105 5.650 -0.388 7.174 815 HG12 VAL 105 2HG1 VAL 105 6.073 0.654 8.536 816 HG13 VAL 105 3HG1 VAL 105 6.605 1.071 6.908 817 HG21 VAL 105 3HG2 VAL 105 5.502 3.348 7.290 818 HG22 VAL 105 1HG2 VAL 105 5.001 2.784 8.884 819 HG23 VAL 105 2HG2 VAL 105 3.798 3.389 7.744 820 H VAL 106 H VAL 106 2.018 0.245 5.425 821 HA VAL 106 HA VAL 106 0.468 2.706 5.246 822 HB VAL 106 HB VAL 106 0.074 0.099 3.722 823 HG11 VAL 106 1HG1 VAL 106 -1.872 1.173 2.687 824 HG12 VAL 106 2HG1 VAL 106 -1.651 2.571 3.739 825 HG13 VAL 106 3HG1 VAL 106 -2.090 1.007 4.431 826 HG21 VAL 106 3HG2 VAL 106 0.634 2.904 2.770 827 HG22 VAL 106 1HG2 VAL 106 0.371 1.495 1.745 828 HG23 VAL 106 2HG2 VAL 106 1.784 1.572 2.798 829 H ARG 107 H ARG 107 -1.240 2.819 6.544 830 HA ARG 107 HA ARG 107 -1.966 0.376 8.003 831 HB2 ARG 107 2HB ARG 107 -0.487 2.120 9.266 832 HB3 ARG 107 1HB ARG 107 -1.975 3.061 9.328 833 HG2 ARG 107 2HG ARG 107 -2.075 1.937 11.331 834 HG3 ARG 107 1HG ARG 107 -2.999 0.862 10.285 835 HD2 ARG 107 2HD ARG 107 -0.189 0.518 11.318 836 HD3 ARG 107 1HD ARG 107 -1.574 -0.552 11.479 837 HE ARG 107 HE ARG 107 -0.507 -0.130 8.789 838 HH11 ARG 107 1HH1 ARG 107 -0.768 -2.355 11.547 839 HH12 ARG 107 2HH1 ARG 107 -0.090 -3.659 10.705 840 HH21 ARG 107 1HH2 ARG 107 0.424 -1.883 7.666 841 HH22 ARG 107 2HH2 ARG 107 0.597 -3.390 8.450 842 H PHE 108 H PHE 108 -4.130 0.168 8.374 843 HA PHE 108 HA PHE 108 -5.815 2.327 7.349 844 HB2 PHE 108 2HB PHE 108 -6.230 -0.666 7.327 845 HB3 PHE 108 1HB PHE 108 -7.562 0.459 7.121 846 HD1 PHE 108 2HD PHE 108 -4.271 -0.494 5.667 847 HD2 PHE 108 1HD PHE 108 -8.074 1.287 5.024 848 HE1 PHE 108 2HE PHE 108 -3.820 -0.385 3.242 849 HE2 PHE 108 1HE PHE 108 -7.625 1.393 2.610 850 HZ PHE 108 HZ PHE 108 -5.493 0.556 1.721 851 H GLU 109 H GLU 109 -7.345 3.110 8.672 852 HA GLU 109 HA GLU 109 -7.879 1.631 11.103 853 HB2 GLU 109 2HB GLU 109 -7.695 3.612 12.533 854 HB3 GLU 109 1HB GLU 109 -6.161 3.216 11.786 855 HG2 GLU 109 2HG GLU 109 -6.394 5.036 10.237 856 HG3 GLU 109 1HG GLU 109 -8.028 5.359 10.820 857 H GLN 110 H GLN 110 -9.733 2.422 12.247 858 HA GLN 110 HA GLN 110 -11.765 3.335 10.353 859 HB2 GLN 110 2HB GLN 110 -13.374 2.299 11.892 860 HB3 GLN 110 1HB GLN 110 -12.181 1.139 11.325 861 HG2 GLN 110 2HG GLN 110 -10.943 1.540 13.468 862 HG3 GLN 110 1HG GLN 110 -12.338 2.455 14.019 863 HE21 GLN 110 1HE2 GLN 110 -11.196 0.005 15.077 864 HE22 GLN 110 2HE2 GLN 110 -12.459 -1.164 15.052 865 H SER 111 H SER 111 -13.270 4.854 11.065 866 HA SER 111 HA SER 111 -12.680 6.273 13.523 867 HB2 SER 111 2HB SER 111 -11.367 7.434 11.818 868 HB3 SER 111 1HB SER 111 -12.781 7.543 10.775 869 HG SER 111 HG SER 111 -12.006 9.307 12.530 870 H SER 112 H SER 112 -14.515 6.797 14.516 871 HA SER 112 HA SER 112 -17.063 6.303 13.281 872 HB2 SER 112 2HB SER 112 -16.410 7.549 15.968 873 HB3 SER 112 1HB SER 112 -17.933 6.802 15.485 874 HG SER 112 HG SER 112 -16.462 5.488 16.773 875 H ASN 113 H ASN 113 -14.840 8.802 13.607 876 HA ASN 113 HA ASN 113 -16.584 11.075 13.459 877 HB2 ASN 113 2HB ASN 113 -14.326 11.221 14.459 878 HB3 ASN 113 1HB ASN 113 -13.618 10.795 12.909 879 HD21 ASN 113 1HD2 ASN 113 -12.465 12.652 12.689 880 HD22 ASN 113 2HD2 ASN 113 -13.177 14.202 12.428 881 H LEU 114 H LEU 114 -14.881 8.999 11.247 882 HA LEU 114 HA LEU 114 -15.442 10.680 8.950 883 HB2 LEU 114 2HB LEU 114 -13.346 9.226 9.297 884 HB3 LEU 114 1HB LEU 114 -14.376 7.861 8.923 885 HG LEU 114 HG LEU 114 -14.856 8.917 6.702 886 HD11 LEU 114 1HD1 LEU 114 -12.657 10.801 7.553 887 HD12 LEU 114 2HD1 LEU 114 -14.343 11.227 7.249 888 HD13 LEU 114 3HD1 LEU 114 -13.324 10.668 5.928 889 HD21 LEU 114 3HD2 LEU 114 -12.716 8.315 5.731 890 HD22 LEU 114 1HD2 LEU 114 -13.196 7.157 6.971 891 HD23 LEU 114 2HD2 LEU 114 -11.966 8.373 7.328 892 H HIS 115 H HIS 115 -16.675 9.752 7.082 893 HA HIS 115 HA HIS 115 -19.078 8.578 8.218 894 HB2 HIS 115 2HB HIS 115 -18.631 10.154 5.697 895 HB3 HIS 115 1HB HIS 115 -20.202 9.535 6.216 896 HD1 HIS 115 1HD HIS 115 -19.000 12.651 5.931 897 HD2 HIS 115 2HD HIS 115 -20.072 10.524 9.328 898 HE1 HIS 115 1HE HIS 115 -19.458 14.369 7.721 899 H THR 116 H THR 116 -20.386 7.192 6.826 900 HA THR 116 HA THR 116 -19.062 4.891 5.915 901 HB THR 116 HB THR 116 -21.883 5.844 5.391 902 HG1 THR 116 1HG THR 116 -22.375 4.811 7.312 903 HG21 THR 116 3HG2 THR 116 -21.252 3.902 4.023 904 HG22 THR 116 1HG2 THR 116 -22.423 3.443 5.259 905 HG23 THR 116 2HG2 THR 116 -20.717 3.050 5.471 906 H GLY 117 H GLY 117 -18.423 4.250 3.844 907 HA2 GLY 117 2HA GLY 117 -17.943 4.365 1.632 908 HA3 GLY 117 1HA GLY 117 -19.394 5.337 1.439 909 H GLN 118 H GLN 118 -16.678 6.170 3.473 910 HA GLN 118 HA GLN 118 -15.809 8.204 1.618 911 HB2 GLN 118 2HB GLN 118 -17.416 9.245 3.134 912 HB3 GLN 118 1HB GLN 118 -16.601 8.539 4.513 913 HG2 GLN 118 2HG GLN 118 -14.699 9.928 4.174 914 HG3 GLN 118 1HG GLN 118 -15.368 10.482 2.634 915 HE21 GLN 118 1HE2 GLN 118 -17.024 11.936 2.639 916 HE22 GLN 118 2HE2 GLN 118 -17.542 12.816 4.016 917 H PHE 119 H PHE 119 -13.634 8.160 1.521 918 HA PHE 119 HA PHE 119 -12.224 6.870 3.726 919 HB2 PHE 119 2HB PHE 119 -10.696 5.791 2.200 920 HB3 PHE 119 1HB PHE 119 -12.316 5.427 1.677 921 HD1 PHE 119 1HD PHE 119 -13.264 6.481 -0.369 922 HD2 PHE 119 2HD PHE 119 -9.199 7.025 0.778 923 HE1 PHE 119 1HE PHE 119 -12.724 7.244 -2.645 924 HE2 PHE 119 2HE PHE 119 -8.653 7.793 -1.479 925 HZ PHE 119 HZ PHE 119 -10.415 7.905 -3.205 926 H ARG 120 H ARG 120 -10.096 7.647 4.068 927 HA ARG 120 HA ARG 120 -9.390 10.165 2.826 928 HB2 ARG 120 2HB ARG 120 -10.913 10.695 4.721 929 HB3 ARG 120 1HB ARG 120 -9.829 9.794 5.776 930 HG2 ARG 120 2HG ARG 120 -8.108 11.418 5.484 931 HG3 ARG 120 1HG ARG 120 -9.081 12.284 4.288 932 HD2 ARG 120 2HD ARG 120 -10.767 12.760 5.950 933 HD3 ARG 120 1HD ARG 120 -9.883 11.819 7.150 934 HE ARG 120 HE ARG 120 -8.055 13.528 6.560 935 HH11 ARG 120 1HH1 ARG 120 -11.514 14.239 6.851 936 HH12 ARG 120 2HH1 ARG 120 -11.298 15.776 7.541 937 HH21 ARG 120 1HH2 ARG 120 -7.742 15.640 7.505 938 HH22 ARG 120 2HH2 ARG 120 -9.071 16.595 7.939 939 H ALA 121 H ALA 121 -7.142 10.651 3.369 940 HA ALA 121 HA ALA 121 -5.676 8.499 4.660 941 HB1 ALA 121 1HB ALA 121 -5.871 7.787 2.303 942 HB2 ALA 121 2HB ALA 121 -4.203 8.090 2.797 943 HB3 ALA 121 3HB ALA 121 -5.059 9.279 1.819 944 H ARG 122 H ARG 122 -3.658 9.036 5.307 945 HA ARG 122 HA ARG 122 -2.761 11.769 4.811 946 HB2 ARG 122 2HB ARG 122 -3.880 11.778 6.997 947 HB3 ARG 122 1HB ARG 122 -2.890 10.429 7.526 948 HG2 ARG 122 2HG ARG 122 -2.100 12.542 8.471 949 HG3 ARG 122 1HG ARG 122 -0.892 11.828 7.403 950 HD2 ARG 122 2HD ARG 122 -1.621 13.339 5.603 951 HD3 ARG 122 1HD ARG 122 -2.794 14.065 6.699 952 HE ARG 122 HE ARG 122 -0.684 14.554 8.081 953 HH11 ARG 122 1HH1 ARG 122 -0.695 14.501 4.499 954 HH12 ARG 122 2HH1 ARG 122 0.376 15.792 4.353 955 HH21 ARG 122 1HH2 ARG 122 0.845 16.354 7.830 956 HH22 ARG 122 2HH2 ARG 122 1.294 16.857 6.272 957 H GLY 123 H GLY 123 -0.787 11.770 4.102 958 HA2 GLY 123 2HA GLY 123 0.952 9.464 4.669 959 HA3 GLY 123 1HA GLY 123 1.032 10.451 3.209 960 H THR 124 H THR 124 2.668 9.860 5.859 961 HA THR 124 HA THR 124 3.630 12.595 6.097 962 HB THR 124 HB THR 124 3.004 10.614 8.293 963 HG1 THR 124 1HG THR 124 1.599 12.585 7.052 964 HG21 THR 124 3HG2 THR 124 3.994 13.460 8.450 965 HG22 THR 124 1HG2 THR 124 4.938 12.006 8.793 966 HG23 THR 124 2HG2 THR 124 3.561 12.428 9.826 967 H VAL 125 H VAL 125 5.908 12.668 6.575 968 HA VAL 125 HA VAL 125 7.353 10.232 5.980 969 HB VAL 125 HB VAL 125 8.478 12.963 6.679 970 HG11 VAL 125 1HG1 VAL 125 10.061 11.156 6.944 971 HG12 VAL 125 2HG1 VAL 125 10.508 12.160 5.564 972 HG13 VAL 125 3HG1 VAL 125 9.733 10.597 5.305 973 HG21 VAL 125 3HG2 VAL 125 8.743 13.430 4.337 974 HG22 VAL 125 1HG2 VAL 125 7.046 13.097 4.658 975 HG23 VAL 125 2HG2 VAL 125 8.073 11.869 3.891 976 H ASN 126 H ASN 126 7.597 8.926 7.650 977 HA ASN 126 HA ASN 126 8.269 10.105 10.254 978 HB2 ASN 126 2HB ASN 126 6.029 8.942 10.222 979 HB3 ASN 126 1HB ASN 126 6.856 7.463 9.750 980 HD21 ASN 126 1HD2 ASN 126 8.115 6.388 11.282 981 HD22 ASN 126 2HD2 ASN 126 7.979 6.739 12.978 982 HA PRO 127 HA PRO 127 11.756 7.655 8.631 983 HB2 PRO 127 2HB PRO 127 13.720 9.368 9.220 984 HB3 PRO 127 1HB PRO 127 12.606 9.678 7.879 985 HG2 PRO 127 2HG PRO 127 12.643 10.872 10.609 986 HG3 PRO 127 1HG PRO 127 12.317 11.644 9.048 987 HD2 PRO 127 2HD PRO 127 10.387 10.783 10.849 988 HD3 PRO 127 1HD PRO 127 10.103 11.091 9.127 989 H ASP 128 H ASP 128 10.974 8.735 11.733 990 HA ASP 128 HA ASP 128 13.275 7.623 13.080 991 HB2 ASP 128 2HB ASP 128 12.160 8.452 15.133 992 HB3 ASP 128 1HB ASP 128 12.464 9.703 13.940 993 H VAL 129 H VAL 129 11.467 5.828 11.657 994 HA VAL 129 HA VAL 129 9.903 4.360 13.502 995 HB VAL 129 HB VAL 129 11.250 3.295 10.991 996 HG11 VAL 129 1HG1 VAL 129 10.502 1.538 12.508 997 HG12 VAL 129 2HG1 VAL 129 9.507 1.563 11.049 998 HG13 VAL 129 3HG1 VAL 129 8.891 2.247 12.556 999 HG21 VAL 129 3HG2 VAL 129 8.478 4.429 11.343 1000 HG22 VAL 129 1HG2 VAL 129 9.107 3.700 9.867 1001 HG23 VAL 129 2HG2 VAL 129 9.806 5.202 10.482 1002 H GLU 130 H GLU 130 10.910 3.887 15.306 1003 HA GLU 130 HA GLU 130 13.479 2.600 15.349 1004 HB2 GLU 130 2HB GLU 130 12.707 4.468 16.887 1005 HB3 GLU 130 1HB GLU 130 11.599 3.262 17.553 1006 HG2 GLU 130 2HG GLU 130 13.504 1.865 18.099 1007 HG3 GLU 130 1HG GLU 130 14.561 3.172 17.543 1008 H THR 131 H THR 131 13.469 0.480 15.383 1009 HA THR 131 HA THR 131 11.036 -0.906 16.233 1010 HB THR 131 HB THR 131 11.150 -1.010 13.783 1011 HG1 THR 131 1HG THR 131 10.447 -2.962 13.860 1012 HG21 THR 131 3HG2 THR 131 13.838 -2.346 14.166 1013 HG22 THR 131 1HG2 THR 131 13.561 -0.755 13.454 1014 HG23 THR 131 2HG2 THR 131 12.984 -2.206 12.632 1015 H HIS 132 H HIS 132 11.346 -2.882 17.268 1016 HA HIS 132 HA HIS 132 14.074 -3.283 18.225 1017 HB2 HIS 132 2HB HIS 132 12.226 -2.743 19.914 1018 HB3 HIS 132 1HB HIS 132 11.503 -4.288 19.485 1019 HD1 HIS 132 1HD HIS 132 12.278 -6.240 20.890 1020 HD2 HIS 132 2HD HIS 132 14.927 -3.059 20.952 1021 HE1 HIS 132 1HE HIS 132 14.048 -6.846 22.578 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -27.874 3.861 -20.020 2 H2 MET 1 2HT MET 1 -26.586 4.294 -20.991 3 H3 MET 1 3HT MET 1 -27.342 5.476 -20.032 4 HA MET 1 HA MET 1 -25.256 4.805 -19.105 5 HB2 MET 1 2HB MET 1 -27.106 5.375 -17.549 6 HB3 MET 1 1HB MET 1 -27.604 3.693 -17.553 7 HG2 MET 1 2HG MET 1 -25.529 3.042 -16.489 8 HG3 MET 1 1HG MET 1 -24.952 4.706 -16.552 9 HE1 MET 1 2HE MET 1 -25.023 2.912 -13.906 10 HE2 MET 1 3HE MET 1 -25.614 4.079 -12.724 11 HE3 MET 1 1HE MET 1 -24.420 4.568 -13.928 12 H GLY 2 H GLY 2 -23.762 3.273 -19.459 13 HA2 GLY 2 2HA GLY 2 -23.667 0.790 -18.556 14 HA3 GLY 2 1HA GLY 2 -24.553 0.591 -20.068 15 H SER 3 H SER 3 -22.438 -0.695 -20.331 16 HA SER 3 HA SER 3 -20.148 0.869 -21.028 17 HB2 SER 3 2HB SER 3 -19.988 -1.404 -20.014 18 HB3 SER 3 1HB SER 3 -20.739 -2.082 -21.452 19 HG SER 3 HG SER 3 -18.298 -1.920 -21.060 20 H GLN 4 H GLN 4 -20.777 2.206 -22.653 21 HA GLN 4 HA GLN 4 -21.556 0.920 -25.161 22 HB2 GLN 4 2HB GLN 4 -23.421 2.223 -24.316 23 HB3 GLN 4 1HB GLN 4 -22.386 3.633 -24.129 24 HG2 GLN 4 2HG GLN 4 -22.046 3.705 -26.551 25 HG3 GLN 4 1HG GLN 4 -23.072 2.288 -26.733 26 HE21 GLN 4 1HE2 GLN 4 -22.977 5.668 -25.989 27 HE22 GLN 4 2HE2 GLN 4 -24.658 5.959 -26.206 28 H LYS 5 H LYS 5 -20.337 1.295 -26.851 29 HA LYS 5 HA LYS 5 -18.073 2.981 -26.668 30 HB2 LYS 5 2HB LYS 5 -17.826 2.369 -29.134 31 HB3 LYS 5 1HB LYS 5 -17.798 1.033 -27.995 32 HG2 LYS 5 2HG LYS 5 -20.154 0.550 -28.527 33 HG3 LYS 5 1HG LYS 5 -20.135 1.864 -29.708 34 HD2 LYS 5 2HD LYS 5 -18.402 0.731 -30.962 35 HD3 LYS 5 1HD LYS 5 -18.336 -0.536 -29.733 36 HE2 LYS 5 2HE LYS 5 -20.735 0.115 -31.445 37 HE3 LYS 5 1HE LYS 5 -19.624 -1.219 -31.731 38 HZ1 LYS 5 3HZ LYS 5 -21.617 -1.949 -30.606 39 HZ2 LYS 5 1HZ LYS 5 -21.358 -0.903 -29.320 40 HZ3 LYS 5 2HZ LYS 5 -20.292 -2.181 -29.600 41 H ARG 6 H ARG 6 -18.926 4.900 -26.167 42 HA ARG 6 HA ARG 6 -20.834 6.215 -27.872 43 HB2 ARG 6 2HB ARG 6 -20.616 8.107 -26.250 44 HB3 ARG 6 1HB ARG 6 -21.091 6.584 -25.519 45 HG2 ARG 6 2HG ARG 6 -18.838 6.204 -24.796 46 HG3 ARG 6 1HG ARG 6 -18.323 7.710 -25.553 47 HD2 ARG 6 2HD ARG 6 -20.345 7.510 -23.292 48 HD3 ARG 6 1HD ARG 6 -18.646 7.910 -23.070 49 HE ARG 6 HE ARG 6 -19.993 9.636 -24.923 50 HH11 ARG 6 1HH1 ARG 6 -19.390 9.144 -21.446 51 HH12 ARG 6 2HH1 ARG 6 -19.550 10.779 -21.040 52 HH21 ARG 6 1HH2 ARG 6 -20.234 11.890 -24.353 53 HH22 ARG 6 2HH2 ARG 6 -20.048 12.395 -22.746 54 H LEU 7 H LEU 7 -20.432 7.878 -29.250 55 HA LEU 7 HA LEU 7 -17.685 8.217 -30.015 56 HB2 LEU 7 2HB LEU 7 -20.239 9.316 -31.221 57 HB3 LEU 7 1HB LEU 7 -18.650 9.725 -31.822 58 HG LEU 7 HG LEU 7 -18.313 7.273 -32.319 59 HD11 LEU 7 1HD1 LEU 7 -21.269 7.092 -31.798 60 HD12 LEU 7 2HD1 LEU 7 -19.995 6.314 -30.861 61 HD13 LEU 7 3HD1 LEU 7 -20.271 5.840 -32.536 62 HD21 LEU 7 3HD2 LEU 7 -19.646 7.310 -34.365 63 HD22 LEU 7 1HD2 LEU 7 -18.856 8.859 -34.067 64 HD23 LEU 7 2HD2 LEU 7 -20.578 8.662 -33.727 65 H VAL 8 H VAL 8 -16.867 9.168 -28.304 66 HA VAL 8 HA VAL 8 -17.858 11.822 -27.628 67 HB VAL 8 HB VAL 8 -18.042 10.161 -25.812 68 HG11 VAL 8 1HG1 VAL 8 -15.049 9.945 -25.958 69 HG12 VAL 8 2HG1 VAL 8 -16.224 8.684 -26.332 70 HG13 VAL 8 3HG1 VAL 8 -16.062 9.274 -24.677 71 HG21 VAL 8 3HG2 VAL 8 -15.994 12.307 -25.245 72 HG22 VAL 8 1HG2 VAL 8 -16.936 11.451 -24.026 73 HG23 VAL 8 2HG2 VAL 8 -17.744 12.497 -25.195 74 H GLN 9 H GLN 9 -16.440 13.461 -27.585 75 HA GLN 9 HA GLN 9 -13.804 13.035 -28.732 76 HB2 GLN 9 2HB GLN 9 -13.706 15.523 -28.750 77 HB3 GLN 9 1HB GLN 9 -15.084 14.891 -29.638 78 HG2 GLN 9 2HG GLN 9 -16.541 15.393 -27.742 79 HG3 GLN 9 1HG GLN 9 -15.157 16.011 -26.842 80 HE21 GLN 9 1HE2 GLN 9 -14.328 18.020 -27.362 81 HE22 GLN 9 2HE2 GLN 9 -15.149 19.093 -28.423 82 H ARG 10 H ARG 10 -11.992 14.277 -27.630 83 HA ARG 10 HA ARG 10 -11.993 13.493 -24.893 84 HB2 ARG 10 2HB ARG 10 -9.926 14.840 -26.598 85 HB3 ARG 10 1HB ARG 10 -9.681 14.509 -24.885 86 HG2 ARG 10 2HG ARG 10 -9.885 12.169 -25.225 87 HG3 ARG 10 1HG ARG 10 -10.402 12.407 -26.894 88 HD2 ARG 10 2HD ARG 10 -7.746 13.259 -25.811 89 HD3 ARG 10 1HD ARG 10 -8.031 11.717 -26.624 90 HE ARG 10 HE ARG 10 -9.005 13.632 -28.316 91 HH11 ARG 10 1HH1 ARG 10 -5.893 12.999 -26.804 92 HH12 ARG 10 2HH1 ARG 10 -4.964 13.525 -28.121 93 HH21 ARG 10 1HH2 ARG 10 -7.717 14.374 -30.183 94 HH22 ARG 10 2HH2 ARG 10 -6.019 14.280 -30.073 95 H VAL 11 H VAL 11 -13.479 14.571 -23.958 96 HA VAL 11 HA VAL 11 -13.832 17.366 -23.941 97 HB VAL 11 HB VAL 11 -14.768 15.288 -21.932 98 HG11 VAL 11 1HG1 VAL 11 -16.581 16.826 -21.419 99 HG12 VAL 11 2HG1 VAL 11 -15.906 18.003 -22.541 100 HG13 VAL 11 3HG1 VAL 11 -15.009 17.556 -21.088 101 HG21 VAL 11 3HG2 VAL 11 -15.475 14.682 -24.178 102 HG22 VAL 11 1HG2 VAL 11 -16.155 16.291 -24.414 103 HG23 VAL 11 2HG2 VAL 11 -16.855 15.202 -23.215 104 H GLU 12 H GLU 12 -13.176 18.862 -22.392 105 HA GLU 12 HA GLU 12 -10.727 18.769 -21.121 106 HB2 GLU 12 2HB GLU 12 -11.983 20.833 -21.467 107 HB3 GLU 12 1HB GLU 12 -13.210 20.297 -20.328 108 HG2 GLU 12 2HG GLU 12 -11.312 20.222 -18.612 109 HG3 GLU 12 1HG GLU 12 -10.412 21.191 -19.777 110 H ARG 13 H ARG 13 -13.904 18.075 -19.842 111 HA ARG 13 HA ARG 13 -13.297 17.698 -17.140 112 HB2 ARG 13 2HB ARG 13 -15.484 16.345 -18.715 113 HB3 ARG 13 1HB ARG 13 -15.412 16.512 -16.973 114 HG2 ARG 13 2HG ARG 13 -15.812 18.704 -18.998 115 HG3 ARG 13 1HG ARG 13 -17.008 18.063 -17.879 116 HD2 ARG 13 2HD ARG 13 -15.332 18.817 -16.048 117 HD3 ARG 13 1HD ARG 13 -14.643 19.816 -17.329 118 HE ARG 13 HE ARG 13 -17.499 19.950 -16.828 119 HH11 ARG 13 1HH1 ARG 13 -14.408 21.767 -16.937 120 HH12 ARG 13 2HH1 ARG 13 -15.071 23.136 -16.194 121 HH21 ARG 13 1HH2 ARG 13 -18.374 21.935 -15.914 122 HH22 ARG 13 2HH2 ARG 13 -17.360 23.261 -15.647 123 H LYS 14 H LYS 14 -12.872 15.896 -15.952 124 HA LYS 14 HA LYS 14 -11.309 13.841 -17.077 125 HB2 LYS 14 2HB LYS 14 -11.098 14.703 -14.744 126 HB3 LYS 14 1HB LYS 14 -12.661 14.028 -14.353 127 HG2 LYS 14 2HG LYS 14 -10.334 12.311 -15.222 128 HG3 LYS 14 1HG LYS 14 -10.568 12.792 -13.549 129 HD2 LYS 14 2HD LYS 14 -12.588 11.249 -15.197 130 HD3 LYS 14 1HD LYS 14 -11.425 10.518 -14.092 131 HE2 LYS 14 2HE LYS 14 -12.438 11.740 -12.218 132 HE3 LYS 14 1HE LYS 14 -13.590 12.488 -13.323 133 HZ1 LYS 14 3HZ LYS 14 -14.602 10.417 -13.753 134 HZ2 LYS 14 1HZ LYS 14 -14.467 10.512 -12.092 135 HZ3 LYS 14 2HZ LYS 14 -13.406 9.538 -12.942 136 H LEU 15 H LEU 15 -12.041 12.163 -18.235 137 HA LEU 15 HA LEU 15 -14.843 11.393 -18.057 138 HB2 LEU 15 2HB LEU 15 -12.661 10.480 -19.940 139 HB3 LEU 15 1HB LEU 15 -14.348 10.021 -20.055 140 HG LEU 15 HG LEU 15 -13.267 12.822 -20.412 141 HD11 LEU 15 1HD1 LEU 15 -12.639 11.357 -22.248 142 HD12 LEU 15 2HD1 LEU 15 -13.857 12.523 -22.760 143 HD13 LEU 15 3HD1 LEU 15 -14.318 10.852 -22.435 144 HD21 LEU 15 3HD2 LEU 15 -15.532 12.849 -19.509 145 HD22 LEU 15 1HD2 LEU 15 -16.061 11.725 -20.761 146 HD23 LEU 15 2HD2 LEU 15 -15.538 13.349 -21.199 147 H GLU 16 H GLU 16 -15.463 9.185 -17.704 148 HA GLU 16 HA GLU 16 -13.850 8.067 -15.646 149 HB2 GLU 16 2HB GLU 16 -16.557 7.320 -16.660 150 HB3 GLU 16 1HB GLU 16 -15.688 6.260 -15.569 151 HG2 GLU 16 2HG GLU 16 -17.217 7.618 -14.311 152 HG3 GLU 16 1HG GLU 16 -15.568 8.096 -13.930 153 H GLN 17 H GLN 17 -12.228 6.952 -15.983 154 HA GLN 17 HA GLN 17 -12.465 4.570 -17.641 155 HB2 GLN 17 2HB GLN 17 -10.053 6.351 -17.273 156 HB3 GLN 17 1HB GLN 17 -9.908 4.680 -17.779 157 HG2 GLN 17 2HG GLN 17 -11.402 6.828 -19.271 158 HG3 GLN 17 1HG GLN 17 -9.771 6.256 -19.619 159 HE21 GLN 17 1HE2 GLN 17 -10.227 5.544 -21.653 160 HE22 GLN 17 2HE2 GLN 17 -11.222 4.181 -21.994 161 H THR 18 H THR 18 -12.838 3.108 -16.224 162 HA THR 18 HA THR 18 -12.040 3.257 -13.532 163 HB THR 18 HB THR 18 -13.006 0.915 -15.105 164 HG1 THR 18 1HG THR 18 -14.568 2.762 -13.592 165 HG21 THR 18 3HG2 THR 18 -13.957 0.189 -12.947 166 HG22 THR 18 1HG2 THR 18 -13.240 1.611 -12.179 167 HG23 THR 18 2HG2 THR 18 -12.199 0.367 -12.875 168 H VAL 19 H VAL 19 -10.104 2.931 -12.906 169 HA VAL 19 HA VAL 19 -8.393 0.934 -14.213 170 HB VAL 19 HB VAL 19 -7.371 3.511 -12.954 171 HG11 VAL 19 1HG1 VAL 19 -5.211 2.890 -13.947 172 HG12 VAL 19 2HG1 VAL 19 -5.923 1.390 -14.541 173 HG13 VAL 19 3HG1 VAL 19 -5.777 1.667 -12.807 174 HG21 VAL 19 3HG2 VAL 19 -7.585 2.787 -15.879 175 HG22 VAL 19 1HG2 VAL 19 -6.815 4.237 -15.236 176 HG23 VAL 19 2HG2 VAL 19 -8.553 3.998 -15.040 177 H GLY 20 H GLY 20 -8.982 -0.581 -12.777 178 HA2 GLY 20 2HA GLY 20 -7.526 -0.989 -10.489 179 HA3 GLY 20 1HA GLY 20 -9.030 -0.221 -9.967 180 H ASP 21 H ASP 21 -8.199 -2.486 -12.483 181 HA ASP 21 HA ASP 21 -10.565 -3.926 -12.540 182 HB2 ASP 21 2HB ASP 21 -9.012 -4.073 -14.362 183 HB3 ASP 21 1HB ASP 21 -7.769 -4.744 -13.314 184 H ALA 22 H ALA 22 -7.704 -4.469 -10.740 185 HA ALA 22 HA ALA 22 -8.275 -6.974 -9.615 186 HB1 ALA 22 1HB ALA 22 -6.759 -4.715 -8.320 187 HB2 ALA 22 2HB ALA 22 -6.077 -5.873 -9.456 188 HB3 ALA 22 3HB ALA 22 -6.660 -6.423 -7.881 189 H PHE 23 H PHE 23 -8.708 -3.832 -8.183 190 HA PHE 23 HA PHE 23 -10.113 -4.593 -5.904 191 HB2 PHE 23 2HB PHE 23 -10.179 -2.136 -7.560 192 HB3 PHE 23 1HB PHE 23 -10.892 -2.201 -5.931 193 HD1 PHE 23 1HD PHE 23 -9.271 -2.702 -4.010 194 HD2 PHE 23 2HD PHE 23 -7.958 -1.632 -7.918 195 HE1 PHE 23 1HE PHE 23 -7.066 -2.100 -3.104 196 HE2 PHE 23 2HE PHE 23 -5.751 -1.033 -7.019 197 HZ PHE 23 HZ PHE 23 -5.303 -1.268 -4.607 198 H ALA 24 H ALA 24 -11.224 -3.593 -9.089 199 HA ALA 24 HA ALA 24 -13.960 -3.547 -8.650 200 HB1 ALA 24 1HB ALA 24 -12.878 -2.631 -10.649 201 HB2 ALA 24 2HB ALA 24 -14.196 -3.731 -11.056 202 HB3 ALA 24 3HB ALA 24 -12.524 -4.270 -11.194 203 H ARG 25 H ARG 25 -11.931 -6.291 -9.748 204 HA ARG 25 HA ARG 25 -14.239 -7.950 -9.876 205 HB2 ARG 25 2HB ARG 25 -12.764 -9.738 -10.500 206 HB3 ARG 25 1HB ARG 25 -12.371 -8.297 -11.411 207 HG2 ARG 25 2HG ARG 25 -10.443 -7.918 -9.963 208 HG3 ARG 25 1HG ARG 25 -10.859 -9.371 -9.045 209 HD2 ARG 25 2HD ARG 25 -9.124 -9.841 -10.692 210 HD3 ARG 25 1HD ARG 25 -10.611 -10.718 -11.067 211 HE ARG 25 HE ARG 25 -9.875 -8.193 -12.401 212 HH11 ARG 25 1HH1 ARG 25 -10.996 -11.562 -12.663 213 HH12 ARG 25 2HH1 ARG 25 -11.227 -11.445 -14.351 214 HH21 ARG 25 1HH2 ARG 25 -10.267 -8.062 -14.610 215 HH22 ARG 25 2HH2 ARG 25 -10.774 -9.443 -15.499 216 H ILE 26 H ILE 26 -11.818 -7.266 -7.485 217 HA ILE 26 HA ILE 26 -12.279 -9.531 -5.849 218 HB ILE 26 HB ILE 26 -11.170 -6.796 -5.137 219 HG12 ILE 26 2HG1 ILE 26 -9.801 -9.477 -5.505 220 HG13 ILE 26 1HG1 ILE 26 -9.780 -8.145 -6.649 221 HG21 ILE 26 1HG2 ILE 26 -12.145 -7.739 -3.124 222 HG22 ILE 26 2HG2 ILE 26 -10.384 -7.776 -3.018 223 HG23 ILE 26 3HG2 ILE 26 -11.276 -9.255 -3.384 224 HD11 ILE 26 3HD1 ILE 26 -8.604 -8.099 -3.883 225 HD12 ILE 26 1HD1 ILE 26 -8.567 -6.770 -5.042 226 HD13 ILE 26 2HD1 ILE 26 -7.703 -8.269 -5.389 227 H PHE 27 H PHE 27 -13.625 -6.239 -5.764 228 HA PHE 27 HA PHE 27 -15.352 -7.031 -3.586 229 HB2 PHE 27 2HB PHE 27 -15.441 -4.475 -5.192 230 HB3 PHE 27 1HB PHE 27 -16.234 -4.807 -3.654 231 HD1 PHE 27 2HD PHE 27 -14.287 -5.850 -1.914 232 HD2 PHE 27 1HD PHE 27 -13.787 -2.948 -4.972 233 HE1 PHE 27 2HE PHE 27 -12.330 -4.954 -0.735 234 HE2 PHE 27 1HE PHE 27 -11.822 -2.044 -3.802 235 HZ PHE 27 HZ PHE 27 -11.091 -3.043 -1.676 236 H GLY 28 H GLY 28 -15.553 -6.645 -7.067 237 HA2 GLY 28 2HA GLY 28 -17.101 -7.456 -8.524 238 HA3 GLY 28 1HA GLY 28 -17.964 -8.160 -7.162 239 H GLY 29 H GLY 29 -19.396 -6.871 -5.998 240 HA2 GLY 29 2HA GLY 29 -20.611 -4.761 -7.642 241 HA3 GLY 29 1HA GLY 29 -21.463 -5.734 -6.447 242 H SER 30 H SER 30 -18.671 -3.561 -6.588 243 HA SER 30 HA SER 30 -19.798 -1.932 -4.486 244 HB2 SER 30 2HB SER 30 -17.010 -3.111 -4.302 245 HB3 SER 30 1HB SER 30 -17.744 -2.015 -3.143 246 HG SER 30 HG SER 30 -19.362 -4.074 -3.536 247 H ILE 31 H ILE 31 -18.213 0.037 -4.280 248 HA ILE 31 HA ILE 31 -17.823 0.994 -6.942 249 HB ILE 31 HB ILE 31 -17.015 3.074 -5.916 250 HG12 ILE 31 2HG1 ILE 31 -17.346 1.644 -3.253 251 HG13 ILE 31 1HG1 ILE 31 -15.807 2.054 -3.996 252 HG21 ILE 31 1HG2 ILE 31 -19.506 1.977 -4.627 253 HG22 ILE 31 2HG2 ILE 31 -19.397 2.786 -6.191 254 HG23 ILE 31 3HG2 ILE 31 -19.070 3.681 -4.710 255 HD11 ILE 31 3HD1 ILE 31 -16.343 4.424 -3.789 256 HD12 ILE 31 1HD1 ILE 31 -16.390 3.612 -2.225 257 HD13 ILE 31 2HD1 ILE 31 -17.894 4.012 -3.062 258 H VAL 32 H VAL 32 -15.892 1.580 -7.919 259 HA VAL 32 HA VAL 32 -13.651 -0.042 -7.090 260 HB VAL 32 HB VAL 32 -13.903 1.778 -9.511 261 HG11 VAL 32 1HG1 VAL 32 -12.031 0.460 -10.417 262 HG12 VAL 32 2HG1 VAL 32 -11.945 -0.443 -8.904 263 HG13 VAL 32 3HG1 VAL 32 -11.589 1.286 -8.923 264 HG21 VAL 32 3HG2 VAL 32 -14.378 -1.198 -9.302 265 HG22 VAL 32 1HG2 VAL 32 -14.362 -0.269 -10.801 266 HG23 VAL 32 2HG2 VAL 32 -15.607 0.033 -9.587 267 HA PRO 33 HA PRO 33 -12.375 3.684 -5.038 268 HB2 PRO 33 2HB PRO 33 -10.665 2.591 -3.328 269 HB3 PRO 33 1HB PRO 33 -12.401 2.275 -3.211 270 HG2 PRO 33 2HG PRO 33 -10.224 0.548 -4.302 271 HG3 PRO 33 1HG PRO 33 -11.645 0.098 -3.345 272 HD2 PRO 33 2HD PRO 33 -11.422 -0.090 -6.126 273 HD3 PRO 33 1HD PRO 33 -12.936 -0.124 -5.192 274 H GLN 34 H GLN 34 -11.143 3.518 -7.629 275 HA GLN 34 HA GLN 34 -8.328 3.489 -7.137 276 HB2 GLN 34 2HB GLN 34 -7.883 4.337 -9.393 277 HB3 GLN 34 1HB GLN 34 -8.960 2.967 -9.426 278 HG2 GLN 34 2HG GLN 34 -10.066 5.740 -9.569 279 HG3 GLN 34 1HG GLN 34 -9.326 5.017 -10.991 280 HE21 GLN 34 1HE2 GLN 34 -12.040 5.041 -8.894 281 HE22 GLN 34 2HE2 GLN 34 -12.997 3.923 -9.784 282 H GLU 35 H GLU 35 -10.652 5.764 -6.507 283 HA GLU 35 HA GLU 35 -9.152 8.138 -6.632 284 HB2 GLU 35 2HB GLU 35 -11.648 7.856 -6.185 285 HB3 GLU 35 1HB GLU 35 -11.209 7.469 -4.526 286 HG2 GLU 35 2HG GLU 35 -11.829 9.755 -4.578 287 HG3 GLU 35 1HG GLU 35 -10.072 9.707 -4.435 288 H VAL 36 H VAL 36 -9.077 5.402 -4.469 289 HA VAL 36 HA VAL 36 -7.821 6.693 -2.258 290 HB VAL 36 HB VAL 36 -7.778 3.744 -2.992 291 HG11 VAL 36 1HG1 VAL 36 -5.989 4.323 -1.429 292 HG12 VAL 36 2HG1 VAL 36 -7.228 3.355 -0.632 293 HG13 VAL 36 3HG1 VAL 36 -7.162 5.096 -0.359 294 HG21 VAL 36 3HG2 VAL 36 -9.572 5.233 -1.085 295 HG22 VAL 36 1HG2 VAL 36 -9.554 3.489 -1.360 296 HG23 VAL 36 2HG2 VAL 36 -10.043 4.584 -2.659 297 H GLU 37 H GLU 37 -6.592 4.700 -4.939 298 HA GLU 37 HA GLU 37 -3.920 5.072 -4.125 299 HB2 GLU 37 2HB GLU 37 -3.284 4.147 -6.374 300 HB3 GLU 37 1HB GLU 37 -4.383 3.126 -5.474 301 HG2 GLU 37 2HG GLU 37 -5.474 2.982 -7.423 302 HG3 GLU 37 1HG GLU 37 -6.121 4.558 -6.992 303 H ALA 38 H ALA 38 -6.032 6.783 -6.271 304 HA ALA 38 HA ALA 38 -4.285 8.642 -7.358 305 HB1 ALA 38 1HB ALA 38 -6.628 8.374 -8.046 306 HB2 ALA 38 2HB ALA 38 -6.232 10.051 -7.670 307 HB3 ALA 38 3HB ALA 38 -7.145 9.082 -6.512 308 H LEU 39 H LEU 39 -6.074 8.704 -4.317 309 HA LEU 39 HA LEU 39 -5.322 11.266 -3.473 310 HB2 LEU 39 2HB LEU 39 -7.063 9.453 -2.562 311 HB3 LEU 39 1HB LEU 39 -5.739 9.066 -1.490 312 HG LEU 39 HG LEU 39 -7.285 10.528 -0.355 313 HD11 LEU 39 1HD1 LEU 39 -5.888 12.365 0.321 314 HD12 LEU 39 2HD1 LEU 39 -4.858 12.125 -1.088 315 HD13 LEU 39 3HD1 LEU 39 -4.924 10.892 0.165 316 HD21 LEU 39 3HD2 LEU 39 -8.342 11.534 -2.292 317 HD22 LEU 39 1HD2 LEU 39 -6.889 12.473 -2.626 318 HD23 LEU 39 2HD2 LEU 39 -7.817 12.769 -1.154 319 H LEU 40 H LEU 40 -3.872 8.059 -2.892 320 HA LEU 40 HA LEU 40 -1.793 9.175 -1.352 321 HB2 LEU 40 2HB LEU 40 -2.124 6.441 -2.505 322 HB3 LEU 40 1HB LEU 40 -0.571 6.929 -1.858 323 HG LEU 40 HG LEU 40 -1.758 7.459 0.306 324 HD11 LEU 40 1HD1 LEU 40 -4.016 7.616 -0.470 325 HD12 LEU 40 2HD1 LEU 40 -3.876 6.373 0.770 326 HD13 LEU 40 3HD1 LEU 40 -4.006 5.914 -0.933 327 HD21 LEU 40 3HD2 LEU 40 -1.842 5.079 1.016 328 HD22 LEU 40 1HD2 LEU 40 -0.387 5.511 0.116 329 HD23 LEU 40 2HD2 LEU 40 -1.667 4.620 -0.682 330 H ARG 41 H ARG 41 -2.065 8.712 -4.788 331 HA ARG 41 HA ARG 41 0.689 9.207 -5.376 332 HB2 ARG 41 2HB ARG 41 -1.603 10.202 -7.108 333 HB3 ARG 41 1HB ARG 41 0.031 9.814 -7.616 334 HG2 ARG 41 2HG ARG 41 -0.409 7.450 -7.242 335 HG3 ARG 41 1HG ARG 41 -2.051 7.842 -6.729 336 HD2 ARG 41 2HD ARG 41 -0.820 8.053 -9.457 337 HD3 ARG 41 1HD ARG 41 -2.318 7.257 -8.975 338 HE ARG 41 HE ARG 41 -1.952 10.174 -9.025 339 HH11 ARG 41 1HH1 ARG 41 -4.143 7.400 -9.471 340 HH12 ARG 41 2HH1 ARG 41 -5.322 8.349 -10.241 341 HH21 ARG 41 1HH2 ARG 41 -3.634 11.414 -10.016 342 HH22 ARG 41 2HH2 ARG 41 -5.051 10.623 -10.553 343 H ARG 42 H ARG 42 -2.084 11.249 -4.726 344 HA ARG 42 HA ARG 42 -0.791 13.723 -5.157 345 HB2 ARG 42 2HB ARG 42 -3.230 13.661 -5.197 346 HB3 ARG 42 1HB ARG 42 -3.283 13.054 -3.554 347 HG2 ARG 42 2HG ARG 42 -2.028 15.723 -4.060 348 HG3 ARG 42 1HG ARG 42 -3.781 15.594 -4.095 349 HD2 ARG 42 2HD ARG 42 -3.861 14.897 -1.826 350 HD3 ARG 42 1HD ARG 42 -2.133 14.566 -1.799 351 HE ARG 42 HE ARG 42 -1.800 16.981 -1.985 352 HH11 ARG 42 1HH1 ARG 42 -5.061 16.067 -0.994 353 HH12 ARG 42 2HH1 ARG 42 -5.207 17.258 0.196 354 HH21 ARG 42 1HH2 ARG 42 -1.942 18.598 -0.316 355 HH22 ARG 42 2HH2 ARG 42 -3.361 18.759 0.629 356 H GLU 43 H GLU 43 -1.355 11.791 -2.270 357 HA GLU 43 HA GLU 43 -0.221 13.576 -0.442 358 HB2 GLU 43 2HB GLU 43 -0.648 10.620 -0.375 359 HB3 GLU 43 1HB GLU 43 0.127 11.467 0.958 360 HG2 GLU 43 2HG GLU 43 -2.609 12.054 -0.128 361 HG3 GLU 43 1HG GLU 43 -2.255 11.147 1.348 362 H ALA 44 H ALA 44 1.223 10.965 -2.280 363 HA ALA 44 HA ALA 44 3.769 11.083 -1.169 364 HB1 ALA 44 1HB ALA 44 2.986 9.308 -2.624 365 HB2 ALA 44 2HB ALA 44 4.503 10.011 -3.211 366 HB3 ALA 44 3HB ALA 44 2.959 10.442 -3.978 367 H ALA 45 H ALA 45 2.307 12.911 -3.797 368 HA ALA 45 HA ALA 45 4.720 14.349 -4.375 369 HB1 ALA 45 1HB ALA 45 3.042 13.867 -6.105 370 HB2 ALA 45 2HB ALA 45 3.381 15.589 -5.956 371 HB3 ALA 45 3HB ALA 45 1.899 14.917 -5.270 372 H ASP 46 H ASP 46 2.037 14.770 -2.272 373 HA ASP 46 HA ASP 46 2.318 17.618 -1.910 374 HB2 ASP 46 2HB ASP 46 0.159 16.335 -1.653 375 HB3 ASP 46 1HB ASP 46 0.817 15.660 -0.171 376 H GLY 47 H GLY 47 3.220 14.681 -0.195 377 HA2 GLY 47 2HA GLY 47 4.311 16.158 2.045 378 HA3 GLY 47 1HA GLY 47 4.254 14.416 1.854 379 H ILE 48 H ILE 48 5.484 16.142 -0.807 380 HA ILE 48 HA ILE 48 7.988 14.940 -0.719 381 HB ILE 48 HB ILE 48 6.846 17.231 -2.295 382 HG12 ILE 48 2HG1 ILE 48 6.142 15.012 -2.916 383 HG13 ILE 48 1HG1 ILE 48 7.151 15.698 -4.185 384 HG21 ILE 48 1HG2 ILE 48 8.832 17.386 -3.645 385 HG22 ILE 48 2HG2 ILE 48 9.648 16.219 -2.601 386 HG23 ILE 48 3HG2 ILE 48 9.181 17.810 -1.961 387 HD11 ILE 48 3HD1 ILE 48 9.060 14.380 -3.299 388 HD12 ILE 48 1HD1 ILE 48 7.720 13.394 -3.878 389 HD13 ILE 48 2HD1 ILE 48 7.954 13.617 -2.155 390 H GLN 49 H GLN 49 9.769 15.386 0.248 391 HA GLN 49 HA GLN 49 9.929 17.842 1.802 392 HB2 GLN 49 2HB GLN 49 9.900 15.529 2.916 393 HB3 GLN 49 1HB GLN 49 11.424 15.281 2.113 394 HG2 GLN 49 2HG GLN 49 12.414 17.152 3.302 395 HG3 GLN 49 1HG GLN 49 10.887 17.404 4.156 396 HE21 GLN 49 1HE2 GLN 49 13.709 15.443 3.892 397 HE22 GLN 49 2HE2 GLN 49 13.426 14.483 5.299 398 H SER 50 H SER 50 11.523 19.198 1.177 399 HA SER 50 HA SER 50 13.019 18.664 -1.124 400 HB2 SER 50 2HB SER 50 14.116 20.887 -0.292 401 HB3 SER 50 1HB SER 50 12.427 20.893 -0.816 402 HG SER 50 HG SER 50 12.496 21.924 1.089 403 H LEU 51 H LEU 51 14.732 17.500 -1.249 404 HA LEU 51 HA LEU 51 16.552 17.235 1.041 405 HB2 LEU 51 2HB LEU 51 15.108 15.205 0.299 406 HB3 LEU 51 1HB LEU 51 16.072 15.205 -1.159 407 HG LEU 51 HG LEU 51 18.100 14.755 0.245 408 HD11 LEU 51 1HD1 LEU 51 17.794 14.031 2.542 409 HD12 LEU 51 2HD1 LEU 51 16.090 14.478 2.463 410 HD13 LEU 51 3HD1 LEU 51 17.336 15.721 2.337 411 HD21 LEU 51 3HD2 LEU 51 17.543 12.426 0.703 412 HD22 LEU 51 1HD2 LEU 51 16.893 12.941 -0.852 413 HD23 LEU 51 2HD2 LEU 51 15.828 12.799 0.544 414 H GLN 52 H GLN 52 18.670 16.098 -0.450 415 HA GLN 52 HA GLN 52 19.707 18.304 -1.839 416 HB2 GLN 52 2HB GLN 52 20.571 15.415 -1.948 417 HB3 GLN 52 1HB GLN 52 21.486 16.764 -2.590 418 HG2 GLN 52 2HG GLN 52 20.766 16.386 0.305 419 HG3 GLN 52 1HG GLN 52 22.311 15.969 -0.445 420 HE21 GLN 52 1HE2 GLN 52 23.394 17.342 0.976 421 HE22 GLN 52 2HE2 GLN 52 23.376 19.054 0.780 422 H GLY 53 H GLY 53 20.543 18.093 -4.083 423 HA2 GLY 53 2HA GLY 53 18.277 18.050 -5.811 424 HA3 GLY 53 1HA GLY 53 19.930 18.406 -6.276 425 H ASN 54 H ASN 54 20.044 15.557 -4.760 426 HA ASN 54 HA ASN 54 20.351 13.994 -7.123 427 HB2 ASN 54 2HB ASN 54 20.018 13.063 -4.256 428 HB3 ASN 54 1HB ASN 54 20.437 12.020 -5.600 429 HD21 ASN 54 1HD2 ASN 54 22.337 11.357 -4.803 430 HD22 ASN 54 2HD2 ASN 54 23.723 12.347 -4.586 431 H ARG 55 H ARG 55 17.865 14.236 -4.580 432 HA ARG 55 HA ARG 55 15.748 13.666 -6.246 433 HB2 ARG 55 2HB ARG 55 15.105 11.385 -5.467 434 HB3 ARG 55 1HB ARG 55 16.562 11.402 -6.445 435 HG2 ARG 55 2HG ARG 55 17.840 11.394 -4.295 436 HG3 ARG 55 1HG ARG 55 16.316 11.026 -3.482 437 HD2 ARG 55 2HD ARG 55 17.617 9.381 -5.669 438 HD3 ARG 55 1HD ARG 55 17.576 8.972 -3.960 439 HE ARG 55 HE ARG 55 14.950 9.289 -4.807 440 HH11 ARG 55 1HH1 ARG 55 17.649 7.138 -5.574 441 HH12 ARG 55 2HH1 ARG 55 16.679 5.775 -5.892 442 HH21 ARG 55 1HH2 ARG 55 13.578 7.316 -5.197 443 HH22 ARG 55 2HH2 ARG 55 14.358 5.916 -5.709 444 H LEU 56 H LEU 56 13.748 13.346 -5.056 445 HA LEU 56 HA LEU 56 13.743 15.011 -2.630 446 HB2 LEU 56 2HB LEU 56 11.504 14.053 -4.399 447 HB3 LEU 56 1HB LEU 56 11.392 15.224 -3.103 448 HG LEU 56 HG LEU 56 12.980 15.628 -5.637 449 HD11 LEU 56 1HD1 LEU 56 11.227 17.214 -6.247 450 HD12 LEU 56 2HD1 LEU 56 10.313 16.743 -4.819 451 HD13 LEU 56 3HD1 LEU 56 10.603 15.572 -6.104 452 HD21 LEU 56 3HD2 LEU 56 13.094 17.971 -4.883 453 HD22 LEU 56 1HD2 LEU 56 13.898 16.875 -3.759 454 HD23 LEU 56 2HD2 LEU 56 12.300 17.514 -3.379 455 H LEU 57 H LEU 57 12.573 14.456 -0.818 456 HA LEU 57 HA LEU 57 12.580 11.581 -0.363 457 HB2 LEU 57 2HB LEU 57 13.897 13.372 1.028 458 HB3 LEU 57 1HB LEU 57 12.343 13.800 1.665 459 HG LEU 57 HG LEU 57 13.626 12.420 3.200 460 HD11 LEU 57 1HD1 LEU 57 11.958 10.740 3.738 461 HD12 LEU 57 2HD1 LEU 57 11.181 11.026 2.176 462 HD13 LEU 57 3HD1 LEU 57 11.243 12.313 3.383 463 HD21 LEU 57 3HD2 LEU 57 13.443 10.307 1.073 464 HD22 LEU 57 1HD2 LEU 57 14.041 10.066 2.713 465 HD23 LEU 57 2HD2 LEU 57 14.907 11.134 1.610 466 H ALA 58 H ALA 58 10.657 10.623 -0.154 467 HA ALA 58 HA ALA 58 8.242 12.273 -0.345 468 HB1 ALA 58 1HB ALA 58 7.216 10.227 -1.290 469 HB2 ALA 58 2HB ALA 58 8.758 9.394 -1.101 470 HB3 ALA 58 3HB ALA 58 8.622 10.760 -2.204 471 HA PRO 59 HA PRO 59 6.817 10.880 3.616 472 HB2 PRO 59 2HB PRO 59 4.173 10.369 3.104 473 HB3 PRO 59 1HB PRO 59 4.833 11.982 3.386 474 HG2 PRO 59 2HG PRO 59 4.161 10.624 0.831 475 HG3 PRO 59 1HG PRO 59 3.927 12.320 1.291 476 HD2 PRO 59 2HD PRO 59 5.938 11.522 -0.314 477 HD3 PRO 59 1HD PRO 59 6.115 12.872 0.820 478 H ASN 60 H ASN 60 6.415 9.045 4.753 479 HA ASN 60 HA ASN 60 6.303 6.590 3.159 480 HB2 ASN 60 2HB ASN 60 7.803 5.558 4.802 481 HB3 ASN 60 1HB ASN 60 8.543 6.931 3.990 482 HD21 ASN 60 1HD2 ASN 60 9.186 5.709 6.516 483 HD22 ASN 60 2HD2 ASN 60 9.100 6.975 7.691 484 H GLU 61 H GLU 61 4.918 8.362 5.746 485 HA GLU 61 HA GLU 61 3.657 5.903 6.641 486 HB2 GLU 61 2HB GLU 61 5.022 6.863 8.379 487 HB3 GLU 61 1HB GLU 61 4.242 8.422 8.187 488 HG2 GLU 61 2HG GLU 61 2.208 7.614 9.064 489 HG3 GLU 61 1HG GLU 61 2.766 5.943 8.989 490 H TYR 62 H TYR 62 1.766 5.712 5.846 491 HA TYR 62 HA TYR 62 0.141 8.129 5.417 492 HB2 TYR 62 2HB TYR 62 0.057 5.522 3.897 493 HB3 TYR 62 1HB TYR 62 -1.037 6.867 3.656 494 HD1 TYR 62 1HD TYR 62 2.610 6.064 3.565 495 HD2 TYR 62 2HD TYR 62 -0.557 8.437 2.017 496 HE1 TYR 62 1HE TYR 62 4.135 6.990 1.897 497 HE2 TYR 62 2HE TYR 62 0.976 9.386 0.341 498 HH TYR 62 HH TYR 62 4.162 8.113 -0.133 499 H ILE 63 H ILE 63 -1.631 8.272 6.479 500 HA ILE 63 HA ILE 63 -2.732 5.874 7.782 501 HB ILE 63 HB ILE 63 -3.129 8.794 8.527 502 HG12 ILE 63 2HG1 ILE 63 -1.581 6.604 9.944 503 HG13 ILE 63 1HG1 ILE 63 -0.877 7.966 9.090 504 HG21 ILE 63 1HG2 ILE 63 -4.144 6.278 9.859 505 HG22 ILE 63 2HG2 ILE 63 -5.114 7.461 8.995 506 HG23 ILE 63 3HG2 ILE 63 -4.314 7.912 10.506 507 HD11 ILE 63 3HD1 ILE 63 -0.840 8.298 11.497 508 HD12 ILE 63 1HD1 ILE 63 -2.593 8.136 11.560 509 HD13 ILE 63 2HD1 ILE 63 -1.864 9.497 10.711 510 H ILE 64 H ILE 64 -4.458 5.103 6.729 511 HA ILE 64 HA ILE 64 -6.133 7.051 5.340 512 HB ILE 64 HB ILE 64 -5.857 4.105 4.628 513 HG12 ILE 64 2HG1 ILE 64 -4.895 5.147 2.414 514 HG13 ILE 64 1HG1 ILE 64 -4.548 6.538 3.439 515 HG21 ILE 64 1HG2 ILE 64 -8.029 5.021 4.134 516 HG22 ILE 64 2HG2 ILE 64 -7.155 4.699 2.637 517 HG23 ILE 64 3HG2 ILE 64 -7.303 6.354 3.237 518 HD11 ILE 64 3HD1 ILE 64 -3.132 5.159 4.853 519 HD12 ILE 64 1HD1 ILE 64 -2.601 5.105 3.171 520 HD13 ILE 64 2HD1 ILE 64 -3.495 3.747 3.857 521 H THR 65 H THR 65 -7.863 7.379 6.460 522 HA THR 65 HA THR 65 -8.864 5.248 8.186 523 HB THR 65 HB THR 65 -9.583 8.186 8.234 524 HG1 THR 65 1HG THR 65 -7.889 6.990 10.162 525 HG21 THR 65 3HG2 THR 65 -11.200 6.684 9.302 526 HG22 THR 65 1HG2 THR 65 -10.362 7.673 10.497 527 HG23 THR 65 2HG2 THR 65 -9.907 5.981 10.272 528 H LEU 66 H LEU 66 -10.540 4.162 7.507 529 HA LEU 66 HA LEU 66 -12.518 5.378 5.696 530 HB2 LEU 66 2HB LEU 66 -11.565 2.565 6.075 531 HB3 LEU 66 1HB LEU 66 -13.212 2.822 5.571 532 HG LEU 66 HG LEU 66 -11.816 2.314 3.661 533 HD11 LEU 66 1HD1 LEU 66 -13.677 3.714 3.272 534 HD12 LEU 66 2HD1 LEU 66 -12.331 4.190 2.236 535 HD13 LEU 66 3HD1 LEU 66 -12.730 5.145 3.666 536 HD21 LEU 66 3HD2 LEU 66 -10.243 4.775 4.389 537 HD22 LEU 66 1HD2 LEU 66 -10.037 3.811 2.925 538 HD23 LEU 66 2HD2 LEU 66 -9.671 3.108 4.501 539 H GLY 67 H GLY 67 -14.749 4.564 6.038 540 HA2 GLY 67 2HA GLY 67 -15.503 4.747 8.801 541 HA3 GLY 67 1HA GLY 67 -16.594 4.498 7.434 542 H VAL 68 H VAL 68 -16.912 3.056 9.773 543 HA VAL 68 HA VAL 68 -15.493 0.648 9.832 544 HB VAL 68 HB VAL 68 -16.694 1.406 11.767 545 HG11 VAL 68 1HG1 VAL 68 -18.679 2.387 10.769 546 HG12 VAL 68 2HG1 VAL 68 -19.151 1.198 11.985 547 HG13 VAL 68 3HG1 VAL 68 -19.242 0.793 10.272 548 HG21 VAL 68 3HG2 VAL 68 -17.697 -1.273 10.815 549 HG22 VAL 68 1HG2 VAL 68 -17.752 -0.718 12.488 550 HG23 VAL 68 2HG2 VAL 68 -16.200 -0.954 11.689 551 H HIS 69 H HIS 69 -18.502 1.421 8.159 552 HA HIS 69 HA HIS 69 -18.873 -1.282 7.345 553 HB2 HIS 69 2HB HIS 69 -20.805 0.240 7.584 554 HB3 HIS 69 1HB HIS 69 -20.185 1.233 6.275 555 HD1 HIS 69 1HD HIS 69 -21.704 0.830 4.276 556 HD2 HIS 69 2HD HIS 69 -20.891 -2.662 6.389 557 HE1 HIS 69 1HE HIS 69 -22.820 -1.025 3.018 558 H ASP 70 H ASP 70 -17.010 1.349 6.185 559 HA ASP 70 HA ASP 70 -16.700 0.195 3.573 560 HB2 ASP 70 2HB ASP 70 -15.240 2.457 4.921 561 HB3 ASP 70 1HB ASP 70 -14.798 1.847 3.327 562 H PHE 71 H PHE 71 -14.966 0.239 6.617 563 HA PHE 71 HA PHE 71 -12.664 -1.078 5.784 564 HB2 PHE 71 2HB PHE 71 -13.109 0.075 7.996 565 HB3 PHE 71 1HB PHE 71 -14.019 -1.350 8.471 566 HD1 PHE 71 2HD PHE 71 -12.881 -3.440 8.926 567 HD2 PHE 71 1HD PHE 71 -10.751 0.043 7.816 568 HE1 PHE 71 2HE PHE 71 -10.780 -4.489 9.694 569 HE2 PHE 71 1HE PHE 71 -8.641 -0.989 8.579 570 HZ PHE 71 HZ PHE 71 -8.678 -3.270 9.530 571 H GLU 72 H GLU 72 -15.859 -2.217 6.608 572 HA GLU 72 HA GLU 72 -15.417 -4.941 6.757 573 HB2 GLU 72 2HB GLU 72 -17.820 -3.445 5.743 574 HB3 GLU 72 1HB GLU 72 -17.791 -5.166 6.088 575 HG2 GLU 72 2HG GLU 72 -17.292 -2.960 8.080 576 HG3 GLU 72 1HG GLU 72 -18.779 -3.895 7.923 577 H LYS 73 H LYS 73 -15.632 -2.890 3.888 578 HA LYS 73 HA LYS 73 -15.601 -5.235 2.200 579 HB2 LYS 73 2HB LYS 73 -15.493 -2.303 1.482 580 HB3 LYS 73 1HB LYS 73 -15.264 -3.568 0.301 581 HG2 LYS 73 2HG LYS 73 -17.484 -3.171 -0.029 582 HG3 LYS 73 1HG LYS 73 -17.613 -4.376 1.239 583 HD2 LYS 73 2HD LYS 73 -19.116 -2.584 1.749 584 HD3 LYS 73 1HD LYS 73 -17.775 -2.503 2.890 585 HE2 LYS 73 2HE LYS 73 -16.750 -0.687 1.652 586 HE3 LYS 73 1HE LYS 73 -17.940 -0.847 0.366 587 HZ1 LYS 73 3HZ LYS 73 -19.609 0.003 1.713 588 HZ2 LYS 73 1HZ LYS 73 -18.288 1.011 1.997 589 HZ3 LYS 73 2HZ LYS 73 -18.706 -0.166 3.147 590 H LEU 74 H LEU 74 -13.366 -3.034 3.588 591 HA LEU 74 HA LEU 74 -11.179 -3.480 1.840 592 HB2 LEU 74 2HB LEU 74 -11.145 -2.755 4.771 593 HB3 LEU 74 1HB LEU 74 -9.751 -2.725 3.720 594 HG LEU 74 HG LEU 74 -12.175 -0.939 3.515 595 HD11 LEU 74 1HD1 LEU 74 -10.730 -0.405 5.398 596 HD12 LEU 74 2HD1 LEU 74 -10.578 0.821 4.139 597 HD13 LEU 74 3HD1 LEU 74 -9.327 -0.401 4.333 598 HD21 LEU 74 3HD2 LEU 74 -11.264 -1.402 1.292 599 HD22 LEU 74 1HD2 LEU 74 -9.643 -0.994 1.862 600 HD23 LEU 74 2HD2 LEU 74 -10.889 0.247 1.785 601 H GLY 75 H GLY 75 -12.303 -5.097 4.740 602 HA2 GLY 75 2HA GLY 75 -11.924 -7.605 4.345 603 HA3 GLY 75 1HA GLY 75 -10.233 -7.125 4.355 604 H ALA 76 H ALA 76 -11.039 -8.936 6.143 605 HA ALA 76 HA ALA 76 -11.705 -7.644 8.633 606 HB1 ALA 76 1HB ALA 76 -10.900 -10.499 8.080 607 HB2 ALA 76 2HB ALA 76 -12.555 -9.894 8.123 608 HB3 ALA 76 3HB ALA 76 -11.574 -9.881 9.588 609 H ASP 77 H ASP 77 -8.918 -8.799 6.961 610 HA ASP 77 HA ASP 77 -7.216 -8.340 9.310 611 HB2 ASP 77 2HB ASP 77 -6.585 -9.793 6.733 612 HB3 ASP 77 1HB ASP 77 -5.515 -9.630 8.118 613 HA PRO 78 HA PRO 78 -6.371 -4.653 6.880 614 HB2 PRO 78 2HB PRO 78 -5.192 -3.232 8.854 615 HB3 PRO 78 1HB PRO 78 -6.939 -3.372 8.670 616 HG2 PRO 78 2HG PRO 78 -5.105 -4.772 10.562 617 HG3 PRO 78 1HG PRO 78 -6.761 -4.206 10.825 618 HD2 PRO 78 2HD PRO 78 -6.064 -6.824 10.316 619 HD3 PRO 78 1HD PRO 78 -7.669 -6.135 10.000 620 H GLU 79 H GLU 79 -4.123 -6.694 8.507 621 HA GLU 79 HA GLU 79 -1.877 -5.125 8.005 622 HB2 GLU 79 2HB GLU 79 -0.553 -7.310 8.513 623 HB3 GLU 79 1HB GLU 79 -1.451 -6.493 9.774 624 HG2 GLU 79 2HG GLU 79 -1.771 -8.844 9.999 625 HG3 GLU 79 1HG GLU 79 -3.289 -8.137 9.459 626 H LEU 80 H LEU 80 -2.911 -7.993 6.140 627 HA LEU 80 HA LEU 80 -0.903 -7.655 4.197 628 HB2 LEU 80 2HB LEU 80 -3.612 -8.937 4.007 629 HB3 LEU 80 1HB LEU 80 -2.440 -8.961 2.714 630 HG LEU 80 HG LEU 80 -2.138 -10.245 5.420 631 HD11 LEU 80 1HD1 LEU 80 -2.211 -12.326 4.114 632 HD12 LEU 80 2HD1 LEU 80 -2.521 -11.387 2.657 633 HD13 LEU 80 3HD1 LEU 80 -3.702 -11.398 3.965 634 HD21 LEU 80 3HD2 LEU 80 -0.256 -10.195 3.050 635 HD22 LEU 80 1HD2 LEU 80 -0.072 -11.222 4.473 636 HD23 LEU 80 2HD2 LEU 80 0.032 -9.477 4.638 637 H LYS 81 H LYS 81 -4.077 -6.276 4.548 638 HA LYS 81 HA LYS 81 -4.337 -5.287 1.902 639 HB2 LYS 81 2HB LYS 81 -5.544 -4.033 4.372 640 HB3 LYS 81 1HB LYS 81 -6.133 -3.910 2.725 641 HG2 LYS 81 2HG LYS 81 -6.126 -6.385 4.443 642 HG3 LYS 81 1HG LYS 81 -7.522 -5.397 4.036 643 HD2 LYS 81 2HD LYS 81 -7.275 -6.008 1.678 644 HD3 LYS 81 1HD LYS 81 -5.843 -6.966 2.075 645 HE2 LYS 81 2HE LYS 81 -7.185 -8.414 3.508 646 HE3 LYS 81 1HE LYS 81 -8.607 -7.437 3.180 647 HZ1 LYS 81 3HZ LYS 81 -7.111 -9.026 1.172 648 HZ2 LYS 81 1HZ LYS 81 -8.488 -8.106 0.860 649 HZ3 LYS 81 2HZ LYS 81 -8.587 -9.434 1.868 650 H SER 82 H SER 82 -3.155 -3.838 4.888 651 HA SER 82 HA SER 82 -2.572 -1.323 3.737 652 HB2 SER 82 2HB SER 82 -1.612 -2.608 6.287 653 HB3 SER 82 1HB SER 82 -1.473 -0.894 5.892 654 HG SER 82 HG SER 82 -3.699 -2.448 6.526 655 H THR 83 H THR 83 -0.525 -4.114 4.665 656 HA THR 83 HA THR 83 1.867 -2.896 3.866 657 HB THR 83 HB THR 83 1.209 -5.832 4.219 658 HG1 THR 83 1HG THR 83 0.815 -4.850 6.136 659 HG21 THR 83 3HG2 THR 83 3.619 -6.086 4.667 660 HG22 THR 83 1HG2 THR 83 3.860 -4.374 4.313 661 HG23 THR 83 2HG2 THR 83 3.339 -5.472 3.033 662 H GLY 84 H GLY 84 -0.464 -4.909 2.096 663 HA2 GLY 84 2HA GLY 84 1.112 -5.317 -0.203 664 HA3 GLY 84 1HA GLY 84 -0.646 -5.398 -0.111 665 H PHE 85 H PHE 85 -1.304 -2.856 0.635 666 HA PHE 85 HA PHE 85 -1.171 -1.458 -1.833 667 HB2 PHE 85 2HB PHE 85 -2.948 -1.429 0.089 668 HB3 PHE 85 1HB PHE 85 -1.932 -0.176 0.777 669 HD1 PHE 85 2HD PHE 85 -4.090 -1.090 -2.039 670 HD2 PHE 85 1HD PHE 85 -1.927 2.062 -0.167 671 HE1 PHE 85 2HE PHE 85 -5.281 0.549 -3.429 672 HE2 PHE 85 1HE PHE 85 -3.144 3.706 -1.584 673 HZ PHE 85 HZ PHE 85 -4.796 2.941 -3.195 674 H ALA 86 H ALA 86 0.649 -1.346 1.151 675 HA ALA 86 HA ALA 86 2.040 1.060 0.711 676 HB1 ALA 86 1HB ALA 86 2.022 -0.087 2.904 677 HB2 ALA 86 2HB ALA 86 3.659 0.250 2.353 678 HB3 ALA 86 3HB ALA 86 3.005 -1.380 2.219 679 H ARG 87 H ARG 87 2.584 -2.248 -0.425 680 HA ARG 87 HA ARG 87 5.135 -1.823 -1.504 681 HB2 ARG 87 2HB ARG 87 2.961 -3.797 -2.198 682 HB3 ARG 87 1HB ARG 87 4.588 -3.845 -2.853 683 HG2 ARG 87 2HG ARG 87 5.502 -4.206 -0.634 684 HG3 ARG 87 1HG ARG 87 3.887 -4.073 0.067 685 HD2 ARG 87 2HD ARG 87 3.178 -6.044 -1.173 686 HD3 ARG 87 1HD ARG 87 4.771 -6.163 -1.918 687 HE ARG 87 HE ARG 87 5.193 -6.163 0.797 688 HH11 ARG 87 1HH1 ARG 87 3.464 -8.238 -1.468 689 HH12 ARG 87 2HH1 ARG 87 3.721 -9.681 -0.607 690 HH21 ARG 87 1HH2 ARG 87 5.534 -8.139 2.036 691 HH22 ARG 87 2HH2 ARG 87 4.924 -9.612 1.470 692 H ASP 88 H ASP 88 1.867 -1.563 -2.838 693 HA ASP 88 HA ASP 88 2.603 -0.828 -5.467 694 HB2 ASP 88 2HB ASP 88 0.126 -0.047 -3.901 695 HB3 ASP 88 1HB ASP 88 0.349 0.292 -5.607 696 H LEU 89 H LEU 89 2.227 1.034 -2.543 697 HA LEU 89 HA LEU 89 2.528 3.555 -3.825 698 HB2 LEU 89 2HB LEU 89 1.359 3.110 -1.612 699 HB3 LEU 89 1HB LEU 89 2.936 2.933 -0.891 700 HG LEU 89 HG LEU 89 1.814 5.129 -0.463 701 HD11 LEU 89 1HD1 LEU 89 4.177 5.023 -0.186 702 HD12 LEU 89 2HD1 LEU 89 3.751 6.558 -0.948 703 HD13 LEU 89 3HD1 LEU 89 4.435 5.250 -1.915 704 HD21 LEU 89 3HD2 LEU 89 1.738 6.802 -2.220 705 HD22 LEU 89 1HD2 LEU 89 0.744 5.406 -2.634 706 HD23 LEU 89 2HD2 LEU 89 2.322 5.621 -3.392 707 H ALA 90 H ALA 90 4.746 1.357 -2.135 708 HA ALA 90 HA ALA 90 7.077 2.923 -2.195 709 HB1 ALA 90 1HB ALA 90 6.972 0.769 -0.979 710 HB2 ALA 90 2HB ALA 90 8.322 0.799 -2.102 711 HB3 ALA 90 3HB ALA 90 6.852 -0.080 -2.520 712 H ASP 91 H ASP 91 5.658 0.760 -4.481 713 HA ASP 91 HA ASP 91 7.505 0.822 -6.571 714 HB2 ASP 91 2HB ASP 91 5.557 -0.696 -6.374 715 HB3 ASP 91 1HB ASP 91 4.488 0.656 -6.698 716 H TYR 92 H TYR 92 4.606 2.811 -6.038 717 HA TYR 92 HA TYR 92 4.870 4.573 -8.164 718 HB2 TYR 92 2HB TYR 92 3.496 4.745 -5.551 719 HB3 TYR 92 1HB TYR 92 3.764 6.251 -6.405 720 HD1 TYR 92 2HD TYR 92 2.956 6.360 -8.841 721 HD2 TYR 92 1HD TYR 92 1.638 3.427 -6.059 722 HE1 TYR 92 2HE TYR 92 0.913 6.028 -10.172 723 HE2 TYR 92 1HE TYR 92 -0.403 3.072 -7.386 724 HH TYR 92 HH TYR 92 -0.786 4.299 -10.531 725 H ILE 93 H ILE 93 6.097 5.100 -4.841 726 HA ILE 93 HA ILE 93 7.164 7.623 -5.499 727 HB ILE 93 HB ILE 93 8.514 7.516 -3.412 728 HG12 ILE 93 2HG1 ILE 93 7.298 4.753 -3.104 729 HG13 ILE 93 1HG1 ILE 93 8.986 5.079 -3.431 730 HG21 ILE 93 1HG2 ILE 93 6.252 8.351 -3.340 731 HG22 ILE 93 2HG2 ILE 93 6.603 7.449 -1.866 732 HG23 ILE 93 3HG2 ILE 93 5.626 6.716 -3.141 733 HD11 ILE 93 3HD1 ILE 93 9.199 6.198 -1.263 734 HD12 ILE 93 1HD1 ILE 93 8.636 4.537 -1.087 735 HD13 ILE 93 2HD1 ILE 93 7.496 5.874 -0.932 736 H GLN 94 H GLN 94 8.570 4.438 -5.670 737 HA GLN 94 HA GLN 94 11.176 5.298 -6.286 738 HB2 GLN 94 2HB GLN 94 9.711 2.726 -6.724 739 HB3 GLN 94 1HB GLN 94 11.357 2.963 -7.303 740 HG2 GLN 94 2HG GLN 94 12.112 3.379 -5.014 741 HG3 GLN 94 1HG GLN 94 10.455 3.286 -4.429 742 HE21 GLN 94 1HE2 GLN 94 10.999 1.652 -2.987 743 HE22 GLN 94 2HE2 GLN 94 11.300 0.041 -3.497 744 H GLU 95 H GLU 95 8.329 4.634 -8.277 745 HA GLU 95 HA GLU 95 9.515 4.798 -10.753 746 HB2 GLU 95 2HB GLU 95 6.789 5.507 -9.768 747 HB3 GLU 95 1HB GLU 95 7.144 5.621 -11.460 748 HG2 GLU 95 2HG GLU 95 7.745 3.158 -11.326 749 HG3 GLU 95 1HG GLU 95 7.043 3.196 -9.702 750 H GLN 96 H GLN 96 8.291 7.227 -8.570 751 HA GLN 96 HA GLN 96 8.542 9.449 -10.416 752 HB2 GLN 96 2HB GLN 96 8.144 9.588 -7.441 753 HB3 GLN 96 1HB GLN 96 7.743 10.806 -8.640 754 HG2 GLN 96 2HG GLN 96 6.406 8.138 -8.266 755 HG3 GLN 96 1HG GLN 96 5.748 9.713 -7.842 756 HE21 GLN 96 1HE2 GLN 96 4.834 7.582 -9.622 757 HE22 GLN 96 2HE2 GLN 96 4.557 8.316 -11.149 758 H GLY 97 H GLY 97 10.685 7.740 -8.531 759 HA2 GLY 97 2HA GLY 97 12.968 8.054 -8.430 760 HA3 GLY 97 1HA GLY 97 12.758 9.685 -9.050 761 H TRP 98 H TRP 98 10.843 8.699 -6.355 762 HA TRP 98 HA TRP 98 12.407 10.542 -4.703 763 HB2 TRP 98 2HB TRP 98 9.624 9.454 -4.210 764 HB3 TRP 98 1HB TRP 98 10.442 10.716 -3.303 765 HD1 TRP 98 HD TRP 98 11.410 12.455 -5.886 766 HE1 TRP 98 1HE TRP 98 9.607 13.815 -7.163 767 HE3 TRP 98 3HE TRP 98 7.221 9.959 -4.356 768 HZ2 TRP 98 2HZ TRP 98 6.842 13.835 -7.457 769 HZ3 TRP 98 3HZ TRP 98 5.033 10.723 -5.181 770 HH2 TRP 98 HH TRP 98 4.849 12.617 -6.698 771 H GLN 99 H GLN 99 12.683 9.882 -2.429 772 HA GLN 99 HA GLN 99 12.606 6.980 -2.037 773 HB2 GLN 99 2HB GLN 99 14.818 7.003 -0.973 774 HB3 GLN 99 1HB GLN 99 14.947 7.584 -2.626 775 HG2 GLN 99 2HG GLN 99 15.096 9.871 -1.842 776 HG3 GLN 99 1HG GLN 99 14.842 9.342 -0.183 777 HE21 GLN 99 1HE2 GLN 99 17.075 10.814 -1.315 778 HE22 GLN 99 2HE2 GLN 99 18.470 9.874 -1.022 779 H THR 100 H THR 100 12.953 6.571 0.442 780 HA THR 100 HA THR 100 12.230 8.868 2.018 781 HB THR 100 HB THR 100 10.067 7.844 1.229 782 HG1 THR 100 1HG THR 100 9.585 8.831 2.954 783 HG21 THR 100 3HG2 THR 100 10.752 5.470 1.255 784 HG22 THR 100 1HG2 THR 100 9.327 5.728 2.266 785 HG23 THR 100 2HG2 THR 100 10.912 5.540 3.009 786 H TYR 101 H TYR 101 12.189 8.192 4.425 787 HA TYR 101 HA TYR 101 14.438 6.330 4.779 788 HB2 TYR 101 2HB TYR 101 13.591 8.591 6.604 789 HB3 TYR 101 1HB TYR 101 14.927 7.490 6.899 790 HD1 TYR 101 1HD TYR 101 16.587 7.373 4.718 791 HD2 TYR 101 2HD TYR 101 14.181 10.670 5.902 792 HE1 TYR 101 1HE TYR 101 18.101 8.896 3.528 793 HE2 TYR 101 2HE TYR 101 15.687 12.201 4.713 794 HH TYR 101 HH TYR 101 17.922 12.284 3.934 795 H GLY 102 H GLY 102 13.946 4.479 5.665 796 HA2 GLY 102 2HA GLY 102 13.092 3.325 7.603 797 HA3 GLY 102 1HA GLY 102 11.720 4.435 7.576 798 H ASP 103 H ASP 103 10.205 2.806 7.417 799 HA ASP 103 HA ASP 103 10.276 1.179 4.960 800 HB2 ASP 103 2HB ASP 103 10.025 0.190 7.416 801 HB3 ASP 103 1HB ASP 103 8.380 0.775 7.234 802 H VAL 104 H VAL 104 8.489 1.430 3.584 803 HA VAL 104 HA VAL 104 6.836 3.697 4.217 804 HB VAL 104 HB VAL 104 7.588 3.414 1.821 805 HG11 VAL 104 1HG1 VAL 104 5.847 1.002 1.841 806 HG12 VAL 104 2HG1 VAL 104 7.577 1.108 1.450 807 HG13 VAL 104 3HG1 VAL 104 6.358 1.877 0.414 808 HG21 VAL 104 3HG2 VAL 104 5.643 4.774 2.288 809 HG22 VAL 104 1HG2 VAL 104 4.604 3.346 2.191 810 HG23 VAL 104 2HG2 VAL 104 5.476 3.907 0.760 811 H VAL 105 H VAL 105 5.166 3.587 5.383 812 HA VAL 105 HA VAL 105 3.709 1.072 5.498 813 HB VAL 105 HB VAL 105 3.211 1.563 7.912 814 HG11 VAL 105 1HG1 VAL 105 4.913 -0.051 7.322 815 HG12 VAL 105 2HG1 VAL 105 5.393 0.837 8.772 816 HG13 VAL 105 3HG1 VAL 105 6.121 1.227 7.212 817 HG21 VAL 105 3HG2 VAL 105 4.682 3.123 9.139 818 HG22 VAL 105 1HG2 VAL 105 3.686 3.964 7.948 819 HG23 VAL 105 2HG2 VAL 105 5.386 3.646 7.609 820 H VAL 106 H VAL 106 1.717 1.278 4.811 821 HA VAL 106 HA VAL 106 0.372 3.767 5.373 822 HB VAL 106 HB VAL 106 -0.867 3.580 3.411 823 HG11 VAL 106 1HG1 VAL 106 1.880 2.726 2.579 824 HG12 VAL 106 2HG1 VAL 106 1.319 4.371 2.854 825 HG13 VAL 106 3HG1 VAL 106 0.674 3.432 1.504 826 HG21 VAL 106 3HG2 VAL 106 -1.507 1.251 3.431 827 HG22 VAL 106 1HG2 VAL 106 0.119 0.763 2.959 828 HG23 VAL 106 2HG2 VAL 106 -0.888 1.664 1.832 829 H ARG 107 H ARG 107 -1.577 3.416 6.445 830 HA ARG 107 HA ARG 107 -2.386 0.660 6.600 831 HB2 ARG 107 2HB ARG 107 -2.728 0.580 9.014 832 HB3 ARG 107 1HB ARG 107 -1.043 0.800 8.616 833 HG2 ARG 107 2HG ARG 107 -2.816 3.080 9.459 834 HG3 ARG 107 1HG ARG 107 -1.968 2.059 10.614 835 HD2 ARG 107 2HD ARG 107 0.169 2.688 9.473 836 HD3 ARG 107 1HD ARG 107 -0.758 3.828 8.492 837 HE ARG 107 HE ARG 107 -1.496 4.625 10.859 838 HH11 ARG 107 1HH1 ARG 107 1.812 3.653 9.982 839 HH12 ARG 107 2HH1 ARG 107 2.556 4.805 11.003 840 HH21 ARG 107 1HH2 ARG 107 -0.450 6.095 12.346 841 HH22 ARG 107 2HH2 ARG 107 1.242 6.170 12.416 842 H PHE 108 H PHE 108 -4.335 0.219 6.594 843 HA PHE 108 HA PHE 108 -6.214 2.422 6.367 844 HB2 PHE 108 2HB PHE 108 -6.544 -0.550 5.866 845 HB3 PHE 108 1HB PHE 108 -7.796 0.654 5.615 846 HD1 PHE 108 2HD PHE 108 -7.632 2.245 3.776 847 HD2 PHE 108 1HD PHE 108 -4.745 -0.826 4.313 848 HE1 PHE 108 2HE PHE 108 -6.848 2.589 1.474 849 HE2 PHE 108 1HE PHE 108 -3.954 -0.490 2.012 850 HZ PHE 108 HZ PHE 108 -5.004 1.220 0.590 851 H GLU 109 H GLU 109 -7.310 2.998 8.028 852 HA GLU 109 HA GLU 109 -7.877 1.032 10.116 853 HB2 GLU 109 2HB GLU 109 -7.798 2.918 11.743 854 HB3 GLU 109 1HB GLU 109 -6.242 2.524 11.026 855 HG2 GLU 109 2HG GLU 109 -6.292 4.446 9.645 856 HG3 GLU 109 1HG GLU 109 -7.992 4.737 10.010 857 H GLN 110 H GLN 110 -9.691 1.886 11.512 858 HA GLN 110 HA GLN 110 -11.729 3.098 9.808 859 HB2 GLN 110 2HB GLN 110 -13.381 1.733 11.036 860 HB3 GLN 110 1HB GLN 110 -12.275 0.734 10.083 861 HG2 GLN 110 2HG GLN 110 -10.984 0.371 12.167 862 HG3 GLN 110 1HG GLN 110 -12.245 1.223 13.046 863 HE21 GLN 110 1HE2 GLN 110 -14.236 0.243 13.320 864 HE22 GLN 110 2HE2 GLN 110 -14.477 -1.439 13.009 865 H SER 111 H SER 111 -13.299 4.288 11.011 866 HA SER 111 HA SER 111 -12.542 4.917 13.727 867 HB2 SER 111 2HB SER 111 -11.319 6.502 12.281 868 HB3 SER 111 1HB SER 111 -12.840 6.990 11.555 869 HG SER 111 HG SER 111 -11.677 7.866 13.746 870 H SER 112 H SER 112 -14.270 5.548 14.916 871 HA SER 112 HA SER 112 -16.902 5.301 13.814 872 HB2 SER 112 2HB SER 112 -16.058 6.370 16.508 873 HB3 SER 112 1HB SER 112 -17.616 5.650 16.079 874 HG SER 112 HG SER 112 -16.625 3.698 15.801 875 H ASN 113 H ASN 113 -14.562 7.761 14.335 876 HA ASN 113 HA ASN 113 -16.400 9.982 14.373 877 HB2 ASN 113 2HB ASN 113 -14.250 10.065 15.615 878 HB3 ASN 113 1HB ASN 113 -13.378 9.941 14.093 879 HD21 ASN 113 1HD2 ASN 113 -13.169 11.763 12.809 880 HD22 ASN 113 2HD2 ASN 113 -13.645 13.327 13.323 881 H LEU 114 H LEU 114 -14.490 8.247 12.088 882 HA LEU 114 HA LEU 114 -15.167 10.072 9.913 883 HB2 LEU 114 2HB LEU 114 -12.853 8.934 10.211 884 HB3 LEU 114 1HB LEU 114 -13.665 7.444 9.806 885 HG LEU 114 HG LEU 114 -12.310 8.419 7.964 886 HD11 LEU 114 1HD1 LEU 114 -13.934 8.104 6.195 887 HD12 LEU 114 2HD1 LEU 114 -15.235 8.158 7.387 888 HD13 LEU 114 3HD1 LEU 114 -14.044 6.860 7.438 889 HD21 LEU 114 3HD2 LEU 114 -13.171 10.324 6.716 890 HD22 LEU 114 1HD2 LEU 114 -12.733 10.777 8.362 891 HD23 LEU 114 2HD2 LEU 114 -14.429 10.559 7.925 892 H HIS 115 H HIS 115 -16.831 9.600 8.508 893 HA HIS 115 HA HIS 115 -18.508 7.350 9.370 894 HB2 HIS 115 2HB HIS 115 -19.463 9.713 9.347 895 HB3 HIS 115 1HB HIS 115 -19.230 9.658 7.600 896 HD1 HIS 115 1HD HIS 115 -21.292 9.089 6.333 897 HD2 HIS 115 2HD HIS 115 -21.275 7.454 10.148 898 HE1 HIS 115 1HE HIS 115 -23.471 7.884 6.572 899 H THR 116 H THR 116 -19.512 6.040 7.811 900 HA THR 116 HA THR 116 -17.840 5.042 5.801 901 HB THR 116 HB THR 116 -20.801 4.618 6.293 902 HG1 THR 116 1HG THR 116 -19.762 3.840 8.015 903 HG21 THR 116 3HG2 THR 116 -20.627 2.601 4.938 904 HG22 THR 116 1HG2 THR 116 -18.895 2.890 4.695 905 HG23 THR 116 2HG2 THR 116 -20.081 3.986 4.000 906 H GLY 117 H GLY 117 -17.820 5.263 3.633 907 HA2 GLY 117 2HA GLY 117 -18.604 6.033 1.518 908 HA3 GLY 117 1HA GLY 117 -19.661 7.168 2.355 909 H GLN 118 H GLN 118 -16.801 7.130 3.880 910 HA GLN 118 HA GLN 118 -15.682 9.387 2.382 911 HB2 GLN 118 2HB GLN 118 -16.320 9.123 5.284 912 HB3 GLN 118 1HB GLN 118 -15.246 10.383 4.764 913 HG2 GLN 118 2HG GLN 118 -17.079 11.277 3.357 914 HG3 GLN 118 1HG GLN 118 -18.111 9.979 3.959 915 HE21 GLN 118 1HE2 GLN 118 -17.033 10.103 6.594 916 HE22 GLN 118 2HE2 GLN 118 -17.677 11.544 7.335 917 H PHE 119 H PHE 119 -13.408 9.611 2.706 918 HA PHE 119 HA PHE 119 -12.069 7.791 4.448 919 HB2 PHE 119 2HB PHE 119 -10.730 6.676 2.805 920 HB3 PHE 119 1HB PHE 119 -12.381 6.541 2.243 921 HD1 PHE 119 1HD PHE 119 -13.160 7.951 0.329 922 HD2 PHE 119 2HD PHE 119 -9.078 7.765 1.520 923 HE1 PHE 119 1HE PHE 119 -12.477 8.851 -1.859 924 HE2 PHE 119 2HE PHE 119 -8.391 8.661 -0.635 925 HZ PHE 119 HZ PHE 119 -10.086 9.212 -2.346 926 H ARG 120 H ARG 120 -10.018 8.533 4.885 927 HA ARG 120 HA ARG 120 -9.167 10.950 3.527 928 HB2 ARG 120 2HB ARG 120 -9.436 10.685 6.528 929 HB3 ARG 120 1HB ARG 120 -8.481 11.941 5.759 930 HG2 ARG 120 2HG ARG 120 -10.555 12.709 4.608 931 HG3 ARG 120 1HG ARG 120 -11.457 11.529 5.559 932 HD2 ARG 120 2HD ARG 120 -11.579 13.745 6.577 933 HD3 ARG 120 1HD ARG 120 -10.706 12.624 7.613 934 HE ARG 120 HE ARG 120 -8.714 13.694 7.114 935 HH11 ARG 120 1HH1 ARG 120 -11.411 15.327 5.450 936 HH12 ARG 120 2HH1 ARG 120 -10.557 16.803 5.294 937 HH21 ARG 120 1HH2 ARG 120 -7.596 15.760 6.852 938 HH22 ARG 120 2HH2 ARG 120 -8.429 17.061 6.126 939 H ALA 121 H ALA 121 -6.999 11.098 3.298 940 HA ALA 121 HA ALA 121 -5.371 9.034 4.540 941 HB1 ALA 121 1HB ALA 121 -5.534 9.551 1.574 942 HB2 ALA 121 2HB ALA 121 -6.078 8.099 2.407 943 HB3 ALA 121 3HB ALA 121 -4.358 8.500 2.362 944 H ARG 122 H ARG 122 -3.713 10.031 5.426 945 HA ARG 122 HA ARG 122 -2.630 12.431 4.184 946 HB2 ARG 122 2HB ARG 122 -3.777 12.446 6.482 947 HB3 ARG 122 1HB ARG 122 -2.401 11.508 7.016 948 HG2 ARG 122 2HG ARG 122 -1.974 13.737 7.591 949 HG3 ARG 122 1HG ARG 122 -0.946 13.369 6.201 950 HD2 ARG 122 2HD ARG 122 -3.630 14.455 5.669 951 HD3 ARG 122 1HD ARG 122 -2.468 15.542 6.379 952 HE ARG 122 HE ARG 122 -2.102 14.145 3.770 953 HH11 ARG 122 1HH1 ARG 122 -1.472 17.001 5.753 954 HH12 ARG 122 2HH1 ARG 122 -0.944 17.957 4.451 955 HH21 ARG 122 1HH2 ARG 122 -1.503 15.409 2.030 956 HH22 ARG 122 2HH2 ARG 122 -0.866 16.981 2.199 957 H GLY 123 H GLY 123 -0.486 12.230 3.666 958 HA2 GLY 123 2HA GLY 123 0.981 9.908 4.743 959 HA3 GLY 123 1HA GLY 123 1.237 10.564 3.129 960 H THR 124 H THR 124 2.157 10.712 6.380 961 HA THR 124 HA THR 124 3.535 13.244 5.956 962 HB THR 124 HB THR 124 3.004 11.703 8.517 963 HG1 THR 124 1HG THR 124 1.083 12.420 7.824 964 HG21 THR 124 3HG2 THR 124 3.929 14.536 8.044 965 HG22 THR 124 1HG2 THR 124 4.928 13.208 8.635 966 HG23 THR 124 2HG2 THR 124 3.590 13.805 9.625 967 H VAL 125 H VAL 125 5.804 13.338 6.399 968 HA VAL 125 HA VAL 125 7.273 10.900 5.988 969 HB VAL 125 HB VAL 125 8.298 13.689 6.653 970 HG11 VAL 125 1HG1 VAL 125 9.920 11.958 7.204 971 HG12 VAL 125 2HG1 VAL 125 10.462 12.890 5.807 972 HG13 VAL 125 3HG1 VAL 125 9.772 11.282 5.581 973 HG21 VAL 125 3HG2 VAL 125 7.073 13.604 4.505 974 HG22 VAL 125 1HG2 VAL 125 8.161 12.324 3.967 975 HG23 VAL 125 2HG2 VAL 125 8.792 13.938 4.291 976 H ASN 126 H ASN 126 7.522 9.562 7.629 977 HA ASN 126 HA ASN 126 7.993 10.681 10.298 978 HB2 ASN 126 2HB ASN 126 5.925 9.395 10.318 979 HB3 ASN 126 1HB ASN 126 6.721 8.042 9.518 980 HD21 ASN 126 1HD2 ASN 126 6.134 6.645 11.235 981 HD22 ASN 126 2HD2 ASN 126 7.000 6.664 12.718 982 HA PRO 127 HA PRO 127 11.942 8.800 9.276 983 HB2 PRO 127 2HB PRO 127 13.352 9.940 11.293 984 HB3 PRO 127 1HB PRO 127 12.939 10.804 9.812 985 HG2 PRO 127 2HG PRO 127 11.627 10.918 12.494 986 HG3 PRO 127 1HG PRO 127 11.986 12.243 11.372 987 HD2 PRO 127 2HD PRO 127 9.527 11.113 11.639 988 HD3 PRO 127 1HD PRO 127 10.097 11.849 10.125 989 H ASP 128 H ASP 128 10.119 8.600 12.234 990 HA ASP 128 HA ASP 128 11.926 6.517 13.133 991 HB2 ASP 128 2HB ASP 128 11.582 8.315 14.810 992 HB3 ASP 128 1HB ASP 128 9.862 7.916 14.847 993 H VAL 129 H VAL 129 11.114 5.310 11.610 994 HA VAL 129 HA VAL 129 8.953 3.664 12.621 995 HB VAL 129 HB VAL 129 7.939 4.988 10.802 996 HG11 VAL 129 1HG1 VAL 129 8.708 4.789 8.487 997 HG12 VAL 129 2HG1 VAL 129 10.114 3.880 9.055 998 HG13 VAL 129 3HG1 VAL 129 9.889 5.560 9.546 999 HG21 VAL 129 3HG2 VAL 129 7.132 3.162 9.364 1000 HG22 VAL 129 1HG2 VAL 129 7.153 2.706 11.069 1001 HG23 VAL 129 2HG2 VAL 129 8.419 2.126 9.987 1002 H GLU 130 H GLU 130 9.491 1.610 12.632 1003 HA GLU 130 HA GLU 130 12.187 0.930 11.991 1004 HB2 GLU 130 2HB GLU 130 9.978 -0.898 12.955 1005 HB3 GLU 130 1HB GLU 130 11.677 -1.300 12.863 1006 HG2 GLU 130 2HG GLU 130 11.203 -0.876 15.119 1007 HG3 GLU 130 1HG GLU 130 12.098 0.522 14.533 1008 H THR 131 H THR 131 12.913 -0.430 10.489 1009 HA THR 131 HA THR 131 11.009 -1.578 8.645 1010 HB THR 131 HB THR 131 11.969 0.514 7.601 1011 HG1 THR 131 1HG THR 131 11.340 -1.230 6.244 1012 HG21 THR 131 3HG2 THR 131 14.593 -0.985 7.755 1013 HG22 THR 131 1HG2 THR 131 14.196 0.491 8.632 1014 HG23 THR 131 2HG2 THR 131 14.330 0.516 6.871 1015 H HIS 132 H HIS 132 11.615 -3.580 7.932 1016 HA HIS 132 HA HIS 132 13.711 -4.792 9.541 1017 HB2 HIS 132 2HB HIS 132 11.371 -6.058 8.099 1018 HB3 HIS 132 1HB HIS 132 12.526 -6.914 9.116 1019 HD1 HIS 132 1HD HIS 132 9.312 -5.180 9.271 1020 HD2 HIS 132 2HD HIS 132 12.431 -5.979 11.881 1021 HE1 HIS 132 1HE HIS 132 8.377 -4.865 11.589 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -18.634 -36.203 -11.345 2 H2 MET 1 2HT MET 1 -18.998 -35.056 -12.549 3 H3 MET 1 3HT MET 1 -19.651 -34.892 -11.028 4 HA MET 1 HA MET 1 -17.502 -34.511 -10.080 5 HB2 MET 1 2HB MET 1 -16.157 -35.848 -11.643 6 HB3 MET 1 1HB MET 1 -16.562 -34.752 -12.952 7 HG2 MET 1 2HG MET 1 -14.321 -34.332 -12.140 8 HG3 MET 1 1HG MET 1 -15.367 -32.948 -11.835 9 HE1 MET 1 2HE MET 1 -13.386 -35.945 -10.268 10 HE2 MET 1 3HE MET 1 -15.060 -36.380 -9.931 11 HE3 MET 1 1HE MET 1 -13.981 -35.940 -8.609 12 H GLY 2 H GLY 2 -17.893 -32.501 -9.471 13 HA2 GLY 2 2HA GLY 2 -18.849 -30.497 -11.280 14 HA3 GLY 2 1HA GLY 2 -18.453 -30.304 -9.572 15 H SER 3 H SER 3 -17.452 -29.633 -12.675 16 HA SER 3 HA SER 3 -14.661 -29.743 -12.326 17 HB2 SER 3 2HB SER 3 -16.300 -28.179 -14.306 18 HB3 SER 3 1HB SER 3 -14.614 -28.681 -14.479 19 HG SER 3 HG SER 3 -15.433 -30.862 -14.201 20 H GLN 4 H GLN 4 -13.224 -27.960 -12.123 21 HA GLN 4 HA GLN 4 -14.098 -25.927 -10.286 22 HB2 GLN 4 2HB GLN 4 -11.428 -26.392 -11.607 23 HB3 GLN 4 1HB GLN 4 -11.724 -25.208 -10.347 24 HG2 GLN 4 2HG GLN 4 -12.336 -27.024 -8.810 25 HG3 GLN 4 1HG GLN 4 -11.988 -28.196 -10.080 26 HE21 GLN 4 1HE2 GLN 4 -10.754 -27.830 -7.473 27 HE22 GLN 4 2HE2 GLN 4 -9.069 -27.614 -7.761 28 H LYS 5 H LYS 5 -15.095 -25.779 -13.152 29 HA LYS 5 HA LYS 5 -15.088 -23.023 -13.379 30 HB2 LYS 5 2HB LYS 5 -13.991 -22.700 -15.596 31 HB3 LYS 5 1HB LYS 5 -12.854 -23.133 -14.340 32 HG2 LYS 5 2HG LYS 5 -13.946 -25.119 -16.331 33 HG3 LYS 5 1HG LYS 5 -12.493 -24.173 -16.617 34 HD2 LYS 5 2HD LYS 5 -12.814 -25.940 -14.198 35 HD3 LYS 5 1HD LYS 5 -12.209 -26.554 -15.733 36 HE2 LYS 5 2HE LYS 5 -10.385 -26.018 -14.175 37 HE3 LYS 5 1HE LYS 5 -10.311 -25.032 -15.626 38 HZ1 LYS 5 3HZ LYS 5 -11.020 -23.144 -14.411 39 HZ2 LYS 5 1HZ LYS 5 -9.840 -23.855 -13.495 40 HZ3 LYS 5 2HZ LYS 5 -11.451 -24.003 -13.030 41 H ARG 6 H ARG 6 -16.585 -22.284 -14.825 42 HA ARG 6 HA ARG 6 -18.294 -24.372 -15.991 43 HB2 ARG 6 2HB ARG 6 -19.206 -22.803 -14.209 44 HB3 ARG 6 1HB ARG 6 -18.968 -21.489 -15.348 45 HG2 ARG 6 2HG ARG 6 -20.521 -22.645 -16.912 46 HG3 ARG 6 1HG ARG 6 -20.828 -23.841 -15.654 47 HD2 ARG 6 2HD ARG 6 -21.456 -20.893 -15.600 48 HD3 ARG 6 1HD ARG 6 -22.592 -22.237 -15.552 49 HE ARG 6 HE ARG 6 -20.653 -21.872 -13.385 50 HH11 ARG 6 1HH1 ARG 6 -24.072 -22.143 -14.343 51 HH12 ARG 6 2HH1 ARG 6 -24.622 -21.879 -12.740 52 HH21 ARG 6 1HH2 ARG 6 -21.439 -21.545 -11.285 53 HH22 ARG 6 2HH2 ARG 6 -23.126 -21.543 -10.979 54 H LEU 7 H LEU 7 -19.077 -23.926 -18.174 55 HA LEU 7 HA LEU 7 -17.195 -22.440 -19.753 56 HB2 LEU 7 2HB LEU 7 -19.687 -23.980 -20.515 57 HB3 LEU 7 1HB LEU 7 -18.715 -23.108 -21.671 58 HG LEU 7 HG LEU 7 -16.786 -24.614 -21.077 59 HD11 LEU 7 1HD1 LEU 7 -17.235 -26.737 -19.997 60 HD12 LEU 7 2HD1 LEU 7 -18.890 -26.235 -19.656 61 HD13 LEU 7 3HD1 LEU 7 -17.541 -25.395 -18.894 62 HD21 LEU 7 3HD2 LEU 7 -18.108 -24.932 -23.076 63 HD22 LEU 7 1HD2 LEU 7 -19.266 -25.905 -22.172 64 HD23 LEU 7 2HD2 LEU 7 -17.616 -26.483 -22.394 65 H VAL 8 H VAL 8 -17.356 -20.350 -19.532 66 HA VAL 8 HA VAL 8 -19.980 -19.094 -19.403 67 HB VAL 8 HB VAL 8 -17.253 -17.789 -19.091 68 HG11 VAL 8 1HG1 VAL 8 -18.477 -15.988 -18.006 69 HG12 VAL 8 2HG1 VAL 8 -19.997 -16.811 -18.359 70 HG13 VAL 8 3HG1 VAL 8 -18.986 -16.217 -19.678 71 HG21 VAL 8 3HG2 VAL 8 -17.543 -19.474 -17.371 72 HG22 VAL 8 1HG2 VAL 8 -19.123 -18.806 -16.961 73 HG23 VAL 8 2HG2 VAL 8 -17.664 -17.855 -16.676 74 H GLN 9 H GLN 9 -17.036 -17.968 -20.848 75 HA GLN 9 HA GLN 9 -17.962 -17.947 -23.558 76 HB2 GLN 9 2HB GLN 9 -17.508 -15.383 -21.988 77 HB3 GLN 9 1HB GLN 9 -17.341 -15.449 -23.732 78 HG2 GLN 9 2HG GLN 9 -19.857 -16.064 -22.197 79 HG3 GLN 9 1HG GLN 9 -19.501 -14.539 -23.008 80 HE21 GLN 9 1HE2 GLN 9 -20.367 -17.851 -23.422 81 HE22 GLN 9 2HE2 GLN 9 -20.757 -17.763 -25.108 82 H ARG 10 H ARG 10 -15.988 -16.647 -24.744 83 HA ARG 10 HA ARG 10 -13.739 -18.139 -24.009 84 HB2 ARG 10 2HB ARG 10 -12.484 -16.915 -25.716 85 HB3 ARG 10 1HB ARG 10 -14.033 -17.463 -26.317 86 HG2 ARG 10 2HG ARG 10 -14.923 -15.226 -26.030 87 HG3 ARG 10 1HG ARG 10 -13.347 -14.696 -25.434 88 HD2 ARG 10 2HD ARG 10 -13.855 -15.890 -28.159 89 HD3 ARG 10 1HD ARG 10 -13.665 -14.167 -27.835 90 HE ARG 10 HE ARG 10 -11.381 -14.725 -27.069 91 HH11 ARG 10 1HH1 ARG 10 -13.000 -16.976 -29.317 92 HH12 ARG 10 2HH1 ARG 10 -11.551 -17.569 -29.949 93 HH21 ARG 10 1HH2 ARG 10 -9.442 -15.552 -27.940 94 HH22 ARG 10 2HH2 ARG 10 -9.456 -16.780 -29.130 95 H VAL 11 H VAL 11 -12.434 -17.914 -22.469 96 HA VAL 11 HA VAL 11 -12.407 -15.516 -20.893 97 HB VAL 11 HB VAL 11 -10.715 -18.022 -20.535 98 HG11 VAL 11 1HG1 VAL 11 -11.456 -15.884 -18.563 99 HG12 VAL 11 2HG1 VAL 11 -9.869 -16.133 -19.290 100 HG13 VAL 11 3HG1 VAL 11 -10.543 -17.349 -18.204 101 HG21 VAL 11 3HG2 VAL 11 -13.077 -18.616 -20.527 102 HG22 VAL 11 1HG2 VAL 11 -13.394 -17.380 -19.313 103 HG23 VAL 11 2HG2 VAL 11 -12.392 -18.772 -18.909 104 H GLU 12 H GLU 12 -11.630 -14.124 -22.370 105 HA GLU 12 HA GLU 12 -9.072 -14.603 -23.647 106 HB2 GLU 12 2HB GLU 12 -11.042 -14.004 -24.970 107 HB3 GLU 12 1HB GLU 12 -11.141 -12.473 -24.118 108 HG2 GLU 12 2HG GLU 12 -10.120 -12.174 -26.281 109 HG3 GLU 12 1HG GLU 12 -8.941 -11.859 -25.004 110 H ARG 13 H ARG 13 -7.377 -13.967 -22.528 111 HA ARG 13 HA ARG 13 -5.753 -12.609 -21.718 112 HB2 ARG 13 2HB ARG 13 -6.551 -11.434 -23.842 113 HB3 ARG 13 1HB ARG 13 -7.422 -10.345 -22.785 114 HG2 ARG 13 2HG ARG 13 -5.378 -9.522 -21.842 115 HG3 ARG 13 1HG ARG 13 -4.446 -10.743 -22.719 116 HD2 ARG 13 2HD ARG 13 -5.231 -9.802 -24.838 117 HD3 ARG 13 1HD ARG 13 -6.096 -8.548 -23.953 118 HE ARG 13 HE ARG 13 -3.694 -8.108 -23.058 119 HH11 ARG 13 1HH1 ARG 13 -4.611 -8.940 -26.380 120 HH12 ARG 13 2HH1 ARG 13 -3.368 -8.018 -27.089 121 HH21 ARG 13 1HH2 ARG 13 -1.975 -6.834 -24.076 122 HH22 ARG 13 2HH2 ARG 13 -1.839 -6.829 -25.759 123 H LYS 14 H LYS 14 -7.901 -13.267 -19.930 124 HA LYS 14 HA LYS 14 -7.286 -11.621 -17.734 125 HB2 LYS 14 2HB LYS 14 -8.981 -10.168 -19.000 126 HB3 LYS 14 1HB LYS 14 -10.143 -11.454 -18.773 127 HG2 LYS 14 2HG LYS 14 -10.558 -9.746 -17.146 128 HG3 LYS 14 1HG LYS 14 -9.951 -11.173 -16.326 129 HD2 LYS 14 2HD LYS 14 -8.876 -9.329 -15.302 130 HD3 LYS 14 1HD LYS 14 -7.674 -10.057 -16.354 131 HE2 LYS 14 2HE LYS 14 -9.339 -7.661 -17.121 132 HE3 LYS 14 1HE LYS 14 -7.762 -7.530 -16.359 133 HZ1 LYS 14 3HZ LYS 14 -6.892 -8.799 -18.336 134 HZ2 LYS 14 1HZ LYS 14 -7.476 -7.248 -18.640 135 HZ3 LYS 14 2HZ LYS 14 -8.408 -8.564 -19.067 136 H LEU 15 H LEU 15 -7.812 -12.872 -15.879 137 HA LEU 15 HA LEU 15 -8.443 -15.581 -16.463 138 HB2 LEU 15 2HB LEU 15 -8.162 -15.988 -14.022 139 HB3 LEU 15 1HB LEU 15 -6.801 -15.220 -14.800 140 HG LEU 15 HG LEU 15 -7.711 -13.018 -13.836 141 HD11 LEU 15 1HD1 LEU 15 -9.053 -13.173 -11.826 142 HD12 LEU 15 2HD1 LEU 15 -9.254 -14.906 -12.089 143 HD13 LEU 15 3HD1 LEU 15 -9.931 -13.756 -13.241 144 HD21 LEU 15 3HD2 LEU 15 -6.688 -15.147 -11.979 145 HD22 LEU 15 1HD2 LEU 15 -6.635 -13.409 -11.686 146 HD23 LEU 15 2HD2 LEU 15 -5.711 -14.104 -13.015 147 H GLU 16 H GLU 16 -10.483 -13.070 -15.993 148 HA GLU 16 HA GLU 16 -12.748 -14.824 -15.673 149 HB2 GLU 16 2HB GLU 16 -13.775 -13.326 -13.985 150 HB3 GLU 16 1HB GLU 16 -12.311 -14.084 -13.374 151 HG2 GLU 16 2HG GLU 16 -11.066 -12.008 -13.820 152 HG3 GLU 16 1HG GLU 16 -12.554 -11.262 -14.398 153 H GLN 17 H GLN 17 -14.771 -13.410 -16.223 154 HA GLN 17 HA GLN 17 -13.837 -11.507 -18.218 155 HB2 GLN 17 2HB GLN 17 -16.311 -13.222 -18.256 156 HB3 GLN 17 1HB GLN 17 -16.001 -11.934 -19.431 157 HG2 GLN 17 2HG GLN 17 -14.184 -14.271 -18.883 158 HG3 GLN 17 1HG GLN 17 -15.275 -14.098 -20.266 159 HE21 GLN 17 1HE2 GLN 17 -12.216 -14.110 -19.800 160 HE22 GLN 17 2HE2 GLN 17 -11.669 -12.759 -20.733 161 H THR 18 H THR 18 -15.067 -11.541 -15.346 162 HA THR 18 HA THR 18 -16.453 -9.005 -15.599 163 HB THR 18 HB THR 18 -16.483 -9.359 -13.005 164 HG1 THR 18 1HG THR 18 -14.996 -11.047 -12.841 165 HG21 THR 18 3HG2 THR 18 -18.476 -9.593 -14.441 166 HG22 THR 18 1HG2 THR 18 -18.458 -10.826 -13.182 167 HG23 THR 18 2HG2 THR 18 -17.997 -11.243 -14.831 168 H VAL 19 H VAL 19 -15.576 -7.399 -13.725 169 HA VAL 19 HA VAL 19 -12.661 -7.464 -13.955 170 HB VAL 19 HB VAL 19 -14.379 -5.018 -13.420 171 HG11 VAL 19 1HG1 VAL 19 -12.122 -4.799 -12.529 172 HG12 VAL 19 2HG1 VAL 19 -12.334 -3.736 -13.920 173 HG13 VAL 19 3HG1 VAL 19 -11.443 -5.249 -14.093 174 HG21 VAL 19 3HG2 VAL 19 -13.049 -5.845 -15.994 175 HG22 VAL 19 1HG2 VAL 19 -13.894 -4.322 -15.723 176 HG23 VAL 19 2HG2 VAL 19 -14.783 -5.848 -15.682 177 H GLY 20 H GLY 20 -12.617 -8.928 -12.187 178 HA2 GLY 20 2HA GLY 20 -12.078 -9.355 -10.003 179 HA3 GLY 20 1HA GLY 20 -12.140 -7.622 -9.694 180 H ASP 21 H ASP 21 -14.324 -10.168 -10.639 181 HA ASP 21 HA ASP 21 -16.745 -9.125 -9.972 182 HB2 ASP 21 2HB ASP 21 -16.636 -11.209 -11.113 183 HB3 ASP 21 1HB ASP 21 -15.917 -11.995 -9.711 184 H ALA 22 H ALA 22 -14.855 -11.000 -7.761 185 HA ALA 22 HA ALA 22 -16.760 -10.968 -5.682 186 HB1 ALA 22 1HB ALA 22 -15.061 -11.830 -4.211 187 HB2 ALA 22 2HB ALA 22 -13.788 -11.324 -5.313 188 HB3 ALA 22 3HB ALA 22 -14.901 -12.613 -5.784 189 H PHE 23 H PHE 23 -13.806 -9.087 -5.916 190 HA PHE 23 HA PHE 23 -14.423 -7.531 -3.651 191 HB2 PHE 23 2HB PHE 23 -12.574 -7.252 -5.909 192 HB3 PHE 23 1HB PHE 23 -12.667 -5.929 -4.723 193 HD1 PHE 23 1HD PHE 23 -12.097 -6.496 -2.294 194 HD2 PHE 23 2HD PHE 23 -11.367 -9.199 -5.516 195 HE1 PHE 23 1HE PHE 23 -10.565 -7.765 -0.881 196 HE2 PHE 23 2HE PHE 23 -9.827 -10.473 -4.090 197 HZ PHE 23 HZ PHE 23 -9.425 -9.761 -1.770 198 H ALA 24 H ALA 24 -15.086 -7.032 -7.071 199 HA ALA 24 HA ALA 24 -15.974 -4.390 -6.902 200 HB1 ALA 24 1HB ALA 24 -15.500 -5.511 -9.034 201 HB2 ALA 24 2HB ALA 24 -17.113 -4.793 -9.023 202 HB3 ALA 24 3HB ALA 24 -16.918 -6.533 -8.804 203 H ARG 25 H ARG 25 -17.758 -7.447 -6.506 204 HA ARG 25 HA ARG 25 -20.171 -6.008 -6.067 205 HB2 ARG 25 2HB ARG 25 -21.236 -8.165 -5.776 206 HB3 ARG 25 1HB ARG 25 -20.202 -8.189 -7.186 207 HG2 ARG 25 2HG ARG 25 -19.703 -10.234 -6.319 208 HG3 ARG 25 1HG ARG 25 -18.507 -9.279 -5.445 209 HD2 ARG 25 2HD ARG 25 -19.685 -10.799 -3.936 210 HD3 ARG 25 1HD ARG 25 -20.047 -9.114 -3.541 211 HE ARG 25 HE ARG 25 -21.854 -10.605 -5.287 212 HH11 ARG 25 1HH1 ARG 25 -21.299 -9.154 -2.112 213 HH12 ARG 25 2HH1 ARG 25 -22.937 -9.004 -1.724 214 HH21 ARG 25 1HH2 ARG 25 -24.087 -10.420 -4.776 215 HH22 ARG 25 2HH2 ARG 25 -24.594 -9.765 -3.285 216 H ILE 26 H ILE 26 -17.594 -7.003 -4.090 217 HA ILE 26 HA ILE 26 -18.994 -6.878 -1.598 218 HB ILE 26 HB ILE 26 -16.028 -6.651 -2.211 219 HG12 ILE 26 2HG1 ILE 26 -17.619 -8.876 -0.925 220 HG13 ILE 26 1HG1 ILE 26 -17.071 -8.868 -2.596 221 HG21 ILE 26 1HG2 ILE 26 -17.361 -6.814 0.495 222 HG22 ILE 26 2HG2 ILE 26 -16.521 -5.413 -0.167 223 HG23 ILE 26 3HG2 ILE 26 -15.623 -6.889 0.188 224 HD11 ILE 26 3HD1 ILE 26 -15.330 -8.902 -0.136 225 HD12 ILE 26 1HD1 ILE 26 -14.742 -8.842 -1.801 226 HD13 ILE 26 2HD1 ILE 26 -15.636 -10.250 -1.233 227 H PHE 27 H PHE 27 -16.729 -4.627 -3.218 228 HA PHE 27 HA PHE 27 -17.257 -2.531 -1.371 229 HB2 PHE 27 2HB PHE 27 -15.957 -2.477 -4.091 230 HB3 PHE 27 1HB PHE 27 -16.117 -1.057 -3.074 231 HD1 PHE 27 2HD PHE 27 -15.057 -1.128 -0.769 232 HD2 PHE 27 1HD PHE 27 -14.137 -3.921 -3.840 233 HE1 PHE 27 2HE PHE 27 -12.964 -1.675 0.369 234 HE2 PHE 27 1HE PHE 27 -12.028 -4.474 -2.710 235 HZ PHE 27 HZ PHE 27 -11.433 -3.357 -0.601 236 H GLY 28 H GLY 28 -18.725 -3.511 -4.344 237 HA2 GLY 28 2HA GLY 28 -21.002 -2.949 -4.737 238 HA3 GLY 28 1HA GLY 28 -20.727 -1.407 -3.928 239 H GLY 29 H GLY 29 -18.525 -0.479 -5.090 240 HA2 GLY 29 2HA GLY 29 -18.919 -0.636 -7.969 241 HA3 GLY 29 1HA GLY 29 -19.160 0.927 -7.200 242 H SER 30 H SER 30 -16.752 -1.635 -6.639 243 HA SER 30 HA SER 30 -14.647 -0.167 -7.818 244 HB2 SER 30 2HB SER 30 -15.063 1.163 -5.719 245 HB3 SER 30 1HB SER 30 -14.694 -0.280 -4.785 246 HG SER 30 HG SER 30 -12.893 0.763 -6.689 247 H ILE 31 H ILE 31 -13.073 -1.602 -8.244 248 HA ILE 31 HA ILE 31 -13.203 -4.264 -7.041 249 HB ILE 31 HB ILE 31 -12.980 -4.330 -9.437 250 HG12 ILE 31 2HG1 ILE 31 -10.325 -4.981 -8.136 251 HG13 ILE 31 1HG1 ILE 31 -11.695 -6.054 -8.361 252 HG21 ILE 31 1HG2 ILE 31 -11.141 -3.291 -10.703 253 HG22 ILE 31 2HG2 ILE 31 -10.617 -2.480 -9.228 254 HG23 ILE 31 3HG2 ILE 31 -12.198 -2.119 -9.914 255 HD11 ILE 31 3HD1 ILE 31 -9.918 -6.555 -9.949 256 HD12 ILE 31 1HD1 ILE 31 -9.972 -4.897 -10.548 257 HD13 ILE 31 2HD1 ILE 31 -11.350 -5.963 -10.792 258 H VAL 32 H VAL 32 -11.062 -1.559 -7.485 259 HA VAL 32 HA VAL 32 -9.603 -2.185 -5.047 260 HB VAL 32 HB VAL 32 -8.286 -1.338 -7.673 261 HG11 VAL 32 1HG1 VAL 32 -6.158 -1.457 -6.452 262 HG12 VAL 32 2HG1 VAL 32 -7.038 -1.815 -4.968 263 HG13 VAL 32 3HG1 VAL 32 -7.247 -0.252 -5.760 264 HG21 VAL 32 3HG2 VAL 32 -8.764 -3.723 -7.673 265 HG22 VAL 32 1HG2 VAL 32 -7.956 -3.900 -6.115 266 HG23 VAL 32 2HG2 VAL 32 -7.030 -3.434 -7.542 267 HA PRO 33 HA PRO 33 -10.939 2.099 -4.812 268 HB2 PRO 33 2HB PRO 33 -9.220 2.182 -2.408 269 HB3 PRO 33 1HB PRO 33 -10.941 2.543 -2.558 270 HG2 PRO 33 2HG PRO 33 -10.105 0.303 -1.357 271 HG3 PRO 33 1HG PRO 33 -11.560 0.317 -2.367 272 HD2 PRO 33 2HD PRO 33 -8.807 -0.659 -3.038 273 HD3 PRO 33 1HD PRO 33 -10.395 -1.376 -3.412 274 H GLN 34 H GLN 34 -9.738 2.675 -6.623 275 HA GLN 34 HA GLN 34 -6.994 3.263 -6.218 276 HB2 GLN 34 2HB GLN 34 -6.929 3.904 -8.672 277 HB3 GLN 34 1HB GLN 34 -7.277 2.236 -8.289 278 HG2 GLN 34 2HG GLN 34 -8.655 2.857 -10.099 279 HG3 GLN 34 1HG GLN 34 -9.696 2.729 -8.696 280 HE21 GLN 34 1HE2 GLN 34 -8.270 4.816 -11.021 281 HE22 GLN 34 2HE2 GLN 34 -9.200 6.219 -10.705 282 H GLU 35 H GLU 35 -9.692 5.002 -5.608 283 HA GLU 35 HA GLU 35 -8.407 7.509 -6.145 284 HB2 GLU 35 2HB GLU 35 -10.245 8.544 -4.730 285 HB3 GLU 35 1HB GLU 35 -10.789 7.695 -6.160 286 HG2 GLU 35 2HG GLU 35 -10.811 6.443 -3.433 287 HG3 GLU 35 1HG GLU 35 -12.147 7.417 -4.047 288 H VAL 36 H VAL 36 -8.400 5.174 -3.709 289 HA VAL 36 HA VAL 36 -7.313 6.773 -1.617 290 HB VAL 36 HB VAL 36 -7.088 3.776 -2.076 291 HG11 VAL 36 1HG1 VAL 36 -6.532 3.639 0.312 292 HG12 VAL 36 2HG1 VAL 36 -6.548 5.401 0.410 293 HG13 VAL 36 3HG1 VAL 36 -5.336 4.581 -0.576 294 HG21 VAL 36 3HG2 VAL 36 -9.391 4.517 -1.821 295 HG22 VAL 36 1HG2 VAL 36 -8.964 5.363 -0.333 296 HG23 VAL 36 2HG2 VAL 36 -8.864 3.604 -0.404 297 H GLU 37 H GLU 37 -5.860 4.640 -4.066 298 HA GLU 37 HA GLU 37 -3.233 5.303 -3.297 299 HB2 GLU 37 2HB GLU 37 -2.481 4.250 -5.419 300 HB3 GLU 37 1HB GLU 37 -3.603 3.245 -4.528 301 HG2 GLU 37 2HG GLU 37 -4.512 2.949 -6.563 302 HG3 GLU 37 1HG GLU 37 -5.313 4.469 -6.178 303 H ALA 38 H ALA 38 -5.466 6.774 -5.502 304 HA ALA 38 HA ALA 38 -3.750 8.600 -6.747 305 HB1 ALA 38 1HB ALA 38 -5.754 9.931 -7.197 306 HB2 ALA 38 2HB ALA 38 -6.648 8.998 -6.002 307 HB3 ALA 38 3HB ALA 38 -6.077 8.217 -7.475 308 H LEU 39 H LEU 39 -5.698 8.885 -3.797 309 HA LEU 39 HA LEU 39 -4.927 11.484 -3.097 310 HB2 LEU 39 2HB LEU 39 -6.824 10.029 -2.125 311 HB3 LEU 39 1HB LEU 39 -5.606 9.281 -1.131 312 HG LEU 39 HG LEU 39 -6.398 12.211 -1.015 313 HD11 LEU 39 1HD1 LEU 39 -8.174 10.783 -0.237 314 HD12 LEU 39 2HD1 LEU 39 -7.438 11.644 1.115 315 HD13 LEU 39 3HD1 LEU 39 -7.060 9.942 0.840 316 HD21 LEU 39 3HD2 LEU 39 -4.573 10.617 0.802 317 HD22 LEU 39 1HD2 LEU 39 -5.131 12.266 1.110 318 HD23 LEU 39 2HD2 LEU 39 -4.095 11.923 -0.274 319 H LEU 40 H LEU 40 -3.553 8.316 -2.241 320 HA LEU 40 HA LEU 40 -1.580 9.443 -0.595 321 HB2 LEU 40 2HB LEU 40 -1.922 6.715 -1.704 322 HB3 LEU 40 1HB LEU 40 -0.358 7.152 -1.055 323 HG LEU 40 HG LEU 40 -1.465 7.746 1.091 324 HD11 LEU 40 1HD1 LEU 40 -3.698 6.919 1.560 325 HD12 LEU 40 2HD1 LEU 40 -3.896 6.504 -0.146 326 HD13 LEU 40 3HD1 LEU 40 -3.694 8.188 0.336 327 HD21 LEU 40 3HD2 LEU 40 -0.364 5.634 0.779 328 HD22 LEU 40 1HD2 LEU 40 -1.851 4.904 0.171 329 HD23 LEU 40 2HD2 LEU 40 -1.730 5.478 1.852 330 H ARG 41 H ARG 41 -1.352 8.577 -4.029 331 HA ARG 41 HA ARG 41 1.375 9.400 -3.986 332 HB2 ARG 41 2HB ARG 41 1.263 9.362 -6.542 333 HB3 ARG 41 1HB ARG 41 0.942 7.848 -5.739 334 HG2 ARG 41 2HG ARG 41 -1.454 8.190 -6.085 335 HG3 ARG 41 1HG ARG 41 -1.102 9.697 -6.940 336 HD2 ARG 41 2HD ARG 41 0.061 8.562 -8.655 337 HD3 ARG 41 1HD ARG 41 0.124 7.070 -7.729 338 HE ARG 41 HE ARG 41 -2.400 7.093 -8.009 339 HH11 ARG 41 1HH1 ARG 41 -0.196 8.414 -10.487 340 HH12 ARG 41 2HH1 ARG 41 -1.247 8.002 -11.763 341 HH21 ARG 41 1HH2 ARG 41 -3.710 6.563 -9.707 342 HH22 ARG 41 2HH2 ARG 41 -3.318 6.944 -11.335 343 H ARG 42 H ARG 42 -1.584 11.081 -4.426 344 HA ARG 42 HA ARG 42 -0.459 13.538 -5.268 345 HB2 ARG 42 2HB ARG 42 -2.841 13.267 -5.461 346 HB3 ARG 42 1HB ARG 42 -2.994 12.872 -3.755 347 HG2 ARG 42 2HG ARG 42 -3.794 15.117 -4.242 348 HG3 ARG 42 1HG ARG 42 -2.410 15.143 -3.149 349 HD2 ARG 42 2HD ARG 42 -0.978 15.541 -5.184 350 HD3 ARG 42 1HD ARG 42 -2.473 15.814 -6.083 351 HE ARG 42 HE ARG 42 -2.763 17.466 -4.039 352 HH11 ARG 42 1HH1 ARG 42 -0.018 16.909 -6.201 353 HH12 ARG 42 2HH1 ARG 42 0.627 18.473 -6.064 354 HH21 ARG 42 1HH2 ARG 42 -1.895 19.662 -3.834 355 HH22 ARG 42 2HH2 ARG 42 -0.477 20.079 -4.667 356 H GLU 43 H GLU 43 -1.202 12.176 -2.127 357 HA GLU 43 HA GLU 43 -0.426 14.274 -0.463 358 HB2 GLU 43 2HB GLU 43 -1.796 12.397 0.252 359 HB3 GLU 43 1HB GLU 43 -0.479 11.286 -0.057 360 HG2 GLU 43 2HG GLU 43 -0.726 11.630 2.288 361 HG3 GLU 43 1HG GLU 43 0.795 12.320 1.744 362 H ALA 44 H ALA 44 1.337 11.523 -1.768 363 HA ALA 44 HA ALA 44 3.797 11.956 -0.525 364 HB1 ALA 44 1HB ALA 44 3.242 9.895 -1.708 365 HB2 ALA 44 2HB ALA 44 4.742 10.590 -2.332 366 HB3 ALA 44 3HB ALA 44 3.234 10.768 -3.239 367 H ALA 45 H ALA 45 2.499 13.153 -3.586 368 HA ALA 45 HA ALA 45 4.838 14.549 -4.381 369 HB1 ALA 45 1HB ALA 45 3.122 13.835 -5.982 370 HB2 ALA 45 2HB ALA 45 3.425 15.569 -6.085 371 HB3 ALA 45 3HB ALA 45 1.985 14.972 -5.259 372 H ASP 46 H ASP 46 1.950 15.472 -2.627 373 HA ASP 46 HA ASP 46 2.651 18.259 -2.583 374 HB2 ASP 46 2HB ASP 46 0.298 17.590 -2.534 375 HB3 ASP 46 1HB ASP 46 0.552 16.755 -1.007 376 H GLY 47 H GLY 47 3.213 15.531 -0.514 377 HA2 GLY 47 2HA GLY 47 4.237 17.231 1.623 378 HA3 GLY 47 1HA GLY 47 3.963 15.497 1.708 379 H ILE 48 H ILE 48 5.585 16.685 -1.048 380 HA ILE 48 HA ILE 48 7.948 15.239 -0.664 381 HB ILE 48 HB ILE 48 7.068 17.396 -2.545 382 HG12 ILE 48 2HG1 ILE 48 6.308 15.147 -2.977 383 HG13 ILE 48 1HG1 ILE 48 7.388 15.679 -4.260 384 HG21 ILE 48 1HG2 ILE 48 9.116 17.297 -3.823 385 HG22 ILE 48 2HG2 ILE 48 9.866 16.343 -2.534 386 HG23 ILE 48 3HG2 ILE 48 9.349 18.003 -2.221 387 HD11 ILE 48 3HD1 ILE 48 9.208 14.375 -3.193 388 HD12 ILE 48 1HD1 ILE 48 7.843 13.391 -3.713 389 HD13 ILE 48 2HD1 ILE 48 8.038 13.776 -2.013 390 H GLN 49 H GLN 49 10.033 15.833 -0.036 391 HA GLN 49 HA GLN 49 10.258 18.455 1.218 392 HB2 GLN 49 2HB GLN 49 10.231 16.364 2.755 393 HB3 GLN 49 1HB GLN 49 11.741 15.981 2.001 394 HG2 GLN 49 2HG GLN 49 12.822 17.920 2.758 395 HG3 GLN 49 1HG GLN 49 11.319 18.586 3.385 396 HE21 GLN 49 1HE2 GLN 49 12.208 15.225 3.818 397 HE22 GLN 49 2HE2 GLN 49 12.485 15.338 5.514 398 H SER 50 H SER 50 11.973 19.634 0.552 399 HA SER 50 HA SER 50 13.389 18.911 -1.732 400 HB2 SER 50 2HB SER 50 14.011 21.050 0.311 401 HB3 SER 50 1HB SER 50 14.566 21.000 -1.365 402 HG SER 50 HG SER 50 12.631 22.315 -0.796 403 H LEU 51 H LEU 51 15.178 17.899 -1.956 404 HA LEU 51 HA LEU 51 16.931 17.341 0.310 405 HB2 LEU 51 2HB LEU 51 15.232 15.471 -0.202 406 HB3 LEU 51 1HB LEU 51 16.037 15.288 -1.740 407 HG LEU 51 HG LEU 51 18.122 14.611 -0.509 408 HD11 LEU 51 1HD1 LEU 51 16.328 14.681 1.894 409 HD12 LEU 51 2HD1 LEU 51 17.704 15.752 1.596 410 HD13 LEU 51 3HD1 LEU 51 17.959 14.021 1.825 411 HD21 LEU 51 3HD2 LEU 51 17.308 12.422 0.119 412 HD22 LEU 51 1HD2 LEU 51 16.576 12.958 -1.390 413 HD23 LEU 51 2HD2 LEU 51 15.651 13.020 0.109 414 H GLN 52 H GLN 52 18.784 15.878 -1.179 415 HA GLN 52 HA GLN 52 20.166 17.762 -2.698 416 HB2 GLN 52 2HB GLN 52 20.366 14.749 -2.866 417 HB3 GLN 52 1HB GLN 52 21.598 15.909 -3.343 418 HG2 GLN 52 2HG GLN 52 21.792 16.632 -0.998 419 HG3 GLN 52 1HG GLN 52 20.608 15.415 -0.542 420 HE21 GLN 52 1HE2 GLN 52 22.013 14.286 0.776 421 HE22 GLN 52 2HE2 GLN 52 23.326 13.366 0.163 422 H GLY 53 H GLY 53 20.626 17.696 -5.004 423 HA2 GLY 53 2HA GLY 53 18.256 17.816 -6.534 424 HA3 GLY 53 1HA GLY 53 19.893 17.990 -7.140 425 H ASN 54 H ASN 54 20.148 15.202 -5.770 426 HA ASN 54 HA ASN 54 19.934 13.625 -8.087 427 HB2 ASN 54 2HB ASN 54 20.264 12.903 -5.191 428 HB3 ASN 54 1HB ASN 54 19.940 11.650 -6.370 429 HD21 ASN 54 1HD2 ASN 54 21.958 14.478 -7.104 430 HD22 ASN 54 2HD2 ASN 54 23.415 13.573 -7.155 431 H ARG 55 H ARG 55 17.765 14.021 -5.261 432 HA ARG 55 HA ARG 55 15.468 13.368 -6.659 433 HB2 ARG 55 2HB ARG 55 14.949 11.153 -5.628 434 HB3 ARG 55 1HB ARG 55 16.290 11.103 -6.759 435 HG2 ARG 55 2HG ARG 55 17.793 11.306 -4.746 436 HG3 ARG 55 1HG ARG 55 16.370 10.950 -3.767 437 HD2 ARG 55 2HD ARG 55 17.564 9.192 -5.924 438 HD3 ARG 55 1HD ARG 55 17.624 8.907 -4.190 439 HE ARG 55 HE ARG 55 15.022 9.068 -5.496 440 HH11 ARG 55 1HH1 ARG 55 17.492 7.006 -3.899 441 HH12 ARG 55 2HH1 ARG 55 16.465 5.663 -3.790 442 HH21 ARG 55 1HH2 ARG 55 13.640 7.171 -5.289 443 HH22 ARG 55 2HH2 ARG 55 14.251 5.751 -4.605 444 H LEU 56 H LEU 56 13.596 13.402 -5.313 445 HA LEU 56 HA LEU 56 13.923 15.135 -2.957 446 HB2 LEU 56 2HB LEU 56 11.486 14.391 -4.563 447 HB3 LEU 56 1HB LEU 56 11.582 15.610 -3.308 448 HG LEU 56 HG LEU 56 13.068 15.736 -5.934 449 HD11 LEU 56 1HD1 LEU 56 10.655 17.281 -5.031 450 HD12 LEU 56 2HD1 LEU 56 10.640 15.953 -6.187 451 HD13 LEU 56 3HD1 LEU 56 11.494 17.451 -6.574 452 HD21 LEU 56 3HD2 LEU 56 12.749 17.771 -3.728 453 HD22 LEU 56 1HD2 LEU 56 13.540 18.055 -5.279 454 HD23 LEU 56 2HD2 LEU 56 14.232 16.908 -4.137 455 H LEU 57 H LEU 57 12.716 14.807 -1.015 456 HA LEU 57 HA LEU 57 12.659 11.980 -0.355 457 HB2 LEU 57 2HB LEU 57 13.969 13.870 0.890 458 HB3 LEU 57 1HB LEU 57 12.403 14.384 1.433 459 HG LEU 57 HG LEU 57 13.673 13.147 3.141 460 HD11 LEU 57 1HD1 LEU 57 11.165 11.753 2.283 461 HD12 LEU 57 2HD1 LEU 57 11.283 13.179 3.319 462 HD13 LEU 57 3HD1 LEU 57 11.932 11.633 3.867 463 HD21 LEU 57 3HD2 LEU 57 13.985 10.750 2.942 464 HD22 LEU 57 1HD2 LEU 57 14.869 11.623 1.694 465 HD23 LEU 57 2HD2 LEU 57 13.357 10.799 1.296 466 H ALA 58 H ALA 58 10.735 11.024 0.135 467 HA ALA 58 HA ALA 58 8.296 12.645 0.002 468 HB1 ALA 58 1HB ALA 58 8.793 9.830 -0.983 469 HB2 ALA 58 2HB ALA 58 8.569 11.262 -1.991 470 HB3 ALA 58 3HB ALA 58 7.236 10.654 -1.013 471 HA PRO 59 HA PRO 59 7.057 10.941 3.976 472 HB2 PRO 59 2HB PRO 59 4.457 10.226 2.753 473 HB3 PRO 59 1HB PRO 59 4.797 11.263 4.140 474 HG2 PRO 59 2HG PRO 59 4.036 12.327 1.833 475 HG3 PRO 59 1HG PRO 59 5.303 13.099 2.807 476 HD2 PRO 59 2HD PRO 59 5.579 11.383 0.366 477 HD3 PRO 59 1HD PRO 59 6.420 12.891 0.792 478 H ASN 60 H ASN 60 6.419 9.031 5.076 479 HA ASN 60 HA ASN 60 6.376 6.611 3.439 480 HB2 ASN 60 2HB ASN 60 7.908 5.404 4.959 481 HB3 ASN 60 1HB ASN 60 8.681 6.741 4.131 482 HD21 ASN 60 1HD2 ASN 60 9.527 8.372 5.300 483 HD22 ASN 60 2HD2 ASN 60 9.641 8.309 7.040 484 H GLU 61 H GLU 61 5.311 8.240 6.308 485 HA GLU 61 HA GLU 61 3.937 5.768 7.011 486 HB2 GLU 61 2HB GLU 61 5.248 6.807 8.850 487 HB3 GLU 61 1HB GLU 61 4.275 8.263 8.702 488 HG2 GLU 61 2HG GLU 61 2.304 7.088 9.423 489 HG3 GLU 61 1HG GLU 61 3.160 5.552 9.393 490 H TYR 62 H TYR 62 2.145 5.580 5.980 491 HA TYR 62 HA TYR 62 0.401 7.923 5.560 492 HB2 TYR 62 2HB TYR 62 0.632 5.338 4.016 493 HB3 TYR 62 1HB TYR 62 -0.564 6.588 3.707 494 HD1 TYR 62 1HD TYR 62 3.033 5.775 3.563 495 HD2 TYR 62 2HD TYR 62 0.008 8.548 2.460 496 HE1 TYR 62 1HE TYR 62 4.612 6.891 2.053 497 HE2 TYR 62 2HE TYR 62 1.581 9.669 0.943 498 HH TYR 62 HH TYR 62 4.681 8.319 0.204 499 H ILE 63 H ILE 63 -1.172 7.973 6.909 500 HA ILE 63 HA ILE 63 -2.254 5.413 7.840 501 HB ILE 63 HB ILE 63 -2.612 8.098 9.232 502 HG12 ILE 63 2HG1 ILE 63 -0.631 5.894 9.904 503 HG13 ILE 63 1HG1 ILE 63 -0.201 7.429 9.168 504 HG21 ILE 63 1HG2 ILE 63 -3.290 6.687 11.126 505 HG22 ILE 63 2HG2 ILE 63 -2.976 5.243 10.172 506 HG23 ILE 63 3HG2 ILE 63 -4.292 6.334 9.713 507 HD11 ILE 63 3HD1 ILE 63 -0.952 8.603 11.171 508 HD12 ILE 63 1HD1 ILE 63 0.289 7.410 11.547 509 HD13 ILE 63 2HD1 ILE 63 -1.403 7.066 11.908 510 H ILE 64 H ILE 64 -4.113 4.907 6.982 511 HA ILE 64 HA ILE 64 -5.784 7.008 5.793 512 HB ILE 64 HB ILE 64 -5.696 4.061 5.108 513 HG12 ILE 64 2HG1 ILE 64 -4.400 6.352 3.624 514 HG13 ILE 64 1HG1 ILE 64 -3.541 5.161 4.590 515 HG21 ILE 64 1HG2 ILE 64 -6.911 4.778 3.084 516 HG22 ILE 64 2HG2 ILE 64 -6.931 6.435 3.695 517 HG23 ILE 64 3HG2 ILE 64 -7.792 5.169 4.562 518 HD11 ILE 64 3HD1 ILE 64 -3.395 4.643 2.250 519 HD12 ILE 64 1HD1 ILE 64 -5.154 4.607 2.120 520 HD13 ILE 64 2HD1 ILE 64 -4.309 3.404 3.103 521 H THR 65 H THR 65 -7.707 7.193 6.756 522 HA THR 65 HA THR 65 -8.588 4.951 8.406 523 HB THR 65 HB THR 65 -9.181 7.883 8.844 524 HG1 THR 65 1HG THR 65 -6.959 6.905 9.099 525 HG21 THR 65 3HG2 THR 65 -9.569 5.451 10.610 526 HG22 THR 65 1HG2 THR 65 -10.855 6.334 9.790 527 HG23 THR 65 2HG2 THR 65 -9.922 7.115 11.068 528 H LEU 66 H LEU 66 -10.356 4.047 7.758 529 HA LEU 66 HA LEU 66 -12.055 5.308 5.725 530 HB2 LEU 66 2HB LEU 66 -11.371 2.496 6.483 531 HB3 LEU 66 1HB LEU 66 -12.947 2.807 5.803 532 HG LEU 66 HG LEU 66 -11.292 1.969 4.162 533 HD11 LEU 66 1HD1 LEU 66 -11.752 3.643 2.427 534 HD12 LEU 66 2HD1 LEU 66 -12.446 4.668 3.701 535 HD13 LEU 66 3HD1 LEU 66 -13.156 3.103 3.343 536 HD21 LEU 66 3HD2 LEU 66 -9.285 3.056 5.031 537 HD22 LEU 66 1HD2 LEU 66 -9.948 4.627 4.589 538 HD23 LEU 66 2HD2 LEU 66 -9.544 3.454 3.332 539 H GLY 67 H GLY 67 -14.351 5.132 5.990 540 HA2 GLY 67 2HA GLY 67 -15.370 5.294 8.610 541 HA3 GLY 67 1HA GLY 67 -16.329 4.963 7.159 542 H VAL 68 H VAL 68 -16.367 3.683 9.842 543 HA VAL 68 HA VAL 68 -15.031 1.253 9.826 544 HB VAL 68 HB VAL 68 -15.965 2.173 11.812 545 HG11 VAL 68 1HG1 VAL 68 -18.374 2.013 12.368 546 HG12 VAL 68 2HG1 VAL 68 -18.681 1.477 10.712 547 HG13 VAL 68 3HG1 VAL 68 -18.040 3.089 11.010 548 HG21 VAL 68 3HG2 VAL 68 -17.083 -0.570 11.242 549 HG22 VAL 68 1HG2 VAL 68 -16.878 0.123 12.851 550 HG23 VAL 68 2HG2 VAL 68 -15.470 -0.194 11.843 551 H HIS 69 H HIS 69 -18.115 1.972 8.385 552 HA HIS 69 HA HIS 69 -18.787 -0.730 7.889 553 HB2 HIS 69 2HB HIS 69 -20.500 1.043 7.954 554 HB3 HIS 69 1HB HIS 69 -19.811 1.750 6.498 555 HD1 HIS 69 1HD HIS 69 -20.734 -1.878 7.228 556 HD2 HIS 69 2HD HIS 69 -21.572 1.191 4.558 557 HE1 HIS 69 1HE HIS 69 -22.278 -2.862 5.475 558 H ASP 70 H ASP 70 -16.942 1.640 6.072 559 HA ASP 70 HA ASP 70 -16.812 -0.007 3.722 560 HB2 ASP 70 2HB ASP 70 -15.295 2.481 4.518 561 HB3 ASP 70 1HB ASP 70 -14.987 1.612 3.017 562 H PHE 71 H PHE 71 -15.054 0.364 6.640 563 HA PHE 71 HA PHE 71 -12.702 -0.971 5.883 564 HB2 PHE 71 2HB PHE 71 -13.144 0.452 7.918 565 HB3 PHE 71 1HB PHE 71 -14.020 -0.908 8.609 566 HD1 PHE 71 1HD PHE 71 -10.766 0.320 7.487 567 HD2 PHE 71 2HD PHE 71 -12.833 -2.682 9.634 568 HE1 PHE 71 1HE PHE 71 -8.624 -0.455 8.437 569 HE2 PHE 71 2HE PHE 71 -10.701 -3.476 10.592 570 HZ PHE 71 HZ PHE 71 -8.594 -2.356 9.994 571 H GLU 72 H GLU 72 -15.911 -1.999 6.914 572 HA GLU 72 HA GLU 72 -15.416 -4.739 7.243 573 HB2 GLU 72 2HB GLU 72 -17.939 -3.361 6.324 574 HB3 GLU 72 1HB GLU 72 -17.826 -5.014 6.906 575 HG2 GLU 72 2HG GLU 72 -17.074 -4.154 9.092 576 HG3 GLU 72 1HG GLU 72 -17.289 -2.512 8.490 577 H LYS 73 H LYS 73 -15.979 -2.768 4.413 578 HA LYS 73 HA LYS 73 -16.270 -4.975 2.616 579 HB2 LYS 73 2HB LYS 73 -15.868 -2.028 2.156 580 HB3 LYS 73 1HB LYS 73 -15.683 -3.152 0.825 581 HG2 LYS 73 2HG LYS 73 -17.889 -2.232 0.743 582 HG3 LYS 73 1HG LYS 73 -18.021 -3.916 1.223 583 HD2 LYS 73 2HD LYS 73 -18.304 -3.226 3.552 584 HD3 LYS 73 1HD LYS 73 -18.140 -1.537 3.071 585 HE2 LYS 73 2HE LYS 73 -20.308 -3.423 2.148 586 HE3 LYS 73 1HE LYS 73 -20.487 -2.179 3.379 587 HZ1 LYS 73 3HZ LYS 73 -19.856 -1.704 0.510 588 HZ2 LYS 73 1HZ LYS 73 -20.020 -0.500 1.672 589 HZ3 LYS 73 2HZ LYS 73 -21.336 -1.456 1.247 590 H LEU 74 H LEU 74 -13.601 -3.195 3.885 591 HA LEU 74 HA LEU 74 -11.622 -4.189 2.089 592 HB2 LEU 74 2HB LEU 74 -11.317 -3.346 4.977 593 HB3 LEU 74 1HB LEU 74 -9.993 -3.618 3.866 594 HG LEU 74 HG LEU 74 -12.064 -1.426 3.637 595 HD11 LEU 74 1HD1 LEU 74 -10.207 0.063 4.135 596 HD12 LEU 74 2HD1 LEU 74 -9.143 -1.326 4.349 597 HD13 LEU 74 3HD1 LEU 74 -10.490 -1.070 5.458 598 HD21 LEU 74 3HD2 LEU 74 -10.696 -0.600 1.784 599 HD22 LEU 74 1HD2 LEU 74 -11.278 -2.228 1.434 600 HD23 LEU 74 2HD2 LEU 74 -9.615 -1.984 1.949 601 H GLY 75 H GLY 75 -13.168 -5.421 4.917 602 HA2 GLY 75 2HA GLY 75 -13.691 -7.782 4.794 603 HA3 GLY 75 1HA GLY 75 -12.070 -8.037 4.169 604 H ALA 76 H ALA 76 -12.075 -9.638 5.811 605 HA ALA 76 HA ALA 76 -11.929 -8.814 8.570 606 HB1 ALA 76 1HB ALA 76 -12.812 -11.017 7.971 607 HB2 ALA 76 2HB ALA 76 -11.393 -11.169 9.008 608 HB3 ALA 76 3HB ALA 76 -11.255 -11.458 7.274 609 H ASP 77 H ASP 77 -9.852 -9.075 5.913 610 HA ASP 77 HA ASP 77 -7.590 -8.566 7.682 611 HB2 ASP 77 2HB ASP 77 -6.044 -9.719 6.084 612 HB3 ASP 77 1HB ASP 77 -7.217 -10.790 6.822 613 HA PRO 78 HA PRO 78 -7.892 -4.984 4.742 614 HB2 PRO 78 2HB PRO 78 -7.766 -3.400 7.224 615 HB3 PRO 78 1HB PRO 78 -8.928 -3.288 5.897 616 HG2 PRO 78 2HG PRO 78 -9.659 -4.258 8.276 617 HG3 PRO 78 1HG PRO 78 -10.282 -4.962 6.773 618 HD2 PRO 78 2HD PRO 78 -8.033 -5.930 8.509 619 HD3 PRO 78 1HD PRO 78 -9.393 -6.852 7.824 620 H GLU 79 H GLU 79 -6.198 -5.129 7.852 621 HA GLU 79 HA GLU 79 -4.000 -3.576 7.023 622 HB2 GLU 79 2HB GLU 79 -4.489 -5.284 9.433 623 HB3 GLU 79 1HB GLU 79 -2.958 -4.459 9.179 624 HG2 GLU 79 2HG GLU 79 -5.585 -3.004 9.135 625 HG3 GLU 79 1HG GLU 79 -4.665 -3.265 10.617 626 H LEU 80 H LEU 80 -4.708 -6.764 6.411 627 HA LEU 80 HA LEU 80 -1.994 -7.710 6.185 628 HB2 LEU 80 2HB LEU 80 -4.011 -9.166 6.621 629 HB3 LEU 80 1HB LEU 80 -4.550 -8.819 4.996 630 HG LEU 80 HG LEU 80 -3.583 -11.090 5.319 631 HD11 LEU 80 1HD1 LEU 80 -2.203 -11.151 3.317 632 HD12 LEU 80 2HD1 LEU 80 -2.077 -9.391 3.348 633 HD13 LEU 80 3HD1 LEU 80 -3.642 -10.157 3.088 634 HD21 LEU 80 3HD2 LEU 80 -0.990 -9.613 5.702 635 HD22 LEU 80 1HD2 LEU 80 -1.164 -11.355 5.506 636 HD23 LEU 80 2HD2 LEU 80 -1.849 -10.557 6.921 637 H LYS 81 H LYS 81 -4.483 -6.316 4.159 638 HA LYS 81 HA LYS 81 -3.100 -6.654 1.683 639 HB2 LYS 81 2HB LYS 81 -5.461 -4.900 2.391 640 HB3 LYS 81 1HB LYS 81 -4.909 -5.258 0.763 641 HG2 LYS 81 2HG LYS 81 -5.471 -7.630 1.097 642 HG3 LYS 81 1HG LYS 81 -6.021 -7.260 2.733 643 HD2 LYS 81 2HD LYS 81 -7.733 -5.765 1.833 644 HD3 LYS 81 1HD LYS 81 -7.167 -6.086 0.196 645 HE2 LYS 81 2HE LYS 81 -9.146 -7.392 0.609 646 HE3 LYS 81 1HE LYS 81 -7.764 -8.477 0.506 647 HZ1 LYS 81 3HZ LYS 81 -9.059 -7.562 3.022 648 HZ2 LYS 81 1HZ LYS 81 -7.773 -8.674 2.930 649 HZ3 LYS 81 2HZ LYS 81 -9.279 -9.048 2.289 650 H SER 82 H SER 82 -3.208 -4.274 4.211 651 HA SER 82 HA SER 82 -2.464 -1.934 3.026 652 HB2 SER 82 2HB SER 82 -1.448 -2.980 5.660 653 HB3 SER 82 1HB SER 82 -1.722 -1.297 5.197 654 HG SER 82 HG SER 82 -3.463 -1.951 6.391 655 H THR 83 H THR 83 -0.435 -4.610 4.126 656 HA THR 83 HA THR 83 2.063 -3.480 3.775 657 HB THR 83 HB THR 83 1.255 -6.373 3.485 658 HG1 THR 83 1HG THR 83 1.042 -6.400 5.650 659 HG21 THR 83 3HG2 THR 83 3.800 -5.083 4.528 660 HG22 THR 83 1HG2 THR 83 3.630 -5.877 2.963 661 HG23 THR 83 2HG2 THR 83 3.478 -6.817 4.449 662 H GLY 84 H GLY 84 0.053 -5.371 1.500 663 HA2 GLY 84 2HA GLY 84 1.990 -5.418 -0.601 664 HA3 GLY 84 1HA GLY 84 0.279 -5.802 -0.754 665 H PHE 85 H PHE 85 -0.739 -3.399 0.212 666 HA PHE 85 HA PHE 85 -0.746 -1.771 -2.103 667 HB2 PHE 85 2HB PHE 85 -2.628 -2.047 -0.441 668 HB3 PHE 85 1HB PHE 85 -1.707 -1.067 0.684 669 HD1 PHE 85 1HD PHE 85 -3.111 -0.965 -2.762 670 HD2 PHE 85 2HD PHE 85 -2.111 1.210 0.747 671 HE1 PHE 85 1HE PHE 85 -4.201 1.028 -3.697 672 HE2 PHE 85 2HE PHE 85 -3.215 3.230 -0.198 673 HZ PHE 85 HZ PHE 85 -4.244 3.128 -2.408 674 H ALA 86 H ALA 86 0.878 -1.546 1.025 675 HA ALA 86 HA ALA 86 2.063 0.980 0.682 676 HB1 ALA 86 1HB ALA 86 1.977 -0.178 2.858 677 HB2 ALA 86 2HB ALA 86 3.620 0.305 2.440 678 HB3 ALA 86 3HB ALA 86 3.118 -1.379 2.256 679 H ARG 87 H ARG 87 3.136 -2.268 -0.157 680 HA ARG 87 HA ARG 87 5.634 -1.437 -1.145 681 HB2 ARG 87 2HB ARG 87 5.220 -3.777 -0.514 682 HB3 ARG 87 1HB ARG 87 4.072 -3.942 -1.834 683 HG2 ARG 87 2HG ARG 87 6.286 -4.948 -2.314 684 HG3 ARG 87 1HG ARG 87 5.822 -3.690 -3.465 685 HD2 ARG 87 2HD ARG 87 7.187 -2.073 -2.257 686 HD3 ARG 87 1HD ARG 87 7.637 -3.311 -1.095 687 HE ARG 87 HE ARG 87 8.774 -4.438 -2.934 688 HH11 ARG 87 1HH1 ARG 87 7.954 -1.028 -3.446 689 HH12 ARG 87 2HH1 ARG 87 9.307 -0.699 -4.442 690 HH21 ARG 87 1HH2 ARG 87 10.624 -3.964 -4.351 691 HH22 ARG 87 2HH2 ARG 87 10.845 -2.401 -4.965 692 H ASP 88 H ASP 88 2.522 -1.807 -2.614 693 HA ASP 88 HA ASP 88 3.193 -1.339 -5.337 694 HB2 ASP 88 2HB ASP 88 0.950 -2.152 -4.482 695 HB3 ASP 88 1HB ASP 88 0.632 -0.522 -3.916 696 H LEU 89 H LEU 89 2.258 0.825 -2.708 697 HA LEU 89 HA LEU 89 2.486 3.240 -4.146 698 HB2 LEU 89 2HB LEU 89 1.254 3.024 -2.040 699 HB3 LEU 89 1HB LEU 89 2.756 2.736 -1.191 700 HG LEU 89 HG LEU 89 3.497 5.026 -1.830 701 HD11 LEU 89 1HD1 LEU 89 2.108 5.376 -3.791 702 HD12 LEU 89 2HD1 LEU 89 1.817 6.635 -2.594 703 HD13 LEU 89 3HD1 LEU 89 0.656 5.325 -2.792 704 HD21 LEU 89 3HD2 LEU 89 1.985 6.164 -0.219 705 HD22 LEU 89 1HD2 LEU 89 2.607 4.609 0.354 706 HD23 LEU 89 2HD2 LEU 89 0.970 4.715 -0.270 707 H ALA 90 H ALA 90 4.778 1.388 -2.211 708 HA ALA 90 HA ALA 90 6.933 3.180 -2.239 709 HB1 ALA 90 1HB ALA 90 6.934 1.161 -0.854 710 HB2 ALA 90 2HB ALA 90 8.373 1.224 -1.864 711 HB3 ALA 90 3HB ALA 90 7.033 0.165 -2.304 712 H ASP 91 H ASP 91 5.839 0.804 -4.533 713 HA ASP 91 HA ASP 91 7.978 1.072 -6.367 714 HB2 ASP 91 2HB ASP 91 6.505 -0.869 -6.436 715 HB3 ASP 91 1HB ASP 91 5.130 0.163 -6.800 716 H TYR 92 H TYR 92 4.802 2.574 -6.089 717 HA TYR 92 HA TYR 92 4.867 4.289 -8.270 718 HB2 TYR 92 2HB TYR 92 3.478 4.343 -5.668 719 HB3 TYR 92 1HB TYR 92 3.663 5.901 -6.450 720 HD1 TYR 92 1HD TYR 92 2.911 6.002 -8.934 721 HD2 TYR 92 2HD TYR 92 1.636 3.014 -6.195 722 HE1 TYR 92 1HE TYR 92 0.926 5.620 -10.300 723 HE2 TYR 92 2HE TYR 92 -0.361 2.601 -7.570 724 HH TYR 92 HH TYR 92 -1.746 3.894 -9.210 725 H ILE 93 H ILE 93 6.183 4.918 -5.001 726 HA ILE 93 HA ILE 93 7.081 7.479 -5.815 727 HB ILE 93 HB ILE 93 8.379 7.646 -3.729 728 HG12 ILE 93 2HG1 ILE 93 7.509 4.790 -3.230 729 HG13 ILE 93 1HG1 ILE 93 9.146 5.296 -3.591 730 HG21 ILE 93 1HG2 ILE 93 5.614 6.519 -3.330 731 HG22 ILE 93 2HG2 ILE 93 6.020 8.197 -3.679 732 HG23 ILE 93 3HG2 ILE 93 6.508 7.473 -2.148 733 HD11 ILE 93 3HD1 ILE 93 8.880 4.870 -1.216 734 HD12 ILE 93 1HD1 ILE 93 7.575 6.054 -1.133 735 HD13 ILE 93 2HD1 ILE 93 9.216 6.578 -1.499 736 H GLN 94 H GLN 94 8.605 4.328 -5.840 737 HA GLN 94 HA GLN 94 11.198 5.129 -6.544 738 HB2 GLN 94 2HB GLN 94 9.625 2.668 -7.261 739 HB3 GLN 94 1HB GLN 94 11.295 2.894 -7.749 740 HG2 GLN 94 2HG GLN 94 11.950 3.017 -5.381 741 HG3 GLN 94 1HG GLN 94 10.265 2.820 -4.911 742 HE21 GLN 94 1HE2 GLN 94 13.046 1.254 -6.292 743 HE22 GLN 94 2HE2 GLN 94 12.473 -0.362 -6.079 744 H GLU 95 H GLU 95 8.332 4.517 -8.519 745 HA GLU 95 HA GLU 95 9.360 4.866 -11.032 746 HB2 GLU 95 2HB GLU 95 6.686 5.623 -9.883 747 HB3 GLU 95 1HB GLU 95 7.038 5.650 -11.598 748 HG2 GLU 95 2HG GLU 95 7.229 3.212 -9.857 749 HG3 GLU 95 1HG GLU 95 5.821 3.652 -10.824 750 H GLN 96 H GLN 96 8.146 7.242 -8.737 751 HA GLN 96 HA GLN 96 8.490 9.495 -10.517 752 HB2 GLN 96 2HB GLN 96 8.031 9.599 -7.544 753 HB3 GLN 96 1HB GLN 96 7.624 10.814 -8.743 754 HG2 GLN 96 2HG GLN 96 6.317 8.119 -8.428 755 HG3 GLN 96 1HG GLN 96 5.643 9.663 -7.931 756 HE21 GLN 96 1HE2 GLN 96 4.719 7.595 -9.769 757 HE22 GLN 96 2HE2 GLN 96 4.392 8.379 -11.264 758 H GLY 97 H GLY 97 10.466 7.738 -8.405 759 HA2 GLY 97 2HA GLY 97 12.789 7.936 -8.335 760 HA3 GLY 97 1HA GLY 97 12.639 9.590 -8.906 761 H TRP 98 H TRP 98 10.548 8.903 -6.325 762 HA TRP 98 HA TRP 98 12.155 10.693 -4.696 763 HB2 TRP 98 2HB TRP 98 9.405 9.581 -4.116 764 HB3 TRP 98 1HB TRP 98 10.216 10.890 -3.265 765 HD1 TRP 98 HD TRP 98 11.168 12.565 -5.858 766 HE1 TRP 98 1HE TRP 98 9.416 13.823 -7.228 767 HE3 TRP 98 3HE TRP 98 6.989 10.019 -4.356 768 HZ2 TRP 98 2HZ TRP 98 6.607 13.780 -7.610 769 HZ3 TRP 98 3HZ TRP 98 4.808 10.708 -5.266 770 HH2 TRP 98 HH TRP 98 4.627 12.546 -6.856 771 H GLN 99 H GLN 99 12.676 10.242 -2.513 772 HA GLN 99 HA GLN 99 12.810 7.361 -1.903 773 HB2 GLN 99 2HB GLN 99 14.949 7.698 -0.802 774 HB3 GLN 99 1HB GLN 99 15.060 8.194 -2.489 775 HG2 GLN 99 2HG GLN 99 15.150 10.462 -1.909 776 HG3 GLN 99 1HG GLN 99 14.537 10.156 -0.289 777 HE21 GLN 99 1HE2 GLN 99 17.336 10.113 -2.332 778 HE22 GLN 99 2HE2 GLN 99 18.477 9.851 -1.069 779 H THR 100 H THR 100 13.136 7.010 0.486 780 HA THR 100 HA THR 100 12.291 9.200 2.162 781 HB THR 100 HB THR 100 10.136 8.186 1.646 782 HG1 THR 100 1HG THR 100 10.609 7.038 4.131 783 HG21 THR 100 3HG2 THR 100 11.337 5.566 2.590 784 HG22 THR 100 1HG2 THR 100 10.909 5.955 0.925 785 HG23 THR 100 2HG2 THR 100 9.650 5.818 2.149 786 H TYR 101 H TYR 101 12.758 8.807 4.388 787 HA TYR 101 HA TYR 101 14.852 6.792 4.750 788 HB2 TYR 101 2HB TYR 101 14.049 9.120 6.528 789 HB3 TYR 101 1HB TYR 101 15.342 7.981 6.875 790 HD1 TYR 101 1HD TYR 101 17.129 7.783 4.897 791 HD2 TYR 101 2HD TYR 101 14.640 11.151 5.623 792 HE1 TYR 101 1HE TYR 101 18.726 9.213 3.702 793 HE2 TYR 101 2HE TYR 101 16.232 12.589 4.428 794 HH TYR 101 HH TYR 101 18.774 11.332 2.530 795 H GLY 102 H GLY 102 14.282 4.963 5.696 796 HA2 GLY 102 2HA GLY 102 13.284 3.861 7.578 797 HA3 GLY 102 1HA GLY 102 11.971 5.041 7.498 798 H ASP 103 H ASP 103 10.633 3.087 7.495 799 HA ASP 103 HA ASP 103 10.503 1.869 4.842 800 HB2 ASP 103 2HB ASP 103 9.741 0.770 7.542 801 HB3 ASP 103 1HB ASP 103 9.071 0.102 6.061 802 H VAL 104 H VAL 104 8.584 1.735 3.804 803 HA VAL 104 HA VAL 104 6.732 3.812 4.537 804 HB VAL 104 HB VAL 104 7.386 3.586 2.141 805 HG11 VAL 104 1HG1 VAL 104 6.067 0.910 2.303 806 HG12 VAL 104 2HG1 VAL 104 7.737 1.281 1.840 807 HG13 VAL 104 3HG1 VAL 104 6.382 1.778 0.812 808 HG21 VAL 104 3HG2 VAL 104 5.237 4.612 2.655 809 HG22 VAL 104 1HG2 VAL 104 4.456 3.032 2.612 810 HG23 VAL 104 2HG2 VAL 104 5.152 3.713 1.140 811 H VAL 105 H VAL 105 4.965 3.551 5.604 812 HA VAL 105 HA VAL 105 3.821 0.885 5.730 813 HB VAL 105 HB VAL 105 3.156 1.256 8.092 814 HG11 VAL 105 1HG1 VAL 105 5.346 0.905 9.119 815 HG12 VAL 105 2HG1 VAL 105 6.120 1.425 7.621 816 HG13 VAL 105 3HG1 VAL 105 5.142 -0.041 7.644 817 HG21 VAL 105 3HG2 VAL 105 4.927 3.697 7.937 818 HG22 VAL 105 1HG2 VAL 105 4.237 3.030 9.421 819 HG23 VAL 105 2HG2 VAL 105 3.180 3.685 8.172 820 H VAL 106 H VAL 106 1.791 0.788 5.261 821 HA VAL 106 HA VAL 106 0.246 3.258 5.304 822 HB VAL 106 HB VAL 106 -0.127 0.841 3.486 823 HG11 VAL 106 1HG1 VAL 106 -1.660 3.425 3.668 824 HG12 VAL 106 2HG1 VAL 106 -2.257 1.825 4.105 825 HG13 VAL 106 3HG1 VAL 106 -1.885 2.202 2.423 826 HG21 VAL 106 3HG2 VAL 106 0.429 2.364 1.659 827 HG22 VAL 106 1HG2 VAL 106 1.760 2.260 2.808 828 HG23 VAL 106 2HG2 VAL 106 0.700 3.670 2.808 829 H ARG 107 H ARG 107 -1.218 3.250 6.786 830 HA ARG 107 HA ARG 107 -2.008 0.681 8.000 831 HB2 ARG 107 2HB ARG 107 -1.993 3.461 9.159 832 HB3 ARG 107 1HB ARG 107 -2.548 2.012 9.985 833 HG2 ARG 107 2HG ARG 107 0.253 2.205 8.931 834 HG3 ARG 107 1HG ARG 107 -0.175 2.917 10.482 835 HD2 ARG 107 2HD ARG 107 0.790 0.649 10.653 836 HD3 ARG 107 1HD ARG 107 -0.809 0.790 11.359 837 HE ARG 107 HE ARG 107 -1.714 -0.390 9.483 838 HH11 ARG 107 1HH1 ARG 107 1.826 -0.692 9.821 839 HH12 ARG 107 2HH1 ARG 107 1.891 -2.094 8.849 840 HH21 ARG 107 1HH2 ARG 107 -1.585 -2.210 8.182 841 HH22 ARG 107 2HH2 ARG 107 -0.069 -2.979 7.882 842 H PHE 108 H PHE 108 -4.063 0.093 7.724 843 HA PHE 108 HA PHE 108 -5.956 2.153 6.934 844 HB2 PHE 108 2HB PHE 108 -6.007 -0.847 6.660 845 HB3 PHE 108 1HB PHE 108 -7.465 0.118 6.478 846 HD1 PHE 108 1HD PHE 108 -4.050 -0.347 5.128 847 HD2 PHE 108 2HD PHE 108 -7.961 1.151 4.454 848 HE1 PHE 108 1HE PHE 108 -3.493 0.013 2.759 849 HE2 PHE 108 2HE PHE 108 -7.419 1.531 2.083 850 HZ PHE 108 HZ PHE 108 -5.181 0.961 1.231 851 H GLU 109 H GLU 109 -7.215 2.928 8.318 852 HA GLU 109 HA GLU 109 -7.653 1.576 10.893 853 HB2 GLU 109 2HB GLU 109 -7.458 4.489 10.152 854 HB3 GLU 109 1HB GLU 109 -8.001 3.910 11.716 855 HG2 GLU 109 2HG GLU 109 -5.352 3.164 10.583 856 HG3 GLU 109 1HG GLU 109 -5.606 4.671 11.477 857 H GLN 110 H GLN 110 -9.634 2.286 11.897 858 HA GLN 110 HA GLN 110 -11.785 2.906 9.996 859 HB2 GLN 110 2HB GLN 110 -13.297 1.514 11.340 860 HB3 GLN 110 1HB GLN 110 -11.980 0.551 10.686 861 HG2 GLN 110 2HG GLN 110 -10.843 0.621 12.803 862 HG3 GLN 110 1HG GLN 110 -12.096 1.654 13.477 863 HE21 GLN 110 1HE2 GLN 110 -14.065 0.777 14.030 864 HE22 GLN 110 2HE2 GLN 110 -14.309 -0.914 14.168 865 H SER 111 H SER 111 -13.503 4.079 10.960 866 HA SER 111 HA SER 111 -12.967 5.206 13.566 867 HB2 SER 111 2HB SER 111 -11.873 6.729 11.970 868 HB3 SER 111 1HB SER 111 -13.383 6.887 11.080 869 HG SER 111 HG SER 111 -12.535 8.082 13.370 870 H SER 112 H SER 112 -14.796 5.604 14.650 871 HA SER 112 HA SER 112 -17.320 4.909 13.490 872 HB2 SER 112 2HB SER 112 -16.679 6.126 16.191 873 HB3 SER 112 1HB SER 112 -18.177 5.314 15.728 874 HG SER 112 HG SER 112 -17.085 3.390 15.561 875 H ASN 113 H ASN 113 -15.382 7.679 13.896 876 HA ASN 113 HA ASN 113 -17.372 9.748 13.883 877 HB2 ASN 113 2HB ASN 113 -15.057 10.067 14.750 878 HB3 ASN 113 1HB ASN 113 -14.424 9.807 13.139 879 HD21 ASN 113 1HD2 ASN 113 -14.027 12.036 14.865 880 HD22 ASN 113 2HD2 ASN 113 -14.603 13.436 14.049 881 H LEU 114 H LEU 114 -15.388 8.108 11.516 882 HA LEU 114 HA LEU 114 -16.530 9.601 9.327 883 HB2 LEU 114 2HB LEU 114 -14.582 7.304 9.355 884 HB3 LEU 114 1HB LEU 114 -15.143 8.100 7.904 885 HG LEU 114 HG LEU 114 -13.520 9.381 10.099 886 HD11 LEU 114 1HD1 LEU 114 -12.817 8.616 7.274 887 HD12 LEU 114 2HD1 LEU 114 -12.250 7.816 8.739 888 HD13 LEU 114 3HD1 LEU 114 -11.767 9.479 8.398 889 HD21 LEU 114 3HD2 LEU 114 -14.561 10.488 7.494 890 HD22 LEU 114 1HD2 LEU 114 -13.407 11.307 8.556 891 HD23 LEU 114 2HD2 LEU 114 -15.047 10.975 9.113 892 H HIS 115 H HIS 115 -18.114 9.005 8.116 893 HA HIS 115 HA HIS 115 -19.427 6.534 8.813 894 HB2 HIS 115 2HB HIS 115 -20.426 8.947 7.284 895 HB3 HIS 115 1HB HIS 115 -21.398 7.522 7.636 896 HD1 HIS 115 1HD HIS 115 -20.363 10.737 9.065 897 HD2 HIS 115 2HD HIS 115 -21.849 7.128 10.474 898 HE1 HIS 115 1HE HIS 115 -21.149 11.174 11.418 899 H THR 116 H THR 116 -20.651 5.586 6.802 900 HA THR 116 HA THR 116 -18.663 4.506 5.221 901 HB THR 116 HB THR 116 -20.853 3.381 5.664 902 HG1 THR 116 1HG THR 116 -19.336 3.089 3.699 903 HG21 THR 116 3HG2 THR 116 -22.359 5.276 5.232 904 HG22 THR 116 1HG2 THR 116 -22.783 3.894 4.214 905 HG23 THR 116 2HG2 THR 116 -21.886 5.253 3.532 906 H GLY 117 H GLY 117 -17.957 4.800 3.244 907 HA2 GLY 117 2HA GLY 117 -17.804 5.819 1.107 908 HA3 GLY 117 1HA GLY 117 -18.885 7.092 1.663 909 H GLN 118 H GLN 118 -17.338 7.349 4.171 910 HA GLN 118 HA GLN 118 -15.527 9.328 3.106 911 HB2 GLN 118 2HB GLN 118 -16.288 8.712 5.947 912 HB3 GLN 118 1HB GLN 118 -15.311 10.076 5.423 913 HG2 GLN 118 2HG GLN 118 -17.211 10.925 4.140 914 HG3 GLN 118 1HG GLN 118 -18.185 9.571 4.712 915 HE21 GLN 118 1HE2 GLN 118 -16.686 12.552 5.549 916 HE22 GLN 118 2HE2 GLN 118 -17.449 12.751 7.072 917 H PHE 119 H PHE 119 -13.370 9.427 3.426 918 HA PHE 119 HA PHE 119 -12.011 7.577 5.084 919 HB2 PHE 119 2HB PHE 119 -10.726 6.467 3.379 920 HB3 PHE 119 1HB PHE 119 -12.405 6.371 2.884 921 HD1 PHE 119 2HD PHE 119 -13.258 7.962 1.102 922 HD2 PHE 119 1HD PHE 119 -9.126 7.396 1.945 923 HE1 PHE 119 2HE PHE 119 -12.684 8.882 -1.107 924 HE2 PHE 119 1HE PHE 119 -8.544 8.306 -0.242 925 HZ PHE 119 HZ PHE 119 -10.321 9.056 -1.788 926 H ARG 120 H ARG 120 -9.864 8.326 5.379 927 HA ARG 120 HA ARG 120 -9.162 10.775 4.011 928 HB2 ARG 120 2HB ARG 120 -10.363 11.366 6.209 929 HB3 ARG 120 1HB ARG 120 -9.003 10.589 7.019 930 HG2 ARG 120 2HG ARG 120 -7.476 12.176 5.957 931 HG3 ARG 120 1HG ARG 120 -8.853 12.985 5.218 932 HD2 ARG 120 2HD ARG 120 -8.195 14.234 7.153 933 HD3 ARG 120 1HD ARG 120 -9.730 13.445 7.508 934 HE ARG 120 HE ARG 120 -8.089 11.686 8.540 935 HH11 ARG 120 1HH1 ARG 120 -7.960 15.212 8.828 936 HH12 ARG 120 2HH1 ARG 120 -7.121 15.224 10.303 937 HH21 ARG 120 1HH2 ARG 120 -6.950 11.677 10.586 938 HH22 ARG 120 2HH2 ARG 120 -6.574 13.145 11.363 939 H ALA 121 H ALA 121 -6.862 11.144 4.163 940 HA ALA 121 HA ALA 121 -5.282 9.059 5.396 941 HB1 ALA 121 1HB ALA 121 -5.226 9.564 2.428 942 HB2 ALA 121 2HB ALA 121 -5.819 8.107 3.215 943 HB3 ALA 121 3HB ALA 121 -4.106 8.532 3.312 944 H ARG 122 H ARG 122 -3.312 9.776 5.941 945 HA ARG 122 HA ARG 122 -2.392 12.287 4.768 946 HB2 ARG 122 2HB ARG 122 -3.378 12.685 7.080 947 HB3 ARG 122 1HB ARG 122 -2.136 11.617 7.716 948 HG2 ARG 122 2HG ARG 122 -1.350 13.833 8.029 949 HG3 ARG 122 1HG ARG 122 -0.428 13.154 6.688 950 HD2 ARG 122 2HD ARG 122 -2.290 14.226 5.209 951 HD3 ARG 122 1HD ARG 122 -2.604 15.208 6.634 952 HE ARG 122 HE ARG 122 -0.139 15.080 5.077 953 HH11 ARG 122 1HH1 ARG 122 -2.181 16.855 7.368 954 HH12 ARG 122 2HH1 ARG 122 -1.256 18.275 7.336 955 HH21 ARG 122 1HH2 ARG 122 1.149 17.049 5.044 956 HH22 ARG 122 2HH2 ARG 122 0.675 18.409 5.965 957 H GLY 123 H GLY 123 -0.214 12.313 4.330 958 HA2 GLY 123 2HA GLY 123 1.250 9.880 5.039 959 HA3 GLY 123 1HA GLY 123 1.442 10.752 3.517 960 H THR 124 H THR 124 2.797 10.265 6.395 961 HA THR 124 HA THR 124 3.873 12.982 6.497 962 HB THR 124 HB THR 124 4.320 12.486 8.925 963 HG1 THR 124 1HG THR 124 2.564 10.284 8.428 964 HG21 THR 124 3HG2 THR 124 1.989 12.840 9.633 965 HG22 THR 124 1HG2 THR 124 1.430 12.357 8.032 966 HG23 THR 124 2HG2 THR 124 2.377 13.829 8.228 967 H VAL 125 H VAL 125 6.076 13.180 7.039 968 HA VAL 125 HA VAL 125 7.659 10.927 6.148 969 HB VAL 125 HB VAL 125 8.545 13.733 6.895 970 HG11 VAL 125 1HG1 VAL 125 10.674 13.102 5.796 971 HG12 VAL 125 2HG1 VAL 125 10.039 11.465 5.583 972 HG13 VAL 125 3HG1 VAL 125 10.315 12.095 7.204 973 HG21 VAL 125 3HG2 VAL 125 7.128 13.634 4.855 974 HG22 VAL 125 1HG2 VAL 125 8.279 12.496 4.159 975 HG23 VAL 125 2HG2 VAL 125 8.786 14.148 4.515 976 H ASN 126 H ASN 126 7.810 9.503 7.730 977 HA ASN 126 HA ASN 126 8.666 10.423 10.373 978 HB2 ASN 126 2HB ASN 126 6.779 8.813 10.354 979 HB3 ASN 126 1HB ASN 126 7.740 7.690 9.403 980 HD21 ASN 126 1HD2 ASN 126 7.577 6.067 10.934 981 HD22 ASN 126 2HD2 ASN 126 8.396 6.119 12.446 982 HA PRO 127 HA PRO 127 12.475 9.120 8.337 983 HB2 PRO 127 2HB PRO 127 14.125 10.913 9.446 984 HB3 PRO 127 1HB PRO 127 13.026 11.350 8.136 985 HG2 PRO 127 2HG PRO 127 12.828 11.930 11.043 986 HG3 PRO 127 1HG PRO 127 12.280 12.894 9.666 987 HD2 PRO 127 2HD PRO 127 10.672 11.231 11.268 988 HD3 PRO 127 1HD PRO 127 10.226 11.930 9.702 989 H ASP 128 H ASP 128 11.596 9.186 11.634 990 HA ASP 128 HA ASP 128 14.107 7.941 12.395 991 HB2 ASP 128 2HB ASP 128 13.184 9.807 13.838 992 HB3 ASP 128 1HB ASP 128 11.877 8.712 14.283 993 H VAL 129 H VAL 129 13.348 6.292 10.977 994 HA VAL 129 HA VAL 129 11.697 4.322 12.395 995 HB VAL 129 HB VAL 129 12.459 4.338 9.463 996 HG11 VAL 129 1HG1 VAL 129 10.808 2.518 9.242 997 HG12 VAL 129 2HG1 VAL 129 10.553 2.556 10.984 998 HG13 VAL 129 3HG1 VAL 129 12.123 2.086 10.336 999 HG21 VAL 129 3HG2 VAL 129 10.097 4.841 9.015 1000 HG22 VAL 129 1HG2 VAL 129 10.890 6.132 9.920 1001 HG23 VAL 129 2HG2 VAL 129 9.817 5.003 10.749 1002 H GLU 130 H GLU 130 12.864 2.982 13.429 1003 HA GLU 130 HA GLU 130 15.583 2.560 12.740 1004 HB2 GLU 130 2HB GLU 130 15.544 0.917 14.700 1005 HB3 GLU 130 1HB GLU 130 15.270 2.606 15.072 1006 HG2 GLU 130 2HG GLU 130 13.070 0.573 14.787 1007 HG3 GLU 130 1HG GLU 130 13.842 0.970 16.317 1008 H THR 131 H THR 131 16.518 0.604 12.169 1009 HA THR 131 HA THR 131 14.709 -1.369 11.072 1010 HB THR 131 HB THR 131 15.235 0.278 9.271 1011 HG1 THR 131 1HG THR 131 14.834 -1.736 8.535 1012 HG21 THR 131 3HG2 THR 131 17.464 0.975 9.992 1013 HG22 THR 131 1HG2 THR 131 17.522 0.382 8.332 1014 HG23 THR 131 2HG2 THR 131 18.098 -0.635 9.655 1015 H HIS 132 H HIS 132 16.012 -3.294 10.378 1016 HA HIS 132 HA HIS 132 18.379 -3.644 12.048 1017 HB2 HIS 132 2HB HIS 132 16.239 -4.638 13.047 1018 HB3 HIS 132 1HB HIS 132 16.189 -5.706 11.656 1019 HD1 HIS 132 1HD HIS 132 17.540 -5.413 14.993 1020 HD2 HIS 132 2HD HIS 132 18.489 -7.506 11.547 1021 HE1 HIS 132 1HE HIS 132 19.083 -7.262 15.715 Start of MODEL 10 1 H1 MET 1 1HT MET 1 4.879 34.930 -0.824 2 H2 MET 1 2HT MET 1 3.546 34.833 0.163 3 H3 MET 1 3HT MET 1 4.078 36.350 -0.328 4 HA MET 1 HA MET 1 2.116 35.643 -1.533 5 HB2 MET 1 2HB MET 1 4.621 35.502 -3.249 6 HB3 MET 1 1HB MET 1 2.997 35.774 -3.850 7 HG2 MET 1 2HG MET 1 2.888 37.894 -2.646 8 HG3 MET 1 1HG MET 1 4.485 37.597 -1.980 9 HE1 MET 1 2HE MET 1 5.017 40.562 -4.516 10 HE2 MET 1 3HE MET 1 5.224 40.037 -2.845 11 HE3 MET 1 1HE MET 1 3.605 40.260 -3.508 12 H GLY 2 H GLY 2 0.979 33.872 -1.576 13 HA2 GLY 2 2HA GLY 2 1.836 31.582 -3.054 14 HA3 GLY 2 1HA GLY 2 1.734 31.296 -1.320 15 H SER 3 H SER 3 -0.262 33.398 -3.308 16 HA SER 3 HA SER 3 -2.653 32.273 -2.204 17 HB2 SER 3 2HB SER 3 -2.352 34.289 -4.433 18 HB3 SER 3 1HB SER 3 -3.761 34.033 -3.403 19 HG SER 3 HG SER 3 -1.634 35.572 -3.026 20 H GLN 4 H GLN 4 -2.876 30.201 -2.933 21 HA GLN 4 HA GLN 4 -3.456 29.851 -5.735 22 HB2 GLN 4 2HB GLN 4 -1.911 27.980 -5.970 23 HB3 GLN 4 1HB GLN 4 -1.023 29.441 -5.561 24 HG2 GLN 4 2HG GLN 4 -1.005 28.687 -3.196 25 HG3 GLN 4 1HG GLN 4 -1.720 27.167 -3.722 26 HE21 GLN 4 1HE2 GLN 4 0.749 27.628 -2.411 27 HE22 GLN 4 2HE2 GLN 4 2.016 27.029 -3.420 28 H LYS 5 H LYS 5 -4.491 27.757 -6.058 29 HA LYS 5 HA LYS 5 -5.193 26.357 -3.659 30 HB2 LYS 5 2HB LYS 5 -7.608 26.273 -4.201 31 HB3 LYS 5 1HB LYS 5 -7.084 27.888 -3.804 32 HG2 LYS 5 2HG LYS 5 -7.523 26.892 -6.628 33 HG3 LYS 5 1HG LYS 5 -8.757 27.705 -5.684 34 HD2 LYS 5 2HD LYS 5 -6.086 28.872 -6.476 35 HD3 LYS 5 1HD LYS 5 -7.619 29.227 -7.265 36 HE2 LYS 5 2HE LYS 5 -6.887 29.864 -4.390 37 HE3 LYS 5 1HE LYS 5 -6.987 31.012 -5.717 38 HZ1 LYS 5 3HZ LYS 5 -9.271 29.460 -4.615 39 HZ2 LYS 5 1HZ LYS 5 -9.358 30.561 -5.885 40 HZ3 LYS 5 2HZ LYS 5 -8.957 31.089 -4.357 41 H ARG 6 H ARG 6 -4.976 24.329 -3.943 42 HA ARG 6 HA ARG 6 -4.723 23.390 -6.661 43 HB2 ARG 6 2HB ARG 6 -3.740 21.310 -5.634 44 HB3 ARG 6 1HB ARG 6 -2.816 22.780 -5.363 45 HG2 ARG 6 2HG ARG 6 -3.819 22.962 -3.171 46 HG3 ARG 6 1HG ARG 6 -4.661 21.433 -3.450 47 HD2 ARG 6 2HD ARG 6 -2.498 20.295 -3.719 48 HD3 ARG 6 1HD ARG 6 -1.661 21.822 -3.440 49 HE ARG 6 HE ARG 6 -3.419 21.249 -1.326 50 HH11 ARG 6 1HH1 ARG 6 -0.237 20.202 -2.594 51 HH12 ARG 6 2HH1 ARG 6 0.274 19.691 -1.024 52 HH21 ARG 6 1HH2 ARG 6 -2.573 20.543 0.748 53 HH22 ARG 6 2HH2 ARG 6 -0.994 19.862 0.788 54 H LEU 7 H LEU 7 -6.278 22.355 -7.599 55 HA LEU 7 HA LEU 7 -8.451 21.363 -5.902 56 HB2 LEU 7 2HB LEU 7 -8.678 22.749 -8.562 57 HB3 LEU 7 1HB LEU 7 -10.004 22.106 -7.621 58 HG LEU 7 HG LEU 7 -8.235 24.415 -6.821 59 HD11 LEU 7 1HD1 LEU 7 -9.725 24.965 -8.658 60 HD12 LEU 7 2HD1 LEU 7 -10.233 25.770 -7.173 61 HD13 LEU 7 3HD1 LEU 7 -11.102 24.346 -7.746 62 HD21 LEU 7 3HD2 LEU 7 -9.806 24.719 -4.998 63 HD22 LEU 7 1HD2 LEU 7 -9.023 23.146 -4.890 64 HD23 LEU 7 2HD2 LEU 7 -10.680 23.263 -5.487 65 H VAL 8 H VAL 8 -8.063 19.175 -6.057 66 HA VAL 8 HA VAL 8 -7.704 18.065 -8.665 67 HB VAL 8 HB VAL 8 -6.699 16.839 -6.761 68 HG11 VAL 8 1HG1 VAL 8 -9.496 16.398 -5.754 69 HG12 VAL 8 2HG1 VAL 8 -8.241 17.369 -4.986 70 HG13 VAL 8 3HG1 VAL 8 -8.045 15.623 -5.118 71 HG21 VAL 8 3HG2 VAL 8 -8.921 15.277 -8.063 72 HG22 VAL 8 1HG2 VAL 8 -7.526 14.574 -7.245 73 HG23 VAL 8 2HG2 VAL 8 -7.297 15.533 -8.704 74 H GLN 9 H GLN 9 -9.256 18.050 -10.047 75 HA GLN 9 HA GLN 9 -11.927 18.476 -9.165 76 HB2 GLN 9 2HB GLN 9 -10.828 18.144 -11.943 77 HB3 GLN 9 1HB GLN 9 -12.504 18.517 -11.577 78 HG2 GLN 9 2HG GLN 9 -11.756 20.576 -10.441 79 HG3 GLN 9 1HG GLN 9 -10.105 20.216 -10.945 80 HE21 GLN 9 1HE2 GLN 9 -9.583 20.371 -13.125 81 HE22 GLN 9 2HE2 GLN 9 -10.587 21.248 -14.228 82 H ARG 10 H ARG 10 -12.501 16.764 -8.077 83 HA ARG 10 HA ARG 10 -12.620 14.176 -9.315 84 HB2 ARG 10 2HB ARG 10 -13.907 13.504 -7.302 85 HB3 ARG 10 1HB ARG 10 -12.381 14.269 -6.891 86 HG2 ARG 10 2HG ARG 10 -13.512 16.318 -6.402 87 HG3 ARG 10 1HG ARG 10 -15.064 15.595 -6.858 88 HD2 ARG 10 2HD ARG 10 -14.827 13.961 -5.046 89 HD3 ARG 10 1HD ARG 10 -13.266 14.655 -4.616 90 HE ARG 10 HE ARG 10 -15.021 16.735 -4.479 91 HH11 ARG 10 1HH1 ARG 10 -14.938 13.528 -2.933 92 HH12 ARG 10 2HH1 ARG 10 -15.639 14.067 -1.479 93 HH21 ARG 10 1HH2 ARG 10 -15.965 17.448 -2.423 94 HH22 ARG 10 2HH2 ARG 10 -16.222 16.286 -1.191 95 H VAL 11 H VAL 11 -14.569 13.146 -9.980 96 HA VAL 11 HA VAL 11 -16.719 15.060 -10.401 97 HB VAL 11 HB VAL 11 -17.348 13.764 -12.489 98 HG11 VAL 11 1HG1 VAL 11 -14.661 15.132 -12.490 99 HG12 VAL 11 2HG1 VAL 11 -16.236 15.912 -12.645 100 HG13 VAL 11 3HG1 VAL 11 -15.662 14.832 -13.912 101 HG21 VAL 11 3HG2 VAL 11 -16.135 11.714 -12.074 102 HG22 VAL 11 1HG2 VAL 11 -14.595 12.577 -12.102 103 HG23 VAL 11 2HG2 VAL 11 -15.554 12.442 -13.573 104 H GLU 12 H GLU 12 -18.659 14.531 -9.720 105 HA GLU 12 HA GLU 12 -18.950 12.162 -8.171 106 HB2 GLU 12 2HB GLU 12 -21.081 14.110 -9.073 107 HB3 GLU 12 1HB GLU 12 -21.280 12.865 -7.852 108 HG2 GLU 12 2HG GLU 12 -19.535 15.307 -7.690 109 HG3 GLU 12 1HG GLU 12 -20.989 14.963 -6.761 110 H ARG 13 H ARG 13 -19.710 13.129 -11.374 111 HA ARG 13 HA ARG 13 -21.103 10.628 -11.878 112 HB2 ARG 13 2HB ARG 13 -21.855 12.865 -12.863 113 HB3 ARG 13 1HB ARG 13 -20.433 12.780 -13.889 114 HG2 ARG 13 2HG ARG 13 -22.253 11.977 -15.193 115 HG3 ARG 13 1HG ARG 13 -21.301 10.574 -14.727 116 HD2 ARG 13 2HD ARG 13 -23.693 10.143 -14.477 117 HD3 ARG 13 1HD ARG 13 -22.875 10.083 -12.919 118 HE ARG 13 HE ARG 13 -23.866 12.678 -13.405 119 HH11 ARG 13 1HH1 ARG 13 -25.032 9.436 -12.554 120 HH12 ARG 13 2HH1 ARG 13 -26.401 9.971 -11.721 121 HH21 ARG 13 1HH2 ARG 13 -25.771 13.435 -12.255 122 HH22 ARG 13 2HH2 ARG 13 -26.850 12.313 -11.565 123 H LYS 14 H LYS 14 -18.913 9.718 -11.169 124 HA LYS 14 HA LYS 14 -17.088 9.604 -13.415 125 HB2 LYS 14 2HB LYS 14 -15.565 8.306 -11.870 126 HB3 LYS 14 1HB LYS 14 -15.888 9.934 -11.336 127 HG2 LYS 14 2HG LYS 14 -17.592 8.970 -9.750 128 HG3 LYS 14 1HG LYS 14 -17.002 7.371 -10.210 129 HD2 LYS 14 2HD LYS 14 -14.742 7.996 -9.476 130 HD3 LYS 14 1HD LYS 14 -15.331 9.594 -9.019 131 HE2 LYS 14 2HE LYS 14 -16.916 8.429 -7.451 132 HE3 LYS 14 1HE LYS 14 -16.055 6.931 -7.797 133 HZ1 LYS 14 3HZ LYS 14 -14.971 9.375 -6.496 134 HZ2 LYS 14 1HZ LYS 14 -13.978 8.098 -6.953 135 HZ3 LYS 14 2HZ LYS 14 -15.180 7.894 -5.791 136 H LEU 15 H LEU 15 -18.266 8.526 -14.839 137 HA LEU 15 HA LEU 15 -19.300 5.921 -14.078 138 HB2 LEU 15 2HB LEU 15 -19.705 7.483 -16.614 139 HB3 LEU 15 1HB LEU 15 -20.470 5.956 -16.236 140 HG LEU 15 HG LEU 15 -20.903 8.561 -14.781 141 HD11 LEU 15 1HD1 LEU 15 -23.148 8.454 -15.765 142 HD12 LEU 15 2HD1 LEU 15 -22.667 7.016 -16.667 143 HD13 LEU 15 3HD1 LEU 15 -21.886 8.565 -16.990 144 HD21 LEU 15 3HD2 LEU 15 -22.248 5.882 -14.409 145 HD22 LEU 15 1HD2 LEU 15 -22.706 7.383 -13.610 146 HD23 LEU 15 2HD2 LEU 15 -21.142 6.653 -13.269 147 H GLU 16 H GLU 16 -17.360 4.932 -13.901 148 HA GLU 16 HA GLU 16 -16.668 3.282 -15.990 149 HB2 GLU 16 2HB GLU 16 -15.391 5.283 -16.863 150 HB3 GLU 16 1HB GLU 16 -14.455 5.276 -15.373 151 HG2 GLU 16 2HG GLU 16 -13.676 2.996 -15.905 152 HG3 GLU 16 1HG GLU 16 -14.562 3.073 -17.424 153 H GLN 17 H GLN 17 -16.923 1.793 -14.526 154 HA GLN 17 HA GLN 17 -15.213 1.870 -12.166 155 HB2 GLN 17 2HB GLN 17 -17.965 0.793 -12.617 156 HB3 GLN 17 1HB GLN 17 -16.945 0.084 -11.386 157 HG2 GLN 17 2HG GLN 17 -18.434 1.698 -10.402 158 HG3 GLN 17 1HG GLN 17 -16.778 2.253 -10.271 159 HE21 GLN 17 1HE2 GLN 17 -17.348 4.349 -9.984 160 HE22 GLN 17 2HE2 GLN 17 -17.997 5.336 -11.248 161 H THR 18 H THR 18 -13.769 0.300 -11.916 162 HA THR 18 HA THR 18 -13.408 -1.609 -13.954 163 HB THR 18 HB THR 18 -11.620 -2.409 -12.284 164 HG1 THR 18 1HG THR 18 -12.738 -1.407 -10.486 165 HG21 THR 18 3HG2 THR 18 -10.173 -0.470 -12.782 166 HG22 THR 18 1HG2 THR 18 -11.604 0.467 -13.224 167 HG23 THR 18 2HG2 THR 18 -11.138 -0.931 -14.191 168 H VAL 19 H VAL 19 -15.045 -2.980 -14.035 169 HA VAL 19 HA VAL 19 -16.177 -4.003 -11.628 170 HB VAL 19 HB VAL 19 -17.770 -3.401 -13.304 171 HG11 VAL 19 1HG1 VAL 19 -16.446 -3.588 -15.300 172 HG12 VAL 19 2HG1 VAL 19 -17.950 -4.489 -15.491 173 HG13 VAL 19 3HG1 VAL 19 -16.442 -5.344 -15.169 174 HG21 VAL 19 3HG2 VAL 19 -18.425 -5.303 -11.942 175 HG22 VAL 19 1HG2 VAL 19 -17.670 -6.411 -13.087 176 HG23 VAL 19 2HG2 VAL 19 -19.083 -5.476 -13.568 177 H GLY 20 H GLY 20 -14.803 -5.265 -10.651 178 HA2 GLY 20 2HA GLY 20 -14.826 -7.916 -10.883 179 HA3 GLY 20 1HA GLY 20 -13.587 -7.478 -12.050 180 H ASP 21 H ASP 21 -14.509 -6.997 -8.643 181 HA ASP 21 HA ASP 21 -11.851 -7.630 -7.897 182 HB2 ASP 21 2HB ASP 21 -11.689 -5.168 -8.150 183 HB3 ASP 21 1HB ASP 21 -13.031 -4.970 -7.029 184 H ALA 22 H ALA 22 -11.905 -8.760 -6.178 185 HA ALA 22 HA ALA 22 -14.317 -9.746 -5.129 186 HB1 ALA 22 1HB ALA 22 -11.586 -10.024 -3.899 187 HB2 ALA 22 2HB ALA 22 -12.225 -11.037 -5.194 188 HB3 ALA 22 3HB ALA 22 -12.988 -11.056 -3.603 189 H PHE 23 H PHE 23 -12.162 -7.331 -3.860 190 HA PHE 23 HA PHE 23 -13.540 -7.294 -1.346 191 HB2 PHE 23 2HB PHE 23 -11.339 -5.758 -2.554 192 HB3 PHE 23 1HB PHE 23 -11.889 -5.408 -0.891 193 HD1 PHE 23 1HD PHE 23 -11.882 -7.471 0.693 194 HD2 PHE 23 2HD PHE 23 -9.709 -7.305 -2.950 195 HE1 PHE 23 1HE PHE 23 -10.452 -9.314 1.465 196 HE2 PHE 23 2HE PHE 23 -8.269 -9.147 -2.185 197 HZ PHE 23 HZ PHE 23 -8.646 -10.156 0.027 198 H ALA 24 H ALA 24 -13.387 -5.447 -4.271 199 HA ALA 24 HA ALA 24 -15.016 -3.279 -3.558 200 HB1 ALA 24 1HB ALA 24 -14.819 -4.798 -6.137 201 HB2 ALA 24 2HB ALA 24 -13.918 -3.331 -5.703 202 HB3 ALA 24 3HB ALA 24 -15.678 -3.289 -5.937 203 H ARG 25 H ARG 25 -15.786 -6.543 -4.604 204 HA ARG 25 HA ARG 25 -18.594 -6.211 -4.573 205 HB2 ARG 25 2HB ARG 25 -16.864 -8.669 -4.508 206 HB3 ARG 25 1HB ARG 25 -18.622 -8.733 -4.511 207 HG2 ARG 25 2HG ARG 25 -18.646 -7.501 -6.625 208 HG3 ARG 25 1HG ARG 25 -16.882 -7.509 -6.627 209 HD2 ARG 25 2HD ARG 25 -18.547 -10.010 -6.514 210 HD3 ARG 25 1HD ARG 25 -17.997 -9.284 -8.015 211 HE ARG 25 HE ARG 25 -15.715 -9.624 -7.218 212 HH11 ARG 25 1HH1 ARG 25 -18.196 -11.538 -5.563 213 HH12 ARG 25 2HH1 ARG 25 -17.221 -12.898 -5.372 214 HH21 ARG 25 1HH2 ARG 25 -14.370 -11.529 -6.984 215 HH22 ARG 25 2HH2 ARG 25 -14.997 -12.903 -6.191 216 H ILE 26 H ILE 26 -16.271 -6.889 -2.125 217 HA ILE 26 HA ILE 26 -18.139 -7.722 -0.156 218 HB ILE 26 HB ILE 26 -15.398 -6.439 0.189 219 HG12 ILE 26 2HG1 ILE 26 -15.281 -8.598 -0.952 220 HG13 ILE 26 1HG1 ILE 26 -14.595 -8.722 0.662 221 HG21 ILE 26 1HG2 ILE 26 -15.411 -7.311 2.488 222 HG22 ILE 26 2HG2 ILE 26 -17.089 -7.810 2.271 223 HG23 ILE 26 3HG2 ILE 26 -16.663 -6.099 2.212 224 HD11 ILE 26 3HD1 ILE 26 -15.907 -10.682 0.126 225 HD12 ILE 26 1HD1 ILE 26 -17.322 -9.682 -0.202 226 HD13 ILE 26 2HD1 ILE 26 -16.678 -9.784 1.433 227 H PHE 27 H PHE 27 -16.986 -4.570 -1.244 228 HA PHE 27 HA PHE 27 -18.450 -3.113 0.771 229 HB2 PHE 27 2HB PHE 27 -17.060 -2.246 -1.753 230 HB3 PHE 27 1HB PHE 27 -18.009 -1.133 -0.782 231 HD1 PHE 27 1HD PHE 27 -17.274 -0.457 1.396 232 HD2 PHE 27 2HD PHE 27 -14.932 -3.074 -0.981 233 HE1 PHE 27 1HE PHE 27 -15.353 -0.013 2.834 234 HE2 PHE 27 2HE PHE 27 -12.987 -2.648 0.453 235 HZ PHE 27 HZ PHE 27 -13.189 -1.109 2.371 236 H GLY 28 H GLY 28 -19.049 -4.208 -2.480 237 HA2 GLY 28 2HA GLY 28 -21.302 -4.717 -3.104 238 HA3 GLY 28 1HA GLY 28 -21.829 -3.311 -2.188 239 H GLY 29 H GLY 29 -21.567 -1.234 -3.077 240 HA2 GLY 29 2HA GLY 29 -21.416 -1.308 -6.000 241 HA3 GLY 29 1HA GLY 29 -22.176 -0.043 -5.052 242 H SER 30 H SER 30 -19.572 -0.297 -3.340 243 HA SER 30 HA SER 30 -18.142 1.762 -4.729 244 HB2 SER 30 2HB SER 30 -17.265 0.213 -2.284 245 HB3 SER 30 1HB SER 30 -16.800 1.849 -2.749 246 HG SER 30 HG SER 30 -18.894 2.552 -2.324 247 H ILE 31 H ILE 31 -17.160 0.981 -6.546 248 HA ILE 31 HA ILE 31 -15.597 -1.447 -6.228 249 HB ILE 31 HB ILE 31 -17.773 -2.035 -7.157 250 HG12 ILE 31 2HG1 ILE 31 -15.706 -2.328 -9.359 251 HG13 ILE 31 1HG1 ILE 31 -15.772 -3.357 -7.940 252 HG21 ILE 31 1HG2 ILE 31 -18.458 -0.043 -8.181 253 HG22 ILE 31 2HG2 ILE 31 -18.463 -1.308 -9.417 254 HG23 ILE 31 3HG2 ILE 31 -17.153 -0.125 -9.359 255 HD11 ILE 31 3HD1 ILE 31 -18.041 -4.068 -8.628 256 HD12 ILE 31 1HD1 ILE 31 -16.785 -4.482 -9.793 257 HD13 ILE 31 2HD1 ILE 31 -17.853 -3.110 -10.094 258 H VAL 32 H VAL 32 -15.003 1.527 -6.513 259 HA VAL 32 HA VAL 32 -12.969 1.102 -8.598 260 HB VAL 32 HB VAL 32 -13.743 3.802 -7.431 261 HG11 VAL 32 1HG1 VAL 32 -12.224 3.118 -9.937 262 HG12 VAL 32 2HG1 VAL 32 -11.500 3.644 -8.424 263 HG13 VAL 32 3HG1 VAL 32 -12.549 4.742 -9.328 264 HG21 VAL 32 3HG2 VAL 32 -15.665 2.892 -8.606 265 HG22 VAL 32 1HG2 VAL 32 -14.666 2.592 -10.026 266 HG23 VAL 32 2HG2 VAL 32 -14.975 4.248 -9.498 267 HA PRO 33 HA PRO 33 -10.754 0.875 -4.573 268 HB2 PRO 33 2HB PRO 33 -8.926 -0.885 -6.071 269 HB3 PRO 33 1HB PRO 33 -9.822 -1.217 -4.584 270 HG2 PRO 33 2HG PRO 33 -10.503 -2.389 -6.894 271 HG3 PRO 33 1HG PRO 33 -11.736 -1.870 -5.729 272 HD2 PRO 33 2HD PRO 33 -10.786 -0.492 -8.212 273 HD3 PRO 33 1HD PRO 33 -12.454 -0.780 -7.661 274 H GLN 34 H GLN 34 -9.737 1.671 -7.782 275 HA GLN 34 HA GLN 34 -7.112 2.452 -7.049 276 HB2 GLN 34 2HB GLN 34 -8.676 3.057 -9.541 277 HB3 GLN 34 1HB GLN 34 -6.993 3.497 -9.300 278 HG2 GLN 34 2HG GLN 34 -6.392 1.162 -9.035 279 HG3 GLN 34 1HG GLN 34 -8.072 0.686 -9.258 280 HE21 GLN 34 1HE2 GLN 34 -7.672 -0.502 -11.072 281 HE22 GLN 34 2HE2 GLN 34 -7.218 0.200 -12.577 282 H GLU 35 H GLU 35 -10.038 3.949 -6.474 283 HA GLU 35 HA GLU 35 -9.233 6.672 -6.594 284 HB2 GLU 35 2HB GLU 35 -11.254 5.278 -4.825 285 HB3 GLU 35 1HB GLU 35 -11.031 7.017 -4.861 286 HG2 GLU 35 2HG GLU 35 -11.834 5.336 -7.218 287 HG3 GLU 35 1HG GLU 35 -12.949 6.239 -6.192 288 H VAL 36 H VAL 36 -8.821 4.092 -4.310 289 HA VAL 36 HA VAL 36 -7.913 5.641 -2.129 290 HB VAL 36 HB VAL 36 -7.354 2.717 -2.726 291 HG11 VAL 36 1HG1 VAL 36 -5.853 3.611 -1.026 292 HG12 VAL 36 2HG1 VAL 36 -7.007 2.486 -0.313 293 HG13 VAL 36 3HG1 VAL 36 -7.233 4.225 -0.114 294 HG21 VAL 36 3HG2 VAL 36 -9.262 2.234 -1.262 295 HG22 VAL 36 1HG2 VAL 36 -9.752 3.167 -2.676 296 HG23 VAL 36 2HG2 VAL 36 -9.579 3.962 -1.111 297 H GLU 37 H GLU 37 -6.158 3.669 -4.546 298 HA GLU 37 HA GLU 37 -3.622 4.425 -3.586 299 HB2 GLU 37 2HB GLU 37 -2.692 3.404 -5.635 300 HB3 GLU 37 1HB GLU 37 -3.878 2.371 -4.863 301 HG2 GLU 37 2HG GLU 37 -4.631 2.108 -6.958 302 HG3 GLU 37 1HG GLU 37 -5.424 3.652 -6.656 303 H ALA 38 H ALA 38 -5.760 5.889 -5.854 304 HA ALA 38 HA ALA 38 -4.058 7.765 -7.049 305 HB1 ALA 38 1HB ALA 38 -6.064 9.107 -7.439 306 HB2 ALA 38 2HB ALA 38 -6.946 8.146 -6.257 307 HB3 ALA 38 3HB ALA 38 -6.413 7.407 -7.761 308 H LEU 39 H LEU 39 -5.988 7.886 -4.109 309 HA LEU 39 HA LEU 39 -5.233 10.495 -3.398 310 HB2 LEU 39 2HB LEU 39 -7.262 9.268 -2.589 311 HB3 LEU 39 1HB LEU 39 -6.212 8.310 -1.563 312 HG LEU 39 HG LEU 39 -5.548 10.360 -0.353 313 HD11 LEU 39 1HD1 LEU 39 -5.845 11.992 -2.096 314 HD12 LEU 39 2HD1 LEU 39 -6.858 12.402 -0.708 315 HD13 LEU 39 3HD1 LEU 39 -7.577 11.663 -2.136 316 HD21 LEU 39 3HD2 LEU 39 -7.395 9.006 0.479 317 HD22 LEU 39 1HD2 LEU 39 -8.525 9.920 -0.520 318 HD23 LEU 39 2HD2 LEU 39 -7.668 10.718 0.798 319 H LEU 40 H LEU 40 -3.966 7.307 -2.544 320 HA LEU 40 HA LEU 40 -2.068 8.077 -0.657 321 HB2 LEU 40 2HB LEU 40 -2.232 5.770 -2.535 322 HB3 LEU 40 1HB LEU 40 -0.683 6.087 -1.787 323 HG LEU 40 HG LEU 40 -1.733 5.833 0.436 324 HD11 LEU 40 1HD1 LEU 40 -3.991 6.479 -0.074 325 HD12 LEU 40 2HD1 LEU 40 -3.949 4.853 0.614 326 HD13 LEU 40 3HD1 LEU 40 -4.176 5.071 -1.122 327 HD21 LEU 40 3HD2 LEU 40 -0.644 3.935 -0.603 328 HD22 LEU 40 1HD2 LEU 40 -2.140 3.527 -1.445 329 HD23 LEU 40 2HD2 LEU 40 -2.057 3.410 0.312 330 H ARG 41 H ARG 41 -1.603 7.832 -4.176 331 HA ARG 41 HA ARG 41 0.993 8.921 -3.916 332 HB2 ARG 41 2HB ARG 41 0.936 9.150 -6.495 333 HB3 ARG 41 1HB ARG 41 0.863 7.546 -5.812 334 HG2 ARG 41 2HG ARG 41 -1.537 7.478 -6.199 335 HG3 ARG 41 1HG ARG 41 -1.470 9.111 -6.878 336 HD2 ARG 41 2HD ARG 41 -0.214 8.419 -8.719 337 HD3 ARG 41 1HD ARG 41 0.273 6.918 -7.942 338 HE ARG 41 HE ARG 41 -2.303 6.480 -8.138 339 HH11 ARG 41 1HH1 ARG 41 -0.256 8.007 -10.650 340 HH12 ARG 41 2HH1 ARG 41 -1.119 7.247 -11.909 341 HH21 ARG 41 1HH2 ARG 41 -3.321 5.469 -9.859 342 HH22 ARG 41 2HH2 ARG 41 -2.864 5.781 -11.490 343 H ARG 42 H ARG 42 -2.048 10.451 -4.147 344 HA ARG 42 HA ARG 42 -1.057 13.016 -4.931 345 HB2 ARG 42 2HB ARG 42 -3.531 12.281 -3.357 346 HB3 ARG 42 1HB ARG 42 -3.165 13.904 -3.905 347 HG2 ARG 42 2HG ARG 42 -3.290 13.186 -6.206 348 HG3 ARG 42 1HG ARG 42 -3.558 11.522 -5.691 349 HD2 ARG 42 2HD ARG 42 -5.620 12.303 -4.511 350 HD3 ARG 42 1HD ARG 42 -5.366 13.887 -5.249 351 HE ARG 42 HE ARG 42 -5.354 12.457 -7.398 352 HH11 ARG 42 1HH1 ARG 42 -7.542 12.094 -4.635 353 HH12 ARG 42 2HH1 ARG 42 -8.791 11.391 -5.546 354 HH21 ARG 42 1HH2 ARG 42 -7.070 11.469 -8.639 355 HH22 ARG 42 2HH2 ARG 42 -8.520 11.030 -7.878 356 H GLU 43 H GLU 43 -1.715 11.480 -1.812 357 HA GLU 43 HA GLU 43 -0.880 13.704 -0.286 358 HB2 GLU 43 2HB GLU 43 -1.017 10.804 0.545 359 HB3 GLU 43 1HB GLU 43 -0.899 12.176 1.632 360 HG2 GLU 43 2HG GLU 43 -3.202 11.468 -0.169 361 HG3 GLU 43 1HG GLU 43 -3.167 11.425 1.591 362 H ALA 44 H ALA 44 0.762 10.921 -1.594 363 HA ALA 44 HA ALA 44 3.237 11.203 -0.331 364 HB1 ALA 44 1HB ALA 44 2.685 10.299 -3.163 365 HB2 ALA 44 2HB ALA 44 2.645 9.268 -1.734 366 HB3 ALA 44 3HB ALA 44 4.166 9.993 -2.256 367 H ALA 45 H ALA 45 1.958 12.678 -3.283 368 HA ALA 45 HA ALA 45 4.263 14.182 -3.921 369 HB1 ALA 45 1HB ALA 45 1.395 14.689 -4.714 370 HB2 ALA 45 2HB ALA 45 2.530 13.644 -5.571 371 HB3 ALA 45 3HB ALA 45 2.823 15.380 -5.484 372 H ASP 46 H ASP 46 1.636 14.722 -1.762 373 HA ASP 46 HA ASP 46 2.057 17.559 -1.452 374 HB2 ASP 46 2HB ASP 46 -0.145 16.725 -1.086 375 HB3 ASP 46 1HB ASP 46 0.421 15.565 0.113 376 H GLY 47 H GLY 47 3.091 14.666 0.169 377 HA2 GLY 47 2HA GLY 47 4.277 16.154 2.356 378 HA3 GLY 47 1HA GLY 47 4.282 14.410 2.147 379 H ILE 48 H ILE 48 5.190 15.941 -0.675 380 HA ILE 48 HA ILE 48 7.820 15.013 -0.594 381 HB ILE 48 HB ILE 48 6.350 16.866 -2.450 382 HG12 ILE 48 2HG1 ILE 48 5.735 14.538 -2.559 383 HG13 ILE 48 1HG1 ILE 48 6.576 15.011 -4.038 384 HG21 ILE 48 1HG2 ILE 48 9.194 15.969 -2.740 385 HG22 ILE 48 2HG2 ILE 48 8.618 17.624 -2.489 386 HG23 ILE 48 3HG2 ILE 48 8.232 16.766 -3.990 387 HD11 ILE 48 3HD1 ILE 48 8.630 13.967 -3.105 388 HD12 ILE 48 1HD1 ILE 48 7.302 12.837 -3.362 389 HD13 ILE 48 2HD1 ILE 48 7.658 13.397 -1.741 390 H GLN 49 H GLN 49 9.585 15.851 0.064 391 HA GLN 49 HA GLN 49 9.609 18.657 0.821 392 HB2 GLN 49 2HB GLN 49 10.695 16.280 2.270 393 HB3 GLN 49 1HB GLN 49 11.269 17.904 2.611 394 HG2 GLN 49 2HG GLN 49 8.976 18.577 3.077 395 HG3 GLN 49 1HG GLN 49 8.437 16.918 2.824 396 HE21 GLN 49 1HE2 GLN 49 10.864 15.850 4.155 397 HE22 GLN 49 2HE2 GLN 49 10.611 16.130 5.840 398 H SER 50 H SER 50 11.372 19.780 0.414 399 HA SER 50 HA SER 50 12.965 18.851 -1.729 400 HB2 SER 50 2HB SER 50 13.980 21.226 -1.288 401 HB3 SER 50 1HB SER 50 12.357 21.065 -1.966 402 HG SER 50 HG SER 50 12.895 22.449 0.064 403 H LEU 51 H LEU 51 14.632 17.675 -1.475 404 HA LEU 51 HA LEU 51 16.333 17.932 0.899 405 HB2 LEU 51 2HB LEU 51 14.952 15.751 0.446 406 HB3 LEU 51 1HB LEU 51 16.085 15.477 -0.856 407 HG LEU 51 HG LEU 51 17.946 15.425 0.845 408 HD11 LEU 51 1HD1 LEU 51 16.899 16.779 2.571 409 HD12 LEU 51 2HD1 LEU 51 17.378 15.196 3.185 410 HD13 LEU 51 3HD1 LEU 51 15.686 15.521 2.816 411 HD21 LEU 51 3HD2 LEU 51 17.374 13.238 1.747 412 HD22 LEU 51 1HD2 LEU 51 16.915 13.362 0.048 413 HD23 LEU 51 2HD2 LEU 51 15.687 13.495 1.306 414 H GLN 52 H GLN 52 18.511 16.521 -0.218 415 HA GLN 52 HA GLN 52 19.939 18.314 -1.705 416 HB2 GLN 52 2HB GLN 52 20.145 15.321 -1.990 417 HB3 GLN 52 1HB GLN 52 21.395 16.492 -2.357 418 HG2 GLN 52 2HG GLN 52 21.446 17.113 0.032 419 HG3 GLN 52 1HG GLN 52 20.283 15.823 0.347 420 HE21 GLN 52 1HE2 GLN 52 23.514 16.575 -0.533 421 HE22 GLN 52 2HE2 GLN 52 24.164 14.992 -0.323 422 H GLY 53 H GLY 53 20.584 18.321 -3.944 423 HA2 GLY 53 2HA GLY 53 18.331 18.396 -5.687 424 HA3 GLY 53 1HA GLY 53 19.990 18.781 -6.096 425 H ASN 54 H ASN 54 19.853 15.785 -4.769 426 HA ASN 54 HA ASN 54 20.194 14.442 -7.279 427 HB2 ASN 54 2HB ASN 54 19.910 13.266 -4.490 428 HB3 ASN 54 1HB ASN 54 20.419 12.391 -5.927 429 HD21 ASN 54 1HD2 ASN 54 21.779 12.761 -3.419 430 HD22 ASN 54 2HD2 ASN 54 23.290 13.518 -3.778 431 H ARG 55 H ARG 55 17.805 14.554 -4.628 432 HA ARG 55 HA ARG 55 15.620 14.304 -6.265 433 HB2 ARG 55 2HB ARG 55 14.798 12.019 -5.653 434 HB3 ARG 55 1HB ARG 55 16.149 12.067 -6.771 435 HG2 ARG 55 2HG ARG 55 17.659 11.590 -4.936 436 HG3 ARG 55 1HG ARG 55 16.282 11.458 -3.838 437 HD2 ARG 55 2HD ARG 55 15.339 9.673 -5.188 438 HD3 ARG 55 1HD ARG 55 16.683 9.798 -6.316 439 HE ARG 55 HE ARG 55 17.985 9.323 -4.107 440 HH11 ARG 55 1HH1 ARG 55 14.975 7.806 -5.236 441 HH12 ARG 55 2HH1 ARG 55 15.342 6.269 -4.614 442 HH21 ARG 55 1HH2 ARG 55 18.483 7.185 -3.251 443 HH22 ARG 55 2HH2 ARG 55 17.376 5.902 -3.470 444 H LEU 56 H LEU 56 13.603 13.695 -5.076 445 HA LEU 56 HA LEU 56 13.565 15.437 -2.731 446 HB2 LEU 56 2HB LEU 56 11.325 14.328 -4.397 447 HB3 LEU 56 1HB LEU 56 11.189 15.538 -3.137 448 HG LEU 56 HG LEU 56 12.734 15.917 -5.699 449 HD11 LEU 56 1HD1 LEU 56 10.915 17.381 -6.367 450 HD12 LEU 56 2HD1 LEU 56 10.044 16.981 -4.897 451 HD13 LEU 56 3HD1 LEU 56 10.335 15.734 -6.113 452 HD21 LEU 56 3HD2 LEU 56 13.603 17.251 -3.856 453 HD22 LEU 56 1HD2 LEU 56 11.978 17.848 -3.512 454 HD23 LEU 56 2HD2 LEU 56 12.771 18.264 -5.030 455 H LEU 57 H LEU 57 12.406 14.994 -0.888 456 HA LEU 57 HA LEU 57 12.565 12.203 -0.089 457 HB2 LEU 57 2HB LEU 57 13.709 14.148 1.123 458 HB3 LEU 57 1HB LEU 57 12.119 14.697 1.568 459 HG LEU 57 HG LEU 57 13.360 13.543 3.384 460 HD11 LEU 57 1HD1 LEU 57 10.842 12.127 2.559 461 HD12 LEU 57 2HD1 LEU 57 10.957 13.607 3.515 462 HD13 LEU 57 3HD1 LEU 57 11.577 12.088 4.163 463 HD21 LEU 57 3HD2 LEU 57 14.578 11.925 2.092 464 HD22 LEU 57 1HD2 LEU 57 13.080 11.124 1.621 465 HD23 LEU 57 2HD2 LEU 57 13.599 11.104 3.304 466 H ALA 58 H ALA 58 10.729 11.078 0.249 467 HA ALA 58 HA ALA 58 8.148 12.473 0.129 468 HB1 ALA 58 1HB ALA 58 7.267 10.373 -0.824 469 HB2 ALA 58 2HB ALA 58 8.879 9.663 -0.728 470 HB3 ALA 58 3HB ALA 58 8.579 11.024 -1.807 471 HA PRO 59 HA PRO 59 7.148 10.811 4.174 472 HB2 PRO 59 2HB PRO 59 4.525 9.936 3.109 473 HB3 PRO 59 1HB PRO 59 4.880 11.051 4.432 474 HG2 PRO 59 2HG PRO 59 3.963 11.968 2.120 475 HG3 PRO 59 1HG PRO 59 5.229 12.834 3.014 476 HD2 PRO 59 2HD PRO 59 5.500 11.035 0.628 477 HD3 PRO 59 1HD PRO 59 6.264 12.610 0.945 478 H ASN 60 H ASN 60 6.740 8.878 5.321 479 HA ASN 60 HA ASN 60 6.970 6.394 3.737 480 HB2 ASN 60 2HB ASN 60 8.436 5.492 5.478 481 HB3 ASN 60 1HB ASN 60 9.124 6.959 4.795 482 HD21 ASN 60 1HD2 ASN 60 9.641 5.717 7.355 483 HD22 ASN 60 2HD2 ASN 60 9.276 6.877 8.583 484 H GLU 61 H GLU 61 5.399 8.102 6.237 485 HA GLU 61 HA GLU 61 4.235 5.688 7.420 486 HB2 GLU 61 2HB GLU 61 5.539 7.497 8.668 487 HB3 GLU 61 1HB GLU 61 4.161 8.534 8.393 488 HG2 GLU 61 2HG GLU 61 4.186 5.977 9.984 489 HG3 GLU 61 1HG GLU 61 4.207 7.635 10.591 490 H TYR 62 H TYR 62 2.316 5.250 6.419 491 HA TYR 62 HA TYR 62 0.595 7.517 5.698 492 HB2 TYR 62 2HB TYR 62 1.060 4.981 4.164 493 HB3 TYR 62 1HB TYR 62 -0.262 6.089 3.818 494 HD1 TYR 62 2HD TYR 62 3.381 5.607 3.723 495 HD2 TYR 62 1HD TYR 62 0.150 8.166 2.663 496 HE1 TYR 62 2HE TYR 62 4.875 6.871 2.252 497 HE2 TYR 62 1HE TYR 62 1.644 9.438 1.179 498 HH TYR 62 HH TYR 62 4.845 8.342 0.449 499 H ILE 63 H ILE 63 -1.360 7.467 6.454 500 HA ILE 63 HA ILE 63 -2.465 4.914 7.314 501 HB ILE 63 HB ILE 63 -2.699 7.548 8.810 502 HG12 ILE 63 2HG1 ILE 63 -1.526 4.869 9.610 503 HG13 ILE 63 1HG1 ILE 63 -0.637 6.354 9.304 504 HG21 ILE 63 1HG2 ILE 63 -4.113 4.935 9.331 505 HG22 ILE 63 2HG2 ILE 63 -4.861 6.433 8.779 506 HG23 ILE 63 3HG2 ILE 63 -4.148 6.341 10.394 507 HD11 ILE 63 3HD1 ILE 63 -2.615 5.925 11.525 508 HD12 ILE 63 1HD1 ILE 63 -1.670 7.387 11.247 509 HD13 ILE 63 2HD1 ILE 63 -0.865 5.876 11.686 510 H ILE 64 H ILE 64 -4.246 4.476 6.348 511 HA ILE 64 HA ILE 64 -5.803 6.618 5.141 512 HB ILE 64 HB ILE 64 -5.828 3.630 4.515 513 HG12 ILE 64 2HG1 ILE 64 -5.127 4.411 2.206 514 HG13 ILE 64 1HG1 ILE 64 -4.798 5.983 2.921 515 HG21 ILE 64 1HG2 ILE 64 -7.404 5.857 3.237 516 HG22 ILE 64 2HG2 ILE 64 -8.040 4.602 4.293 517 HG23 ILE 64 3HG2 ILE 64 -7.387 4.173 2.711 518 HD11 ILE 64 3HD1 ILE 64 -2.771 4.685 2.632 519 HD12 ILE 64 1HD1 ILE 64 -3.454 3.393 3.619 520 HD13 ILE 64 2HD1 ILE 64 -3.102 4.963 4.344 521 H THR 65 H THR 65 -7.574 7.105 6.081 522 HA THR 65 HA THR 65 -8.575 5.324 8.162 523 HB THR 65 HB THR 65 -9.021 8.304 7.934 524 HG1 THR 65 1HG THR 65 -6.843 6.838 8.602 525 HG21 THR 65 3HG2 THR 65 -10.547 7.021 9.402 526 HG22 THR 65 1HG2 THR 65 -9.504 8.103 10.326 527 HG23 THR 65 2HG2 THR 65 -9.151 6.374 10.264 528 H LEU 66 H LEU 66 -10.455 4.463 7.812 529 HA LEU 66 HA LEU 66 -12.359 5.594 5.879 530 HB2 LEU 66 2HB LEU 66 -11.557 2.805 6.566 531 HB3 LEU 66 1HB LEU 66 -13.241 3.078 6.208 532 HG LEU 66 HG LEU 66 -12.056 2.227 4.264 533 HD11 LEU 66 1HD1 LEU 66 -12.915 5.069 3.934 534 HD12 LEU 66 2HD1 LEU 66 -13.935 3.634 3.868 535 HD13 LEU 66 3HD1 LEU 66 -12.706 3.899 2.632 536 HD21 LEU 66 3HD2 LEU 66 -9.824 3.078 4.732 537 HD22 LEU 66 1HD2 LEU 66 -10.384 4.725 4.443 538 HD23 LEU 66 2HD2 LEU 66 -10.357 3.560 3.120 539 H GLY 67 H GLY 67 -14.635 4.522 6.537 540 HA2 GLY 67 2HA GLY 67 -15.182 5.439 9.219 541 HA3 GLY 67 1HA GLY 67 -16.363 4.924 8.015 542 H VAL 68 H VAL 68 -16.771 4.004 10.446 543 HA VAL 68 HA VAL 68 -15.432 1.688 11.269 544 HB VAL 68 HB VAL 68 -18.329 2.429 11.722 545 HG11 VAL 68 1HG1 VAL 68 -18.202 0.976 13.714 546 HG12 VAL 68 2HG1 VAL 68 -16.570 0.502 13.248 547 HG13 VAL 68 3HG1 VAL 68 -17.937 0.072 12.223 548 HG21 VAL 68 3HG2 VAL 68 -16.821 4.173 12.481 549 HG22 VAL 68 1HG2 VAL 68 -15.874 2.992 13.387 550 HG23 VAL 68 2HG2 VAL 68 -17.532 3.350 13.867 551 H HIS 69 H HIS 69 -18.398 2.008 9.357 552 HA HIS 69 HA HIS 69 -18.950 -0.733 9.017 553 HB2 HIS 69 2HB HIS 69 -20.597 1.053 8.543 554 HB3 HIS 69 1HB HIS 69 -19.624 1.582 7.183 555 HD1 HIS 69 1HD HIS 69 -19.917 0.306 4.935 556 HD2 HIS 69 2HD HIS 69 -21.951 -1.399 8.144 557 HE1 HIS 69 1HE HIS 69 -21.417 -1.420 3.959 558 H ASP 70 H ASP 70 -17.091 1.534 7.177 559 HA ASP 70 HA ASP 70 -16.572 -0.055 4.914 560 HB2 ASP 70 2HB ASP 70 -15.074 2.310 6.028 561 HB3 ASP 70 1HB ASP 70 -14.947 1.692 4.377 562 H PHE 71 H PHE 71 -14.787 0.593 7.914 563 HA PHE 71 HA PHE 71 -12.512 -0.878 7.221 564 HB2 PHE 71 2HB PHE 71 -12.544 0.792 8.956 565 HB3 PHE 71 1HB PHE 71 -13.688 -0.156 9.904 566 HD1 PHE 71 1HD PHE 71 -10.282 -0.075 8.555 567 HD2 PHE 71 2HD PHE 71 -12.928 -1.808 11.353 568 HE1 PHE 71 1HE PHE 71 -8.363 -1.160 9.663 569 HE2 PHE 71 2HE PHE 71 -11.033 -2.915 12.490 570 HZ PHE 71 HZ PHE 71 -8.743 -2.590 11.640 571 H GLU 72 H GLU 72 -15.589 -1.722 8.619 572 HA GLU 72 HA GLU 72 -14.962 -4.346 9.393 573 HB2 GLU 72 2HB GLU 72 -17.557 -3.080 8.584 574 HB3 GLU 72 1HB GLU 72 -17.419 -4.712 9.224 575 HG2 GLU 72 2HG GLU 72 -16.531 -2.221 10.656 576 HG3 GLU 72 1HG GLU 72 -18.072 -3.033 10.930 577 H LYS 73 H LYS 73 -15.709 -2.938 6.320 578 HA LYS 73 HA LYS 73 -16.057 -5.471 4.975 579 HB2 LYS 73 2HB LYS 73 -15.787 -2.627 4.070 580 HB3 LYS 73 1HB LYS 73 -15.488 -3.903 2.915 581 HG2 LYS 73 2HG LYS 73 -17.723 -3.004 2.675 582 HG3 LYS 73 1HG LYS 73 -17.800 -4.684 3.165 583 HD2 LYS 73 2HD LYS 73 -18.038 -2.458 5.163 584 HD3 LYS 73 1HD LYS 73 -19.428 -2.943 4.199 585 HE2 LYS 73 2HE LYS 73 -19.121 -5.256 5.070 586 HE3 LYS 73 1HE LYS 73 -17.844 -4.649 6.124 587 HZ1 LYS 73 3HZ LYS 73 -19.953 -4.811 7.263 588 HZ2 LYS 73 1HZ LYS 73 -20.684 -3.800 6.147 589 HZ3 LYS 73 2HZ LYS 73 -19.483 -3.214 7.192 590 H LEU 74 H LEU 74 -13.513 -3.183 5.619 591 HA LEU 74 HA LEU 74 -11.476 -4.355 4.021 592 HB2 LEU 74 2HB LEU 74 -11.231 -2.662 6.511 593 HB3 LEU 74 1HB LEU 74 -9.895 -3.089 5.468 594 HG LEU 74 HG LEU 74 -12.247 -1.360 4.691 595 HD11 LEU 74 1HD1 LEU 74 -9.370 -0.664 5.236 596 HD12 LEU 74 2HD1 LEU 74 -10.742 -0.262 6.266 597 HD13 LEU 74 3HD1 LEU 74 -10.606 0.449 4.657 598 HD21 LEU 74 3HD2 LEU 74 -11.389 -2.612 2.775 599 HD22 LEU 74 1HD2 LEU 74 -9.745 -2.098 3.164 600 HD23 LEU 74 2HD2 LEU 74 -10.942 -0.911 2.653 601 H GLY 75 H GLY 75 -12.888 -5.201 6.987 602 HA2 GLY 75 2HA GLY 75 -10.864 -6.674 8.242 603 HA3 GLY 75 1HA GLY 75 -12.590 -6.922 8.451 604 H ALA 76 H ALA 76 -12.316 -7.332 5.296 605 HA ALA 76 HA ALA 76 -12.259 -10.175 5.385 606 HB1 ALA 76 1HB ALA 76 -12.445 -10.052 2.938 607 HB2 ALA 76 2HB ALA 76 -12.122 -8.319 3.000 608 HB3 ALA 76 3HB ALA 76 -13.597 -8.965 3.717 609 H ASP 77 H ASP 77 -9.920 -7.648 4.569 610 HA ASP 77 HA ASP 77 -7.737 -9.477 4.918 611 HB2 ASP 77 2HB ASP 77 -8.314 -9.764 2.489 612 HB3 ASP 77 1HB ASP 77 -8.026 -8.045 2.262 613 HA PRO 78 HA PRO 78 -7.171 -5.197 6.307 614 HB2 PRO 78 2HB PRO 78 -6.138 -5.805 8.752 615 HB3 PRO 78 1HB PRO 78 -7.867 -5.682 8.419 616 HG2 PRO 78 2HG PRO 78 -6.181 -8.081 8.812 617 HG3 PRO 78 1HG PRO 78 -7.905 -7.853 9.126 618 HD2 PRO 78 2HD PRO 78 -6.770 -9.165 6.921 619 HD3 PRO 78 1HD PRO 78 -8.459 -8.658 7.078 620 H GLU 79 H GLU 79 -4.753 -7.747 6.930 621 HA GLU 79 HA GLU 79 -2.753 -5.701 7.006 622 HB2 GLU 79 2HB GLU 79 -1.257 -7.821 7.562 623 HB3 GLU 79 1HB GLU 79 -2.225 -6.990 8.762 624 HG2 GLU 79 2HG GLU 79 -2.441 -9.390 9.008 625 HG3 GLU 79 1HG GLU 79 -3.976 -8.686 8.534 626 H LEU 80 H LEU 80 -3.495 -8.378 4.871 627 HA LEU 80 HA LEU 80 -1.048 -8.181 3.493 628 HB2 LEU 80 2HB LEU 80 -2.672 -10.150 3.456 629 HB3 LEU 80 1HB LEU 80 -3.637 -9.230 2.332 630 HG LEU 80 HG LEU 80 -2.262 -11.000 1.249 631 HD11 LEU 80 1HD1 LEU 80 -2.907 -9.113 -0.118 632 HD12 LEU 80 2HD1 LEU 80 -1.289 -9.668 -0.555 633 HD13 LEU 80 3HD1 LEU 80 -1.494 -8.215 0.425 634 HD21 LEU 80 3HD2 LEU 80 0.139 -10.741 1.061 635 HD22 LEU 80 1HD2 LEU 80 -0.352 -10.931 2.743 636 HD23 LEU 80 2HD2 LEU 80 0.089 -9.336 2.122 637 H LYS 81 H LYS 81 -4.281 -6.904 2.609 638 HA LYS 81 HA LYS 81 -3.373 -5.426 0.447 639 HB2 LYS 81 2HB LYS 81 -5.739 -4.846 2.219 640 HB3 LYS 81 1HB LYS 81 -5.369 -3.922 0.770 641 HG2 LYS 81 2HG LYS 81 -5.505 -6.016 -0.548 642 HG3 LYS 81 1HG LYS 81 -5.984 -6.859 0.925 643 HD2 LYS 81 2HD LYS 81 -7.960 -6.371 -0.318 644 HD3 LYS 81 1HD LYS 81 -7.923 -5.315 1.096 645 HE2 LYS 81 2HE LYS 81 -8.642 -4.082 -0.880 646 HE3 LYS 81 1HE LYS 81 -7.097 -3.471 -0.310 647 HZ1 LYS 81 3HZ LYS 81 -7.158 -3.713 -2.729 648 HZ2 LYS 81 1HZ LYS 81 -7.496 -5.341 -2.587 649 HZ3 LYS 81 2HZ LYS 81 -5.999 -4.749 -2.099 650 H SER 82 H SER 82 -3.150 -4.558 3.827 651 HA SER 82 HA SER 82 -2.488 -1.849 3.442 652 HB2 SER 82 2HB SER 82 -1.608 -3.749 5.633 653 HB3 SER 82 1HB SER 82 -1.375 -2.001 5.679 654 HG SER 82 HG SER 82 -3.801 -3.469 5.736 655 H THR 83 H THR 83 -0.444 -4.752 3.564 656 HA THR 83 HA THR 83 1.941 -3.341 3.018 657 HB THR 83 HB THR 83 1.297 -6.289 2.710 658 HG1 THR 83 1HG THR 83 1.396 -6.327 4.801 659 HG21 THR 83 3HG2 THR 83 3.721 -6.604 3.007 660 HG22 THR 83 1HG2 THR 83 3.945 -4.854 3.071 661 HG23 THR 83 2HG2 THR 83 3.389 -5.616 1.581 662 H GLY 84 H GLY 84 -0.500 -4.962 1.065 663 HA2 GLY 84 2HA GLY 84 0.735 -4.972 -1.431 664 HA3 GLY 84 1HA GLY 84 -1.000 -4.826 -1.166 665 H PHE 85 H PHE 85 -1.262 -2.443 0.066 666 HA PHE 85 HA PHE 85 -0.810 -0.594 -2.029 667 HB2 PHE 85 2HB PHE 85 -1.948 -0.337 0.725 668 HB3 PHE 85 1HB PHE 85 -1.564 1.111 -0.198 669 HD1 PHE 85 2HD PHE 85 -3.751 -1.828 0.025 670 HD2 PHE 85 1HD PHE 85 -2.832 1.711 -2.141 671 HE1 PHE 85 2HE PHE 85 -5.915 -1.975 -1.135 672 HE2 PHE 85 1HE PHE 85 -4.984 1.581 -3.294 673 HZ PHE 85 HZ PHE 85 -6.538 -0.271 -2.798 674 H ALA 86 H ALA 86 0.845 -1.199 1.011 675 HA ALA 86 HA ALA 86 2.531 1.046 0.960 676 HB1 ALA 86 1HB ALA 86 2.294 -0.474 2.918 677 HB2 ALA 86 2HB ALA 86 3.959 -0.114 2.513 678 HB3 ALA 86 3HB ALA 86 3.263 -1.678 2.059 679 H ARG 87 H ARG 87 2.987 -2.168 -0.388 680 HA ARG 87 HA ARG 87 5.546 -1.716 -1.491 681 HB2 ARG 87 2HB ARG 87 4.472 -3.961 -1.030 682 HB3 ARG 87 1HB ARG 87 3.410 -3.679 -2.387 683 HG2 ARG 87 2HG ARG 87 6.410 -3.820 -2.668 684 HG3 ARG 87 1HG ARG 87 5.382 -5.239 -2.759 685 HD2 ARG 87 2HD ARG 87 4.218 -4.252 -4.693 686 HD3 ARG 87 1HD ARG 87 5.262 -2.833 -4.585 687 HE ARG 87 HE ARG 87 6.690 -5.298 -4.793 688 HH11 ARG 87 1HH1 ARG 87 5.048 -2.842 -6.742 689 HH12 ARG 87 2HH1 ARG 87 5.997 -3.109 -8.122 690 HH21 ARG 87 1HH2 ARG 87 7.979 -5.660 -6.697 691 HH22 ARG 87 2HH2 ARG 87 7.696 -4.727 -8.096 692 H ASP 88 H ASP 88 2.272 -1.358 -2.723 693 HA ASP 88 HA ASP 88 2.989 -0.819 -5.405 694 HB2 ASP 88 2HB ASP 88 0.716 -1.554 -4.515 695 HB3 ASP 88 1HB ASP 88 0.481 0.114 -4.022 696 H LEU 89 H LEU 89 2.237 1.270 -2.662 697 HA LEU 89 HA LEU 89 2.583 3.691 -4.083 698 HB2 LEU 89 2HB LEU 89 1.290 3.552 -2.019 699 HB3 LEU 89 1HB LEU 89 2.736 3.139 -1.127 700 HG LEU 89 HG LEU 89 3.660 5.362 -1.569 701 HD11 LEU 89 1HD1 LEU 89 1.035 5.882 -2.965 702 HD12 LEU 89 2HD1 LEU 89 2.636 5.855 -3.705 703 HD13 LEU 89 3HD1 LEU 89 2.224 7.107 -2.538 704 HD21 LEU 89 3HD2 LEU 89 2.351 4.979 0.439 705 HD22 LEU 89 1HD2 LEU 89 0.876 5.398 -0.430 706 HD23 LEU 89 2HD2 LEU 89 2.116 6.620 -0.163 707 H ALA 90 H ALA 90 4.765 1.673 -2.170 708 HA ALA 90 HA ALA 90 6.987 3.387 -2.179 709 HB1 ALA 90 1HB ALA 90 6.949 0.361 -2.229 710 HB2 ALA 90 2HB ALA 90 6.881 1.365 -0.783 711 HB3 ALA 90 3HB ALA 90 8.333 1.364 -1.791 712 H ASP 91 H ASP 91 5.764 1.064 -4.440 713 HA ASP 91 HA ASP 91 7.908 1.153 -6.277 714 HB2 ASP 91 2HB ASP 91 6.155 -0.641 -6.120 715 HB3 ASP 91 1HB ASP 91 5.018 0.483 -6.844 716 H TYR 92 H TYR 92 4.817 2.872 -6.084 717 HA TYR 92 HA TYR 92 5.058 4.522 -8.327 718 HB2 TYR 92 2HB TYR 92 3.611 4.835 -5.743 719 HB3 TYR 92 1HB TYR 92 3.777 6.237 -6.786 720 HD1 TYR 92 2HD TYR 92 3.068 5.893 -9.235 721 HD2 TYR 92 1HD TYR 92 1.819 3.403 -6.051 722 HE1 TYR 92 2HE TYR 92 1.120 5.196 -10.559 723 HE2 TYR 92 1HE TYR 92 -0.131 2.689 -7.351 724 HH TYR 92 HH TYR 92 -1.516 3.473 -9.228 725 H ILE 93 H ILE 93 6.180 5.212 -5.011 726 HA ILE 93 HA ILE 93 7.165 7.730 -5.807 727 HB ILE 93 HB ILE 93 8.388 7.881 -3.666 728 HG12 ILE 93 2HG1 ILE 93 7.450 5.043 -3.195 729 HG13 ILE 93 1HG1 ILE 93 9.111 5.507 -3.523 730 HG21 ILE 93 1HG2 ILE 93 6.457 7.724 -2.164 731 HG22 ILE 93 2HG2 ILE 93 5.606 6.764 -3.374 732 HG23 ILE 93 3HG2 ILE 93 6.016 8.442 -3.718 733 HD11 ILE 93 3HD1 ILE 93 7.495 6.316 -1.108 734 HD12 ILE 93 1HD1 ILE 93 9.164 6.788 -1.435 735 HD13 ILE 93 2HD1 ILE 93 8.769 5.094 -1.152 736 H GLN 94 H GLN 94 8.590 4.567 -5.799 737 HA GLN 94 HA GLN 94 11.216 5.401 -6.399 738 HB2 GLN 94 2HB GLN 94 9.768 2.826 -6.885 739 HB3 GLN 94 1HB GLN 94 11.434 3.079 -7.392 740 HG2 GLN 94 2HG GLN 94 12.058 3.514 -5.048 741 HG3 GLN 94 1HG GLN 94 10.379 3.318 -4.562 742 HE21 GLN 94 1HE2 GLN 94 12.733 1.919 -3.696 743 HE22 GLN 94 2HE2 GLN 94 12.488 0.245 -3.980 744 H GLU 95 H GLU 95 8.379 4.792 -8.437 745 HA GLU 95 HA GLU 95 9.626 4.909 -10.889 746 HB2 GLU 95 2HB GLU 95 6.906 5.770 -9.969 747 HB3 GLU 95 1HB GLU 95 7.377 5.914 -11.639 748 HG2 GLU 95 2HG GLU 95 7.707 3.456 -11.677 749 HG3 GLU 95 1HG GLU 95 7.093 3.405 -10.020 750 H GLN 96 H GLN 96 8.316 7.324 -8.759 751 HA GLN 96 HA GLN 96 8.728 9.579 -10.460 752 HB2 GLN 96 2HB GLN 96 8.291 9.576 -7.487 753 HB3 GLN 96 1HB GLN 96 7.982 10.896 -8.604 754 HG2 GLN 96 2HG GLN 96 6.498 8.279 -8.416 755 HG3 GLN 96 1HG GLN 96 5.899 9.868 -7.965 756 HE21 GLN 96 1HE2 GLN 96 4.939 7.852 -9.866 757 HE22 GLN 96 2HE2 GLN 96 4.791 8.643 -11.381 758 H GLY 97 H GLY 97 10.771 7.754 -8.518 759 HA2 GLY 97 2HA GLY 97 13.032 7.946 -8.277 760 HA3 GLY 97 1HA GLY 97 12.962 9.510 -9.074 761 H TRP 98 H TRP 98 11.024 8.703 -6.282 762 HA TRP 98 HA TRP 98 12.479 10.783 -4.844 763 HB2 TRP 98 2HB TRP 98 9.805 9.502 -4.224 764 HB3 TRP 98 1HB TRP 98 10.553 10.792 -3.287 765 HD1 TRP 98 HD TRP 98 11.467 12.546 -5.899 766 HE1 TRP 98 1HE TRP 98 9.645 13.881 -7.147 767 HE3 TRP 98 3HE TRP 98 7.339 9.990 -4.297 768 HZ2 TRP 98 2HZ TRP 98 6.844 13.867 -7.402 769 HZ3 TRP 98 3HZ TRP 98 5.119 10.722 -5.085 770 HH2 TRP 98 HH TRP 98 4.882 12.618 -6.606 771 H GLN 99 H GLN 99 12.528 10.342 -2.369 772 HA GLN 99 HA GLN 99 13.203 7.553 -1.824 773 HB2 GLN 99 2HB GLN 99 15.301 8.258 -0.715 774 HB3 GLN 99 1HB GLN 99 15.317 8.565 -2.445 775 HG2 GLN 99 2HG GLN 99 14.858 10.924 -2.031 776 HG3 GLN 99 1HG GLN 99 14.807 10.611 -0.296 777 HE21 GLN 99 1HE2 GLN 99 16.582 12.359 -1.824 778 HE22 GLN 99 2HE2 GLN 99 18.178 11.804 -1.466 779 H THR 100 H THR 100 13.639 7.325 0.642 780 HA THR 100 HA THR 100 12.456 9.301 2.305 781 HB THR 100 HB THR 100 10.432 8.189 1.303 782 HG1 THR 100 1HG THR 100 9.795 8.901 3.109 783 HG21 THR 100 3HG2 THR 100 11.319 5.911 1.040 784 HG22 THR 100 1HG2 THR 100 9.852 5.893 2.022 785 HG23 THR 100 2HG2 THR 100 11.431 5.747 2.794 786 H TYR 101 H TYR 101 12.110 8.039 4.601 787 HA TYR 101 HA TYR 101 14.586 6.476 4.952 788 HB2 TYR 101 2HB TYR 101 13.347 8.429 6.916 789 HB3 TYR 101 1HB TYR 101 14.738 7.408 7.249 790 HD1 TYR 101 1HD TYR 101 16.790 7.726 5.704 791 HD2 TYR 101 2HD TYR 101 13.650 10.573 6.070 792 HE1 TYR 101 1HE TYR 101 18.278 9.476 4.841 793 HE2 TYR 101 2HE TYR 101 15.136 12.328 5.195 794 HH TYR 101 HH TYR 101 18.012 11.587 3.664 795 H GLY 102 H GLY 102 14.167 4.457 5.555 796 HA2 GLY 102 2HA GLY 102 13.278 3.007 7.245 797 HA3 GLY 102 1HA GLY 102 11.846 4.031 7.304 798 H ASP 103 H ASP 103 10.472 2.342 6.917 799 HA ASP 103 HA ASP 103 10.497 1.346 4.165 800 HB2 ASP 103 2HB ASP 103 10.846 -0.506 5.749 801 HB3 ASP 103 1HB ASP 103 9.436 0.007 6.671 802 H VAL 104 H VAL 104 8.497 1.427 3.151 803 HA VAL 104 HA VAL 104 6.798 3.532 4.087 804 HB VAL 104 HB VAL 104 6.411 1.679 1.705 805 HG11 VAL 104 1HG1 VAL 104 5.079 4.312 2.357 806 HG12 VAL 104 2HG1 VAL 104 4.311 2.726 2.395 807 HG13 VAL 104 3HG1 VAL 104 4.867 3.397 0.863 808 HG21 VAL 104 3HG2 VAL 104 7.573 4.459 1.851 809 HG22 VAL 104 1HG2 VAL 104 7.278 3.552 0.368 810 HG23 VAL 104 2HG2 VAL 104 8.473 2.975 1.532 811 H VAL 105 H VAL 105 5.418 3.222 5.618 812 HA VAL 105 HA VAL 105 4.131 0.623 5.872 813 HB VAL 105 HB VAL 105 3.678 1.216 8.267 814 HG11 VAL 105 1HG1 VAL 105 6.578 1.218 7.446 815 HG12 VAL 105 2HG1 VAL 105 5.558 -0.198 7.720 816 HG13 VAL 105 3HG1 VAL 105 5.979 0.859 9.066 817 HG21 VAL 105 3HG2 VAL 105 4.964 3.049 9.313 818 HG22 VAL 105 1HG2 VAL 105 3.815 3.653 8.117 819 HG23 VAL 105 2HG2 VAL 105 5.530 3.548 7.719 820 H VAL 106 H VAL 106 2.110 0.459 5.459 821 HA VAL 106 HA VAL 106 0.482 2.881 5.380 822 HB VAL 106 HB VAL 106 0.438 0.486 3.499 823 HG11 VAL 106 1HG1 VAL 106 -1.459 2.817 3.604 824 HG12 VAL 106 2HG1 VAL 106 -1.855 1.154 4.034 825 HG13 VAL 106 3HG1 VAL 106 -1.439 1.563 2.367 826 HG21 VAL 106 3HG2 VAL 106 0.859 2.129 1.764 827 HG22 VAL 106 1HG2 VAL 106 2.121 2.193 2.993 828 HG23 VAL 106 2HG2 VAL 106 0.852 3.424 2.953 829 H ARG 107 H ARG 107 -1.119 2.844 6.732 830 HA ARG 107 HA ARG 107 -2.121 0.261 7.763 831 HB2 ARG 107 2HB ARG 107 -1.009 1.703 9.451 832 HB3 ARG 107 1HB ARG 107 -2.170 2.974 9.067 833 HG2 ARG 107 2HG ARG 107 -3.969 1.272 9.721 834 HG3 ARG 107 1HG ARG 107 -2.653 0.354 10.448 835 HD2 ARG 107 2HD ARG 107 -3.422 3.195 11.121 836 HD3 ARG 107 1HD ARG 107 -3.800 1.772 12.083 837 HE ARG 107 HE ARG 107 -1.064 1.806 11.770 838 HH11 ARG 107 1HH1 ARG 107 -3.496 4.015 13.154 839 HH12 ARG 107 2HH1 ARG 107 -2.490 4.539 14.422 840 HH21 ARG 107 1HH2 ARG 107 0.315 2.554 13.488 841 HH22 ARG 107 2HH2 ARG 107 -0.242 3.709 14.614 842 H PHE 108 H PHE 108 -4.317 0.026 7.825 843 HA PHE 108 HA PHE 108 -5.995 2.213 6.832 844 HB2 PHE 108 2HB PHE 108 -6.280 -0.787 6.491 845 HB3 PHE 108 1HB PHE 108 -7.608 0.333 6.218 846 HD1 PHE 108 1HD PHE 108 -4.158 -0.478 5.086 847 HD2 PHE 108 2HD PHE 108 -7.886 1.342 4.153 848 HE1 PHE 108 1HE PHE 108 -3.435 -0.183 2.742 849 HE2 PHE 108 2HE PHE 108 -7.167 1.645 1.823 850 HZ PHE 108 HZ PHE 108 -4.937 0.879 1.118 851 H GLU 109 H GLU 109 -7.347 2.949 8.331 852 HA GLU 109 HA GLU 109 -8.182 1.142 10.452 853 HB2 GLU 109 2HB GLU 109 -7.802 2.880 12.179 854 HB3 GLU 109 1HB GLU 109 -6.320 2.254 11.472 855 HG2 GLU 109 2HG GLU 109 -6.046 4.227 10.170 856 HG3 GLU 109 1HG GLU 109 -7.631 4.825 10.662 857 H GLN 110 H GLN 110 -9.758 2.480 11.936 858 HA GLN 110 HA GLN 110 -11.727 3.606 10.077 859 HB2 GLN 110 2HB GLN 110 -13.421 2.758 11.656 860 HB3 GLN 110 1HB GLN 110 -12.462 1.488 10.912 861 HG2 GLN 110 2HG GLN 110 -11.133 1.276 12.906 862 HG3 GLN 110 1HG GLN 110 -12.014 2.596 13.668 863 HE21 GLN 110 1HE2 GLN 110 -11.726 -0.209 14.491 864 HE22 GLN 110 2HE2 GLN 110 -13.333 -0.826 14.558 865 H SER 111 H SER 111 -13.263 5.056 11.074 866 HA SER 111 HA SER 111 -12.563 6.338 13.531 867 HB2 SER 111 2HB SER 111 -12.734 8.553 12.338 868 HB3 SER 111 1HB SER 111 -11.254 7.648 11.990 869 HG SER 111 HG SER 111 -12.613 6.813 10.138 870 H SER 112 H SER 112 -14.425 7.386 14.364 871 HA SER 112 HA SER 112 -16.904 6.416 13.301 872 HB2 SER 112 2HB SER 112 -16.394 8.274 15.632 873 HB3 SER 112 1HB SER 112 -17.860 7.342 15.320 874 HG SER 112 HG SER 112 -16.959 5.795 16.371 875 H ASN 113 H ASN 113 -15.010 9.341 13.192 876 HA ASN 113 HA ASN 113 -17.127 11.076 12.493 877 HB2 ASN 113 2HB ASN 113 -14.151 11.311 12.473 878 HB3 ASN 113 1HB ASN 113 -15.177 12.564 11.796 879 HD21 ASN 113 1HD2 ASN 113 -13.388 12.639 14.082 880 HD22 ASN 113 2HD2 ASN 113 -14.364 13.118 15.428 881 H LEU 114 H LEU 114 -15.198 8.867 10.700 882 HA LEU 114 HA LEU 114 -16.061 10.186 8.285 883 HB2 LEU 114 2HB LEU 114 -14.141 7.917 8.721 884 HB3 LEU 114 1HB LEU 114 -14.675 8.418 7.123 885 HG LEU 114 HG LEU 114 -13.096 10.084 9.092 886 HD11 LEU 114 1HD1 LEU 114 -11.318 9.937 7.436 887 HD12 LEU 114 2HD1 LEU 114 -12.330 8.886 6.445 888 HD13 LEU 114 3HD1 LEU 114 -11.783 8.342 8.030 889 HD21 LEU 114 3HD2 LEU 114 -14.093 10.759 6.322 890 HD22 LEU 114 1HD2 LEU 114 -12.942 11.723 7.249 891 HD23 LEU 114 2HD2 LEU 114 -14.587 11.520 7.837 892 H HIS 115 H HIS 115 -17.577 9.461 7.035 893 HA HIS 115 HA HIS 115 -18.949 7.056 7.930 894 HB2 HIS 115 2HB HIS 115 -20.056 9.569 6.649 895 HB3 HIS 115 1HB HIS 115 -20.995 8.129 7.016 896 HD1 HIS 115 1HD HIS 115 -20.557 11.366 8.385 897 HD2 HIS 115 2HD HIS 115 -20.493 7.534 10.011 898 HE1 HIS 115 1HE HIS 115 -20.999 11.639 10.828 899 H THR 116 H THR 116 -19.990 5.844 6.197 900 HA THR 116 HA THR 116 -18.280 5.140 4.181 901 HB THR 116 HB THR 116 -21.281 4.808 4.280 902 HG1 THR 116 1HG THR 116 -19.066 3.363 5.286 903 HG21 THR 116 3HG2 THR 116 -19.167 3.256 2.788 904 HG22 THR 116 1HG2 THR 116 -20.356 4.336 2.062 905 HG23 THR 116 2HG2 THR 116 -20.884 2.847 2.857 906 H GLY 117 H GLY 117 -17.588 6.295 2.590 907 HA2 GLY 117 2HA GLY 117 -18.432 7.177 0.357 908 HA3 GLY 117 1HA GLY 117 -19.298 8.327 1.375 909 H GLN 118 H GLN 118 -17.319 8.451 3.389 910 HA GLN 118 HA GLN 118 -15.367 10.130 2.019 911 HB2 GLN 118 2HB GLN 118 -16.380 10.164 4.861 912 HB3 GLN 118 1HB GLN 118 -15.025 11.130 4.335 913 HG2 GLN 118 2HG GLN 118 -16.845 12.592 4.365 914 HG3 GLN 118 1HG GLN 118 -16.653 12.182 2.667 915 HE21 GLN 118 1HE2 GLN 118 -18.564 11.794 5.488 916 HE22 GLN 118 2HE2 GLN 118 -19.994 11.214 4.705 917 H PHE 119 H PHE 119 -13.210 9.886 2.484 918 HA PHE 119 HA PHE 119 -12.277 8.052 4.448 919 HB2 PHE 119 2HB PHE 119 -11.156 6.501 2.910 920 HB3 PHE 119 1HB PHE 119 -12.858 6.550 2.536 921 HD1 PHE 119 2HD PHE 119 -13.659 7.856 0.527 922 HD2 PHE 119 1HD PHE 119 -9.546 7.022 1.250 923 HE1 PHE 119 2HE PHE 119 -13.152 8.304 -1.840 924 HE2 PHE 119 1HE PHE 119 -9.034 7.462 -1.100 925 HZ PHE 119 HZ PHE 119 -10.837 8.102 -2.660 926 H ARG 120 H ARG 120 -9.867 8.238 4.528 927 HA ARG 120 HA ARG 120 -8.833 10.450 2.942 928 HB2 ARG 120 2HB ARG 120 -9.726 11.356 5.165 929 HB3 ARG 120 1HB ARG 120 -8.447 10.398 5.917 930 HG2 ARG 120 2HG ARG 120 -6.803 11.615 4.499 931 HG3 ARG 120 1HG ARG 120 -8.109 12.682 4.000 932 HD2 ARG 120 2HD ARG 120 -6.984 12.317 6.775 933 HD3 ARG 120 1HD ARG 120 -6.879 13.749 5.761 934 HE ARG 120 HE ARG 120 -9.000 12.923 7.455 935 HH11 ARG 120 1HH1 ARG 120 -8.438 14.781 4.468 936 HH12 ARG 120 2HH1 ARG 120 -9.631 15.934 4.785 937 HH21 ARG 120 1HH2 ARG 120 -10.682 14.535 7.859 938 HH22 ARG 120 2HH2 ARG 120 -10.942 15.782 6.738 939 H ALA 121 H ALA 121 -6.686 10.353 2.717 940 HA ALA 121 HA ALA 121 -5.210 8.207 4.055 941 HB1 ALA 121 1HB ALA 121 -3.810 8.067 2.016 942 HB2 ALA 121 2HB ALA 121 -4.841 9.257 1.232 943 HB3 ALA 121 3HB ALA 121 -5.489 7.669 1.644 944 H ARG 122 H ARG 122 -3.435 9.037 5.134 945 HA ARG 122 HA ARG 122 -2.624 11.703 4.414 946 HB2 ARG 122 2HB ARG 122 -4.254 11.799 6.268 947 HB3 ARG 122 1HB ARG 122 -3.328 10.613 7.158 948 HG2 ARG 122 2HG ARG 122 -2.228 13.304 6.411 949 HG3 ARG 122 1HG ARG 122 -3.148 13.018 7.887 950 HD2 ARG 122 2HD ARG 122 -0.638 11.571 7.086 951 HD3 ARG 122 1HD ARG 122 -0.702 12.909 8.211 952 HE ARG 122 HE ARG 122 -2.373 11.280 9.389 953 HH11 ARG 122 1HH1 ARG 122 0.647 10.297 7.771 954 HH12 ARG 122 2HH1 ARG 122 0.987 9.097 8.957 955 HH21 ARG 122 1HH2 ARG 122 -1.833 9.570 10.894 956 HH22 ARG 122 2HH2 ARG 122 -0.377 8.683 10.654 957 H GLY 123 H GLY 123 -0.425 11.856 4.432 958 HA2 GLY 123 2HA GLY 123 1.041 9.574 5.546 959 HA3 GLY 123 1HA GLY 123 1.482 10.338 4.019 960 H THR 124 H THR 124 3.114 10.096 6.453 961 HA THR 124 HA THR 124 3.845 12.859 6.367 962 HB THR 124 HB THR 124 2.403 12.746 8.404 963 HG1 THR 124 1HG THR 124 4.213 14.146 8.408 964 HG21 THR 124 3HG2 THR 124 4.436 10.740 9.397 965 HG22 THR 124 1HG2 THR 124 2.749 10.398 9.004 966 HG23 THR 124 2HG2 THR 124 3.140 11.454 10.361 967 H VAL 125 H VAL 125 6.033 13.144 7.204 968 HA VAL 125 HA VAL 125 7.684 10.822 6.667 969 HB VAL 125 HB VAL 125 8.519 13.641 7.451 970 HG11 VAL 125 1HG1 VAL 125 10.244 11.995 7.907 971 HG12 VAL 125 2HG1 VAL 125 10.716 12.998 6.533 972 HG13 VAL 125 3HG1 VAL 125 10.106 11.364 6.267 973 HG21 VAL 125 3HG2 VAL 125 8.400 12.408 4.698 974 HG22 VAL 125 1HG2 VAL 125 9.002 14.018 5.084 975 HG23 VAL 125 2HG2 VAL 125 7.290 13.636 5.313 976 H ASN 126 H ASN 126 7.906 9.463 8.313 977 HA ASN 126 HA ASN 126 8.279 10.623 10.970 978 HB2 ASN 126 2HB ASN 126 6.045 9.611 10.879 979 HB3 ASN 126 1HB ASN 126 6.740 8.092 10.331 980 HD21 ASN 126 1HD2 ASN 126 5.882 6.964 12.115 981 HD22 ASN 126 2HD2 ASN 126 6.544 7.159 13.690 982 HA PRO 127 HA PRO 127 11.836 7.873 10.447 983 HB2 PRO 127 2HB PRO 127 13.726 9.583 11.245 984 HB3 PRO 127 1HB PRO 127 13.036 9.706 9.622 985 HG2 PRO 127 2HG PRO 127 12.511 11.380 12.034 986 HG3 PRO 127 1HG PRO 127 12.581 11.856 10.331 987 HD2 PRO 127 2HD PRO 127 10.254 11.348 11.811 988 HD3 PRO 127 1HD PRO 127 10.353 11.460 10.045 989 H ASP 128 H ASP 128 10.211 9.389 12.889 990 HA ASP 128 HA ASP 128 11.903 8.626 15.148 991 HB2 ASP 128 2HB ASP 128 9.211 10.023 15.109 992 HB3 ASP 128 1HB ASP 128 10.266 9.848 16.503 993 H VAL 129 H VAL 129 10.650 6.681 13.434 994 HA VAL 129 HA VAL 129 8.703 5.490 15.203 995 HB VAL 129 HB VAL 129 7.956 5.733 12.859 996 HG11 VAL 129 1HG1 VAL 129 8.954 4.453 11.035 997 HG12 VAL 129 2HG1 VAL 129 10.271 3.971 12.105 998 HG13 VAL 129 3HG1 VAL 129 10.053 5.671 11.682 999 HG21 VAL 129 3HG2 VAL 129 7.067 3.869 14.125 1000 HG22 VAL 129 1HG2 VAL 129 8.432 2.862 13.642 1001 HG23 VAL 129 2HG2 VAL 129 7.271 3.406 12.435 1002 H GLU 130 H GLU 130 9.270 3.921 16.327 1003 HA GLU 130 HA GLU 130 11.945 3.008 16.503 1004 HB2 GLU 130 2HB GLU 130 11.103 1.403 18.189 1005 HB3 GLU 130 1HB GLU 130 10.644 3.069 18.506 1006 HG2 GLU 130 2HG GLU 130 8.428 2.694 17.901 1007 HG3 GLU 130 1HG GLU 130 8.818 1.186 17.079 1008 H THR 131 H THR 131 12.597 0.770 16.470 1009 HA THR 131 HA THR 131 11.166 -1.013 14.739 1010 HB THR 131 HB THR 131 12.419 0.353 13.139 1011 HG1 THR 131 1HG THR 131 14.173 -1.698 12.996 1012 HG21 THR 131 3HG2 THR 131 14.889 0.508 13.214 1013 HG22 THR 131 1HG2 THR 131 14.872 -0.306 14.779 1014 HG23 THR 131 2HG2 THR 131 14.130 1.283 14.604 1015 H HIS 132 H HIS 132 12.383 -3.162 14.793 1016 HA HIS 132 HA HIS 132 13.900 -3.280 17.254 1017 HB2 HIS 132 2HB HIS 132 13.189 -5.651 17.554 1018 HB3 HIS 132 1HB HIS 132 11.828 -4.551 17.559 1019 HD1 HIS 132 1HD HIS 132 13.173 -7.547 15.914 1020 HD2 HIS 132 2HD HIS 132 10.176 -4.765 15.196 1021 HE1 HIS 132 1HE HIS 132 11.660 -8.585 14.202 Start of MODEL 11 1 H1 MET 1 1HT MET 1 6.508 -30.655 28.300 2 H2 MET 1 2HT MET 1 5.428 -29.511 27.748 3 H3 MET 1 3HT MET 1 6.863 -29.006 28.507 4 HA MET 1 HA MET 1 6.928 -28.749 26.117 5 HB2 MET 1 2HB MET 1 8.700 -30.907 27.271 6 HB3 MET 1 1HB MET 1 8.931 -30.251 25.656 7 HG2 MET 1 2HG MET 1 9.323 -28.060 26.575 8 HG3 MET 1 1HG MET 1 9.008 -28.647 28.203 9 HE1 MET 1 2HE MET 1 12.846 -27.973 28.281 10 HE2 MET 1 3HE MET 1 11.289 -27.648 29.044 11 HE3 MET 1 1HE MET 1 11.623 -27.031 27.427 12 H GLY 2 H GLY 2 7.757 -30.559 24.242 13 HA2 GLY 2 2HA GLY 2 6.947 -32.169 22.792 14 HA3 GLY 2 1HA GLY 2 5.793 -32.668 24.034 15 H SER 3 H SER 3 6.439 -29.548 22.620 16 HA SER 3 HA SER 3 3.603 -29.039 22.431 17 HB2 SER 3 2HB SER 3 5.965 -27.204 22.075 18 HB3 SER 3 1HB SER 3 4.271 -26.730 22.234 19 HG SER 3 HG SER 3 5.250 -26.551 24.218 20 H GLN 4 H GLN 4 5.371 -30.615 20.343 21 HA GLN 4 HA GLN 4 4.862 -28.960 18.050 22 HB2 GLN 4 2HB GLN 4 6.881 -30.376 18.069 23 HB3 GLN 4 1HB GLN 4 5.869 -31.813 18.109 24 HG2 GLN 4 2HG GLN 4 4.974 -31.234 15.908 25 HG3 GLN 4 1HG GLN 4 5.983 -29.789 15.878 26 HE21 GLN 4 1HE2 GLN 4 5.924 -33.234 15.667 27 HE22 GLN 4 2HE2 GLN 4 7.536 -33.437 15.083 28 H LYS 5 H LYS 5 2.667 -28.802 18.640 29 HA LYS 5 HA LYS 5 1.070 -30.886 17.352 30 HB2 LYS 5 2HB LYS 5 0.392 -29.103 19.685 31 HB3 LYS 5 1HB LYS 5 -0.884 -29.678 18.630 32 HG2 LYS 5 2HG LYS 5 -0.783 -31.115 20.531 33 HG3 LYS 5 1HG LYS 5 -0.178 -31.993 19.132 34 HD2 LYS 5 2HD LYS 5 2.133 -31.514 19.899 35 HD3 LYS 5 1HD LYS 5 1.456 -30.763 21.346 36 HE2 LYS 5 2HE LYS 5 2.084 -33.051 21.825 37 HE3 LYS 5 1HE LYS 5 0.330 -32.883 21.901 38 HZ1 LYS 5 3HZ LYS 5 0.900 -34.889 20.697 39 HZ2 LYS 5 1HZ LYS 5 1.908 -34.035 19.664 40 HZ3 LYS 5 2HZ LYS 5 0.256 -33.795 19.587 41 H ARG 6 H ARG 6 0.992 -30.231 15.381 42 HA ARG 6 HA ARG 6 0.877 -27.417 14.799 43 HB2 ARG 6 2HB ARG 6 1.103 -29.806 12.968 44 HB3 ARG 6 1HB ARG 6 1.234 -28.124 12.459 45 HG2 ARG 6 2HG ARG 6 3.198 -27.821 13.837 46 HG3 ARG 6 1HG ARG 6 3.046 -29.458 14.460 47 HD2 ARG 6 2HD ARG 6 4.762 -29.383 12.791 48 HD3 ARG 6 1HD ARG 6 3.406 -30.313 12.171 49 HE ARG 6 HE ARG 6 2.802 -28.100 11.043 50 HH11 ARG 6 1HH1 ARG 6 6.078 -29.312 11.556 51 HH12 ARG 6 2HH1 ARG 6 6.752 -28.418 10.275 52 HH21 ARG 6 1HH2 ARG 6 3.720 -26.982 9.209 53 HH22 ARG 6 2HH2 ARG 6 5.401 -27.109 8.896 54 H LEU 7 H LEU 7 -1.067 -27.050 15.665 55 HA LEU 7 HA LEU 7 -3.289 -27.411 13.862 56 HB2 LEU 7 2HB LEU 7 -3.542 -29.319 15.336 57 HB3 LEU 7 1HB LEU 7 -3.335 -28.302 16.745 58 HG LEU 7 HG LEU 7 -5.465 -27.156 16.172 59 HD11 LEU 7 1HD1 LEU 7 -5.738 -29.334 14.117 60 HD12 LEU 7 2HD1 LEU 7 -5.563 -27.611 13.797 61 HD13 LEU 7 3HD1 LEU 7 -7.007 -28.215 14.608 62 HD21 LEU 7 3HD2 LEU 7 -6.898 -28.980 16.933 63 HD22 LEU 7 1HD2 LEU 7 -5.389 -28.906 17.839 64 HD23 LEU 7 2HD2 LEU 7 -5.606 -30.131 16.592 65 H VAL 8 H VAL 8 -3.133 -25.228 13.523 66 HA VAL 8 HA VAL 8 -4.385 -23.651 15.569 67 HB VAL 8 HB VAL 8 -1.939 -23.267 15.934 68 HG11 VAL 8 1HG1 VAL 8 -0.585 -22.076 14.291 69 HG12 VAL 8 2HG1 VAL 8 -1.905 -22.204 13.129 70 HG13 VAL 8 3HG1 VAL 8 -1.101 -23.663 13.711 71 HG21 VAL 8 3HG2 VAL 8 -3.472 -21.465 16.476 72 HG22 VAL 8 1HG2 VAL 8 -3.390 -20.869 14.818 73 HG23 VAL 8 2HG2 VAL 8 -1.962 -20.803 15.853 74 H GLN 9 H GLN 9 -5.604 -21.969 14.648 75 HA GLN 9 HA GLN 9 -6.286 -22.564 11.957 76 HB2 GLN 9 2HB GLN 9 -7.503 -20.642 13.940 77 HB3 GLN 9 1HB GLN 9 -8.081 -20.793 12.293 78 HG2 GLN 9 2HG GLN 9 -9.506 -22.068 13.760 79 HG3 GLN 9 1HG GLN 9 -8.611 -23.175 12.729 80 HE21 GLN 9 1HE2 GLN 9 -8.852 -24.901 14.107 81 HE22 GLN 9 2HE2 GLN 9 -8.064 -25.023 15.630 82 H ARG 10 H ARG 10 -4.171 -21.943 11.208 83 HA ARG 10 HA ARG 10 -4.046 -19.102 10.625 84 HB2 ARG 10 2HB ARG 10 -1.760 -19.535 9.690 85 HB3 ARG 10 1HB ARG 10 -1.911 -19.872 11.404 86 HG2 ARG 10 2HG ARG 10 -1.960 -22.210 11.013 87 HG3 ARG 10 1HG ARG 10 -2.103 -21.950 9.274 88 HD2 ARG 10 2HD ARG 10 0.281 -21.144 10.944 89 HD3 ARG 10 1HD ARG 10 0.181 -22.603 9.960 90 HE ARG 10 HE ARG 10 -0.383 -20.288 8.419 91 HH11 ARG 10 1HH1 ARG 10 2.344 -22.098 9.793 92 HH12 ARG 10 2HH1 ARG 10 3.448 -21.552 8.615 93 HH21 ARG 10 1HH2 ARG 10 1.182 -19.517 6.841 94 HH22 ARG 10 2HH2 ARG 10 2.790 -20.079 6.950 95 H VAL 11 H VAL 11 -5.701 -19.017 9.265 96 HA VAL 11 HA VAL 11 -5.143 -20.000 6.599 97 HB VAL 11 HB VAL 11 -6.810 -21.544 7.636 98 HG11 VAL 11 1HG1 VAL 11 -7.869 -20.093 9.225 99 HG12 VAL 11 2HG1 VAL 11 -9.087 -20.792 8.160 100 HG13 VAL 11 3HG1 VAL 11 -8.569 -19.121 7.930 101 HG21 VAL 11 3HG2 VAL 11 -6.919 -21.230 5.226 102 HG22 VAL 11 1HG2 VAL 11 -7.967 -19.826 5.436 103 HG23 VAL 11 2HG2 VAL 11 -8.546 -21.433 5.875 104 H GLU 12 H GLU 12 -6.008 -18.544 4.996 105 HA GLU 12 HA GLU 12 -6.792 -16.013 6.210 106 HB2 GLU 12 2HB GLU 12 -5.631 -14.834 4.441 107 HB3 GLU 12 1HB GLU 12 -4.536 -15.880 5.327 108 HG2 GLU 12 2HG GLU 12 -4.728 -17.539 3.507 109 HG3 GLU 12 1HG GLU 12 -5.715 -16.385 2.613 110 H ARG 13 H ARG 13 -8.241 -14.771 5.218 111 HA ARG 13 HA ARG 13 -9.653 -15.702 2.878 112 HB2 ARG 13 2HB ARG 13 -10.906 -16.689 4.732 113 HB3 ARG 13 1HB ARG 13 -10.862 -15.176 5.615 114 HG2 ARG 13 2HG ARG 13 -13.060 -15.465 4.718 115 HG3 ARG 13 1HG ARG 13 -12.277 -14.160 3.836 116 HD2 ARG 13 2HD ARG 13 -13.470 -15.547 2.280 117 HD3 ARG 13 1HD ARG 13 -11.743 -15.780 2.031 118 HE ARG 13 HE ARG 13 -12.349 -17.765 3.738 119 HH11 ARG 13 1HH1 ARG 13 -13.904 -16.762 0.700 120 HH12 ARG 13 2HH1 ARG 13 -14.412 -18.332 0.296 121 HH21 ARG 13 1HH2 ARG 13 -13.034 -19.912 3.149 122 HH22 ARG 13 2HH2 ARG 13 -13.897 -20.161 1.698 123 H LYS 14 H LYS 14 -9.826 -13.855 1.659 124 HA LYS 14 HA LYS 14 -9.479 -11.333 3.008 125 HB2 LYS 14 2HB LYS 14 -9.656 -10.286 0.766 126 HB3 LYS 14 1HB LYS 14 -8.439 -11.540 0.775 127 HG2 LYS 14 2HG LYS 14 -9.797 -13.003 -0.507 128 HG3 LYS 14 1HG LYS 14 -11.236 -12.019 -0.234 129 HD2 LYS 14 2HD LYS 14 -10.239 -10.214 -1.566 130 HD3 LYS 14 1HD LYS 14 -8.803 -11.197 -1.830 131 HE2 LYS 14 2HE LYS 14 -10.085 -12.833 -3.054 132 HE3 LYS 14 1HE LYS 14 -11.588 -12.003 -2.660 133 HZ1 LYS 14 3HZ LYS 14 -9.415 -10.788 -4.311 134 HZ2 LYS 14 1HZ LYS 14 -10.948 -10.163 -4.005 135 HZ3 LYS 14 2HZ LYS 14 -10.790 -11.540 -4.935 136 H LEU 15 H LEU 15 -11.138 -10.259 3.842 137 HA LEU 15 HA LEU 15 -13.728 -11.319 3.236 138 HB2 LEU 15 2HB LEU 15 -12.906 -9.199 5.213 139 HB3 LEU 15 1HB LEU 15 -14.585 -9.599 4.913 140 HG LEU 15 HG LEU 15 -14.019 -11.965 5.655 141 HD11 LEU 15 1HD1 LEU 15 -12.068 -12.276 7.076 142 HD12 LEU 15 2HD1 LEU 15 -11.501 -10.663 6.645 143 HD13 LEU 15 3HD1 LEU 15 -11.616 -11.915 5.411 144 HD21 LEU 15 3HD2 LEU 15 -14.105 -11.402 8.031 145 HD22 LEU 15 1HD2 LEU 15 -15.220 -10.427 7.075 146 HD23 LEU 15 2HD2 LEU 15 -13.704 -9.730 7.634 147 H GLU 16 H GLU 16 -13.353 -10.746 1.071 148 HA GLU 16 HA GLU 16 -13.880 -8.005 0.317 149 HB2 GLU 16 2HB GLU 16 -12.358 -9.444 -1.040 150 HB3 GLU 16 1HB GLU 16 -13.717 -10.498 -1.396 151 HG2 GLU 16 2HG GLU 16 -14.836 -8.543 -2.483 152 HG3 GLU 16 1HG GLU 16 -13.336 -7.644 -2.258 153 H GLN 17 H GLN 17 -15.808 -7.812 1.383 154 HA GLN 17 HA GLN 17 -17.979 -9.474 0.466 155 HB2 GLN 17 2HB GLN 17 -17.947 -7.350 2.600 156 HB3 GLN 17 1HB GLN 17 -19.298 -8.407 2.206 157 HG2 GLN 17 2HG GLN 17 -16.632 -9.326 3.237 158 HG3 GLN 17 1HG GLN 17 -18.097 -9.107 4.189 159 HE21 GLN 17 1HE2 GLN 17 -18.082 -11.248 4.804 160 HE22 GLN 17 2HE2 GLN 17 -18.508 -12.535 3.739 161 H THR 18 H THR 18 -18.814 -8.872 -1.311 162 HA THR 18 HA THR 18 -19.498 -6.113 -1.711 163 HB THR 18 HB THR 18 -17.206 -6.140 -2.513 164 HG1 THR 18 1HG THR 18 -17.717 -5.665 -4.830 165 HG21 THR 18 3HG2 THR 18 -17.016 -8.546 -3.039 166 HG22 THR 18 1HG2 THR 18 -16.502 -7.557 -4.408 167 HG23 THR 18 2HG2 THR 18 -18.087 -8.322 -4.422 168 H VAL 19 H VAL 19 -21.124 -5.841 -3.028 169 HA VAL 19 HA VAL 19 -22.345 -8.170 -4.298 170 HB VAL 19 HB VAL 19 -24.349 -6.741 -4.540 171 HG11 VAL 19 1HG1 VAL 19 -24.138 -8.055 -2.519 172 HG12 VAL 19 2HG1 VAL 19 -24.919 -6.514 -2.155 173 HG13 VAL 19 3HG1 VAL 19 -23.223 -6.763 -1.746 174 HG21 VAL 19 3HG2 VAL 19 -22.735 -4.624 -3.098 175 HG22 VAL 19 1HG2 VAL 19 -24.449 -4.512 -3.493 176 HG23 VAL 19 2HG2 VAL 19 -23.248 -4.558 -4.782 177 H GLY 20 H GLY 20 -20.018 -6.184 -5.057 178 HA2 GLY 20 2HA GLY 20 -19.227 -6.140 -7.330 179 HA3 GLY 20 1HA GLY 20 -20.887 -5.846 -7.837 180 H ASP 21 H ASP 21 -21.889 -3.868 -6.923 181 HA ASP 21 HA ASP 21 -20.116 -1.660 -7.466 182 HB2 ASP 21 2HB ASP 21 -22.148 -0.259 -7.391 183 HB3 ASP 21 1HB ASP 21 -22.332 -1.628 -8.475 184 H ALA 22 H ALA 22 -20.314 -3.314 -4.852 185 HA ALA 22 HA ALA 22 -21.088 -1.604 -2.746 186 HB1 ALA 22 1HB ALA 22 -19.038 -3.806 -2.640 187 HB2 ALA 22 2HB ALA 22 -20.778 -4.026 -2.478 188 HB3 ALA 22 3HB ALA 22 -19.889 -3.098 -1.270 189 H PHE 23 H PHE 23 -17.981 -2.135 -4.225 190 HA PHE 23 HA PHE 23 -16.536 -0.401 -2.518 191 HB2 PHE 23 2HB PHE 23 -16.079 -1.539 -5.201 192 HB3 PHE 23 1HB PHE 23 -14.833 -0.539 -4.415 193 HD1 PHE 23 1HD PHE 23 -14.153 -1.385 -2.032 194 HD2 PHE 23 2HD PHE 23 -16.085 -3.796 -4.950 195 HE1 PHE 23 1HE PHE 23 -13.344 -3.398 -0.890 196 HE2 PHE 23 2HE PHE 23 -15.281 -5.820 -3.810 197 HZ PHE 23 HZ PHE 23 -13.912 -5.623 -1.777 198 H ALA 24 H ALA 24 -18.331 0.061 -5.469 199 HA ALA 24 HA ALA 24 -17.365 2.663 -6.036 200 HB1 ALA 24 1HB ALA 24 -18.465 1.221 -7.716 201 HB2 ALA 24 2HB ALA 24 -19.227 2.800 -7.595 202 HB3 ALA 24 3HB ALA 24 -19.990 1.394 -6.847 203 H ARG 25 H ARG 25 -19.915 1.356 -4.046 204 HA ARG 25 HA ARG 25 -21.216 3.822 -3.476 205 HB2 ARG 25 2HB ARG 25 -21.156 1.314 -1.791 206 HB3 ARG 25 1HB ARG 25 -22.312 2.624 -1.671 207 HG2 ARG 25 2HG ARG 25 -21.999 0.739 -3.993 208 HG3 ARG 25 1HG ARG 25 -23.267 0.689 -2.773 209 HD2 ARG 25 2HD ARG 25 -24.103 2.837 -3.519 210 HD3 ARG 25 1HD ARG 25 -22.774 2.971 -4.674 211 HE ARG 25 HE ARG 25 -23.937 0.617 -5.319 212 HH11 ARG 25 1HH1 ARG 25 -25.305 3.847 -4.915 213 HH12 ARG 25 2HH1 ARG 25 -26.434 3.669 -6.172 214 HH21 ARG 25 1HH2 ARG 25 -25.457 0.350 -6.957 215 HH22 ARG 25 2HH2 ARG 25 -26.560 1.592 -7.368 216 H ILE 26 H ILE 26 -18.515 2.071 -2.078 217 HA ILE 26 HA ILE 26 -18.498 3.870 0.170 218 HB ILE 26 HB ILE 26 -16.624 2.512 1.095 219 HG12 ILE 26 2HG1 ILE 26 -17.190 0.694 -1.197 220 HG13 ILE 26 1HG1 ILE 26 -15.756 1.721 -1.128 221 HG21 ILE 26 1HG2 ILE 26 -18.936 2.001 1.693 222 HG22 ILE 26 2HG2 ILE 26 -17.982 0.522 1.591 223 HG23 ILE 26 3HG2 ILE 26 -19.077 0.954 0.280 224 HD11 ILE 26 3HD1 ILE 26 -16.469 -0.510 0.773 225 HD12 ILE 26 1HD1 ILE 26 -15.043 0.515 0.905 226 HD13 ILE 26 2HD1 ILE 26 -15.227 -0.574 -0.471 227 H PHE 27 H PHE 27 -16.232 3.168 -2.536 228 HA PHE 27 HA PHE 27 -14.433 5.208 -1.550 229 HB2 PHE 27 2HB PHE 27 -14.393 3.677 -4.156 230 HB3 PHE 27 1HB PHE 27 -13.151 4.796 -3.632 231 HD1 PHE 27 2HD PHE 27 -12.479 4.146 -0.984 232 HD2 PHE 27 1HD PHE 27 -13.718 1.523 -4.092 233 HE1 PHE 27 2HE PHE 27 -11.286 2.290 0.109 234 HE2 PHE 27 1HE PHE 27 -12.531 -0.333 -3.009 235 HZ PHE 27 HZ PHE 27 -11.312 0.047 -0.911 236 H GLY 28 H GLY 28 -16.985 4.970 -3.933 237 HA2 GLY 28 2HA GLY 28 -17.931 7.277 -4.322 238 HA3 GLY 28 1HA GLY 28 -16.296 7.680 -4.821 239 H GLY 29 H GLY 29 -15.502 5.629 -6.340 240 HA2 GLY 29 2HA GLY 29 -17.662 4.979 -8.201 241 HA3 GLY 29 1HA GLY 29 -16.371 5.991 -8.814 242 H SER 30 H SER 30 -14.285 4.588 -7.282 243 HA SER 30 HA SER 30 -13.869 2.557 -9.258 244 HB2 SER 30 2HB SER 30 -12.167 3.486 -6.958 245 HB3 SER 30 1HB SER 30 -11.650 2.327 -8.186 246 HG SER 30 HG SER 30 -12.704 4.812 -8.941 247 H ILE 31 H ILE 31 -13.620 0.378 -8.984 248 HA ILE 31 HA ILE 31 -14.847 -0.712 -6.587 249 HB ILE 31 HB ILE 31 -14.970 -2.867 -7.844 250 HG12 ILE 31 2HG1 ILE 31 -13.981 -1.219 -10.191 251 HG13 ILE 31 1HG1 ILE 31 -13.036 -2.445 -9.355 252 HG21 ILE 31 1HG2 ILE 31 -16.747 -2.163 -9.393 253 HG22 ILE 31 2HG2 ILE 31 -16.239 -0.486 -9.182 254 HG23 ILE 31 3HG2 ILE 31 -16.877 -1.389 -7.813 255 HD11 ILE 31 3HD1 ILE 31 -13.934 -3.286 -11.442 256 HD12 ILE 31 1HD1 ILE 31 -15.573 -2.907 -10.912 257 HD13 ILE 31 2HD1 ILE 31 -14.639 -4.148 -10.073 258 H VAL 32 H VAL 32 -11.867 -0.177 -7.891 259 HA VAL 32 HA VAL 32 -10.631 -2.019 -5.983 260 HB VAL 32 HB VAL 32 -8.561 -1.961 -7.367 261 HG11 VAL 32 1HG1 VAL 32 -10.966 -2.804 -8.963 262 HG12 VAL 32 2HG1 VAL 32 -10.103 -3.774 -7.772 263 HG13 VAL 32 3HG1 VAL 32 -9.304 -3.302 -9.273 264 HG21 VAL 32 3HG2 VAL 32 -8.842 0.236 -8.389 265 HG22 VAL 32 1HG2 VAL 32 -10.194 -0.374 -9.341 266 HG23 VAL 32 2HG2 VAL 32 -8.568 -0.997 -9.623 267 HA PRO 33 HA PRO 33 -9.085 1.523 -3.843 268 HB2 PRO 33 2HB PRO 33 -6.251 0.749 -3.975 269 HB3 PRO 33 1HB PRO 33 -7.324 0.836 -2.575 270 HG2 PRO 33 2HG PRO 33 -6.508 -1.524 -3.545 271 HG3 PRO 33 1HG PRO 33 -8.150 -1.307 -2.910 272 HD2 PRO 33 2HD PRO 33 -7.210 -1.304 -5.756 273 HD3 PRO 33 1HD PRO 33 -8.603 -2.144 -5.036 274 H GLN 34 H GLN 34 -8.991 1.846 -6.805 275 HA GLN 34 HA GLN 34 -6.679 3.161 -7.723 276 HB2 GLN 34 2HB GLN 34 -8.366 2.384 -9.285 277 HB3 GLN 34 1HB GLN 34 -9.547 3.497 -8.612 278 HG2 GLN 34 2HG GLN 34 -8.202 5.392 -9.392 279 HG3 GLN 34 1HG GLN 34 -7.040 4.269 -10.093 280 HE21 GLN 34 1HE2 GLN 34 -10.227 5.643 -10.370 281 HE22 GLN 34 2HE2 GLN 34 -10.514 5.085 -11.971 282 H GLU 35 H GLU 35 -9.676 4.520 -6.398 283 HA GLU 35 HA GLU 35 -8.817 7.197 -6.574 284 HB2 GLU 35 2HB GLU 35 -10.969 5.986 -4.821 285 HB3 GLU 35 1HB GLU 35 -10.760 7.710 -5.120 286 HG2 GLU 35 2HG GLU 35 -11.133 7.340 -7.510 287 HG3 GLU 35 1HG GLU 35 -11.354 5.626 -7.209 288 H VAL 36 H VAL 36 -8.243 4.730 -4.280 289 HA VAL 36 HA VAL 36 -7.355 6.453 -2.166 290 HB VAL 36 HB VAL 36 -6.708 3.514 -2.602 291 HG11 VAL 36 1HG1 VAL 36 -5.206 4.583 -1.011 292 HG12 VAL 36 2HG1 VAL 36 -6.281 3.457 -0.183 293 HG13 VAL 36 3HG1 VAL 36 -6.585 5.193 -0.093 294 HG21 VAL 36 3HG2 VAL 36 -9.122 3.842 -2.503 295 HG22 VAL 36 1HG2 VAL 36 -8.949 4.750 -1.003 296 HG23 VAL 36 2HG2 VAL 36 -8.550 3.032 -1.044 297 H GLU 37 H GLU 37 -5.828 4.517 -4.726 298 HA GLU 37 HA GLU 37 -3.133 5.154 -4.232 299 HB2 GLU 37 2HB GLU 37 -4.445 4.693 -6.905 300 HB3 GLU 37 1HB GLU 37 -2.731 4.589 -6.550 301 HG2 GLU 37 2HG GLU 37 -3.095 2.686 -5.153 302 HG3 GLU 37 1HG GLU 37 -4.841 2.802 -5.406 303 H ALA 38 H ALA 38 -5.653 6.766 -6.015 304 HA ALA 38 HA ALA 38 -4.166 8.806 -7.213 305 HB1 ALA 38 1HB ALA 38 -6.297 10.012 -7.390 306 HB2 ALA 38 2HB ALA 38 -7.027 8.888 -6.243 307 HB3 ALA 38 3HB ALA 38 -6.492 8.313 -7.821 308 H LEU 39 H LEU 39 -6.092 8.912 -4.212 309 HA LEU 39 HA LEU 39 -5.281 11.428 -3.343 310 HB2 LEU 39 2HB LEU 39 -7.178 9.944 -2.467 311 HB3 LEU 39 1HB LEU 39 -5.968 9.072 -1.564 312 HG LEU 39 HG LEU 39 -7.292 10.644 -0.181 313 HD11 LEU 39 1HD1 LEU 39 -5.479 11.737 1.016 314 HD12 LEU 39 2HD1 LEU 39 -4.387 11.384 -0.328 315 HD13 LEU 39 3HD1 LEU 39 -5.104 10.065 0.597 316 HD21 LEU 39 3HD2 LEU 39 -5.992 12.804 -1.829 317 HD22 LEU 39 1HD2 LEU 39 -6.952 13.053 -0.371 318 HD23 LEU 39 2HD2 LEU 39 -7.705 12.378 -1.815 319 H LEU 40 H LEU 40 -3.889 8.238 -2.693 320 HA LEU 40 HA LEU 40 -1.841 8.985 -0.962 321 HB2 LEU 40 2HB LEU 40 -1.957 6.730 -2.940 322 HB3 LEU 40 1HB LEU 40 -0.656 6.936 -1.791 323 HG LEU 40 HG LEU 40 -3.549 6.508 -1.044 324 HD11 LEU 40 1HD1 LEU 40 -2.647 4.552 -2.121 325 HD12 LEU 40 2HD1 LEU 40 -2.774 4.273 -0.381 326 HD13 LEU 40 3HD1 LEU 40 -1.209 4.621 -1.112 327 HD21 LEU 40 3HD2 LEU 40 -1.025 6.501 0.608 328 HD22 LEU 40 1HD2 LEU 40 -2.639 6.087 1.183 329 HD23 LEU 40 2HD2 LEU 40 -2.293 7.728 0.651 330 H ARG 41 H ARG 41 -1.662 8.622 -4.513 331 HA ARG 41 HA ARG 41 1.089 9.318 -4.612 332 HB2 ARG 41 2HB ARG 41 0.906 9.375 -7.008 333 HB3 ARG 41 1HB ARG 41 -0.131 8.078 -6.444 334 HG2 ARG 41 2HG ARG 41 -2.069 9.599 -6.672 335 HG3 ARG 41 1HG ARG 41 -0.993 10.805 -7.399 336 HD2 ARG 41 2HD ARG 41 -2.100 9.635 -9.155 337 HD3 ARG 41 1HD ARG 41 -0.432 9.063 -9.113 338 HE ARG 41 HE ARG 41 -1.933 7.430 -7.466 339 HH11 ARG 41 1HH1 ARG 41 -1.816 8.169 -10.941 340 HH12 ARG 41 2HH1 ARG 41 -2.301 6.612 -11.414 341 HH21 ARG 41 1HH2 ARG 41 -2.636 5.273 -8.190 342 HH22 ARG 41 2HH2 ARG 41 -2.789 4.973 -9.834 343 H ARG 42 H ARG 42 -1.821 11.202 -4.620 344 HA ARG 42 HA ARG 42 -0.528 13.616 -5.444 345 HB2 ARG 42 2HB ARG 42 -3.216 13.234 -4.120 346 HB3 ARG 42 1HB ARG 42 -2.628 14.731 -4.827 347 HG2 ARG 42 2HG ARG 42 -3.218 12.164 -6.290 348 HG3 ARG 42 1HG ARG 42 -4.172 13.646 -6.323 349 HD2 ARG 42 2HD ARG 42 -2.353 14.826 -7.394 350 HD3 ARG 42 1HD ARG 42 -1.323 13.400 -7.271 351 HE ARG 42 HE ARG 42 -3.744 12.893 -8.672 352 HH11 ARG 42 1HH1 ARG 42 -0.411 14.062 -8.988 353 HH12 ARG 42 2HH1 ARG 42 -0.313 13.855 -10.661 354 HH21 ARG 42 1HH2 ARG 42 -3.642 12.605 -11.006 355 HH22 ARG 42 2HH2 ARG 42 -2.222 12.975 -11.857 356 H GLU 43 H GLU 43 -1.390 12.159 -2.337 357 HA GLU 43 HA GLU 43 -0.466 14.500 -1.015 358 HB2 GLU 43 2HB GLU 43 -2.248 12.994 -0.059 359 HB3 GLU 43 1HB GLU 43 -0.975 11.837 0.312 360 HG2 GLU 43 2HG GLU 43 0.059 13.269 1.853 361 HG3 GLU 43 1HG GLU 43 -0.820 14.672 1.270 362 H ALA 44 H ALA 44 0.922 11.475 -1.969 363 HA ALA 44 HA ALA 44 3.373 11.666 -0.671 364 HB1 ALA 44 1HB ALA 44 2.743 9.730 -2.059 365 HB2 ALA 44 2HB ALA 44 4.300 10.388 -2.564 366 HB3 ALA 44 3HB ALA 44 2.850 10.735 -3.504 367 H ALA 45 H ALA 45 2.227 13.189 -3.643 368 HA ALA 45 HA ALA 45 4.615 14.623 -4.207 369 HB1 ALA 45 1HB ALA 45 2.966 14.125 -5.943 370 HB2 ALA 45 2HB ALA 45 3.250 15.863 -5.829 371 HB3 ALA 45 3HB ALA 45 1.793 15.157 -5.132 372 H ASP 46 H ASP 46 1.752 15.303 -2.361 373 HA ASP 46 HA ASP 46 2.198 18.075 -1.920 374 HB2 ASP 46 2HB ASP 46 -0.014 17.183 -1.549 375 HB3 ASP 46 1HB ASP 46 0.609 16.046 -0.357 376 H GLY 47 H GLY 47 3.064 15.184 -0.099 377 HA2 GLY 47 2HA GLY 47 4.288 16.707 2.026 378 HA3 GLY 47 1HA GLY 47 4.254 14.959 1.869 379 H ILE 48 H ILE 48 5.320 16.384 -0.967 380 HA ILE 48 HA ILE 48 7.902 15.356 -0.782 381 HB ILE 48 HB ILE 48 6.552 17.229 -2.694 382 HG12 ILE 48 2HG1 ILE 48 6.050 14.860 -2.827 383 HG13 ILE 48 1HG1 ILE 48 6.867 15.419 -4.289 384 HG21 ILE 48 1HG2 ILE 48 8.778 18.082 -2.625 385 HG22 ILE 48 2HG2 ILE 48 8.512 17.213 -4.144 386 HG23 ILE 48 3HG2 ILE 48 9.439 16.460 -2.834 387 HD11 ILE 48 3HD1 ILE 48 8.062 13.817 -2.031 388 HD12 ILE 48 1HD1 ILE 48 8.960 14.456 -3.412 389 HD13 ILE 48 2HD1 ILE 48 7.689 13.265 -3.659 390 H GLN 49 H GLN 49 9.693 16.096 -0.061 391 HA GLN 49 HA GLN 49 9.760 18.884 0.761 392 HB2 GLN 49 2HB GLN 49 11.213 16.525 1.917 393 HB3 GLN 49 1HB GLN 49 11.626 18.190 2.296 394 HG2 GLN 49 2HG GLN 49 9.410 18.557 3.075 395 HG3 GLN 49 1HG GLN 49 8.959 16.884 2.737 396 HE21 GLN 49 1HE2 GLN 49 8.533 16.339 4.835 397 HE22 GLN 49 2HE2 GLN 49 9.722 16.276 6.085 398 H SER 50 H SER 50 11.226 20.127 0.088 399 HA SER 50 HA SER 50 12.783 19.304 -2.182 400 HB2 SER 50 2HB SER 50 12.691 21.981 -0.757 401 HB3 SER 50 1HB SER 50 13.341 21.675 -2.369 402 HG SER 50 HG SER 50 11.407 22.189 -2.951 403 H LEU 51 H LEU 51 14.245 17.947 -1.456 404 HA LEU 51 HA LEU 51 16.076 18.679 0.716 405 HB2 LEU 51 2HB LEU 51 14.666 16.559 0.770 406 HB3 LEU 51 1HB LEU 51 15.560 16.007 -0.620 407 HG LEU 51 HG LEU 51 17.610 15.869 0.745 408 HD11 LEU 51 1HD1 LEU 51 17.167 17.701 2.288 409 HD12 LEU 51 2HD1 LEU 51 17.471 16.200 3.166 410 HD13 LEU 51 3HD1 LEU 51 15.822 16.797 2.983 411 HD21 LEU 51 3HD2 LEU 51 16.102 13.951 0.612 412 HD22 LEU 51 1HD2 LEU 51 15.237 14.542 2.030 413 HD23 LEU 51 2HD2 LEU 51 16.920 14.037 2.172 414 H GLN 52 H GLN 52 18.258 17.131 -0.038 415 HA GLN 52 HA GLN 52 19.769 18.480 -1.859 416 HB2 GLN 52 2HB GLN 52 19.780 15.503 -1.357 417 HB3 GLN 52 1HB GLN 52 21.050 16.376 -2.191 418 HG2 GLN 52 2HG GLN 52 21.553 17.613 -0.162 419 HG3 GLN 52 1HG GLN 52 20.231 16.797 0.673 420 HE21 GLN 52 1HE2 GLN 52 23.423 16.430 -0.660 421 HE22 GLN 52 2HE2 GLN 52 23.781 14.922 0.089 422 H GLY 53 H GLY 53 20.247 18.314 -4.012 423 HA2 GLY 53 2HA GLY 53 18.002 17.848 -5.715 424 HA3 GLY 53 1HA GLY 53 19.594 18.391 -6.216 425 H ASN 54 H ASN 54 19.595 15.629 -4.399 426 HA ASN 54 HA ASN 54 20.513 13.853 -6.429 427 HB2 ASN 54 2HB ASN 54 19.394 13.278 -3.664 428 HB3 ASN 54 1HB ASN 54 20.274 12.142 -4.670 429 HD21 ASN 54 1HD2 ASN 54 21.716 11.852 -2.972 430 HD22 ASN 54 2HD2 ASN 54 22.933 13.005 -2.600 431 H ARG 55 H ARG 55 17.596 14.411 -4.553 432 HA ARG 55 HA ARG 55 15.716 13.929 -6.443 433 HB2 ARG 55 2HB ARG 55 14.782 11.705 -5.748 434 HB3 ARG 55 1HB ARG 55 16.341 11.591 -6.550 435 HG2 ARG 55 2HG ARG 55 17.405 11.430 -4.373 436 HG3 ARG 55 1HG ARG 55 15.825 11.420 -3.601 437 HD2 ARG 55 2HD ARG 55 16.549 9.135 -3.805 438 HD3 ARG 55 1HD ARG 55 15.223 9.392 -4.935 439 HE ARG 55 HE ARG 55 18.072 9.337 -5.671 440 HH11 ARG 55 1HH1 ARG 55 14.714 8.743 -6.587 441 HH12 ARG 55 2HH1 ARG 55 15.081 7.621 -7.824 442 HH21 ARG 55 1HH2 ARG 55 18.574 7.768 -7.416 443 HH22 ARG 55 2HH2 ARG 55 17.298 7.077 -8.299 444 H LEU 56 H LEU 56 13.488 13.592 -5.338 445 HA LEU 56 HA LEU 56 13.480 15.466 -3.082 446 HB2 LEU 56 2HB LEU 56 11.234 14.397 -4.776 447 HB3 LEU 56 1HB LEU 56 11.117 15.664 -3.573 448 HG LEU 56 HG LEU 56 12.727 15.855 -6.118 449 HD11 LEU 56 1HD1 LEU 56 10.090 17.110 -5.385 450 HD12 LEU 56 2HD1 LEU 56 10.318 15.784 -6.525 451 HD13 LEU 56 3HD1 LEU 56 10.992 17.378 -6.876 452 HD21 LEU 56 3HD2 LEU 56 12.885 18.239 -5.543 453 HD22 LEU 56 1HD2 LEU 56 13.649 17.225 -4.319 454 HD23 LEU 56 2HD2 LEU 56 12.058 17.923 -4.019 455 H LEU 57 H LEU 57 12.261 15.155 -1.236 456 HA LEU 57 HA LEU 57 12.295 12.387 -0.310 457 HB2 LEU 57 2HB LEU 57 13.439 14.227 0.934 458 HB3 LEU 57 1HB LEU 57 11.877 14.977 1.154 459 HG LEU 57 HG LEU 57 11.160 12.946 2.432 460 HD11 LEU 57 1HD1 LEU 57 14.094 12.304 2.307 461 HD12 LEU 57 2HD1 LEU 57 12.795 11.400 1.538 462 HD13 LEU 57 3HD1 LEU 57 12.894 11.478 3.303 463 HD21 LEU 57 3HD2 LEU 57 12.351 13.582 4.473 464 HD22 LEU 57 1HD2 LEU 57 11.834 15.000 3.565 465 HD23 LEU 57 2HD2 LEU 57 13.520 14.486 3.513 466 H ALA 58 H ALA 58 10.434 11.326 0.107 467 HA ALA 58 HA ALA 58 7.895 12.792 -0.059 468 HB1 ALA 58 1HB ALA 58 8.569 9.999 -1.023 469 HB2 ALA 58 2HB ALA 58 8.257 11.401 -2.050 470 HB3 ALA 58 3HB ALA 58 6.962 10.723 -1.063 471 HA PRO 59 HA PRO 59 6.866 10.888 3.900 472 HB2 PRO 59 2HB PRO 59 4.244 10.099 2.791 473 HB3 PRO 59 1HB PRO 59 4.603 11.150 4.162 474 HG2 PRO 59 2HG PRO 59 3.692 12.175 1.890 475 HG3 PRO 59 1HG PRO 59 4.959 13.008 2.812 476 HD2 PRO 59 2HD PRO 59 5.222 11.286 0.372 477 HD3 PRO 59 1HD PRO 59 5.986 12.850 0.732 478 H ASN 60 H ASN 60 6.433 8.875 4.936 479 HA ASN 60 HA ASN 60 6.552 6.519 3.160 480 HB2 ASN 60 2HB ASN 60 8.256 5.482 4.480 481 HB3 ASN 60 1HB ASN 60 8.799 7.113 4.105 482 HD21 ASN 60 1HD2 ASN 60 8.086 4.863 6.570 483 HD22 ASN 60 2HD2 ASN 60 8.383 5.940 7.899 484 H GLU 61 H GLU 61 5.246 8.002 5.959 485 HA GLU 61 HA GLU 61 4.077 5.491 6.857 486 HB2 GLU 61 2HB GLU 61 5.195 6.777 8.591 487 HB3 GLU 61 1HB GLU 61 4.308 8.223 8.139 488 HG2 GLU 61 2HG GLU 61 2.230 7.171 8.864 489 HG3 GLU 61 1HG GLU 61 3.121 5.723 9.321 490 H TYR 62 H TYR 62 2.183 5.090 5.877 491 HA TYR 62 HA TYR 62 0.454 7.391 5.445 492 HB2 TYR 62 2HB TYR 62 0.773 4.929 3.746 493 HB3 TYR 62 1HB TYR 62 -0.572 6.055 3.563 494 HD1 TYR 62 1HD TYR 62 3.112 5.729 3.337 495 HD2 TYR 62 2HD TYR 62 -0.287 8.112 2.366 496 HE1 TYR 62 1HE TYR 62 4.506 7.135 1.888 497 HE2 TYR 62 2HE TYR 62 1.106 9.521 0.920 498 HH TYR 62 HH TYR 62 4.358 8.649 0.126 499 H ILE 63 H ILE 63 -1.068 7.449 6.695 500 HA ILE 63 HA ILE 63 -2.186 5.018 7.911 501 HB ILE 63 HB ILE 63 -2.469 7.916 8.773 502 HG12 ILE 63 2HG1 ILE 63 -0.779 5.725 10.009 503 HG13 ILE 63 1HG1 ILE 63 -0.150 7.014 8.994 504 HG21 ILE 63 1HG2 ILE 63 -4.363 6.539 9.449 505 HG22 ILE 63 2HG2 ILE 63 -3.388 6.986 10.850 506 HG23 ILE 63 3HG2 ILE 63 -3.266 5.363 10.172 507 HD11 ILE 63 3HD1 ILE 63 -0.861 8.662 10.646 508 HD12 ILE 63 1HD1 ILE 63 0.220 7.463 11.358 509 HD13 ILE 63 2HD1 ILE 63 -1.519 7.375 11.654 510 H ILE 64 H ILE 64 -3.829 4.339 6.615 511 HA ILE 64 HA ILE 64 -5.563 6.351 5.448 512 HB ILE 64 HB ILE 64 -5.370 3.368 4.846 513 HG12 ILE 64 2HG1 ILE 64 -4.720 4.256 2.512 514 HG13 ILE 64 1HG1 ILE 64 -4.538 5.814 3.312 515 HG21 ILE 64 1HG2 ILE 64 -6.965 3.767 3.031 516 HG22 ILE 64 2HG2 ILE 64 -7.137 5.441 3.559 517 HG23 ILE 64 3HG2 ILE 64 -7.667 4.128 4.609 518 HD11 ILE 64 3HD1 ILE 64 -2.763 5.014 4.642 519 HD12 ILE 64 1HD1 ILE 64 -2.422 4.608 2.960 520 HD13 ILE 64 2HD1 ILE 64 -3.014 3.367 4.085 521 H THR 65 H THR 65 -7.538 6.663 6.142 522 HA THR 65 HA THR 65 -8.491 4.857 8.223 523 HB THR 65 HB THR 65 -8.740 7.853 8.082 524 HG1 THR 65 1HG THR 65 -6.956 6.078 9.129 525 HG21 THR 65 3HG2 THR 65 -9.598 5.877 10.205 526 HG22 THR 65 1HG2 THR 65 -10.683 6.770 9.144 527 HG23 THR 65 2HG2 THR 65 -9.704 7.629 10.334 528 H LEU 66 H LEU 66 -10.383 4.028 7.924 529 HA LEU 66 HA LEU 66 -12.321 5.288 6.129 530 HB2 LEU 66 2HB LEU 66 -11.606 2.388 6.483 531 HB3 LEU 66 1HB LEU 66 -13.231 2.820 6.023 532 HG LEU 66 HG LEU 66 -12.004 2.169 4.072 533 HD11 LEU 66 1HD1 LEU 66 -12.273 4.074 2.651 534 HD12 LEU 66 2HD1 LEU 66 -12.435 5.112 4.065 535 HD13 LEU 66 3HD1 LEU 66 -13.633 3.856 3.752 536 HD21 LEU 66 3HD2 LEU 66 -9.729 2.609 4.824 537 HD22 LEU 66 1HD2 LEU 66 -10.035 4.345 4.739 538 HD23 LEU 66 2HD2 LEU 66 -10.043 3.373 3.265 539 H GLY 67 H GLY 67 -14.574 4.253 6.678 540 HA2 GLY 67 2HA GLY 67 -15.010 4.860 9.481 541 HA3 GLY 67 1HA GLY 67 -16.216 4.810 8.195 542 H VAL 68 H VAL 68 -17.220 3.516 10.008 543 HA VAL 68 HA VAL 68 -16.084 0.946 10.443 544 HB VAL 68 HB VAL 68 -17.139 1.959 12.214 545 HG11 VAL 68 1HG1 VAL 68 -19.618 2.316 12.382 546 HG12 VAL 68 2HG1 VAL 68 -19.747 1.880 10.676 547 HG13 VAL 68 3HG1 VAL 68 -18.847 3.319 11.153 548 HG21 VAL 68 3HG2 VAL 68 -17.199 -0.436 12.292 549 HG22 VAL 68 1HG2 VAL 68 -18.707 -0.469 11.375 550 HG23 VAL 68 2HG2 VAL 68 -18.690 0.170 13.018 551 H HIS 69 H HIS 69 -18.983 1.938 8.685 552 HA HIS 69 HA HIS 69 -19.772 -0.716 8.069 553 HB2 HIS 69 2HB HIS 69 -21.365 1.160 8.083 554 HB3 HIS 69 1HB HIS 69 -20.513 1.901 6.740 555 HD1 HIS 69 1HD HIS 69 -22.604 -1.214 7.479 556 HD2 HIS 69 2HD HIS 69 -21.377 1.157 4.292 557 HE1 HIS 69 1HE HIS 69 -23.859 -2.040 5.473 558 H ASP 70 H ASP 70 -17.963 1.747 6.378 559 HA ASP 70 HA ASP 70 -17.661 0.258 4.022 560 HB2 ASP 70 2HB ASP 70 -15.946 2.124 3.533 561 HB3 ASP 70 1HB ASP 70 -17.645 2.550 3.675 562 H PHE 71 H PHE 71 -15.640 0.551 6.973 563 HA PHE 71 HA PHE 71 -13.405 -0.691 5.812 564 HB2 PHE 71 2HB PHE 71 -13.481 0.500 8.008 565 HB3 PHE 71 1HB PHE 71 -14.361 -0.884 8.652 566 HD1 PHE 71 2HD PHE 71 -11.190 0.250 7.283 567 HD2 PHE 71 1HD PHE 71 -13.226 -2.832 9.325 568 HE1 PHE 71 2HE PHE 71 -9.008 -0.802 7.826 569 HE2 PHE 71 1HE PHE 71 -11.072 -3.913 9.888 570 HZ PHE 71 HZ PHE 71 -8.957 -2.889 9.130 571 H GLU 72 H GLU 72 -16.405 -1.901 7.151 572 HA GLU 72 HA GLU 72 -15.736 -4.617 7.268 573 HB2 GLU 72 2HB GLU 72 -18.367 -3.226 6.911 574 HB3 GLU 72 1HB GLU 72 -18.210 -4.969 7.068 575 HG2 GLU 72 2HG GLU 72 -17.241 -2.973 9.105 576 HG3 GLU 72 1HG GLU 72 -18.793 -3.805 9.184 577 H LYS 73 H LYS 73 -16.484 -2.623 4.552 578 HA LYS 73 HA LYS 73 -16.892 -4.896 2.805 579 HB2 LYS 73 2HB LYS 73 -16.807 -1.937 2.300 580 HB3 LYS 73 1HB LYS 73 -16.619 -3.043 0.953 581 HG2 LYS 73 2HG LYS 73 -18.898 -2.323 1.047 582 HG3 LYS 73 1HG LYS 73 -18.844 -4.012 1.527 583 HD2 LYS 73 2HD LYS 73 -18.971 -3.322 3.885 584 HD3 LYS 73 1HD LYS 73 -19.050 -1.638 3.371 585 HE2 LYS 73 2HE LYS 73 -21.281 -2.475 3.863 586 HE3 LYS 73 1HE LYS 73 -21.119 -2.106 2.150 587 HZ1 LYS 73 3HZ LYS 73 -20.937 -4.824 3.338 588 HZ2 LYS 73 1HZ LYS 73 -20.875 -4.487 1.691 589 HZ3 LYS 73 2HZ LYS 73 -22.274 -4.222 2.581 590 H LEU 74 H LEU 74 -14.316 -2.829 3.799 591 HA LEU 74 HA LEU 74 -12.438 -3.699 1.821 592 HB2 LEU 74 2HB LEU 74 -11.895 -2.682 4.613 593 HB3 LEU 74 1HB LEU 74 -10.692 -2.902 3.365 594 HG LEU 74 HG LEU 74 -12.895 -0.853 3.447 595 HD11 LEU 74 1HD1 LEU 74 -10.962 0.689 3.366 596 HD12 LEU 74 2HD1 LEU 74 -9.899 -0.703 3.549 597 HD13 LEU 74 3HD1 LEU 74 -11.040 -0.292 4.828 598 HD21 LEU 74 3HD2 LEU 74 -11.995 -0.031 1.315 599 HD22 LEU 74 1HD2 LEU 74 -12.652 -1.659 1.149 600 HD23 LEU 74 2HD2 LEU 74 -10.907 -1.417 1.243 601 H GLY 75 H GLY 75 -13.356 -4.728 4.997 602 HA2 GLY 75 2HA GLY 75 -13.480 -7.163 5.234 603 HA3 GLY 75 1HA GLY 75 -11.861 -7.206 4.540 604 H ALA 76 H ALA 76 -12.833 -8.134 7.109 605 HA ALA 76 HA ALA 76 -11.726 -6.383 9.090 606 HB1 ALA 76 1HB ALA 76 -13.587 -7.928 9.583 607 HB2 ALA 76 2HB ALA 76 -12.213 -8.150 10.665 608 HB3 ALA 76 3HB ALA 76 -12.488 -9.292 9.350 609 H ASP 77 H ASP 77 -10.290 -8.123 6.791 610 HA ASP 77 HA ASP 77 -7.953 -8.815 8.387 611 HB2 ASP 77 2HB ASP 77 -7.219 -10.194 6.488 612 HB3 ASP 77 1HB ASP 77 -8.854 -10.644 6.947 613 HA PRO 78 HA PRO 78 -6.579 -4.930 6.396 614 HB2 PRO 78 2HB PRO 78 -4.831 -4.653 8.718 615 HB3 PRO 78 1HB PRO 78 -6.132 -3.583 8.193 616 HG2 PRO 78 2HG PRO 78 -6.290 -5.091 10.449 617 HG3 PRO 78 1HG PRO 78 -7.709 -4.653 9.485 618 HD2 PRO 78 2HD PRO 78 -6.178 -7.225 9.539 619 HD3 PRO 78 1HD PRO 78 -7.934 -6.951 9.465 620 H GLU 79 H GLU 79 -4.972 -7.511 7.930 621 HA GLU 79 HA GLU 79 -2.294 -7.249 7.675 622 HB2 GLU 79 2HB GLU 79 -3.771 -9.135 8.612 623 HB3 GLU 79 1HB GLU 79 -3.642 -9.821 7.001 624 HG2 GLU 79 2HG GLU 79 -1.988 -10.818 8.390 625 HG3 GLU 79 1HG GLU 79 -1.186 -9.758 7.223 626 H LEU 80 H LEU 80 -4.396 -8.778 5.266 627 HA LEU 80 HA LEU 80 -2.333 -9.382 3.459 628 HB2 LEU 80 2HB LEU 80 -4.581 -10.507 3.644 629 HB3 LEU 80 1HB LEU 80 -5.295 -9.114 2.888 630 HG LEU 80 HG LEU 80 -5.057 -11.051 1.371 631 HD11 LEU 80 1HD1 LEU 80 -3.430 -8.673 0.545 632 HD12 LEU 80 2HD1 LEU 80 -5.168 -8.898 0.336 633 HD13 LEU 80 3HD1 LEU 80 -4.029 -9.924 -0.540 634 HD21 LEU 80 3HD2 LEU 80 -3.027 -12.022 2.259 635 HD22 LEU 80 1HD2 LEU 80 -2.091 -10.632 1.706 636 HD23 LEU 80 2HD2 LEU 80 -2.855 -11.700 0.535 637 H LYS 81 H LYS 81 -4.682 -6.749 3.564 638 HA LYS 81 HA LYS 81 -3.701 -5.731 1.094 639 HB2 LYS 81 2HB LYS 81 -5.832 -4.724 2.943 640 HB3 LYS 81 1HB LYS 81 -5.215 -3.693 1.667 641 HG2 LYS 81 2HG LYS 81 -7.123 -4.667 0.738 642 HG3 LYS 81 1HG LYS 81 -5.798 -5.598 0.066 643 HD2 LYS 81 2HD LYS 81 -7.483 -7.170 0.639 644 HD3 LYS 81 1HD LYS 81 -6.264 -7.305 1.907 645 HE2 LYS 81 2HE LYS 81 -7.610 -6.028 3.426 646 HE3 LYS 81 1HE LYS 81 -8.742 -5.598 2.150 647 HZ1 LYS 81 3HZ LYS 81 -9.360 -7.965 2.004 648 HZ2 LYS 81 1HZ LYS 81 -9.659 -7.339 3.525 649 HZ3 LYS 81 2HZ LYS 81 -8.352 -8.333 3.312 650 H SER 82 H SER 82 -3.079 -4.862 4.471 651 HA SER 82 HA SER 82 -2.069 -2.318 3.908 652 HB2 SER 82 2HB SER 82 -1.013 -2.531 6.190 653 HB3 SER 82 1HB SER 82 -2.756 -2.794 6.135 654 HG SER 82 HG SER 82 -0.711 -4.782 6.318 655 H THR 83 H THR 83 -0.359 -5.392 4.385 656 HA THR 83 HA THR 83 2.213 -4.323 4.179 657 HB THR 83 HB THR 83 1.259 -7.122 3.600 658 HG1 THR 83 1HG THR 83 2.014 -5.974 6.092 659 HG21 THR 83 3HG2 THR 83 3.469 -7.776 4.470 660 HG22 THR 83 1HG2 THR 83 3.876 -6.084 4.742 661 HG23 THR 83 2HG2 THR 83 3.659 -6.677 3.103 662 H GLY 84 H GLY 84 0.050 -5.821 1.788 663 HA2 GLY 84 2HA GLY 84 1.944 -5.877 -0.327 664 HA3 GLY 84 1HA GLY 84 0.205 -6.066 -0.486 665 H PHE 85 H PHE 85 -0.718 -3.674 0.470 666 HA PHE 85 HA PHE 85 -0.330 -2.071 -1.826 667 HB2 PHE 85 2HB PHE 85 -2.450 -2.401 -0.438 668 HB3 PHE 85 1HB PHE 85 -1.744 -1.297 0.722 669 HD1 PHE 85 1HD PHE 85 -1.948 -1.226 -3.010 670 HD2 PHE 85 2HD PHE 85 -2.942 0.645 0.673 671 HE1 PHE 85 1HE PHE 85 -3.015 0.623 -4.238 672 HE2 PHE 85 2HE PHE 85 -3.989 2.495 -0.548 673 HZ PHE 85 HZ PHE 85 -4.028 2.485 -3.003 674 H ALA 86 H ALA 86 1.068 -2.133 1.352 675 HA ALA 86 HA ALA 86 2.185 0.455 1.412 676 HB1 ALA 86 1HB ALA 86 3.278 -2.081 2.630 677 HB2 ALA 86 2HB ALA 86 2.115 -1.000 3.397 678 HB3 ALA 86 3HB ALA 86 3.755 -0.439 3.061 679 H ARG 87 H ARG 87 3.395 -2.632 0.216 680 HA ARG 87 HA ARG 87 5.861 -1.529 -0.623 681 HB2 ARG 87 2HB ARG 87 5.595 -3.955 -0.173 682 HB3 ARG 87 1HB ARG 87 4.540 -4.085 -1.573 683 HG2 ARG 87 2HG ARG 87 6.818 -4.854 -2.075 684 HG3 ARG 87 1HG ARG 87 6.373 -3.444 -3.044 685 HD2 ARG 87 2HD ARG 87 7.533 -1.991 -1.453 686 HD3 ARG 87 1HD ARG 87 7.997 -3.407 -0.516 687 HE ARG 87 HE ARG 87 8.917 -3.781 -3.094 688 HH11 ARG 87 1HH1 ARG 87 9.463 -1.529 -0.421 689 HH12 ARG 87 2HH1 ARG 87 11.019 -1.078 -0.931 690 HH21 ARG 87 1HH2 ARG 87 11.071 -3.083 -3.837 691 HH22 ARG 87 2HH2 ARG 87 11.952 -1.955 -2.905 692 H ASP 88 H ASP 88 2.819 -2.119 -2.101 693 HA ASP 88 HA ASP 88 3.453 -1.512 -4.774 694 HB2 ASP 88 2HB ASP 88 1.335 -2.602 -3.972 695 HB3 ASP 88 1HB ASP 88 0.803 -1.025 -3.403 696 H LEU 89 H LEU 89 2.381 0.607 -2.125 697 HA LEU 89 HA LEU 89 2.448 2.963 -3.718 698 HB2 LEU 89 2HB LEU 89 1.123 2.823 -1.653 699 HB3 LEU 89 1HB LEU 89 2.598 2.703 -0.717 700 HG LEU 89 HG LEU 89 3.229 4.981 -1.438 701 HD11 LEU 89 1HD1 LEU 89 2.067 5.107 -3.559 702 HD12 LEU 89 2HD1 LEU 89 1.559 6.427 -2.506 703 HD13 LEU 89 3HD1 LEU 89 0.509 5.030 -2.735 704 HD21 LEU 89 3HD2 LEU 89 1.532 6.166 -0.114 705 HD22 LEU 89 1HD2 LEU 89 2.092 4.686 0.661 706 HD23 LEU 89 2HD2 LEU 89 0.529 4.713 -0.143 707 H ALA 90 H ALA 90 4.840 1.304 -1.768 708 HA ALA 90 HA ALA 90 6.865 3.270 -1.805 709 HB1 ALA 90 1HB ALA 90 8.432 1.423 -1.421 710 HB2 ALA 90 2HB ALA 90 7.186 0.264 -1.876 711 HB3 ALA 90 3HB ALA 90 6.995 1.228 -0.412 712 H ASP 91 H ASP 91 5.877 0.852 -4.027 713 HA ASP 91 HA ASP 91 7.933 1.119 -5.953 714 HB2 ASP 91 2HB ASP 91 6.515 -0.862 -5.902 715 HB3 ASP 91 1HB ASP 91 5.093 0.114 -6.230 716 H TYR 92 H TYR 92 4.768 2.619 -5.576 717 HA TYR 92 HA TYR 92 4.726 4.214 -7.864 718 HB2 TYR 92 2HB TYR 92 3.459 4.467 -5.192 719 HB3 TYR 92 1HB TYR 92 3.494 5.893 -6.211 720 HD1 TYR 92 2HD TYR 92 2.405 5.826 -8.431 721 HD2 TYR 92 1HD TYR 92 1.923 2.705 -5.595 722 HE1 TYR 92 2HE TYR 92 0.391 5.105 -9.599 723 HE2 TYR 92 1HE TYR 92 -0.092 1.948 -6.743 724 HH TYR 92 HH TYR 92 -1.712 2.597 -8.245 725 H ILE 93 H ILE 93 5.990 5.087 -4.638 726 HA ILE 93 HA ILE 93 6.814 7.634 -5.568 727 HB ILE 93 HB ILE 93 8.103 7.906 -3.494 728 HG12 ILE 93 2HG1 ILE 93 7.251 5.074 -2.817 729 HG13 ILE 93 1HG1 ILE 93 8.865 5.528 -3.313 730 HG21 ILE 93 1HG2 ILE 93 6.217 7.750 -1.921 731 HG22 ILE 93 2HG2 ILE 93 5.350 6.748 -3.086 732 HG23 ILE 93 3HG2 ILE 93 5.737 8.420 -3.484 733 HD11 ILE 93 3HD1 ILE 93 9.091 6.967 -1.358 734 HD12 ILE 93 1HD1 ILE 93 8.733 5.300 -0.905 735 HD13 ILE 93 2HD1 ILE 93 7.462 6.520 -0.846 736 H GLN 94 H GLN 94 8.434 4.564 -5.410 737 HA GLN 94 HA GLN 94 10.987 5.534 -6.155 738 HB2 GLN 94 2HB GLN 94 9.678 2.849 -6.297 739 HB3 GLN 94 1HB GLN 94 11.304 3.121 -6.920 740 HG2 GLN 94 2HG GLN 94 12.088 3.776 -4.743 741 HG3 GLN 94 1HG GLN 94 10.448 3.790 -4.105 742 HE21 GLN 94 1HE2 GLN 94 11.004 2.404 -2.478 743 HE22 GLN 94 2HE2 GLN 94 11.318 0.721 -2.750 744 H GLU 95 H GLU 95 8.154 4.618 -7.949 745 HA GLU 95 HA GLU 95 9.386 4.735 -10.440 746 HB2 GLU 95 2HB GLU 95 6.691 4.492 -9.438 747 HB3 GLU 95 1HB GLU 95 6.709 5.424 -10.920 748 HG2 GLU 95 2HG GLU 95 7.842 2.671 -10.489 749 HG3 GLU 95 1HG GLU 95 6.396 3.093 -11.412 750 H GLN 96 H GLN 96 8.090 7.138 -8.354 751 HA GLN 96 HA GLN 96 8.313 9.239 -10.348 752 HB2 GLN 96 2HB GLN 96 7.846 9.565 -7.388 753 HB3 GLN 96 1HB GLN 96 7.490 10.726 -8.653 754 HG2 GLN 96 2HG GLN 96 6.080 8.127 -8.082 755 HG3 GLN 96 1HG GLN 96 5.440 9.756 -7.913 756 HE21 GLN 96 1HE2 GLN 96 4.528 7.427 -9.428 757 HE22 GLN 96 2HE2 GLN 96 4.387 7.916 -11.074 758 H GLY 97 H GLY 97 10.360 7.616 -8.270 759 HA2 GLY 97 2HA GLY 97 12.631 7.839 -8.094 760 HA3 GLY 97 1HA GLY 97 12.525 9.403 -8.896 761 H TRP 98 H TRP 98 10.535 8.766 -6.146 762 HA TRP 98 HA TRP 98 12.051 10.820 -4.763 763 HB2 TRP 98 2HB TRP 98 9.313 9.701 -4.137 764 HB3 TRP 98 1HB TRP 98 10.093 11.039 -3.296 765 HD1 TRP 98 HD TRP 98 11.183 12.489 -6.032 766 HE1 TRP 98 1HE TRP 98 9.527 13.777 -7.459 767 HE3 TRP 98 3HE TRP 98 6.858 10.341 -4.323 768 HZ2 TRP 98 2HZ TRP 98 6.698 13.908 -7.816 769 HZ3 TRP 98 3HZ TRP 98 4.717 11.123 -5.256 770 HH2 TRP 98 HH TRP 98 4.642 12.864 -6.964 771 H GLN 99 H GLN 99 12.600 10.653 -2.579 772 HA GLN 99 HA GLN 99 13.212 7.889 -1.749 773 HB2 GLN 99 2HB GLN 99 15.173 8.802 -0.599 774 HB3 GLN 99 1HB GLN 99 15.221 9.155 -2.317 775 HG2 GLN 99 2HG GLN 99 14.529 11.456 -1.876 776 HG3 GLN 99 1HG GLN 99 14.391 11.090 -0.160 777 HE21 GLN 99 1HE2 GLN 99 16.113 13.052 -1.595 778 HE22 GLN 99 2HE2 GLN 99 17.700 12.681 -1.030 779 H THR 100 H THR 100 13.519 7.719 0.678 780 HA THR 100 HA THR 100 12.342 9.655 2.353 781 HB THR 100 HB THR 100 10.231 8.662 1.521 782 HG1 THR 100 1HG THR 100 10.478 7.600 4.126 783 HG21 THR 100 3HG2 THR 100 11.065 6.424 0.909 784 HG22 THR 100 1HG2 THR 100 9.682 6.298 1.997 785 HG23 THR 100 2HG2 THR 100 11.317 6.048 2.612 786 H TYR 101 H TYR 101 12.436 8.901 4.626 787 HA TYR 101 HA TYR 101 14.763 7.157 4.885 788 HB2 TYR 101 2HB TYR 101 13.371 8.824 7.005 789 HB3 TYR 101 1HB TYR 101 14.934 8.032 7.153 790 HD1 TYR 101 2HD TYR 101 16.735 8.774 5.416 791 HD2 TYR 101 1HD TYR 101 13.294 11.057 6.398 792 HE1 TYR 101 2HE TYR 101 17.840 10.797 4.556 793 HE2 TYR 101 1HE TYR 101 14.387 13.088 5.540 794 HH TYR 101 HH TYR 101 17.292 12.965 3.731 795 H GLY 102 H GLY 102 14.355 5.084 5.269 796 HA2 GLY 102 2HA GLY 102 13.447 3.465 6.810 797 HA3 GLY 102 1HA GLY 102 11.999 4.468 6.902 798 H ASP 103 H ASP 103 10.721 2.757 6.303 799 HA ASP 103 HA ASP 103 10.670 2.372 3.423 800 HB2 ASP 103 2HB ASP 103 10.509 0.244 5.514 801 HB3 ASP 103 1HB ASP 103 9.505 0.073 4.078 802 H VAL 104 H VAL 104 8.567 1.978 2.567 803 HA VAL 104 HA VAL 104 6.731 3.795 3.808 804 HB VAL 104 HB VAL 104 6.401 2.143 1.296 805 HG11 VAL 104 1HG1 VAL 104 4.831 4.537 2.263 806 HG12 VAL 104 2HG1 VAL 104 4.246 2.875 2.189 807 HG13 VAL 104 3HG1 VAL 104 4.631 3.741 0.701 808 HG21 VAL 104 3HG2 VAL 104 8.285 3.641 1.121 809 HG22 VAL 104 1HG2 VAL 104 7.295 4.989 1.680 810 HG23 VAL 104 2HG2 VAL 104 6.949 4.233 0.129 811 H VAL 105 H VAL 105 5.214 3.328 5.110 812 HA VAL 105 HA VAL 105 4.192 0.601 5.209 813 HB VAL 105 HB VAL 105 3.676 0.969 7.629 814 HG11 VAL 105 1HG1 VAL 105 5.707 -0.210 7.042 815 HG12 VAL 105 2HG1 VAL 105 5.971 0.777 8.480 816 HG13 VAL 105 3HG1 VAL 105 6.581 1.317 6.916 817 HG21 VAL 105 3HG2 VAL 105 4.729 2.823 8.835 818 HG22 VAL 105 1HG2 VAL 105 3.571 3.411 7.642 819 HG23 VAL 105 2HG2 VAL 105 5.302 3.495 7.309 820 H VAL 106 H VAL 106 2.097 0.359 4.976 821 HA VAL 106 HA VAL 106 0.395 2.736 4.916 822 HB VAL 106 HB VAL 106 0.496 0.386 2.977 823 HG11 VAL 106 1HG1 VAL 106 -1.572 2.561 3.096 824 HG12 VAL 106 2HG1 VAL 106 -1.852 0.873 3.548 825 HG13 VAL 106 3HG1 VAL 106 -1.454 1.296 1.877 826 HG21 VAL 106 3HG2 VAL 106 2.031 2.256 2.526 827 HG22 VAL 106 1HG2 VAL 106 0.657 3.355 2.497 828 HG23 VAL 106 2HG2 VAL 106 0.794 2.096 1.275 829 H ARG 107 H ARG 107 -1.073 2.538 6.483 830 HA ARG 107 HA ARG 107 -1.994 -0.188 7.092 831 HB2 ARG 107 2HB ARG 107 -2.081 0.187 9.371 832 HB3 ARG 107 1HB ARG 107 -0.582 0.977 8.920 833 HG2 ARG 107 2HG ARG 107 -1.652 3.130 9.019 834 HG3 ARG 107 1HG ARG 107 -3.214 2.372 9.327 835 HD2 ARG 107 2HD ARG 107 -0.802 2.472 11.124 836 HD3 ARG 107 1HD ARG 107 -2.434 3.116 11.360 837 HE ARG 107 HE ARG 107 -1.865 0.229 11.282 838 HH11 ARG 107 1HH1 ARG 107 -3.809 2.888 12.696 839 HH12 ARG 107 2HH1 ARG 107 -4.276 1.942 14.029 840 HH21 ARG 107 1HH2 ARG 107 -2.595 -0.997 13.132 841 HH22 ARG 107 2HH2 ARG 107 -3.626 -0.275 14.281 842 H PHE 108 H PHE 108 -4.130 -0.467 7.534 843 HA PHE 108 HA PHE 108 -5.875 1.779 6.836 844 HB2 PHE 108 2HB PHE 108 -6.369 -1.213 6.629 845 HB3 PHE 108 1HB PHE 108 -7.557 0.032 6.283 846 HD1 PHE 108 2HD PHE 108 -7.397 1.374 4.267 847 HD2 PHE 108 1HD PHE 108 -4.591 -1.722 5.079 848 HE1 PHE 108 2HE PHE 108 -6.671 1.423 1.920 849 HE2 PHE 108 1HE PHE 108 -3.865 -1.681 2.728 850 HZ PHE 108 HZ PHE 108 -4.907 -0.108 1.148 851 H GLU 109 H GLU 109 -7.153 2.473 8.456 852 HA GLU 109 HA GLU 109 -7.768 0.614 10.599 853 HB2 GLU 109 2HB GLU 109 -7.342 2.347 12.303 854 HB3 GLU 109 1HB GLU 109 -5.884 1.852 11.465 855 HG2 GLU 109 2HG GLU 109 -5.979 3.860 10.104 856 HG3 GLU 109 1HG GLU 109 -7.461 4.353 10.919 857 H GLN 110 H GLN 110 -9.532 1.325 11.907 858 HA GLN 110 HA GLN 110 -11.532 2.690 10.273 859 HB2 GLN 110 2HB GLN 110 -11.867 0.324 11.113 860 HB3 GLN 110 1HB GLN 110 -11.828 1.026 12.728 861 HG2 GLN 110 2HG GLN 110 -13.800 2.277 12.317 862 HG3 GLN 110 1HG GLN 110 -13.848 1.717 10.638 863 HE21 GLN 110 1HE2 GLN 110 -14.327 -0.387 10.232 864 HE22 GLN 110 2HE2 GLN 110 -15.095 -1.433 11.373 865 H SER 111 H SER 111 -12.563 4.472 11.090 866 HA SER 111 HA SER 111 -12.163 5.134 13.868 867 HB2 SER 111 2HB SER 111 -11.672 6.941 11.521 868 HB3 SER 111 1HB SER 111 -11.824 7.510 13.178 869 HG SER 111 HG SER 111 -10.113 5.482 13.117 870 H SER 112 H SER 112 -13.994 5.778 14.756 871 HA SER 112 HA SER 112 -16.456 5.753 13.355 872 HB2 SER 112 2HB SER 112 -15.854 6.864 16.097 873 HB3 SER 112 1HB SER 112 -17.429 6.343 15.498 874 HG SER 112 HG SER 112 -16.801 4.622 16.487 875 H ASN 113 H ASN 113 -14.124 8.206 14.004 876 HA ASN 113 HA ASN 113 -15.738 10.528 13.619 877 HB2 ASN 113 2HB ASN 113 -12.796 9.967 13.683 878 HB3 ASN 113 1HB ASN 113 -13.415 11.530 13.195 879 HD21 ASN 113 1HD2 ASN 113 -12.310 12.443 15.015 880 HD22 ASN 113 2HD2 ASN 113 -12.957 12.285 16.610 881 H LEU 114 H LEU 114 -15.056 8.192 11.548 882 HA LEU 114 HA LEU 114 -15.092 9.929 9.206 883 HB2 LEU 114 2HB LEU 114 -12.813 8.814 9.799 884 HB3 LEU 114 1HB LEU 114 -13.587 7.299 9.424 885 HG LEU 114 HG LEU 114 -12.101 8.114 7.634 886 HD11 LEU 114 1HD1 LEU 114 -13.893 6.649 7.011 887 HD12 LEU 114 2HD1 LEU 114 -13.590 7.837 5.741 888 HD13 LEU 114 3HD1 LEU 114 -14.979 8.022 6.809 889 HD21 LEU 114 3HD2 LEU 114 -14.056 10.394 7.370 890 HD22 LEU 114 1HD2 LEU 114 -12.728 10.036 6.269 891 HD23 LEU 114 2HD2 LEU 114 -12.391 10.505 7.934 892 H HIS 115 H HIS 115 -16.447 8.910 7.498 893 HA HIS 115 HA HIS 115 -17.746 6.437 8.182 894 HB2 HIS 115 2HB HIS 115 -19.105 8.210 9.345 895 HB3 HIS 115 1HB HIS 115 -19.346 8.977 7.783 896 HD1 HIS 115 1HD HIS 115 -21.532 8.396 6.713 897 HD2 HIS 115 2HD HIS 115 -20.190 5.409 9.275 898 HE1 HIS 115 1HE HIS 115 -23.312 6.613 6.706 899 H THR 116 H THR 116 -19.067 5.668 6.437 900 HA THR 116 HA THR 116 -17.923 5.326 4.060 901 HB THR 116 HB THR 116 -20.892 5.425 4.555 902 HG1 THR 116 1HG THR 116 -18.840 3.786 5.569 903 HG21 THR 116 3HG2 THR 116 -20.886 3.477 3.007 904 HG22 THR 116 1HG2 THR 116 -19.151 3.691 2.787 905 HG23 THR 116 2HG2 THR 116 -20.268 4.937 2.233 906 H GLY 117 H GLY 117 -17.581 6.538 2.309 907 HA2 GLY 117 2HA GLY 117 -18.554 7.961 0.572 908 HA3 GLY 117 1HA GLY 117 -19.238 8.934 1.878 909 H GLN 118 H GLN 118 -17.025 8.678 3.580 910 HA GLN 118 HA GLN 118 -15.116 10.462 2.261 911 HB2 GLN 118 2HB GLN 118 -15.815 10.019 5.154 912 HB3 GLN 118 1HB GLN 118 -14.504 11.051 4.634 913 HG2 GLN 118 2HG GLN 118 -16.126 12.497 3.491 914 HG3 GLN 118 1HG GLN 118 -17.430 11.443 4.034 915 HE21 GLN 118 1HE2 GLN 118 -16.188 10.983 6.631 916 HE22 GLN 118 2HE2 GLN 118 -16.421 12.435 7.534 917 H PHE 119 H PHE 119 -12.872 10.049 2.727 918 HA PHE 119 HA PHE 119 -11.980 7.970 4.367 919 HB2 PHE 119 2HB PHE 119 -11.075 6.428 2.703 920 HB3 PHE 119 1HB PHE 119 -12.773 6.620 2.360 921 HD1 PHE 119 2HD PHE 119 -13.538 7.739 0.339 922 HD2 PHE 119 1HD PHE 119 -9.387 7.279 1.170 923 HE1 PHE 119 2HE PHE 119 -13.006 8.278 -2.001 924 HE2 PHE 119 1HE PHE 119 -8.846 7.813 -1.147 925 HZ PHE 119 HZ PHE 119 -10.659 8.316 -2.757 926 H ARG 120 H ARG 120 -9.651 8.184 4.512 927 HA ARG 120 HA ARG 120 -8.444 10.048 2.714 928 HB2 ARG 120 2HB ARG 120 -9.633 11.465 4.519 929 HB3 ARG 120 1HB ARG 120 -8.393 10.856 5.615 930 HG2 ARG 120 2HG ARG 120 -6.667 11.725 4.125 931 HG3 ARG 120 1HG ARG 120 -7.919 12.386 3.077 932 HD2 ARG 120 2HD ARG 120 -7.175 14.198 4.405 933 HD3 ARG 120 1HD ARG 120 -8.711 13.696 5.089 934 HE ARG 120 HE ARG 120 -7.335 12.451 6.771 935 HH11 ARG 120 1HH1 ARG 120 -6.050 15.324 5.140 936 HH12 ARG 120 2HH1 ARG 120 -5.054 15.801 6.429 937 HH21 ARG 120 1HH2 ARG 120 -6.005 13.088 8.540 938 HH22 ARG 120 2HH2 ARG 120 -5.025 14.483 8.458 939 H ALA 121 H ALA 121 -6.234 10.094 2.884 940 HA ALA 121 HA ALA 121 -5.048 8.087 4.634 941 HB1 ALA 121 1HB ALA 121 -5.029 7.469 2.223 942 HB2 ALA 121 2HB ALA 121 -3.423 7.700 2.910 943 HB3 ALA 121 3HB ALA 121 -4.127 8.953 1.898 944 H ARG 122 H ARG 122 -3.326 8.833 5.820 945 HA ARG 122 HA ARG 122 -2.623 11.580 5.444 946 HB2 ARG 122 2HB ARG 122 -3.649 10.877 7.539 947 HB3 ARG 122 1HB ARG 122 -2.379 9.677 7.733 948 HG2 ARG 122 2HG ARG 122 -1.814 11.454 9.123 949 HG3 ARG 122 1HG ARG 122 -0.764 11.573 7.719 950 HD2 ARG 122 2HD ARG 122 -3.321 13.132 8.003 951 HD3 ARG 122 1HD ARG 122 -1.735 13.631 8.575 952 HE ARG 122 HE ARG 122 -2.015 13.051 5.701 953 HH11 ARG 122 1HH1 ARG 122 -1.685 15.543 8.210 954 HH12 ARG 122 2HH1 ARG 122 -1.217 16.725 7.090 955 HH21 ARG 122 1HH2 ARG 122 -1.439 14.581 4.305 956 HH22 ARG 122 2HH2 ARG 122 -1.043 16.195 4.769 957 H GLY 123 H GLY 123 -0.712 11.743 4.462 958 HA2 GLY 123 2HA GLY 123 1.253 9.572 4.723 959 HA3 GLY 123 1HA GLY 123 1.199 10.747 3.411 960 H THR 124 H THR 124 2.592 9.940 6.321 961 HA THR 124 HA THR 124 3.758 12.606 6.606 962 HB THR 124 HB THR 124 4.063 11.718 9.058 963 HG1 THR 124 1HG THR 124 2.962 9.867 9.472 964 HG21 THR 124 3HG2 THR 124 1.886 12.706 9.683 965 HG22 THR 124 1HG2 THR 124 1.358 12.598 8.004 966 HG23 THR 124 2HG2 THR 124 2.690 13.668 8.441 967 H VAL 125 H VAL 125 5.987 12.572 7.487 968 HA VAL 125 HA VAL 125 7.495 10.160 6.746 969 HB VAL 125 HB VAL 125 8.509 12.947 7.486 970 HG11 VAL 125 1HG1 VAL 125 9.976 10.606 6.276 971 HG12 VAL 125 2HG1 VAL 125 10.143 11.204 7.926 972 HG13 VAL 125 3HG1 VAL 125 10.658 12.205 6.568 973 HG21 VAL 125 3HG2 VAL 125 8.955 13.360 5.166 974 HG22 VAL 125 1HG2 VAL 125 7.248 12.957 5.338 975 HG23 VAL 125 2HG2 VAL 125 8.404 11.757 4.716 976 H ASN 126 H ASN 126 8.358 8.967 8.478 977 HA ASN 126 HA ASN 126 7.973 10.297 11.041 978 HB2 ASN 126 2HB ASN 126 7.567 8.192 12.165 979 HB3 ASN 126 1HB ASN 126 6.461 8.339 10.813 980 HD21 ASN 126 1HD2 ASN 126 7.423 6.034 12.314 981 HD22 ASN 126 2HD2 ASN 126 8.090 4.953 11.149 982 HA PRO 127 HA PRO 127 12.321 9.743 11.569 983 HB2 PRO 127 2HB PRO 127 12.558 10.983 13.931 984 HB3 PRO 127 1HB PRO 127 12.202 11.898 12.461 985 HG2 PRO 127 2HG PRO 127 10.341 10.999 14.625 986 HG3 PRO 127 1HG PRO 127 10.409 12.564 13.795 987 HD2 PRO 127 2HD PRO 127 8.634 10.566 13.151 988 HD3 PRO 127 1HD PRO 127 9.197 11.803 12.007 989 H ASP 128 H ASP 128 9.805 8.311 13.173 990 HA ASP 128 HA ASP 128 11.529 6.977 15.090 991 HB2 ASP 128 2HB ASP 128 8.516 7.112 15.031 992 HB3 ASP 128 1HB ASP 128 9.412 6.067 16.124 993 H VAL 129 H VAL 129 12.390 6.046 13.135 994 HA VAL 129 HA VAL 129 10.942 3.604 12.417 995 HB VAL 129 HB VAL 129 13.427 4.801 11.122 996 HG11 VAL 129 1HG1 VAL 129 13.158 3.069 9.410 997 HG12 VAL 129 2HG1 VAL 129 11.779 2.409 10.289 998 HG13 VAL 129 3HG1 VAL 129 13.386 2.340 11.002 999 HG21 VAL 129 3HG2 VAL 129 11.385 6.076 10.661 1000 HG22 VAL 129 1HG2 VAL 129 10.590 4.605 10.105 1001 HG23 VAL 129 2HG2 VAL 129 11.966 5.254 9.210 1002 H GLU 130 H GLU 130 11.317 2.107 13.859 1003 HA GLU 130 HA GLU 130 13.777 2.050 15.315 1004 HB2 GLU 130 2HB GLU 130 12.775 0.123 16.514 1005 HB3 GLU 130 1HB GLU 130 11.785 1.571 16.545 1006 HG2 GLU 130 2HG GLU 130 10.328 0.640 14.852 1007 HG3 GLU 130 1HG GLU 130 11.358 -0.786 14.725 1008 H THR 131 H THR 131 15.110 0.208 15.538 1009 HA THR 131 HA THR 131 15.126 -1.517 13.224 1010 HB THR 131 HB THR 131 16.795 0.249 12.822 1011 HG1 THR 131 1HG THR 131 17.301 -1.810 12.086 1012 HG21 THR 131 3HG2 THR 131 17.298 0.825 15.168 1013 HG22 THR 131 1HG2 THR 131 18.786 0.501 14.250 1014 HG23 THR 131 2HG2 THR 131 18.108 -0.728 15.332 1015 H HIS 132 H HIS 132 14.778 -3.404 13.947 1016 HA HIS 132 HA HIS 132 16.258 -4.522 16.179 1017 HB2 HIS 132 2HB HIS 132 13.214 -4.548 16.040 1018 HB3 HIS 132 1HB HIS 132 14.146 -5.587 17.098 1019 HD1 HIS 132 1HD HIS 132 12.221 -2.548 17.286 1020 HD2 HIS 132 2HD HIS 132 15.881 -3.792 18.867 1021 HE1 HIS 132 1HE HIS 132 12.638 -1.127 19.265 Start of MODEL 12 1 H1 MET 1 1HT MET 1 11.992 44.044 -14.679 2 H2 MET 1 2HT MET 1 11.639 43.755 -16.264 3 H3 MET 1 3HT MET 1 11.090 42.680 -15.075 4 HA MET 1 HA MET 1 9.763 44.509 -14.113 5 HB2 MET 1 2HB MET 1 11.170 46.321 -15.157 6 HB3 MET 1 1HB MET 1 10.438 45.920 -16.700 7 HG2 MET 1 2HG MET 1 8.232 46.483 -15.801 8 HG3 MET 1 1HG MET 1 8.979 46.911 -14.266 9 HE1 MET 1 2HE MET 1 7.972 50.404 -15.578 10 HE2 MET 1 3HE MET 1 7.959 49.295 -14.210 11 HE3 MET 1 1HE MET 1 7.065 48.898 -15.677 12 H GLY 2 H GLY 2 10.153 43.261 -17.398 13 HA2 GLY 2 2HA GLY 2 7.428 43.351 -18.090 14 HA3 GLY 2 1HA GLY 2 8.669 42.356 -18.841 15 H SER 3 H SER 3 5.977 41.608 -18.187 16 HA SER 3 HA SER 3 6.325 39.827 -15.948 17 HB2 SER 3 2HB SER 3 3.902 39.258 -16.424 18 HB3 SER 3 1HB SER 3 4.196 40.948 -16.016 19 HG SER 3 HG SER 3 4.024 41.475 -18.197 20 H GLN 4 H GLN 4 7.185 37.872 -16.254 21 HA GLN 4 HA GLN 4 7.527 36.802 -18.837 22 HB2 GLN 4 2HB GLN 4 7.702 35.402 -16.155 23 HB3 GLN 4 1HB GLN 4 8.181 34.686 -17.683 24 HG2 GLN 4 2HG GLN 4 9.832 36.509 -17.943 25 HG3 GLN 4 1HG GLN 4 9.438 37.051 -16.316 26 HE21 GLN 4 1HE2 GLN 4 11.936 36.114 -17.380 27 HE22 GLN 4 2HE2 GLN 4 12.406 34.756 -16.419 28 H LYS 5 H LYS 5 5.927 36.236 -20.024 29 HA LYS 5 HA LYS 5 3.406 35.456 -18.927 30 HB2 LYS 5 2HB LYS 5 4.333 35.344 -21.796 31 HB3 LYS 5 1HB LYS 5 2.671 35.337 -21.218 32 HG2 LYS 5 2HG LYS 5 2.941 37.609 -20.396 33 HG3 LYS 5 1HG LYS 5 4.617 37.621 -20.939 34 HD2 LYS 5 2HD LYS 5 3.339 38.758 -22.581 35 HD3 LYS 5 1HD LYS 5 3.774 37.183 -23.243 36 HE2 LYS 5 2HE LYS 5 1.467 37.680 -23.767 37 HE3 LYS 5 1HE LYS 5 1.532 36.335 -22.636 38 HZ1 LYS 5 3HZ LYS 5 -0.175 37.907 -22.027 39 HZ2 LYS 5 1HZ LYS 5 0.931 39.162 -21.972 40 HZ3 LYS 5 2HZ LYS 5 1.007 37.924 -20.827 41 H ARG 6 H ARG 6 4.225 33.657 -17.754 42 HA ARG 6 HA ARG 6 5.348 31.523 -19.172 43 HB2 ARG 6 2HB ARG 6 5.207 30.220 -17.096 44 HB3 ARG 6 1HB ARG 6 6.003 31.769 -16.888 45 HG2 ARG 6 2HG ARG 6 3.876 32.645 -16.035 46 HG3 ARG 6 1HG ARG 6 3.242 30.991 -16.080 47 HD2 ARG 6 2HD ARG 6 5.596 31.997 -14.464 48 HD3 ARG 6 1HD ARG 6 4.041 31.481 -13.820 49 HE ARG 6 HE ARG 6 5.273 29.395 -15.295 50 HH11 ARG 6 1HH1 ARG 6 5.406 31.042 -12.155 51 HH12 ARG 6 2HH1 ARG 6 6.213 29.778 -11.373 52 HH21 ARG 6 1HH2 ARG 6 6.386 27.606 -14.147 53 HH22 ARG 6 2HH2 ARG 6 6.760 27.823 -12.500 54 H LEU 7 H LEU 7 4.223 30.834 -20.704 55 HA LEU 7 HA LEU 7 1.633 29.669 -20.081 56 HB2 LEU 7 2HB LEU 7 1.636 31.643 -21.703 57 HB3 LEU 7 1HB LEU 7 2.601 30.678 -22.779 58 HG LEU 7 HG LEU 7 0.164 30.882 -23.381 59 HD11 LEU 7 1HD1 LEU 7 -0.182 28.535 -23.980 60 HD12 LEU 7 2HD1 LEU 7 1.193 28.092 -22.959 61 HD13 LEU 7 3HD1 LEU 7 1.434 29.116 -24.373 62 HD21 LEU 7 3HD2 LEU 7 -0.238 29.079 -21.002 63 HD22 LEU 7 1HD2 LEU 7 -1.461 29.517 -22.188 64 HD23 LEU 7 2HD2 LEU 7 -0.772 30.753 -21.132 65 H VAL 8 H VAL 8 2.795 27.931 -19.317 66 HA VAL 8 HA VAL 8 4.001 26.304 -21.410 67 HB VAL 8 HB VAL 8 4.362 26.093 -18.396 68 HG11 VAL 8 1HG1 VAL 8 6.074 24.411 -18.908 69 HG12 VAL 8 2HG1 VAL 8 5.684 24.544 -20.622 70 HG13 VAL 8 3HG1 VAL 8 4.485 23.910 -19.489 71 HG21 VAL 8 3HG2 VAL 8 5.536 28.025 -19.303 72 HG22 VAL 8 1HG2 VAL 8 6.286 27.008 -20.533 73 HG23 VAL 8 2HG2 VAL 8 6.686 26.773 -18.834 74 H GLN 9 H GLN 9 2.286 25.361 -22.220 75 HA GLN 9 HA GLN 9 0.253 24.298 -20.478 76 HB2 GLN 9 2HB GLN 9 0.470 24.475 -23.476 77 HB3 GLN 9 1HB GLN 9 -0.847 23.658 -22.651 78 HG2 GLN 9 2HG GLN 9 -0.137 26.560 -22.294 79 HG3 GLN 9 1HG GLN 9 -1.416 25.957 -23.347 80 HE21 GLN 9 1HE2 GLN 9 -3.236 25.072 -22.422 81 HE22 GLN 9 2HE2 GLN 9 -3.697 25.350 -20.790 82 H ARG 10 H ARG 10 0.703 22.509 -19.568 83 HA ARG 10 HA ARG 10 1.677 20.334 -21.238 84 HB2 ARG 10 2HB ARG 10 2.048 20.730 -18.261 85 HB3 ARG 10 1HB ARG 10 2.412 19.240 -19.110 86 HG2 ARG 10 2HG ARG 10 3.741 21.897 -19.587 87 HG3 ARG 10 1HG ARG 10 4.416 20.559 -18.653 88 HD2 ARG 10 2HD ARG 10 3.776 20.584 -21.608 89 HD3 ARG 10 1HD ARG 10 5.372 20.566 -20.870 90 HE ARG 10 HE ARG 10 3.466 18.327 -20.551 91 HH11 ARG 10 1HH1 ARG 10 6.749 19.482 -21.326 92 HH12 ARG 10 2HH1 ARG 10 7.356 17.931 -21.613 93 HH21 ARG 10 1HH2 ARG 10 4.301 16.213 -20.936 94 HH22 ARG 10 2HH2 ARG 10 5.928 16.019 -21.417 95 H VAL 11 H VAL 11 -0.483 20.141 -21.881 96 HA VAL 11 HA VAL 11 -2.308 19.116 -19.873 97 HB VAL 11 HB VAL 11 -2.767 19.506 -22.853 98 HG11 VAL 11 1HG1 VAL 11 -4.269 17.859 -21.903 99 HG12 VAL 11 2HG1 VAL 11 -5.162 19.330 -22.297 100 HG13 VAL 11 3HG1 VAL 11 -4.734 18.978 -20.623 101 HG21 VAL 11 3HG2 VAL 11 -3.568 21.306 -20.563 102 HG22 VAL 11 1HG2 VAL 11 -4.052 21.517 -22.246 103 HG23 VAL 11 2HG2 VAL 11 -2.355 21.661 -21.792 104 H GLU 12 H GLU 12 -1.260 17.281 -19.378 105 HA GLU 12 HA GLU 12 -0.385 15.447 -21.398 106 HB2 GLU 12 2HB GLU 12 -0.696 14.983 -18.430 107 HB3 GLU 12 1HB GLU 12 0.274 14.041 -19.546 108 HG2 GLU 12 2HG GLU 12 0.783 16.886 -18.673 109 HG3 GLU 12 1HG GLU 12 1.692 15.458 -18.192 110 H ARG 13 H ARG 13 -1.424 13.555 -21.955 111 HA ARG 13 HA ARG 13 -4.248 13.514 -21.365 112 HB2 ARG 13 2HB ARG 13 -2.591 11.763 -23.196 113 HB3 ARG 13 1HB ARG 13 -4.330 11.660 -23.023 114 HG2 ARG 13 2HG ARG 13 -4.544 13.963 -23.857 115 HG3 ARG 13 1HG ARG 13 -2.796 14.039 -24.043 116 HD2 ARG 13 2HD ARG 13 -2.853 12.225 -25.648 117 HD3 ARG 13 1HD ARG 13 -4.590 12.053 -25.429 118 HE ARG 13 HE ARG 13 -4.323 14.622 -26.165 119 HH11 ARG 13 1HH1 ARG 13 -3.019 11.651 -27.577 120 HH12 ARG 13 2HH1 ARG 13 -3.183 12.147 -29.187 121 HH21 ARG 13 1HH2 ARG 13 -4.553 15.342 -28.436 122 HH22 ARG 13 2HH2 ARG 13 -4.100 14.297 -29.689 123 H LYS 14 H LYS 14 -4.410 12.893 -19.292 124 HA LYS 14 HA LYS 14 -2.915 10.655 -18.402 125 HB2 LYS 14 2HB LYS 14 -3.901 10.893 -16.202 126 HB3 LYS 14 1HB LYS 14 -3.463 12.477 -16.789 127 HG2 LYS 14 2HG LYS 14 -6.273 11.355 -16.729 128 HG3 LYS 14 1HG LYS 14 -5.585 12.428 -15.520 129 HD2 LYS 14 2HD LYS 14 -5.328 14.165 -17.252 130 HD3 LYS 14 1HD LYS 14 -6.052 13.063 -18.430 131 HE2 LYS 14 2HE LYS 14 -8.102 12.983 -17.115 132 HE3 LYS 14 1HE LYS 14 -7.392 14.060 -15.917 133 HZ1 LYS 14 3HZ LYS 14 -7.245 15.774 -17.661 134 HZ2 LYS 14 1HZ LYS 14 -8.820 15.264 -17.364 135 HZ3 LYS 14 2HZ LYS 14 -8.016 14.743 -18.750 136 H LEU 15 H LEU 15 -3.315 8.756 -19.020 137 HA LEU 15 HA LEU 15 -6.108 7.928 -19.336 138 HB2 LEU 15 2HB LEU 15 -3.711 6.811 -20.805 139 HB3 LEU 15 1HB LEU 15 -5.382 6.366 -21.055 140 HG LEU 15 HG LEU 15 -4.112 9.016 -21.748 141 HD11 LEU 15 1HD1 LEU 15 -3.486 7.235 -23.253 142 HD12 LEU 15 2HD1 LEU 15 -4.576 8.372 -24.047 143 HD13 LEU 15 3HD1 LEU 15 -5.182 6.813 -23.488 144 HD21 LEU 15 3HD2 LEU 15 -6.966 8.094 -22.112 145 HD22 LEU 15 1HD2 LEU 15 -6.276 9.574 -22.784 146 HD23 LEU 15 2HD2 LEU 15 -6.410 9.376 -21.039 147 H GLU 16 H GLU 16 -6.008 7.456 -17.094 148 HA GLU 16 HA GLU 16 -4.151 5.436 -16.253 149 HB2 GLU 16 2HB GLU 16 -6.364 6.793 -14.734 150 HB3 GLU 16 1HB GLU 16 -5.132 5.747 -14.045 151 HG2 GLU 16 2HG GLU 16 -3.416 7.368 -14.835 152 HG3 GLU 16 1HG GLU 16 -4.730 8.439 -15.318 153 H GLN 17 H GLN 17 -4.603 3.572 -17.057 154 HA GLN 17 HA GLN 17 -7.338 2.573 -16.925 155 HB2 GLN 17 2HB GLN 17 -6.503 0.763 -18.445 156 HB3 GLN 17 1HB GLN 17 -6.461 2.388 -19.120 157 HG2 GLN 17 2HG GLN 17 -4.058 2.487 -18.619 158 HG3 GLN 17 1HG GLN 17 -4.123 0.819 -18.048 159 HE21 GLN 17 1HE2 GLN 17 -2.644 2.039 -20.268 160 HE22 GLN 17 2HE2 GLN 17 -3.110 1.140 -21.675 161 H THR 18 H THR 18 -4.828 2.704 -15.031 162 HA THR 18 HA THR 18 -4.528 0.168 -13.898 163 HB THR 18 HB THR 18 -4.606 2.812 -12.443 164 HG1 THR 18 1HG THR 18 -2.809 3.382 -13.402 165 HG21 THR 18 3HG2 THR 18 -2.945 0.320 -12.040 166 HG22 THR 18 1HG2 THR 18 -4.316 0.829 -11.050 167 HG23 THR 18 2HG2 THR 18 -2.835 1.793 -11.069 168 H VAL 19 H VAL 19 -6.077 -0.995 -12.765 169 HA VAL 19 HA VAL 19 -8.126 0.338 -11.306 170 HB VAL 19 HB VAL 19 -9.159 0.434 -13.489 171 HG11 VAL 19 1HG1 VAL 19 -9.674 -1.545 -14.823 172 HG12 VAL 19 2HG1 VAL 19 -8.770 -2.541 -13.682 173 HG13 VAL 19 3HG1 VAL 19 -7.936 -1.311 -14.628 174 HG21 VAL 19 3HG2 VAL 19 -10.691 0.022 -11.674 175 HG22 VAL 19 1HG2 VAL 19 -10.393 -1.718 -11.778 176 HG23 VAL 19 2HG2 VAL 19 -11.210 -0.892 -13.096 177 H GLY 20 H GLY 20 -8.792 -0.800 -9.623 178 HA2 GLY 20 2HA GLY 20 -7.558 -3.384 -9.210 179 HA3 GLY 20 1HA GLY 20 -8.366 -2.400 -7.998 180 H ASP 21 H ASP 21 -9.076 -4.193 -10.965 181 HA ASP 21 HA ASP 21 -11.801 -4.630 -10.405 182 HB2 ASP 21 2HB ASP 21 -9.900 -6.103 -12.200 183 HB3 ASP 21 1HB ASP 21 -11.538 -6.687 -11.949 184 H ALA 22 H ALA 22 -9.020 -6.141 -9.217 185 HA ALA 22 HA ALA 22 -10.049 -8.594 -8.354 186 HB1 ALA 22 1HB ALA 22 -7.644 -8.041 -8.278 187 HB2 ALA 22 2HB ALA 22 -8.235 -8.637 -6.726 188 HB3 ALA 22 3HB ALA 22 -7.965 -6.911 -6.961 189 H PHE 23 H PHE 23 -9.915 -5.523 -6.661 190 HA PHE 23 HA PHE 23 -11.259 -6.299 -4.330 191 HB2 PHE 23 2HB PHE 23 -11.015 -3.728 -5.787 192 HB3 PHE 23 1HB PHE 23 -11.814 -3.799 -4.208 193 HD1 PHE 23 2HD PHE 23 -10.454 -4.317 -2.205 194 HD2 PHE 23 1HD PHE 23 -8.662 -3.821 -6.035 195 HE1 PHE 23 2HE PHE 23 -8.258 -4.058 -1.140 196 HE2 PHE 23 1HE PHE 23 -6.462 -3.558 -4.977 197 HZ PHE 23 HZ PHE 23 -6.254 -3.675 -2.525 198 H ALA 24 H ALA 24 -12.426 -5.104 -7.416 199 HA ALA 24 HA ALA 24 -15.147 -4.849 -6.680 200 HB1 ALA 24 1HB ALA 24 -13.964 -5.228 -9.431 201 HB2 ALA 24 2HB ALA 24 -14.182 -3.682 -8.608 202 HB3 ALA 24 3HB ALA 24 -15.590 -4.643 -9.070 203 H ARG 25 H ARG 25 -13.295 -7.518 -8.102 204 HA ARG 25 HA ARG 25 -15.664 -9.116 -8.381 205 HB2 ARG 25 2HB ARG 25 -12.765 -9.894 -8.667 206 HB3 ARG 25 1HB ARG 25 -14.144 -10.884 -9.113 207 HG2 ARG 25 2HG ARG 25 -13.316 -8.277 -10.377 208 HG3 ARG 25 1HG ARG 25 -13.162 -9.884 -11.081 209 HD2 ARG 25 2HD ARG 25 -15.619 -10.098 -11.088 210 HD3 ARG 25 1HD ARG 25 -15.746 -8.480 -10.394 211 HE ARG 25 HE ARG 25 -14.258 -8.716 -12.848 212 HH11 ARG 25 1HH1 ARG 25 -17.369 -7.824 -11.361 213 HH12 ARG 25 2HH1 ARG 25 -17.931 -6.988 -12.729 214 HH21 ARG 25 1HH2 ARG 25 -15.042 -7.508 -14.709 215 HH22 ARG 25 2HH2 ARG 25 -16.579 -6.792 -14.670 216 H ILE 26 H ILE 26 -13.373 -8.572 -5.890 217 HA ILE 26 HA ILE 26 -14.047 -11.033 -4.503 218 HB ILE 26 HB ILE 26 -12.286 -8.712 -3.656 219 HG12 ILE 26 2HG1 ILE 26 -11.580 -11.547 -4.438 220 HG13 ILE 26 1HG1 ILE 26 -11.404 -10.139 -5.477 221 HG21 ILE 26 1HG2 ILE 26 -12.757 -11.322 -2.211 222 HG22 ILE 26 2HG2 ILE 26 -13.271 -9.724 -1.665 223 HG23 ILE 26 3HG2 ILE 26 -11.555 -10.109 -1.774 224 HD11 ILE 26 3HD1 ILE 26 -9.765 -9.196 -3.927 225 HD12 ILE 26 1HD1 ILE 26 -9.279 -10.793 -4.494 226 HD13 ILE 26 2HD1 ILE 26 -9.953 -10.597 -2.875 227 H PHE 27 H PHE 27 -14.572 -7.550 -3.968 228 HA PHE 27 HA PHE 27 -16.344 -8.235 -1.736 229 HB2 PHE 27 2HB PHE 27 -15.191 -5.606 -2.580 230 HB3 PHE 27 1HB PHE 27 -16.183 -5.857 -1.143 231 HD1 PHE 27 1HD PHE 27 -15.286 -7.576 0.555 232 HD2 PHE 27 2HD PHE 27 -12.913 -5.755 -2.461 233 HE1 PHE 27 1HE PHE 27 -13.272 -8.108 1.833 234 HE2 PHE 27 2HE PHE 27 -10.874 -6.287 -1.185 235 HZ PHE 27 HZ PHE 27 -11.056 -7.467 0.967 236 H GLY 28 H GLY 28 -16.379 -6.928 -4.943 237 HA2 GLY 28 2HA GLY 28 -18.243 -6.603 -6.266 238 HA3 GLY 28 1HA GLY 28 -19.259 -6.780 -4.837 239 H GLY 29 H GLY 29 -19.296 -4.996 -3.331 240 HA2 GLY 29 2HA GLY 29 -19.137 -2.452 -4.794 241 HA3 GLY 29 1HA GLY 29 -20.253 -2.800 -3.477 242 H SER 30 H SER 30 -16.776 -2.738 -4.098 243 HA SER 30 HA SER 30 -16.404 -1.725 -1.375 244 HB2 SER 30 2HB SER 30 -15.154 -3.775 -1.947 245 HB3 SER 30 1HB SER 30 -14.363 -2.931 -3.282 246 HG SER 30 HG SER 30 -13.105 -1.927 -1.894 247 H ILE 31 H ILE 31 -14.757 -0.042 -1.156 248 HA ILE 31 HA ILE 31 -15.232 2.113 -2.910 249 HB ILE 31 HB ILE 31 -14.754 2.507 -0.541 250 HG12 ILE 31 2HG1 ILE 31 -12.553 3.665 -2.282 251 HG13 ILE 31 1HG1 ILE 31 -14.181 4.302 -2.119 252 HG21 ILE 31 1HG2 ILE 31 -13.271 0.673 -0.062 253 HG22 ILE 31 2HG2 ILE 31 -12.509 2.190 0.424 254 HG23 ILE 31 3HG2 ILE 31 -12.008 1.391 -1.066 255 HD11 ILE 31 3HD1 ILE 31 -13.761 4.791 0.231 256 HD12 ILE 31 1HD1 ILE 31 -12.592 5.590 -0.820 257 HD13 ILE 31 2HD1 ILE 31 -12.127 4.142 0.069 258 H VAL 32 H VAL 32 -13.997 2.945 -4.519 259 HA VAL 32 HA VAL 32 -12.359 1.153 -5.941 260 HB VAL 32 HB VAL 32 -12.752 4.131 -6.381 261 HG11 VAL 32 1HG1 VAL 32 -12.025 3.705 -8.692 262 HG12 VAL 32 2HG1 VAL 32 -11.673 2.031 -8.264 263 HG13 VAL 32 3HG1 VAL 32 -10.752 3.345 -7.523 264 HG21 VAL 32 3HG2 VAL 32 -14.145 1.770 -7.642 265 HG22 VAL 32 1HG2 VAL 32 -14.387 3.457 -8.085 266 HG23 VAL 32 2HG2 VAL 32 -14.856 2.890 -6.482 267 HA PRO 33 HA PRO 33 -8.696 1.973 -3.495 268 HB2 PRO 33 2HB PRO 33 -6.984 0.453 -5.026 269 HB3 PRO 33 1HB PRO 33 -8.035 -0.205 -3.767 270 HG2 PRO 33 2HG PRO 33 -8.434 -0.132 -6.725 271 HG3 PRO 33 1HG PRO 33 -8.802 -1.434 -5.578 272 HD2 PRO 33 2HD PRO 33 -10.702 0.175 -6.565 273 HD3 PRO 33 1HD PRO 33 -10.780 -0.448 -4.902 274 H GLN 34 H GLN 34 -8.959 2.389 -6.929 275 HA GLN 34 HA GLN 34 -6.582 3.806 -7.280 276 HB2 GLN 34 2HB GLN 34 -9.021 3.557 -8.976 277 HB3 GLN 34 1HB GLN 34 -7.798 4.757 -9.385 278 HG2 GLN 34 2HG GLN 34 -7.365 2.747 -10.624 279 HG3 GLN 34 1HG GLN 34 -6.106 2.976 -9.421 280 HE21 GLN 34 1HE2 GLN 34 -5.491 0.930 -9.300 281 HE22 GLN 34 2HE2 GLN 34 -6.437 -0.354 -8.661 282 H GLU 35 H GLU 35 -9.649 4.898 -6.098 283 HA GLU 35 HA GLU 35 -8.903 7.667 -6.419 284 HB2 GLU 35 2HB GLU 35 -11.293 6.911 -6.353 285 HB3 GLU 35 1HB GLU 35 -11.070 6.459 -4.670 286 HG2 GLU 35 2HG GLU 35 -12.199 8.593 -4.820 287 HG3 GLU 35 1HG GLU 35 -10.599 8.799 -4.115 288 H VAL 36 H VAL 36 -8.658 5.150 -4.075 289 HA VAL 36 HA VAL 36 -7.859 6.714 -1.847 290 HB VAL 36 HB VAL 36 -7.210 3.796 -2.395 291 HG11 VAL 36 1HG1 VAL 36 -5.872 4.729 -0.597 292 HG12 VAL 36 2HG1 VAL 36 -7.058 3.595 0.047 293 HG13 VAL 36 3HG1 VAL 36 -7.326 5.332 0.200 294 HG21 VAL 36 3HG2 VAL 36 -9.592 4.986 -0.973 295 HG22 VAL 36 1HG2 VAL 36 -9.207 3.266 -1.069 296 HG23 VAL 36 2HG2 VAL 36 -9.612 4.162 -2.533 297 H GLU 37 H GLU 37 -5.985 4.764 -4.179 298 HA GLU 37 HA GLU 37 -3.488 5.613 -3.202 299 HB2 GLU 37 2HB GLU 37 -2.541 4.684 -5.328 300 HB3 GLU 37 1HB GLU 37 -3.604 3.583 -4.463 301 HG2 GLU 37 2HG GLU 37 -4.618 3.245 -6.405 302 HG3 GLU 37 1HG GLU 37 -5.292 4.858 -6.185 303 H ALA 38 H ALA 38 -5.653 7.018 -5.495 304 HA ALA 38 HA ALA 38 -3.967 8.944 -6.628 305 HB1 ALA 38 1HB ALA 38 -6.906 9.220 -6.003 306 HB2 ALA 38 2HB ALA 38 -6.243 8.502 -7.467 307 HB3 ALA 38 3HB ALA 38 -5.994 10.217 -7.134 308 H LEU 39 H LEU 39 -5.840 8.959 -3.641 309 HA LEU 39 HA LEU 39 -5.069 11.634 -3.036 310 HB2 LEU 39 2HB LEU 39 -7.191 10.657 -2.203 311 HB3 LEU 39 1HB LEU 39 -6.265 9.564 -1.194 312 HG LEU 39 HG LEU 39 -5.393 11.467 0.097 313 HD11 LEU 39 1HD1 LEU 39 -5.418 13.176 -1.630 314 HD12 LEU 39 2HD1 LEU 39 -6.330 13.707 -0.218 315 HD13 LEU 39 3HD1 LEU 39 -7.184 13.145 -1.656 316 HD21 LEU 39 3HD2 LEU 39 -7.476 12.091 1.211 317 HD22 LEU 39 1HD2 LEU 39 -7.445 10.368 0.839 318 HD23 LEU 39 2HD2 LEU 39 -8.398 11.471 -0.156 319 H LEU 40 H LEU 40 -3.919 8.427 -2.120 320 HA LEU 40 HA LEU 40 -2.041 9.385 -0.227 321 HB2 LEU 40 2HB LEU 40 -2.240 6.783 -1.683 322 HB3 LEU 40 1HB LEU 40 -0.775 7.167 -0.815 323 HG LEU 40 HG LEU 40 -2.069 5.789 0.571 324 HD11 LEU 40 1HD1 LEU 40 -2.321 8.586 1.589 325 HD12 LEU 40 2HD1 LEU 40 -0.940 7.493 1.718 326 HD13 LEU 40 3HD1 LEU 40 -2.443 7.102 2.541 327 HD21 LEU 40 3HD2 LEU 40 -4.234 6.064 -0.472 328 HD22 LEU 40 1HD2 LEU 40 -4.375 7.680 0.214 329 HD23 LEU 40 2HD2 LEU 40 -4.347 6.267 1.276 330 H ARG 41 H ARG 41 -1.724 8.773 -3.685 331 HA ARG 41 HA ARG 41 1.036 9.435 -3.698 332 HB2 ARG 41 2HB ARG 41 0.898 9.480 -6.131 333 HB3 ARG 41 1HB ARG 41 -0.055 8.133 -5.553 334 HG2 ARG 41 2HG ARG 41 -2.086 9.546 -5.808 335 HG3 ARG 41 1HG ARG 41 -1.068 10.778 -6.550 336 HD2 ARG 41 2HD ARG 41 -0.381 9.093 -8.246 337 HD3 ARG 41 1HD ARG 41 -1.552 7.978 -7.542 338 HE ARG 41 HE ARG 41 -2.654 10.523 -8.287 339 HH11 ARG 41 1HH1 ARG 41 -2.197 7.139 -9.274 340 HH12 ARG 41 2HH1 ARG 41 -3.144 7.350 -10.693 341 HH21 ARG 41 1HH2 ARG 41 -4.001 10.677 -10.179 342 HH22 ARG 41 2HH2 ARG 41 -4.171 9.297 -11.189 343 H ARG 42 H ARG 42 -1.896 11.297 -3.769 344 HA ARG 42 HA ARG 42 -0.690 13.748 -4.532 345 HB2 ARG 42 2HB ARG 42 -3.138 13.386 -4.667 346 HB3 ARG 42 1HB ARG 42 -3.210 13.287 -2.912 347 HG2 ARG 42 2HG ARG 42 -2.462 15.585 -2.728 348 HG3 ARG 42 1HG ARG 42 -2.321 15.693 -4.480 349 HD2 ARG 42 2HD ARG 42 -4.730 15.277 -4.683 350 HD3 ARG 42 1HD ARG 42 -4.857 15.217 -2.922 351 HE ARG 42 HE ARG 42 -3.666 17.571 -3.365 352 HH11 ARG 42 1HH1 ARG 42 -6.663 16.141 -4.632 353 HH12 ARG 42 2HH1 ARG 42 -7.452 17.633 -4.846 354 HH21 ARG 42 1HH2 ARG 42 -4.773 19.640 -3.691 355 HH22 ARG 42 2HH2 ARG 42 -6.363 19.629 -4.317 356 H GLU 43 H GLU 43 -1.369 12.179 -1.441 357 HA GLU 43 HA GLU 43 -0.378 14.172 0.259 358 HB2 GLU 43 2HB GLU 43 -0.661 11.205 0.529 359 HB3 GLU 43 1HB GLU 43 0.173 12.126 1.770 360 HG2 GLU 43 2HG GLU 43 -2.649 12.593 0.849 361 HG3 GLU 43 1HG GLU 43 -2.166 11.751 2.327 362 H ALA 44 H ALA 44 1.199 11.462 -1.294 363 HA ALA 44 HA ALA 44 3.745 11.820 -0.254 364 HB1 ALA 44 1HB ALA 44 2.953 10.766 -2.962 365 HB2 ALA 44 2HB ALA 44 3.049 9.824 -1.481 366 HB3 ALA 44 3HB ALA 44 4.518 10.513 -2.189 367 H ALA 45 H ALA 45 2.279 13.125 -3.199 368 HA ALA 45 HA ALA 45 4.544 14.571 -4.076 369 HB1 ALA 45 1HB ALA 45 1.640 15.060 -4.730 370 HB2 ALA 45 2HB ALA 45 2.697 13.931 -5.570 371 HB3 ALA 45 3HB ALA 45 3.028 15.661 -5.637 372 H ASP 46 H ASP 46 1.925 15.362 -1.925 373 HA ASP 46 HA ASP 46 2.419 18.202 -1.903 374 HB2 ASP 46 2HB ASP 46 0.190 17.124 -1.423 375 HB3 ASP 46 1HB ASP 46 0.858 16.569 0.104 376 H GLY 47 H GLY 47 3.411 15.434 -0.047 377 HA2 GLY 47 2HA GLY 47 4.592 17.087 2.030 378 HA3 GLY 47 1HA GLY 47 4.449 15.334 2.031 379 H ILE 48 H ILE 48 5.617 16.647 -0.847 380 HA ILE 48 HA ILE 48 8.107 15.403 -0.672 381 HB ILE 48 HB ILE 48 6.886 17.383 -2.559 382 HG12 ILE 48 2HG1 ILE 48 6.141 15.113 -2.744 383 HG13 ILE 48 1HG1 ILE 48 7.100 15.524 -4.163 384 HG21 ILE 48 1HG2 ILE 48 9.195 18.035 -2.508 385 HG22 ILE 48 2HG2 ILE 48 8.793 17.256 -4.042 386 HG23 ILE 48 3HG2 ILE 48 9.696 16.365 -2.803 387 HD11 ILE 48 3HD1 ILE 48 7.946 13.824 -1.813 388 HD12 ILE 48 1HD1 ILE 48 9.023 14.352 -3.114 389 HD13 ILE 48 2HD1 ILE 48 7.646 13.319 -3.470 390 H GLN 49 H GLN 49 9.998 15.989 -0.015 391 HA GLN 49 HA GLN 49 10.365 18.743 0.883 392 HB2 GLN 49 2HB GLN 49 11.390 16.170 2.056 393 HB3 GLN 49 1HB GLN 49 12.042 17.748 2.488 394 HG2 GLN 49 2HG GLN 49 9.974 18.448 3.308 395 HG3 GLN 49 1HG GLN 49 9.160 16.986 2.748 396 HE21 GLN 49 1HE2 GLN 49 8.473 16.382 4.746 397 HE22 GLN 49 2HE2 GLN 49 9.507 15.843 6.014 398 H SER 50 H SER 50 12.247 19.668 0.467 399 HA SER 50 HA SER 50 13.518 18.831 -1.936 400 HB2 SER 50 2HB SER 50 14.179 21.089 -0.030 401 HB3 SER 50 1HB SER 50 14.857 20.892 -1.645 402 HG SER 50 HG SER 50 12.841 21.106 -2.511 403 H LEU 51 H LEU 51 14.980 17.381 -2.046 404 HA LEU 51 HA LEU 51 16.857 17.016 0.165 405 HB2 LEU 51 2HB LEU 51 15.060 15.239 -0.110 406 HB3 LEU 51 1HB LEU 51 15.745 14.886 -1.676 407 HG LEU 51 HG LEU 51 17.860 14.182 -0.547 408 HD11 LEU 51 1HD1 LEU 51 17.836 13.781 1.855 409 HD12 LEU 51 2HD1 LEU 51 16.261 14.563 1.974 410 HD13 LEU 51 3HD1 LEU 51 17.676 15.498 1.488 411 HD21 LEU 51 3HD2 LEU 51 15.336 12.797 0.321 412 HD22 LEU 51 1HD2 LEU 51 16.955 12.092 0.347 413 HD23 LEU 51 2HD2 LEU 51 16.216 12.547 -1.184 414 H GLN 52 H GLN 52 18.682 15.515 -0.956 415 HA GLN 52 HA GLN 52 20.190 17.102 -2.634 416 HB2 GLN 52 2HB GLN 52 20.394 14.133 -2.172 417 HB3 GLN 52 1HB GLN 52 21.641 15.168 -2.868 418 HG2 GLN 52 2HG GLN 52 21.811 16.419 -0.800 419 HG3 GLN 52 1HG GLN 52 20.525 15.454 -0.087 420 HE21 GLN 52 1HE2 GLN 52 21.847 14.771 1.581 421 HE22 GLN 52 2HE2 GLN 52 23.115 13.627 1.353 422 H GLY 53 H GLY 53 21.174 16.471 -4.668 423 HA2 GLY 53 2HA GLY 53 19.261 16.893 -6.659 424 HA3 GLY 53 1HA GLY 53 20.964 16.581 -6.909 425 H ASN 54 H ASN 54 20.171 13.993 -5.313 426 HA ASN 54 HA ASN 54 19.894 12.497 -7.711 427 HB2 ASN 54 2HB ASN 54 20.150 11.663 -4.860 428 HB3 ASN 54 1HB ASN 54 19.572 10.500 -6.047 429 HD21 ASN 54 1HD2 ASN 54 22.052 10.504 -4.520 430 HD22 ASN 54 2HD2 ASN 54 23.318 10.452 -5.682 431 H ARG 55 H ARG 55 17.746 13.259 -5.007 432 HA ARG 55 HA ARG 55 15.463 13.185 -6.545 433 HB2 ARG 55 2HB ARG 55 14.322 11.153 -5.575 434 HB3 ARG 55 1HB ARG 55 15.564 10.847 -6.776 435 HG2 ARG 55 2HG ARG 55 17.126 10.327 -5.032 436 HG3 ARG 55 1HG ARG 55 15.898 10.629 -3.812 437 HD2 ARG 55 2HD ARG 55 16.040 8.215 -4.250 438 HD3 ARG 55 1HD ARG 55 14.471 8.865 -4.701 439 HE ARG 55 HE ARG 55 16.297 8.763 -6.903 440 HH11 ARG 55 1HH1 ARG 55 13.862 6.904 -5.093 441 HH12 ARG 55 2HH1 ARG 55 13.729 5.665 -6.237 442 HH21 ARG 55 1HH2 ARG 55 16.054 7.141 -8.510 443 HH22 ARG 55 2HH2 ARG 55 15.004 5.813 -8.282 444 H LEU 56 H LEU 56 13.434 13.100 -5.197 445 HA LEU 56 HA LEU 56 13.795 14.955 -2.943 446 HB2 LEU 56 2HB LEU 56 11.339 14.155 -4.493 447 HB3 LEU 56 1HB LEU 56 11.451 15.431 -3.299 448 HG LEU 56 HG LEU 56 12.945 15.422 -5.920 449 HD11 LEU 56 1HD1 LEU 56 10.535 15.637 -6.265 450 HD12 LEU 56 2HD1 LEU 56 11.388 17.132 -6.636 451 HD13 LEU 56 3HD1 LEU 56 10.497 16.982 -5.123 452 HD21 LEU 56 3HD2 LEU 56 13.389 17.778 -5.377 453 HD22 LEU 56 1HD2 LEU 56 14.096 16.680 -4.191 454 HD23 LEU 56 2HD2 LEU 56 12.611 17.554 -3.811 455 H LEU 57 H LEU 57 12.672 14.760 -1.032 456 HA LEU 57 HA LEU 57 12.489 12.003 -0.112 457 HB2 LEU 57 2HB LEU 57 13.784 14.004 1.038 458 HB3 LEU 57 1HB LEU 57 12.201 14.486 1.567 459 HG LEU 57 HG LEU 57 13.499 13.315 3.299 460 HD11 LEU 57 1HD1 LEU 57 11.776 11.798 4.060 461 HD12 LEU 57 2HD1 LEU 57 11.016 11.861 2.470 462 HD13 LEU 57 3HD1 LEU 57 11.104 13.317 3.465 463 HD21 LEU 57 3HD2 LEU 57 13.771 10.869 3.143 464 HD22 LEU 57 1HD2 LEU 57 14.746 11.755 1.972 465 HD23 LEU 57 2HD2 LEU 57 13.270 10.949 1.453 466 H ALA 58 H ALA 58 10.584 11.088 0.368 467 HA ALA 58 HA ALA 58 8.129 12.704 0.257 468 HB1 ALA 58 1HB ALA 58 7.058 10.729 -0.786 469 HB2 ALA 58 2HB ALA 58 8.613 9.892 -0.771 470 HB3 ALA 58 3HB ALA 58 8.399 11.338 -1.754 471 HA PRO 59 HA PRO 59 6.835 10.955 4.222 472 HB2 PRO 59 2HB PRO 59 4.349 10.038 2.876 473 HB3 PRO 59 1HB PRO 59 4.544 11.039 4.321 474 HG2 PRO 59 2HG PRO 59 3.810 12.156 2.040 475 HG3 PRO 59 1HG PRO 59 4.999 12.960 3.081 476 HD2 PRO 59 2HD PRO 59 5.460 11.376 0.578 477 HD3 PRO 59 1HD PRO 59 6.205 12.899 1.104 478 H ASN 60 H ASN 60 6.306 9.047 5.345 479 HA ASN 60 HA ASN 60 6.653 6.564 3.836 480 HB2 ASN 60 2HB ASN 60 8.091 5.677 5.736 481 HB3 ASN 60 1HB ASN 60 8.844 6.864 4.686 482 HD21 ASN 60 1HD2 ASN 60 10.367 7.242 6.358 483 HD22 ASN 60 2HD2 ASN 60 9.983 8.188 7.735 484 H GLU 61 H GLU 61 5.426 8.161 6.649 485 HA GLU 61 HA GLU 61 3.996 5.810 7.582 486 HB2 GLU 61 2HB GLU 61 5.210 7.322 9.162 487 HB3 GLU 61 1HB GLU 61 4.202 8.647 8.625 488 HG2 GLU 61 2HG GLU 61 3.376 7.933 10.723 489 HG3 GLU 61 1HG GLU 61 2.228 7.398 9.506 490 H TYR 62 H TYR 62 2.203 5.505 6.366 491 HA TYR 62 HA TYR 62 0.651 7.890 5.651 492 HB2 TYR 62 2HB TYR 62 0.838 5.232 4.270 493 HB3 TYR 62 1HB TYR 62 -0.356 6.457 3.854 494 HD1 TYR 62 1HD TYR 62 0.346 8.551 2.782 495 HD2 TYR 62 2HD TYR 62 3.159 5.476 3.628 496 HE1 TYR 62 1HE TYR 62 1.936 9.598 1.244 497 HE2 TYR 62 2HE TYR 62 4.765 6.526 2.094 498 HH TYR 62 HH TYR 62 4.865 8.044 0.294 499 H ILE 63 H ILE 63 -1.044 8.169 6.740 500 HA ILE 63 HA ILE 63 -2.299 5.905 8.105 501 HB ILE 63 HB ILE 63 -2.372 8.869 8.733 502 HG12 ILE 63 2HG1 ILE 63 -1.052 6.560 10.188 503 HG13 ILE 63 1HG1 ILE 63 -0.223 7.799 9.259 504 HG21 ILE 63 1HG2 ILE 63 -3.560 8.209 10.774 505 HG22 ILE 63 2HG2 ILE 63 -3.642 6.551 10.179 506 HG23 ILE 63 3HG2 ILE 63 -4.484 7.840 9.319 507 HD11 ILE 63 3HD1 ILE 63 -1.793 8.228 11.793 508 HD12 ILE 63 1HD1 ILE 63 -0.994 9.493 10.858 509 HD13 ILE 63 2HD1 ILE 63 -0.034 8.234 11.628 510 H ILE 64 H ILE 64 -4.068 5.211 7.108 511 HA ILE 64 HA ILE 64 -5.707 7.174 5.676 512 HB ILE 64 HB ILE 64 -5.646 4.174 5.157 513 HG12 ILE 64 2HG1 ILE 64 -4.660 4.892 2.875 514 HG13 ILE 64 1HG1 ILE 64 -4.240 6.401 3.669 515 HG21 ILE 64 1HG2 ILE 64 -6.942 6.421 3.625 516 HG22 ILE 64 2HG2 ILE 64 -7.754 5.211 4.616 517 HG23 ILE 64 3HG2 ILE 64 -6.924 4.724 3.137 518 HD11 ILE 64 3HD1 ILE 64 -2.341 4.896 3.570 519 HD12 ILE 64 1HD1 ILE 64 -3.257 3.653 4.423 520 HD13 ILE 64 2HD1 ILE 64 -2.827 5.152 5.244 521 H THR 65 H THR 65 -7.671 7.506 6.468 522 HA THR 65 HA THR 65 -8.731 5.595 8.421 523 HB THR 65 HB THR 65 -9.444 8.529 8.113 524 HG1 THR 65 1HG THR 65 -7.375 7.229 9.336 525 HG21 THR 65 3HG2 THR 65 -11.181 7.134 9.238 526 HG22 THR 65 1HG2 THR 65 -10.437 8.248 10.375 527 HG23 THR 65 2HG2 THR 65 -9.988 6.552 10.379 528 H LEU 66 H LEU 66 -10.475 4.546 7.810 529 HA LEU 66 HA LEU 66 -12.140 5.581 5.618 530 HB2 LEU 66 2HB LEU 66 -11.094 2.887 6.218 531 HB3 LEU 66 1HB LEU 66 -12.791 2.938 5.816 532 HG LEU 66 HG LEU 66 -11.456 2.390 3.872 533 HD11 LEU 66 1HD1 LEU 66 -12.704 5.101 3.701 534 HD12 LEU 66 2HD1 LEU 66 -13.493 3.539 3.473 535 HD13 LEU 66 3HD1 LEU 66 -12.265 4.086 2.328 536 HD21 LEU 66 3HD2 LEU 66 -9.924 4.022 2.878 537 HD22 LEU 66 1HD2 LEU 66 -9.375 3.486 4.466 538 HD23 LEU 66 2HD2 LEU 66 -10.137 5.063 4.290 539 H GLY 67 H GLY 67 -14.410 5.089 5.829 540 HA2 GLY 67 2HA GLY 67 -15.465 5.380 8.425 541 HA3 GLY 67 1HA GLY 67 -16.373 4.876 6.992 542 H VAL 68 H VAL 68 -16.337 3.831 9.796 543 HA VAL 68 HA VAL 68 -14.955 1.456 9.990 544 HB VAL 68 HB VAL 68 -16.027 2.475 11.894 545 HG11 VAL 68 1HG1 VAL 68 -18.442 2.249 12.333 546 HG12 VAL 68 2HG1 VAL 68 -18.639 1.622 10.694 547 HG13 VAL 68 3HG1 VAL 68 -18.079 3.272 10.942 548 HG21 VAL 68 3HG2 VAL 68 -15.462 0.137 12.126 549 HG22 VAL 68 1HG2 VAL 68 -17.018 -0.336 11.438 550 HG23 VAL 68 2HG2 VAL 68 -16.959 0.467 13.006 551 H HIS 69 H HIS 69 -18.027 1.925 8.420 552 HA HIS 69 HA HIS 69 -18.501 -0.840 7.954 553 HB2 HIS 69 2HB HIS 69 -20.309 0.851 7.951 554 HB3 HIS 69 1HB HIS 69 -19.641 1.548 6.488 555 HD1 HIS 69 1HD HIS 69 -20.494 -2.093 7.336 556 HD2 HIS 69 2HD HIS 69 -21.312 0.862 4.526 557 HE1 HIS 69 1HE HIS 69 -22.042 -3.137 5.640 558 H ASP 70 H ASP 70 -16.497 1.479 6.355 559 HA ASP 70 HA ASP 70 -16.234 -0.204 4.017 560 HB2 ASP 70 2HB ASP 70 -15.030 2.455 4.715 561 HB3 ASP 70 1HB ASP 70 -14.374 1.483 3.397 562 H PHE 71 H PHE 71 -14.526 0.645 6.905 563 HA PHE 71 HA PHE 71 -12.172 -0.714 6.356 564 HB2 PHE 71 2HB PHE 71 -12.509 0.906 8.195 565 HB3 PHE 71 1HB PHE 71 -13.522 -0.271 9.030 566 HD1 PHE 71 2HD PHE 71 -10.148 0.480 7.863 567 HD2 PHE 71 1HD PHE 71 -12.554 -2.037 10.261 568 HE1 PHE 71 2HE PHE 71 -8.104 -0.463 8.894 569 HE2 PHE 71 1HE PHE 71 -10.532 -3.002 11.310 570 HZ PHE 71 HZ PHE 71 -8.303 -2.209 10.616 571 H GLU 72 H GLU 72 -15.351 -1.798 7.277 572 HA GLU 72 HA GLU 72 -14.781 -4.357 8.139 573 HB2 GLU 72 2HB GLU 72 -17.119 -3.370 6.532 574 HB3 GLU 72 1HB GLU 72 -17.002 -4.971 7.246 575 HG2 GLU 72 2HG GLU 72 -16.726 -3.831 9.470 576 HG3 GLU 72 1HG GLU 72 -17.131 -2.324 8.661 577 H LYS 73 H LYS 73 -14.807 -3.101 4.836 578 HA LYS 73 HA LYS 73 -14.485 -5.759 3.775 579 HB2 LYS 73 2HB LYS 73 -14.396 -3.052 2.423 580 HB3 LYS 73 1HB LYS 73 -13.968 -4.526 1.586 581 HG2 LYS 73 2HG LYS 73 -16.172 -4.226 0.945 582 HG3 LYS 73 1HG LYS 73 -16.328 -5.344 2.291 583 HD2 LYS 73 2HD LYS 73 -18.039 -3.669 2.489 584 HD3 LYS 73 1HD LYS 73 -16.850 -3.380 3.758 585 HE2 LYS 73 2HE LYS 73 -15.858 -1.577 2.488 586 HE3 LYS 73 1HE LYS 73 -16.873 -1.952 1.102 587 HZ1 LYS 73 3HZ LYS 73 -17.957 -1.077 3.722 588 HZ2 LYS 73 1HZ LYS 73 -18.777 -1.216 2.247 589 HZ3 LYS 73 2HZ LYS 73 -17.603 -0.025 2.426 590 H LEU 74 H LEU 74 -12.518 -3.048 4.627 591 HA LEU 74 HA LEU 74 -10.092 -3.989 3.431 592 HB2 LEU 74 2HB LEU 74 -10.412 -2.181 5.827 593 HB3 LEU 74 1HB LEU 74 -8.946 -2.398 4.898 594 HG LEU 74 HG LEU 74 -11.496 -1.086 3.958 595 HD11 LEU 74 1HD1 LEU 74 -10.083 0.909 3.827 596 HD12 LEU 74 2HD1 LEU 74 -8.765 -0.002 4.572 597 HD13 LEU 74 3HD1 LEU 74 -10.254 0.293 5.471 598 HD21 LEU 74 3HD2 LEU 74 -10.458 -2.290 2.106 599 HD22 LEU 74 1HD2 LEU 74 -8.900 -1.546 2.476 600 HD23 LEU 74 2HD2 LEU 74 -10.241 -0.552 1.910 601 H GLY 75 H GLY 75 -11.648 -4.452 6.489 602 HA2 GLY 75 2HA GLY 75 -9.479 -5.717 7.799 603 HA3 GLY 75 1HA GLY 75 -11.137 -5.603 8.368 604 H ALA 76 H ALA 76 -11.187 -6.895 5.304 605 HA ALA 76 HA ALA 76 -11.858 -9.511 6.113 606 HB1 ALA 76 1HB ALA 76 -11.613 -10.101 3.729 607 HB2 ALA 76 2HB ALA 76 -10.835 -8.545 3.431 608 HB3 ALA 76 3HB ALA 76 -12.524 -8.604 3.930 609 H ASP 77 H ASP 77 -8.932 -8.006 4.941 610 HA ASP 77 HA ASP 77 -7.286 -9.848 6.445 611 HB2 ASP 77 2HB ASP 77 -6.675 -9.247 3.516 612 HB3 ASP 77 1HB ASP 77 -5.659 -10.148 4.625 613 HA PRO 78 HA PRO 78 -6.599 -5.291 6.873 614 HB2 PRO 78 2HB PRO 78 -5.281 -6.236 9.354 615 HB3 PRO 78 1HB PRO 78 -6.486 -4.964 9.139 616 HG2 PRO 78 2HG PRO 78 -7.091 -7.345 10.235 617 HG3 PRO 78 1HG PRO 78 -8.251 -6.443 9.255 618 HD2 PRO 78 2HD PRO 78 -6.673 -8.868 8.568 619 HD3 PRO 78 1HD PRO 78 -8.274 -8.361 8.008 620 H GLU 79 H GLU 79 -4.339 -7.802 7.823 621 HA GLU 79 HA GLU 79 -2.016 -6.239 7.529 622 HB2 GLU 79 2HB GLU 79 -2.258 -8.232 8.960 623 HB3 GLU 79 1HB GLU 79 -2.304 -9.234 7.521 624 HG2 GLU 79 2HG GLU 79 -0.037 -8.499 6.972 625 HG3 GLU 79 1HG GLU 79 -0.008 -7.546 8.459 626 H LEU 80 H LEU 80 -3.537 -8.692 5.429 627 HA LEU 80 HA LEU 80 -1.588 -8.712 3.401 628 HB2 LEU 80 2HB LEU 80 -3.567 -10.343 3.737 629 HB3 LEU 80 1HB LEU 80 -4.552 -9.126 2.983 630 HG LEU 80 HG LEU 80 -2.241 -10.496 1.594 631 HD11 LEU 80 1HD1 LEU 80 -3.929 -12.129 2.199 632 HD12 LEU 80 2HD1 LEU 80 -3.953 -11.836 0.459 633 HD13 LEU 80 3HD1 LEU 80 -5.188 -11.117 1.491 634 HD21 LEU 80 3HD2 LEU 80 -3.293 -9.698 -0.465 635 HD22 LEU 80 1HD2 LEU 80 -2.894 -8.345 0.596 636 HD23 LEU 80 2HD2 LEU 80 -4.562 -8.912 0.477 637 H LYS 81 H LYS 81 -4.659 -6.926 3.613 638 HA LYS 81 HA LYS 81 -4.311 -5.543 1.215 639 HB2 LYS 81 2HB LYS 81 -6.110 -5.153 3.577 640 HB3 LYS 81 1HB LYS 81 -5.998 -3.877 2.388 641 HG2 LYS 81 2HG LYS 81 -7.944 -5.327 1.983 642 HG3 LYS 81 1HG LYS 81 -6.813 -5.382 0.642 643 HD2 LYS 81 2HD LYS 81 -6.008 -7.580 1.397 644 HD3 LYS 81 1HD LYS 81 -7.056 -7.468 2.814 645 HE2 LYS 81 2HE LYS 81 -9.035 -7.517 1.436 646 HE3 LYS 81 1HE LYS 81 -8.076 -7.454 -0.036 647 HZ1 LYS 81 3HZ LYS 81 -8.117 -9.798 1.877 648 HZ2 LYS 81 1HZ LYS 81 -7.266 -9.701 0.427 649 HZ3 LYS 81 2HZ LYS 81 -8.931 -9.691 0.445 650 H SER 82 H SER 82 -3.349 -4.638 4.523 651 HA SER 82 HA SER 82 -2.471 -2.059 3.795 652 HB2 SER 82 2HB SER 82 -1.540 -3.780 6.113 653 HB3 SER 82 1HB SER 82 -1.280 -2.044 5.954 654 HG SER 82 HG SER 82 -3.681 -3.464 6.331 655 H THR 83 H THR 83 -0.746 -5.181 4.026 656 HA THR 83 HA THR 83 1.813 -4.181 3.520 657 HB THR 83 HB THR 83 0.707 -6.944 2.918 658 HG1 THR 83 1HG THR 83 0.423 -6.559 5.075 659 HG21 THR 83 3HG2 THR 83 2.885 -6.516 1.859 660 HG22 THR 83 1HG2 THR 83 3.036 -7.681 3.178 661 HG23 THR 83 2HG2 THR 83 3.536 -6.007 3.422 662 H GLY 84 H GLY 84 -0.686 -5.450 1.325 663 HA2 GLY 84 2HA GLY 84 0.864 -5.320 -1.023 664 HA3 GLY 84 1HA GLY 84 -0.899 -5.348 -0.954 665 H PHE 85 H PHE 85 -1.417 -3.025 0.403 666 HA PHE 85 HA PHE 85 -1.234 -1.141 -1.679 667 HB2 PHE 85 2HB PHE 85 -3.056 -1.325 0.078 668 HB3 PHE 85 1HB PHE 85 -1.938 -0.569 1.202 669 HD1 PHE 85 1HD PHE 85 -3.784 -0.068 -1.959 670 HD2 PHE 85 2HD PHE 85 -1.671 1.789 1.236 671 HE1 PHE 85 1HE PHE 85 -4.552 2.144 -2.726 672 HE2 PHE 85 2HE PHE 85 -2.425 3.964 0.474 673 HZ PHE 85 HZ PHE 85 -3.869 4.161 -1.513 674 H ALA 86 H ALA 86 0.610 -1.603 1.308 675 HA ALA 86 HA ALA 86 2.073 0.802 1.225 676 HB1 ALA 86 1HB ALA 86 3.028 -1.848 2.331 677 HB2 ALA 86 2HB ALA 86 2.024 -0.701 3.212 678 HB3 ALA 86 3HB ALA 86 3.656 -0.248 2.735 679 H ARG 87 H ARG 87 2.789 -2.418 -0.113 680 HA ARG 87 HA ARG 87 5.290 -1.751 -1.161 681 HB2 ARG 87 2HB ARG 87 3.308 -3.883 -1.920 682 HB3 ARG 87 1HB ARG 87 4.926 -3.756 -2.584 683 HG2 ARG 87 2HG ARG 87 5.876 -4.059 -0.362 684 HG3 ARG 87 1HG ARG 87 4.254 -4.160 0.320 685 HD2 ARG 87 2HD ARG 87 3.804 -6.140 -1.038 686 HD3 ARG 87 1HD ARG 87 5.424 -6.036 -1.727 687 HE ARG 87 HE ARG 87 5.714 -6.093 1.009 688 HH11 ARG 87 1HH1 ARG 87 4.527 -8.281 -1.537 689 HH12 ARG 87 2HH1 ARG 87 4.836 -9.706 -0.682 690 HH21 ARG 87 1HH2 ARG 87 6.170 -8.098 2.202 691 HH22 ARG 87 2HH2 ARG 87 5.786 -9.604 1.508 692 H ASP 88 H ASP 88 2.055 -1.760 -2.582 693 HA ASP 88 HA ASP 88 2.990 -0.976 -5.130 694 HB2 ASP 88 2HB ASP 88 0.215 -0.962 -3.964 695 HB3 ASP 88 1HB ASP 88 0.542 -0.343 -5.577 696 H LEU 89 H LEU 89 1.955 0.900 -2.371 697 HA LEU 89 HA LEU 89 1.963 3.373 -3.795 698 HB2 LEU 89 2HB LEU 89 0.719 3.068 -1.686 699 HB3 LEU 89 1HB LEU 89 2.232 2.854 -0.830 700 HG LEU 89 HG LEU 89 2.847 5.185 -1.349 701 HD11 LEU 89 1HD1 LEU 89 1.625 5.479 -3.423 702 HD12 LEU 89 2HD1 LEU 89 1.167 6.716 -2.256 703 HD13 LEU 89 3HD1 LEU 89 0.091 5.353 -2.561 704 HD21 LEU 89 3HD2 LEU 89 1.717 4.655 0.743 705 HD22 LEU 89 1HD2 LEU 89 0.152 4.864 -0.043 706 HD23 LEU 89 2HD2 LEU 89 1.236 6.243 0.151 707 H ALA 90 H ALA 90 4.352 1.554 -1.984 708 HA ALA 90 HA ALA 90 6.378 3.512 -1.998 709 HB1 ALA 90 1HB ALA 90 6.658 0.506 -1.978 710 HB2 ALA 90 2HB ALA 90 6.420 1.521 -0.561 711 HB3 ALA 90 3HB ALA 90 7.899 1.673 -1.512 712 H ASP 91 H ASP 91 5.371 1.068 -4.199 713 HA ASP 91 HA ASP 91 7.481 1.245 -6.083 714 HB2 ASP 91 2HB ASP 91 5.791 -0.623 -5.902 715 HB3 ASP 91 1HB ASP 91 4.607 0.458 -6.619 716 H TYR 92 H TYR 92 4.378 2.848 -5.738 717 HA TYR 92 HA TYR 92 4.392 4.419 -8.043 718 HB2 TYR 92 2HB TYR 92 2.967 4.470 -5.498 719 HB3 TYR 92 1HB TYR 92 3.207 6.066 -6.189 720 HD1 TYR 92 1HD TYR 92 2.507 6.387 -8.635 721 HD2 TYR 92 2HD TYR 92 1.197 3.137 -6.227 722 HE1 TYR 92 1HE TYR 92 0.573 6.095 -10.104 723 HE2 TYR 92 2HE TYR 92 -0.735 2.814 -7.709 724 HH TYR 92 HH TYR 92 -2.067 4.123 -9.278 725 H ILE 93 H ILE 93 5.670 5.198 -4.801 726 HA ILE 93 HA ILE 93 6.525 7.763 -5.644 727 HB ILE 93 HB ILE 93 7.793 7.987 -3.567 728 HG12 ILE 93 2HG1 ILE 93 7.125 5.080 -3.035 729 HG13 ILE 93 1HG1 ILE 93 8.709 5.672 -3.493 730 HG21 ILE 93 1HG2 ILE 93 5.132 6.645 -3.119 731 HG22 ILE 93 2HG2 ILE 93 5.394 8.350 -3.472 732 HG23 ILE 93 3HG2 ILE 93 5.975 7.665 -1.951 733 HD11 ILE 93 3HD1 ILE 93 7.237 6.397 -0.968 734 HD12 ILE 93 1HD1 ILE 93 8.831 6.987 -1.440 735 HD13 ILE 93 2HD1 ILE 93 8.591 5.273 -1.100 736 H GLN 94 H GLN 94 8.042 4.637 -5.744 737 HA GLN 94 HA GLN 94 10.630 5.521 -6.394 738 HB2 GLN 94 2HB GLN 94 9.178 2.975 -7.056 739 HB3 GLN 94 1HB GLN 94 10.834 3.268 -7.563 740 HG2 GLN 94 2HG GLN 94 9.813 3.155 -4.723 741 HG3 GLN 94 1HG GLN 94 10.762 1.913 -5.538 742 HE21 GLN 94 1HE2 GLN 94 11.413 3.287 -3.104 743 HE22 GLN 94 2HE2 GLN 94 12.899 4.108 -3.366 744 H GLU 95 H GLU 95 7.800 4.780 -8.429 745 HA GLU 95 HA GLU 95 8.982 5.226 -10.882 746 HB2 GLU 95 2HB GLU 95 6.194 5.457 -9.878 747 HB3 GLU 95 1HB GLU 95 6.533 5.916 -11.520 748 HG2 GLU 95 2HG GLU 95 7.603 3.539 -11.655 749 HG3 GLU 95 1HG GLU 95 6.628 3.247 -10.209 750 H GLN 96 H GLN 96 7.728 7.448 -8.547 751 HA GLN 96 HA GLN 96 7.740 9.716 -10.333 752 HB2 GLN 96 2HB GLN 96 7.524 9.654 -7.349 753 HB3 GLN 96 1HB GLN 96 7.089 10.997 -8.380 754 HG2 GLN 96 2HG GLN 96 5.737 8.317 -8.116 755 HG3 GLN 96 1HG GLN 96 5.083 9.900 -7.707 756 HE21 GLN 96 1HE2 GLN 96 4.183 7.723 -9.484 757 HE22 GLN 96 2HE2 GLN 96 3.877 8.469 -11.010 758 H GLY 97 H GLY 97 10.063 8.100 -8.535 759 HA2 GLY 97 2HA GLY 97 12.337 8.537 -8.485 760 HA3 GLY 97 1HA GLY 97 12.013 10.145 -9.124 761 H TRP 98 H TRP 98 10.388 8.830 -6.310 762 HA TRP 98 HA TRP 98 11.854 10.788 -4.689 763 HB2 TRP 98 2HB TRP 98 9.188 9.483 -4.114 764 HB3 TRP 98 1HB TRP 98 9.955 10.760 -3.179 765 HD1 TRP 98 HD TRP 98 10.725 12.599 -5.770 766 HE1 TRP 98 1HE TRP 98 8.849 13.902 -6.925 767 HE3 TRP 98 3HE TRP 98 6.725 9.918 -4.078 768 HZ2 TRP 98 2HZ TRP 98 6.032 13.830 -7.089 769 HZ3 TRP 98 3HZ TRP 98 4.471 10.605 -4.776 770 HH2 TRP 98 HH TRP 98 4.132 12.517 -6.248 771 H GLN 99 H GLN 99 11.915 10.050 -2.285 772 HA GLN 99 HA GLN 99 12.015 7.209 -1.817 773 HB2 GLN 99 2HB GLN 99 14.325 7.160 -1.051 774 HB3 GLN 99 1HB GLN 99 14.292 7.670 -2.730 775 HG2 GLN 99 2HG GLN 99 14.636 9.968 -2.065 776 HG3 GLN 99 1HG GLN 99 14.554 9.512 -0.365 777 HE21 GLN 99 1HE2 GLN 99 16.698 10.785 -1.838 778 HE22 GLN 99 2HE2 GLN 99 18.065 9.752 -1.672 779 H THR 100 H THR 100 12.786 6.948 0.604 780 HA THR 100 HA THR 100 12.204 9.312 2.148 781 HB THR 100 HB THR 100 9.998 8.198 1.702 782 HG1 THR 100 1HG THR 100 9.731 9.188 3.450 783 HG21 THR 100 3HG2 THR 100 11.158 5.925 3.341 784 HG22 THR 100 1HG2 THR 100 10.765 5.856 1.623 785 HG23 THR 100 2HG2 THR 100 9.481 6.059 2.810 786 H TYR 101 H TYR 101 12.389 8.534 4.590 787 HA TYR 101 HA TYR 101 14.778 6.835 4.719 788 HB2 TYR 101 2HB TYR 101 13.629 8.779 6.753 789 HB3 TYR 101 1HB TYR 101 14.997 7.724 7.068 790 HD1 TYR 101 1HD TYR 101 17.034 7.972 5.498 791 HD2 TYR 101 2HD TYR 101 13.982 10.916 5.878 792 HE1 TYR 101 1HE TYR 101 18.568 9.667 4.608 793 HE2 TYR 101 2HE TYR 101 15.512 12.620 4.978 794 HH TYR 101 HH TYR 101 18.375 11.777 3.436 795 H GLY 102 H GLY 102 14.436 4.816 5.286 796 HA2 GLY 102 2HA GLY 102 13.578 3.276 6.936 797 HA3 GLY 102 1HA GLY 102 12.121 4.273 7.011 798 H ASP 103 H ASP 103 10.795 2.555 6.447 799 HA ASP 103 HA ASP 103 10.828 2.007 3.577 800 HB2 ASP 103 2HB ASP 103 11.639 0.010 4.933 801 HB3 ASP 103 1HB ASP 103 10.047 -0.030 5.678 802 H VAL 104 H VAL 104 8.752 1.905 2.700 803 HA VAL 104 HA VAL 104 6.916 3.666 3.936 804 HB VAL 104 HB VAL 104 6.544 1.936 1.479 805 HG11 VAL 104 1HG1 VAL 104 4.929 4.320 2.407 806 HG12 VAL 104 2HG1 VAL 104 4.377 2.648 2.376 807 HG13 VAL 104 3HG1 VAL 104 4.733 3.486 0.866 808 HG21 VAL 104 3HG2 VAL 104 7.055 3.991 0.241 809 HG22 VAL 104 1HG2 VAL 104 8.398 3.490 1.269 810 HG23 VAL 104 2HG2 VAL 104 7.356 4.825 1.766 811 H VAL 105 H VAL 105 5.336 3.320 5.291 812 HA VAL 105 HA VAL 105 4.120 0.687 5.434 813 HB VAL 105 HB VAL 105 3.937 0.980 7.956 814 HG11 VAL 105 1HG1 VAL 105 6.725 0.742 6.832 815 HG12 VAL 105 2HG1 VAL 105 5.556 -0.570 7.022 816 HG13 VAL 105 3HG1 VAL 105 6.228 0.227 8.441 817 HG21 VAL 105 3HG2 VAL 105 6.041 3.112 7.508 818 HG22 VAL 105 1HG2 VAL 105 5.553 2.463 9.075 819 HG23 VAL 105 2HG2 VAL 105 4.404 3.381 8.105 820 H VAL 106 H VAL 106 2.000 0.828 5.104 821 HA VAL 106 HA VAL 106 0.723 3.382 5.659 822 HB VAL 106 HB VAL 106 -0.970 2.797 4.080 823 HG11 VAL 106 1HG1 VAL 106 0.962 3.768 3.030 824 HG12 VAL 106 2HG1 VAL 106 0.290 2.547 1.956 825 HG13 VAL 106 3HG1 VAL 106 1.725 2.188 2.910 826 HG21 VAL 106 3HG2 VAL 106 0.339 0.097 3.819 827 HG22 VAL 106 1HG2 VAL 106 -0.963 0.677 2.779 828 HG23 VAL 106 2HG2 VAL 106 -1.241 0.449 4.503 829 H ARG 107 H ARG 107 -1.192 3.341 6.863 830 HA ARG 107 HA ARG 107 -1.933 0.760 7.997 831 HB2 ARG 107 2HB ARG 107 -0.411 1.955 9.554 832 HB3 ARG 107 1HB ARG 107 -1.583 3.278 9.612 833 HG2 ARG 107 2HG ARG 107 -3.234 1.718 10.540 834 HG3 ARG 107 1HG ARG 107 -2.017 0.442 10.518 835 HD2 ARG 107 2HD ARG 107 -1.861 3.017 12.073 836 HD3 ARG 107 1HD ARG 107 -2.215 1.430 12.744 837 HE ARG 107 HE ARG 107 0.335 2.206 11.508 838 HH11 ARG 107 1HH1 ARG 107 -1.470 0.175 13.824 839 HH12 ARG 107 2HH1 ARG 107 -0.091 -0.281 14.689 840 HH21 ARG 107 1HH2 ARG 107 2.246 1.552 12.762 841 HH22 ARG 107 2HH2 ARG 107 2.035 0.481 14.070 842 H PHE 108 H PHE 108 -4.070 0.587 8.420 843 HA PHE 108 HA PHE 108 -5.732 2.821 7.513 844 HB2 PHE 108 2HB PHE 108 -6.208 -0.157 7.303 845 HB3 PHE 108 1HB PHE 108 -7.415 1.059 6.920 846 HD1 PHE 108 2HD PHE 108 -4.128 -0.316 5.920 847 HD2 PHE 108 1HD PHE 108 -7.415 2.153 4.829 848 HE1 PHE 108 2HE PHE 108 -3.291 -0.219 3.605 849 HE2 PHE 108 1HE PHE 108 -6.582 2.250 2.519 850 HZ PHE 108 HZ PHE 108 -4.516 1.059 1.907 851 H GLU 109 H GLU 109 -7.238 3.529 8.861 852 HA GLU 109 HA GLU 109 -7.926 1.863 11.146 853 HB2 GLU 109 2HB GLU 109 -8.018 3.863 12.594 854 HB3 GLU 109 1HB GLU 109 -6.397 3.513 12.021 855 HG2 GLU 109 2HG GLU 109 -6.622 5.293 10.353 856 HG3 GLU 109 1HG GLU 109 -8.243 5.634 10.955 857 H GLN 110 H GLN 110 -9.943 2.496 12.145 858 HA GLN 110 HA GLN 110 -11.846 3.265 10.067 859 HB2 GLN 110 2HB GLN 110 -13.498 1.934 11.246 860 HB3 GLN 110 1HB GLN 110 -12.099 0.941 10.875 861 HG2 GLN 110 2HG GLN 110 -12.678 2.178 13.570 862 HG3 GLN 110 1HG GLN 110 -13.114 0.539 13.115 863 HE21 GLN 110 1HE2 GLN 110 -11.493 -1.005 12.976 864 HE22 GLN 110 2HE2 GLN 110 -9.913 -0.776 13.616 865 H SER 111 H SER 111 -13.613 4.543 10.699 866 HA SER 111 HA SER 111 -13.503 5.725 13.336 867 HB2 SER 111 2HB SER 111 -12.365 7.320 11.845 868 HB3 SER 111 1HB SER 111 -13.721 7.263 10.730 869 HG SER 111 HG SER 111 -13.584 8.385 13.315 870 H SER 112 H SER 112 -15.521 6.094 14.139 871 HA SER 112 HA SER 112 -17.717 4.863 12.738 872 HB2 SER 112 2HB SER 112 -17.611 6.201 15.448 873 HB3 SER 112 1HB SER 112 -18.957 5.248 14.821 874 HG SER 112 HG SER 112 -17.966 3.512 15.255 875 H ASN 113 H ASN 113 -16.497 8.009 13.422 876 HA ASN 113 HA ASN 113 -18.947 9.390 12.785 877 HB2 ASN 113 2HB ASN 113 -17.259 10.296 14.384 878 HB3 ASN 113 1HB ASN 113 -16.142 10.506 13.041 879 HD21 ASN 113 1HD2 ASN 113 -16.511 12.201 11.572 880 HD22 ASN 113 2HD2 ASN 113 -17.655 13.445 11.901 881 H LEU 114 H LEU 114 -15.972 8.513 11.183 882 HA LEU 114 HA LEU 114 -16.607 9.907 8.737 883 HB2 LEU 114 2HB LEU 114 -14.295 9.081 9.664 884 HB3 LEU 114 1HB LEU 114 -14.771 7.540 8.974 885 HG LEU 114 HG LEU 114 -14.983 8.708 6.759 886 HD11 LEU 114 1HD1 LEU 114 -15.219 10.973 7.594 887 HD12 LEU 114 2HD1 LEU 114 -13.819 10.839 6.534 888 HD13 LEU 114 3HD1 LEU 114 -13.595 10.904 8.279 889 HD21 LEU 114 3HD2 LEU 114 -13.037 7.353 7.322 890 HD22 LEU 114 1HD2 LEU 114 -12.296 8.746 8.110 891 HD23 LEU 114 2HD2 LEU 114 -12.575 8.766 6.372 892 H HIS 115 H HIS 115 -17.792 8.966 6.983 893 HA HIS 115 HA HIS 115 -18.831 6.324 7.729 894 HB2 HIS 115 2HB HIS 115 -20.462 8.294 8.010 895 HB3 HIS 115 1HB HIS 115 -20.542 8.324 6.252 896 HD1 HIS 115 1HD HIS 115 -22.394 6.838 5.274 897 HD2 HIS 115 2HD HIS 115 -21.204 5.647 9.080 898 HE1 HIS 115 1HE HIS 115 -23.831 4.874 5.873 899 H THR 116 H THR 116 -20.076 5.281 5.805 900 HA THR 116 HA THR 116 -18.252 4.225 4.115 901 HB THR 116 HB THR 116 -21.231 4.426 3.722 902 HG1 THR 116 1HG THR 116 -19.532 2.955 5.383 903 HG21 THR 116 3HG2 THR 116 -20.966 2.194 2.709 904 HG22 THR 116 1HG2 THR 116 -19.223 2.277 2.963 905 HG23 THR 116 2HG2 THR 116 -20.008 3.381 1.831 906 H GLY 117 H GLY 117 -17.428 4.685 2.265 907 HA2 GLY 117 2HA GLY 117 -17.332 5.438 0.043 908 HA3 GLY 117 1HA GLY 117 -18.746 6.443 0.341 909 H GLN 118 H GLN 118 -16.887 7.071 2.911 910 HA GLN 118 HA GLN 118 -15.553 9.288 1.583 911 HB2 GLN 118 2HB GLN 118 -17.710 9.389 3.155 912 HB3 GLN 118 1HB GLN 118 -16.477 9.365 4.398 913 HG2 GLN 118 2HG GLN 118 -16.553 11.334 2.149 914 HG3 GLN 118 1HG GLN 118 -17.306 11.554 3.728 915 HE21 GLN 118 1HE2 GLN 118 -16.098 11.996 5.417 916 HE22 GLN 118 2HE2 GLN 118 -14.428 12.365 5.379 917 H PHE 119 H PHE 119 -13.403 9.571 2.224 918 HA PHE 119 HA PHE 119 -12.359 7.968 4.384 919 HB2 PHE 119 2HB PHE 119 -10.713 6.809 3.063 920 HB3 PHE 119 1HB PHE 119 -12.282 6.523 2.339 921 HD1 PHE 119 1HD PHE 119 -12.920 7.862 0.268 922 HD2 PHE 119 2HD PHE 119 -8.954 7.676 1.804 923 HE1 PHE 119 1HE PHE 119 -12.038 8.554 -1.923 924 HE2 PHE 119 2HE PHE 119 -8.072 8.374 -0.374 925 HZ PHE 119 HZ PHE 119 -9.605 8.813 -2.240 926 H ARG 120 H ARG 120 -10.166 8.554 4.873 927 HA ARG 120 HA ARG 120 -9.271 11.103 3.759 928 HB2 ARG 120 2HB ARG 120 -9.525 10.384 6.685 929 HB3 ARG 120 1HB ARG 120 -8.505 11.690 6.118 930 HG2 ARG 120 2HG ARG 120 -11.484 11.553 5.656 931 HG3 ARG 120 1HG ARG 120 -10.730 12.394 7.010 932 HD2 ARG 120 2HD ARG 120 -11.191 14.041 5.325 933 HD3 ARG 120 1HD ARG 120 -9.456 13.755 5.338 934 HE ARG 120 HE ARG 120 -11.054 12.301 3.385 935 HH11 ARG 120 1HH1 ARG 120 -8.757 14.955 4.014 936 HH12 ARG 120 2HH1 ARG 120 -8.444 15.226 2.361 937 HH21 ARG 120 1HH2 ARG 120 -10.638 12.756 1.128 938 HH22 ARG 120 2HH2 ARG 120 -9.532 13.990 0.709 939 H ALA 121 H ALA 121 -7.069 11.177 3.450 940 HA ALA 121 HA ALA 121 -5.501 8.987 4.559 941 HB1 ALA 121 1HB ALA 121 -5.427 9.918 1.689 942 HB2 ALA 121 2HB ALA 121 -6.096 8.389 2.259 943 HB3 ALA 121 3HB ALA 121 -4.369 8.705 2.412 944 H ARG 122 H ARG 122 -3.508 9.612 5.226 945 HA ARG 122 HA ARG 122 -2.647 12.353 4.647 946 HB2 ARG 122 2HB ARG 122 -4.014 12.294 6.694 947 HB3 ARG 122 1HB ARG 122 -2.939 11.087 7.368 948 HG2 ARG 122 2HG ARG 122 -1.135 12.715 7.418 949 HG3 ARG 122 1HG ARG 122 -2.204 13.923 6.685 950 HD2 ARG 122 2HD ARG 122 -3.759 13.651 8.563 951 HD3 ARG 122 1HD ARG 122 -2.624 12.531 9.315 952 HE ARG 122 HE ARG 122 -1.162 14.751 8.938 953 HH11 ARG 122 1HH1 ARG 122 -4.278 14.133 10.527 954 HH12 ARG 122 2HH1 ARG 122 -4.129 15.426 11.627 955 HH21 ARG 122 1HH2 ARG 122 -0.983 16.563 10.509 956 HH22 ARG 122 2HH2 ARG 122 -2.257 16.814 11.600 957 H GLY 123 H GLY 123 -0.511 12.415 4.319 958 HA2 GLY 123 2HA GLY 123 1.057 10.027 5.052 959 HA3 GLY 123 1HA GLY 123 1.391 11.041 3.649 960 H THR 124 H THR 124 2.660 10.312 6.495 961 HA THR 124 HA THR 124 3.586 13.034 6.963 962 HB THR 124 HB THR 124 3.290 10.761 8.943 963 HG1 THR 124 1HG THR 124 1.625 13.032 8.433 964 HG21 THR 124 3HG2 THR 124 3.870 13.694 9.308 965 HG22 THR 124 1HG2 THR 124 5.011 12.364 9.510 966 HG23 THR 124 2HG2 THR 124 3.638 12.525 10.623 967 H VAL 125 H VAL 125 5.854 13.233 7.217 968 HA VAL 125 HA VAL 125 7.457 10.905 6.478 969 HB VAL 125 HB VAL 125 8.310 13.789 6.902 970 HG11 VAL 125 1HG1 VAL 125 10.132 12.250 7.342 971 HG12 VAL 125 2HG1 VAL 125 10.432 13.128 5.844 972 HG13 VAL 125 3HG1 VAL 125 9.864 11.456 5.790 973 HG21 VAL 125 3HG2 VAL 125 6.850 13.372 4.897 974 HG22 VAL 125 1HG2 VAL 125 8.128 12.333 4.274 975 HG23 VAL 125 2HG2 VAL 125 8.442 14.047 4.541 976 H ASN 126 H ASN 126 7.778 9.665 8.235 977 HA ASN 126 HA ASN 126 8.458 10.953 10.753 978 HB2 ASN 126 2HB ASN 126 6.856 9.101 10.881 979 HB3 ASN 126 1HB ASN 126 7.974 8.044 10.025 980 HD21 ASN 126 1HD2 ASN 126 7.987 6.573 11.705 981 HD22 ASN 126 2HD2 ASN 126 8.839 6.852 13.174 982 HA PRO 127 HA PRO 127 12.642 10.172 9.287 983 HB2 PRO 127 2HB PRO 127 13.910 11.864 10.956 984 HB3 PRO 127 1HB PRO 127 13.026 12.436 9.537 985 HG2 PRO 127 2HG PRO 127 12.227 12.472 12.408 986 HG3 PRO 127 1HG PRO 127 11.908 13.662 11.134 987 HD2 PRO 127 2HD PRO 127 10.098 11.771 12.041 988 HD3 PRO 127 1HD PRO 127 10.005 12.607 10.479 989 H ASP 128 H ASP 128 11.295 9.789 12.426 990 HA ASP 128 HA ASP 128 13.705 8.464 13.349 991 HB2 ASP 128 2HB ASP 128 12.633 10.181 14.864 992 HB3 ASP 128 1HB ASP 128 11.270 9.077 15.028 993 H VAL 129 H VAL 129 13.232 6.978 11.792 994 HA VAL 129 HA VAL 129 11.388 4.886 12.681 995 HB VAL 129 HB VAL 129 12.731 5.216 9.968 996 HG11 VAL 129 1HG1 VAL 129 10.694 3.187 10.883 997 HG12 VAL 129 2HG1 VAL 129 12.395 2.865 10.567 998 HG13 VAL 129 3HG1 VAL 129 11.326 3.344 9.242 999 HG21 VAL 129 3HG2 VAL 129 10.954 6.849 10.289 1000 HG22 VAL 129 1HG2 VAL 129 9.839 5.565 10.753 1001 HG23 VAL 129 2HG2 VAL 129 10.469 5.631 9.110 1002 H GLU 130 H GLU 130 12.411 3.470 13.885 1003 HA GLU 130 HA GLU 130 15.202 3.085 13.967 1004 HB2 GLU 130 2HB GLU 130 13.109 2.469 15.549 1005 HB3 GLU 130 1HB GLU 130 13.297 0.962 14.656 1006 HG2 GLU 130 2HG GLU 130 15.463 2.247 16.289 1007 HG3 GLU 130 1HG GLU 130 14.370 0.980 16.836 1008 H THR 131 H THR 131 16.283 2.117 12.397 1009 HA THR 131 HA THR 131 15.251 -0.133 10.956 1010 HB THR 131 HB THR 131 14.175 1.805 9.780 1011 HG1 THR 131 1HG THR 131 14.399 0.190 8.390 1012 HG21 THR 131 3HG2 THR 131 15.912 3.501 10.118 1013 HG22 THR 131 1HG2 THR 131 15.566 3.313 8.398 1014 HG23 THR 131 2HG2 THR 131 17.015 2.588 9.090 1015 H HIS 132 H HIS 132 16.911 -0.858 9.339 1016 HA HIS 132 HA HIS 132 19.575 -0.067 10.210 1017 HB2 HIS 132 2HB HIS 132 18.866 -2.333 11.115 1018 HB3 HIS 132 1HB HIS 132 18.704 -2.880 9.453 1019 HD1 HIS 132 1HD HIS 132 21.276 -2.130 12.087 1020 HD2 HIS 132 2HD HIS 132 21.124 -3.378 8.123 1021 HE1 HIS 132 1HE HIS 132 23.588 -2.938 11.517 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -19.949 -22.563 -18.008 2 H2 MET 1 2HT MET 1 -18.909 -23.699 -18.734 3 H3 MET 1 3HT MET 1 -18.814 -23.403 -17.079 4 HA MET 1 HA MET 1 -20.924 -24.338 -16.684 5 HB2 MET 1 2HB MET 1 -20.906 -24.732 -19.678 6 HB3 MET 1 1HB MET 1 -21.954 -25.667 -18.625 7 HG2 MET 1 2HG MET 1 -23.016 -23.609 -17.860 8 HG3 MET 1 1HG MET 1 -21.946 -22.673 -18.898 9 HE1 MET 1 2HE MET 1 -25.542 -22.397 -20.516 10 HE2 MET 1 3HE MET 1 -24.201 -21.491 -19.815 11 HE3 MET 1 1HE MET 1 -25.177 -22.552 -18.801 12 H GLY 2 H GLY 2 -20.823 -26.367 -15.853 13 HA2 GLY 2 2HA GLY 2 -19.965 -28.414 -15.393 14 HA3 GLY 2 1HA GLY 2 -19.274 -28.432 -17.011 15 H SER 3 H SER 3 -17.188 -28.782 -16.917 16 HA SER 3 HA SER 3 -15.650 -28.258 -14.555 17 HB2 SER 3 2HB SER 3 -14.828 -29.398 -17.225 18 HB3 SER 3 1HB SER 3 -13.931 -29.509 -15.710 19 HG SER 3 HG SER 3 -16.114 -30.447 -14.985 20 H GLN 4 H GLN 4 -16.529 -26.305 -17.043 21 HA GLN 4 HA GLN 4 -14.042 -25.050 -17.704 22 HB2 GLN 4 2HB GLN 4 -16.873 -24.093 -18.045 23 HB3 GLN 4 1HB GLN 4 -15.460 -23.292 -18.708 24 HG2 GLN 4 2HG GLN 4 -15.005 -25.145 -20.135 25 HG3 GLN 4 1HG GLN 4 -16.270 -26.103 -19.364 26 HE21 GLN 4 1HE2 GLN 4 -15.922 -25.234 -22.139 27 HE22 GLN 4 2HE2 GLN 4 -17.388 -24.404 -22.542 28 H LYS 5 H LYS 5 -13.364 -24.815 -15.461 29 HA LYS 5 HA LYS 5 -14.198 -22.229 -14.341 30 HB2 LYS 5 2HB LYS 5 -13.399 -24.745 -12.881 31 HB3 LYS 5 1HB LYS 5 -13.746 -23.191 -12.139 32 HG2 LYS 5 2HG LYS 5 -16.026 -23.369 -12.541 33 HG3 LYS 5 1HG LYS 5 -15.807 -24.582 -13.805 34 HD2 LYS 5 2HD LYS 5 -16.661 -25.642 -11.825 35 HD3 LYS 5 1HD LYS 5 -14.997 -26.140 -12.159 36 HE2 LYS 5 2HE LYS 5 -14.203 -24.512 -10.458 37 HE3 LYS 5 1HE LYS 5 -15.880 -24.123 -10.084 38 HZ1 LYS 5 3HZ LYS 5 -16.219 -26.418 -9.403 39 HZ2 LYS 5 1HZ LYS 5 -14.945 -25.741 -8.523 40 HZ3 LYS 5 2HZ LYS 5 -14.616 -26.784 -9.786 41 H ARG 6 H ARG 6 -12.414 -21.230 -13.194 42 HA ARG 6 HA ARG 6 -9.824 -22.384 -13.873 43 HB2 ARG 6 2HB ARG 6 -10.515 -19.436 -13.791 44 HB3 ARG 6 1HB ARG 6 -8.876 -20.052 -13.868 45 HG2 ARG 6 2HG ARG 6 -9.347 -19.487 -16.076 46 HG3 ARG 6 1HG ARG 6 -9.651 -21.219 -16.030 47 HD2 ARG 6 2HD ARG 6 -11.408 -20.129 -17.250 48 HD3 ARG 6 1HD ARG 6 -12.058 -20.746 -15.732 49 HE ARG 6 HE ARG 6 -11.226 -18.145 -15.292 50 HH11 ARG 6 1HH1 ARG 6 -13.722 -19.766 -17.252 51 HH12 ARG 6 2HH1 ARG 6 -14.811 -18.468 -17.190 52 HH21 ARG 6 1HH2 ARG 6 -12.744 -16.346 -15.225 53 HH22 ARG 6 2HH2 ARG 6 -14.245 -16.498 -16.034 54 H LEU 7 H LEU 7 -8.739 -22.969 -12.205 55 HA LEU 7 HA LEU 7 -9.621 -22.286 -9.613 56 HB2 LEU 7 2HB LEU 7 -7.512 -23.602 -8.904 57 HB3 LEU 7 1HB LEU 7 -8.819 -24.460 -9.679 58 HG LEU 7 HG LEU 7 -7.463 -24.340 -11.828 59 HD11 LEU 7 1HD1 LEU 7 -5.070 -24.013 -11.649 60 HD12 LEU 7 2HD1 LEU 7 -5.254 -23.519 -9.966 61 HD13 LEU 7 3HD1 LEU 7 -5.956 -22.540 -11.255 62 HD21 LEU 7 3HD2 LEU 7 -7.639 -26.366 -10.520 63 HD22 LEU 7 1HD2 LEU 7 -6.314 -25.831 -9.486 64 HD23 LEU 7 2HD2 LEU 7 -6.013 -26.200 -11.182 65 H VAL 8 H VAL 8 -8.715 -21.007 -8.057 66 HA VAL 8 HA VAL 8 -7.289 -18.790 -9.232 67 HB VAL 8 HB VAL 8 -8.319 -18.962 -6.387 68 HG11 VAL 8 1HG1 VAL 8 -8.386 -16.512 -6.518 69 HG12 VAL 8 2HG1 VAL 8 -7.690 -16.591 -8.139 70 HG13 VAL 8 3HG1 VAL 8 -6.762 -17.152 -6.750 71 HG21 VAL 8 3HG2 VAL 8 -9.780 -17.983 -8.834 72 HG22 VAL 8 1HG2 VAL 8 -10.346 -17.792 -7.174 73 HG23 VAL 8 2HG2 VAL 8 -10.185 -19.404 -7.875 74 H GLN 9 H GLN 9 -5.451 -20.182 -9.491 75 HA GLN 9 HA GLN 9 -3.372 -19.442 -7.760 76 HB2 GLN 9 2HB GLN 9 -4.340 -21.346 -6.418 77 HB3 GLN 9 1HB GLN 9 -3.990 -22.406 -7.778 78 HG2 GLN 9 2HG GLN 9 -2.267 -22.628 -6.110 79 HG3 GLN 9 1HG GLN 9 -1.597 -21.860 -7.547 80 HE21 GLN 9 1HE2 GLN 9 -0.970 -19.652 -7.442 81 HE22 GLN 9 2HE2 GLN 9 -0.827 -18.868 -5.938 82 H ARG 10 H ARG 10 -2.191 -18.848 -9.481 83 HA ARG 10 HA ARG 10 -1.435 -20.938 -11.337 84 HB2 ARG 10 2HB ARG 10 -1.668 -19.290 -13.220 85 HB3 ARG 10 1HB ARG 10 -3.194 -19.788 -12.510 86 HG2 ARG 10 2HG ARG 10 -3.182 -17.716 -11.185 87 HG3 ARG 10 1HG ARG 10 -1.744 -17.199 -12.074 88 HD2 ARG 10 2HD ARG 10 -2.946 -17.285 -14.161 89 HD3 ARG 10 1HD ARG 10 -4.371 -17.938 -13.370 90 HE ARG 10 HE ARG 10 -3.382 -15.189 -13.255 91 HH11 ARG 10 1HH1 ARG 10 -5.881 -17.506 -12.288 92 HH12 ARG 10 2HH1 ARG 10 -7.112 -16.352 -12.063 93 HH21 ARG 10 1HH2 ARG 10 -5.125 -13.566 -13.016 94 HH22 ARG 10 2HH2 ARG 10 -6.663 -14.055 -12.495 95 H VAL 11 H VAL 11 0.181 -19.210 -12.880 96 HA VAL 11 HA VAL 11 2.135 -18.593 -10.893 97 HB VAL 11 HB VAL 11 3.621 -17.919 -12.860 98 HG11 VAL 11 1HG1 VAL 11 4.017 -20.241 -13.551 99 HG12 VAL 11 2HG1 VAL 11 2.472 -20.705 -12.835 100 HG13 VAL 11 3HG1 VAL 11 3.774 -20.097 -11.811 101 HG21 VAL 11 3HG2 VAL 11 1.861 -17.436 -14.496 102 HG22 VAL 11 1HG2 VAL 11 1.351 -19.124 -14.458 103 HG23 VAL 11 2HG2 VAL 11 2.941 -18.700 -15.089 104 H GLU 12 H GLU 12 1.368 -16.912 -9.729 105 HA GLU 12 HA GLU 12 0.460 -14.510 -11.009 106 HB2 GLU 12 2HB GLU 12 1.092 -15.010 -8.089 107 HB3 GLU 12 1HB GLU 12 0.508 -13.483 -8.707 108 HG2 GLU 12 2HG GLU 12 -1.356 -14.547 -7.759 109 HG3 GLU 12 1HG GLU 12 -1.545 -14.739 -9.497 110 H ARG 13 H ARG 13 3.364 -15.678 -10.986 111 HA ARG 13 HA ARG 13 5.005 -13.619 -10.002 112 HB2 ARG 13 2HB ARG 13 5.786 -15.908 -10.328 113 HB3 ARG 13 1HB ARG 13 5.627 -15.728 -12.066 114 HG2 ARG 13 2HG ARG 13 7.449 -14.212 -12.143 115 HG3 ARG 13 1HG ARG 13 7.448 -14.041 -10.383 116 HD2 ARG 13 2HD ARG 13 8.002 -16.590 -11.868 117 HD3 ARG 13 1HD ARG 13 9.246 -15.527 -11.198 118 HE ARG 13 HE ARG 13 7.630 -15.996 -9.097 119 HH11 ARG 13 1HH1 ARG 13 9.309 -18.187 -11.296 120 HH12 ARG 13 2HH1 ARG 13 9.495 -19.411 -10.131 121 HH21 ARG 13 1HH2 ARG 13 7.868 -17.648 -7.543 122 HH22 ARG 13 2HH2 ARG 13 8.623 -19.112 -7.930 123 H LYS 14 H LYS 14 3.105 -13.665 -12.818 124 HA LYS 14 HA LYS 14 4.644 -11.352 -13.754 125 HB2 LYS 14 2HB LYS 14 3.681 -11.579 -16.019 126 HB3 LYS 14 1HB LYS 14 4.579 -13.007 -15.567 127 HG2 LYS 14 2HG LYS 14 1.577 -12.871 -15.342 128 HG3 LYS 14 1HG LYS 14 2.377 -13.283 -16.845 129 HD2 LYS 14 2HD LYS 14 2.813 -14.769 -14.257 130 HD3 LYS 14 1HD LYS 14 1.629 -15.239 -15.473 131 HE2 LYS 14 2HE LYS 14 4.605 -15.004 -15.944 132 HE3 LYS 14 1HE LYS 14 3.740 -16.506 -15.654 133 HZ1 LYS 14 3HZ LYS 14 2.465 -16.111 -17.676 134 HZ2 LYS 14 1HZ LYS 14 4.117 -16.151 -18.001 135 HZ3 LYS 14 2HZ LYS 14 3.292 -14.677 -17.959 136 H LEU 15 H LEU 15 2.484 -11.718 -11.714 137 HA LEU 15 HA LEU 15 0.659 -9.652 -12.713 138 HB2 LEU 15 2HB LEU 15 0.128 -11.936 -10.813 139 HB3 LEU 15 1HB LEU 15 -0.881 -10.515 -10.842 140 HG LEU 15 HG LEU 15 -1.484 -11.052 -13.205 141 HD11 LEU 15 1HD1 LEU 15 0.464 -12.389 -13.792 142 HD12 LEU 15 2HD1 LEU 15 -1.044 -13.241 -14.114 143 HD13 LEU 15 3HD1 LEU 15 -0.075 -13.672 -12.708 144 HD21 LEU 15 3HD2 LEU 15 -2.947 -11.662 -11.394 145 HD22 LEU 15 1HD2 LEU 15 -2.058 -13.165 -11.143 146 HD23 LEU 15 2HD2 LEU 15 -2.966 -12.922 -12.630 147 H GLU 16 H GLU 16 1.414 -7.794 -11.863 148 HA GLU 16 HA GLU 16 2.388 -7.814 -9.111 149 HB2 GLU 16 2HB GLU 16 2.236 -5.548 -11.113 150 HB3 GLU 16 1HB GLU 16 2.918 -5.416 -9.496 151 HG2 GLU 16 2HG GLU 16 4.610 -7.076 -10.064 152 HG3 GLU 16 1HG GLU 16 3.914 -7.213 -11.677 153 H GLN 17 H GLN 17 -0.400 -7.646 -10.659 154 HA GLN 17 HA GLN 17 -1.825 -5.775 -8.958 155 HB2 GLN 17 2HB GLN 17 -2.812 -7.697 -11.073 156 HB3 GLN 17 1HB GLN 17 -3.761 -6.428 -10.314 157 HG2 GLN 17 2HG GLN 17 -2.390 -4.731 -11.347 158 HG3 GLN 17 1HG GLN 17 -1.313 -5.960 -12.000 159 HE21 GLN 17 1HE2 GLN 17 -2.847 -3.931 -13.378 160 HE22 GLN 17 2HE2 GLN 17 -3.856 -4.759 -14.501 161 H THR 18 H THR 18 -3.467 -6.477 -7.495 162 HA THR 18 HA THR 18 -3.058 -9.081 -6.327 163 HB THR 18 HB THR 18 -4.991 -6.891 -5.547 164 HG1 THR 18 1HG THR 18 -2.217 -7.102 -5.301 165 HG21 THR 18 3HG2 THR 18 -4.680 -7.831 -3.303 166 HG22 THR 18 1HG2 THR 18 -3.553 -9.024 -3.962 167 HG23 THR 18 2HG2 THR 18 -5.255 -9.063 -4.434 168 H VAL 19 H VAL 19 -4.558 -10.782 -6.663 169 HA VAL 19 HA VAL 19 -6.829 -10.178 -8.295 170 HB VAL 19 HB VAL 19 -7.453 -12.653 -8.026 171 HG11 VAL 19 1HG1 VAL 19 -6.236 -11.857 -9.972 172 HG12 VAL 19 2HG1 VAL 19 -5.665 -13.456 -9.498 173 HG13 VAL 19 3HG1 VAL 19 -4.709 -12.026 -9.106 174 HG21 VAL 19 3HG2 VAL 19 -6.262 -13.049 -5.901 175 HG22 VAL 19 1HG2 VAL 19 -4.728 -12.819 -6.731 176 HG23 VAL 19 2HG2 VAL 19 -5.761 -14.186 -7.157 177 H GLY 20 H GLY 20 -8.165 -8.936 -7.366 178 HA2 GLY 20 2HA GLY 20 -8.828 -9.225 -4.570 179 HA3 GLY 20 1HA GLY 20 -9.306 -7.912 -5.627 180 H ASP 21 H ASP 21 -9.772 -11.413 -5.692 181 HA ASP 21 HA ASP 21 -12.361 -11.381 -6.751 182 HB2 ASP 21 2HB ASP 21 -10.876 -13.448 -5.164 183 HB3 ASP 21 1HB ASP 21 -12.543 -13.693 -5.635 184 H ALA 22 H ALA 22 -11.242 -11.481 -3.509 185 HA ALA 22 HA ALA 22 -13.800 -11.700 -2.290 186 HB1 ALA 22 1HB ALA 22 -11.734 -12.315 -1.090 187 HB2 ALA 22 2HB ALA 22 -12.670 -11.111 -0.201 188 HB3 ALA 22 3HB ALA 22 -11.240 -10.621 -1.102 189 H PHE 23 H PHE 23 -11.615 -9.029 -2.736 190 HA PHE 23 HA PHE 23 -13.137 -6.981 -1.671 191 HB2 PHE 23 2HB PHE 23 -11.165 -7.053 -3.884 192 HB3 PHE 23 1HB PHE 23 -11.785 -5.514 -3.262 193 HD1 PHE 23 1HD PHE 23 -11.269 -4.911 -0.881 194 HD2 PHE 23 2HD PHE 23 -9.470 -8.259 -2.796 195 HE1 PHE 23 1HE PHE 23 -9.525 -4.960 0.853 196 HE2 PHE 23 2HE PHE 23 -7.720 -8.313 -1.067 197 HZ PHE 23 HZ PHE 23 -7.750 -6.663 0.763 198 H ALA 24 H ALA 24 -13.116 -8.191 -5.024 199 HA ALA 24 HA ALA 24 -14.902 -6.300 -6.073 200 HB1 ALA 24 1HB ALA 24 -15.177 -7.840 -7.942 201 HB2 ALA 24 2HB ALA 24 -14.456 -9.135 -6.987 202 HB3 ALA 24 3HB ALA 24 -13.482 -7.744 -7.463 203 H ARG 25 H ARG 25 -15.452 -9.406 -4.530 204 HA ARG 25 HA ARG 25 -18.273 -9.335 -4.999 205 HB2 ARG 25 2HB ARG 25 -16.531 -11.096 -3.301 206 HB3 ARG 25 1HB ARG 25 -18.278 -11.287 -3.400 207 HG2 ARG 25 2HG ARG 25 -18.173 -11.804 -5.719 208 HG3 ARG 25 1HG ARG 25 -16.474 -11.335 -5.800 209 HD2 ARG 25 2HD ARG 25 -15.844 -13.179 -4.403 210 HD3 ARG 25 1HD ARG 25 -17.533 -13.596 -4.126 211 HE ARG 25 HE ARG 25 -17.651 -14.559 -6.165 212 HH11 ARG 25 1HH1 ARG 25 -14.612 -12.771 -6.108 213 HH12 ARG 25 2HH1 ARG 25 -13.831 -13.731 -7.286 214 HH21 ARG 25 1HH2 ARG 25 -16.601 -15.881 -7.769 215 HH22 ARG 25 2HH2 ARG 25 -15.008 -15.562 -8.263 216 H ILE 26 H ILE 26 -16.166 -8.373 -2.379 217 HA ILE 26 HA ILE 26 -18.190 -7.928 -0.475 218 HB ILE 26 HB ILE 26 -15.485 -6.572 -0.756 219 HG12 ILE 26 2HG1 ILE 26 -16.407 -8.779 1.108 220 HG13 ILE 26 1HG1 ILE 26 -15.415 -9.015 -0.325 221 HG21 ILE 26 1HG2 ILE 26 -15.779 -5.864 1.583 222 HG22 ILE 26 2HG2 ILE 26 -17.434 -6.488 1.546 223 HG23 ILE 26 3HG2 ILE 26 -16.974 -5.141 0.507 224 HD11 ILE 26 3HD1 ILE 26 -14.640 -7.449 2.131 225 HD12 ILE 26 1HD1 ILE 26 -13.633 -7.680 0.702 226 HD13 ILE 26 2HD1 ILE 26 -14.077 -9.063 1.704 227 H PHE 27 H PHE 27 -16.542 -5.627 -2.630 228 HA PHE 27 HA PHE 27 -18.266 -3.478 -2.000 229 HB2 PHE 27 2HB PHE 27 -16.307 -3.957 -4.201 230 HB3 PHE 27 1HB PHE 27 -17.301 -2.503 -4.148 231 HD1 PHE 27 2HD PHE 27 -14.895 -4.472 -2.096 232 HD2 PHE 27 1HD PHE 27 -16.616 -0.702 -2.967 233 HE1 PHE 27 2HE PHE 27 -13.299 -3.413 -0.568 234 HE2 PHE 27 1HE PHE 27 -15.025 0.388 -1.442 235 HZ PHE 27 HZ PHE 27 -13.351 -0.968 -0.234 236 H GLY 28 H GLY 28 -18.376 -6.013 -4.397 237 HA2 GLY 28 2HA GLY 28 -20.267 -6.769 -5.463 238 HA3 GLY 28 1HA GLY 28 -21.108 -5.301 -4.987 239 H GLY 29 H GLY 29 -20.955 -3.485 -6.243 240 HA2 GLY 29 2HA GLY 29 -19.923 -4.044 -8.948 241 HA3 GLY 29 1HA GLY 29 -21.311 -3.026 -8.607 242 H SER 30 H SER 30 -20.235 -1.482 -6.524 243 HA SER 30 HA SER 30 -18.656 0.256 -8.189 244 HB2 SER 30 2HB SER 30 -19.884 0.697 -5.471 245 HB3 SER 30 1HB SER 30 -19.191 1.941 -6.520 246 HG SER 30 HG SER 30 -20.838 0.673 -8.021 247 H ILE 31 H ILE 31 -16.597 -0.446 -8.214 248 HA ILE 31 HA ILE 31 -15.089 -0.096 -5.834 249 HB ILE 31 HB ILE 31 -15.625 -2.350 -5.384 250 HG12 ILE 31 2HG1 ILE 31 -12.874 -2.256 -6.641 251 HG13 ILE 31 1HG1 ILE 31 -13.276 -1.781 -4.997 252 HG21 ILE 31 1HG2 ILE 31 -14.879 -3.079 -8.212 253 HG22 ILE 31 2HG2 ILE 31 -16.496 -3.074 -7.515 254 HG23 ILE 31 3HG2 ILE 31 -15.294 -4.230 -6.942 255 HD11 ILE 31 3HD1 ILE 31 -13.853 -4.110 -4.493 256 HD12 ILE 31 1HD1 ILE 31 -12.187 -3.938 -5.049 257 HD13 ILE 31 2HD1 ILE 31 -13.421 -4.558 -6.144 258 H VAL 32 H VAL 32 -13.866 1.402 -6.736 259 HA VAL 32 HA VAL 32 -12.050 0.359 -8.728 260 HB VAL 32 HB VAL 32 -13.301 2.080 -9.882 261 HG11 VAL 32 1HG1 VAL 32 -14.224 3.320 -8.057 262 HG12 VAL 32 2HG1 VAL 32 -13.390 4.424 -9.150 263 HG13 VAL 32 3HG1 VAL 32 -12.634 3.948 -7.626 264 HG21 VAL 32 3HG2 VAL 32 -10.592 3.169 -9.125 265 HG22 VAL 32 1HG2 VAL 32 -11.541 3.683 -10.519 266 HG23 VAL 32 2HG2 VAL 32 -10.935 2.028 -10.424 267 HA PRO 33 HA PRO 33 -9.703 0.798 -4.941 268 HB2 PRO 33 2HB PRO 33 -7.697 -0.887 -5.640 269 HB3 PRO 33 1HB PRO 33 -9.268 -1.456 -5.081 270 HG2 PRO 33 2HG PRO 33 -8.233 -1.224 -7.877 271 HG3 PRO 33 1HG PRO 33 -9.167 -2.535 -7.140 272 HD2 PRO 33 2HD PRO 33 -10.271 -0.650 -8.736 273 HD3 PRO 33 1HD PRO 33 -11.167 -1.424 -7.415 274 H GLN 34 H GLN 34 -8.781 1.491 -8.137 275 HA GLN 34 HA GLN 34 -6.171 2.439 -7.744 276 HB2 GLN 34 2HB GLN 34 -7.083 1.928 -9.976 277 HB3 GLN 34 1HB GLN 34 -8.188 3.285 -9.842 278 HG2 GLN 34 2HG GLN 34 -6.290 4.829 -9.782 279 HG3 GLN 34 1HG GLN 34 -5.182 3.469 -9.888 280 HE21 GLN 34 1HE2 GLN 34 -4.290 4.285 -11.760 281 HE22 GLN 34 2HE2 GLN 34 -5.078 4.225 -13.280 282 H GLU 35 H GLU 35 -9.275 3.845 -7.056 283 HA GLU 35 HA GLU 35 -8.552 6.544 -6.933 284 HB2 GLU 35 2HB GLU 35 -10.723 4.963 -5.612 285 HB3 GLU 35 1HB GLU 35 -10.503 6.671 -5.256 286 HG2 GLU 35 2HG GLU 35 -10.896 5.566 -8.024 287 HG3 GLU 35 1HG GLU 35 -12.199 6.183 -7.009 288 H VAL 36 H VAL 36 -8.121 3.979 -4.616 289 HA VAL 36 HA VAL 36 -7.530 5.706 -2.429 290 HB VAL 36 HB VAL 36 -6.719 2.794 -2.764 291 HG11 VAL 36 1HG1 VAL 36 -6.997 4.492 -0.282 292 HG12 VAL 36 2HG1 VAL 36 -5.485 3.923 -0.991 293 HG13 VAL 36 3HG1 VAL 36 -6.628 2.767 -0.309 294 HG21 VAL 36 3HG2 VAL 36 -9.167 3.957 -1.450 295 HG22 VAL 36 1HG2 VAL 36 -8.712 2.253 -1.463 296 HG23 VAL 36 2HG2 VAL 36 -9.142 3.065 -2.977 297 H GLU 37 H GLU 37 -5.501 3.751 -4.613 298 HA GLU 37 HA GLU 37 -3.086 4.789 -3.566 299 HB2 GLU 37 2HB GLU 37 -2.010 3.806 -5.586 300 HB3 GLU 37 1HB GLU 37 -3.007 2.686 -4.673 301 HG2 GLU 37 2HG GLU 37 -4.788 2.930 -6.276 302 HG3 GLU 37 1HG GLU 37 -3.826 4.089 -7.192 303 H ALA 38 H ALA 38 -5.213 5.868 -6.083 304 HA ALA 38 HA ALA 38 -3.578 7.839 -7.227 305 HB1 ALA 38 1HB ALA 38 -5.717 7.190 -8.211 306 HB2 ALA 38 2HB ALA 38 -5.676 8.932 -7.922 307 HB3 ALA 38 3HB ALA 38 -6.567 7.875 -6.829 308 H LEU 39 H LEU 39 -5.627 7.860 -4.369 309 HA LEU 39 HA LEU 39 -5.225 10.613 -3.825 310 HB2 LEU 39 2HB LEU 39 -7.132 9.096 -2.992 311 HB3 LEU 39 1HB LEU 39 -5.997 8.473 -1.827 312 HG LEU 39 HG LEU 39 -7.556 10.115 -0.854 313 HD11 LEU 39 1HD1 LEU 39 -5.390 9.890 0.193 314 HD12 LEU 39 2HD1 LEU 39 -5.985 11.547 0.310 315 HD13 LEU 39 3HD1 LEU 39 -4.732 11.138 -0.865 316 HD21 LEU 39 3HD2 LEU 39 -7.926 11.501 -2.809 317 HD22 LEU 39 1HD2 LEU 39 -6.271 12.101 -2.715 318 HD23 LEU 39 2HD2 LEU 39 -7.419 12.479 -1.431 319 H LEU 40 H LEU 40 -3.743 7.602 -2.636 320 HA LEU 40 HA LEU 40 -2.003 9.041 -0.954 321 HB2 LEU 40 2HB LEU 40 -1.999 6.156 -1.709 322 HB3 LEU 40 1HB LEU 40 -0.629 6.834 -0.859 323 HG LEU 40 HG LEU 40 -1.986 5.844 0.799 324 HD11 LEU 40 1HD1 LEU 40 -2.585 7.612 2.254 325 HD12 LEU 40 2HD1 LEU 40 -2.641 8.752 0.923 326 HD13 LEU 40 3HD1 LEU 40 -1.103 8.011 1.380 327 HD21 LEU 40 3HD2 LEU 40 -4.047 5.533 -0.375 328 HD22 LEU 40 1HD2 LEU 40 -4.349 7.278 -0.408 329 HD23 LEU 40 2HD2 LEU 40 -4.362 6.401 1.123 330 H ARG 41 H ARG 41 -1.477 8.028 -4.303 331 HA ARG 41 HA ARG 41 1.255 8.780 -4.249 332 HB2 ARG 41 2HB ARG 41 1.063 9.019 -6.735 333 HB3 ARG 41 1HB ARG 41 0.433 7.483 -6.172 334 HG2 ARG 41 2HG ARG 41 -1.781 8.172 -6.449 335 HG3 ARG 41 1HG ARG 41 -1.320 9.856 -6.665 336 HD2 ARG 41 2HD ARG 41 -0.605 7.614 -8.543 337 HD3 ARG 41 1HD ARG 41 -1.944 8.742 -8.780 338 HE ARG 41 HE ARG 41 0.904 9.397 -8.802 339 HH11 ARG 41 1HH1 ARG 41 -2.457 10.444 -9.430 340 HH12 ARG 41 2HH1 ARG 41 -1.987 11.730 -10.432 341 HH21 ARG 41 1HH2 ARG 41 1.470 11.215 -10.185 342 HH22 ARG 41 2HH2 ARG 41 0.243 12.174 -10.863 343 H ARG 42 H ARG 42 -1.745 10.549 -4.568 344 HA ARG 42 HA ARG 42 -0.533 13.011 -5.293 345 HB2 ARG 42 2HB ARG 42 -2.895 12.469 -5.815 346 HB3 ARG 42 1HB ARG 42 -3.270 12.426 -4.108 347 HG2 ARG 42 2HG ARG 42 -2.200 14.931 -5.344 348 HG3 ARG 42 1HG ARG 42 -3.896 14.505 -5.551 349 HD2 ARG 42 2HD ARG 42 -4.183 14.464 -3.128 350 HD3 ARG 42 1HD ARG 42 -2.473 14.834 -2.914 351 HE ARG 42 HE ARG 42 -2.866 16.983 -3.861 352 HH11 ARG 42 1HH1 ARG 42 -5.894 15.225 -3.284 353 HH12 ARG 42 2HH1 ARG 42 -6.788 16.612 -2.893 354 HH21 ARG 42 1HH2 ARG 42 -4.141 18.922 -3.368 355 HH22 ARG 42 2HH2 ARG 42 -5.776 18.751 -2.951 356 H GLU 43 H GLU 43 -1.425 11.464 -2.272 357 HA GLU 43 HA GLU 43 -0.822 13.600 -0.537 358 HB2 GLU 43 2HB GLU 43 -2.089 11.644 0.203 359 HB3 GLU 43 1HB GLU 43 -0.714 10.604 -0.111 360 HG2 GLU 43 2HG GLU 43 -0.957 10.962 2.260 361 HG3 GLU 43 1HG GLU 43 0.527 11.708 1.687 362 H ALA 44 H ALA 44 1.114 10.925 -1.788 363 HA ALA 44 HA ALA 44 3.523 11.533 -0.527 364 HB1 ALA 44 1HB ALA 44 3.093 10.269 -3.235 365 HB2 ALA 44 2HB ALA 44 3.100 9.418 -1.692 366 HB3 ALA 44 3HB ALA 44 4.575 10.184 -2.280 367 H ALA 45 H ALA 45 2.281 12.511 -3.693 368 HA ALA 45 HA ALA 45 4.506 14.052 -4.468 369 HB1 ALA 45 1HB ALA 45 1.649 14.323 -5.388 370 HB2 ALA 45 2HB ALA 45 2.838 13.207 -6.058 371 HB3 ALA 45 3HB ALA 45 3.075 14.949 -6.218 372 H ASP 46 H ASP 46 1.572 14.882 -2.722 373 HA ASP 46 HA ASP 46 2.014 17.705 -2.764 374 HB2 ASP 46 2HB ASP 46 -0.230 16.623 -2.372 375 HB3 ASP 46 1HB ASP 46 0.349 16.123 -0.789 376 H GLY 47 H GLY 47 2.725 15.093 -0.531 377 HA2 GLY 47 2HA GLY 47 3.946 16.898 1.380 378 HA3 GLY 47 1HA GLY 47 3.660 15.178 1.575 379 H ILE 48 H ILE 48 5.216 16.454 -1.261 380 HA ILE 48 HA ILE 48 7.587 14.963 -0.794 381 HB ILE 48 HB ILE 48 6.779 17.021 -2.846 382 HG12 ILE 48 2HG1 ILE 48 5.870 14.774 -3.089 383 HG13 ILE 48 1HG1 ILE 48 6.939 15.175 -4.427 384 HG21 ILE 48 1HG2 ILE 48 8.858 16.662 -4.037 385 HG22 ILE 48 2HG2 ILE 48 9.430 15.684 -2.675 386 HG23 ILE 48 3HG2 ILE 48 9.119 17.408 -2.448 387 HD11 ILE 48 3HD1 ILE 48 7.572 13.376 -2.085 388 HD12 ILE 48 1HD1 ILE 48 8.714 13.839 -3.352 389 HD13 ILE 48 2HD1 ILE 48 7.285 12.903 -3.758 390 H GLN 49 H GLN 49 9.457 15.592 0.137 391 HA GLN 49 HA GLN 49 9.418 18.246 1.357 392 HB2 GLN 49 2HB GLN 49 9.370 16.075 2.764 393 HB3 GLN 49 1HB GLN 49 11.011 15.869 2.235 394 HG2 GLN 49 2HG GLN 49 11.715 17.917 3.230 395 HG3 GLN 49 1HG GLN 49 10.057 18.288 3.707 396 HE21 GLN 49 1HE2 GLN 49 12.857 16.391 4.383 397 HE22 GLN 49 2HE2 GLN 49 12.339 15.782 5.907 398 H SER 50 H SER 50 11.099 19.549 0.988 399 HA SER 50 HA SER 50 12.799 19.057 -1.182 400 HB2 SER 50 2HB SER 50 12.917 21.204 0.937 401 HB3 SER 50 1HB SER 50 13.778 21.223 -0.603 402 HG SER 50 HG SER 50 11.376 22.111 -0.130 403 H LEU 51 H LEU 51 14.280 17.622 -1.076 404 HA LEU 51 HA LEU 51 16.150 17.650 1.174 405 HB2 LEU 51 2HB LEU 51 14.688 15.557 0.813 406 HB3 LEU 51 1HB LEU 51 15.544 15.329 -0.691 407 HG LEU 51 HG LEU 51 17.651 14.956 0.566 408 HD11 LEU 51 1HD1 LEU 51 15.904 15.259 2.995 409 HD12 LEU 51 2HD1 LEU 51 17.163 16.389 2.491 410 HD13 LEU 51 3HD1 LEU 51 17.589 14.748 2.981 411 HD21 LEU 51 3HD2 LEU 51 17.094 12.846 1.495 412 HD22 LEU 51 1HD2 LEU 51 16.123 13.092 0.050 413 HD23 LEU 51 2HD2 LEU 51 15.400 13.292 1.658 414 H GLN 52 H GLN 52 18.199 16.295 -0.164 415 HA GLN 52 HA GLN 52 19.513 18.168 -1.674 416 HB2 GLN 52 2HB GLN 52 19.722 15.171 -1.775 417 HB3 GLN 52 1HB GLN 52 20.889 16.271 -2.492 418 HG2 GLN 52 2HG GLN 52 21.426 17.167 -0.320 419 HG3 GLN 52 1HG GLN 52 20.169 16.174 0.416 420 HE21 GLN 52 1HE2 GLN 52 23.249 16.162 -1.137 421 HE22 GLN 52 2HE2 GLN 52 23.745 14.605 -0.600 422 H GLY 53 H GLY 53 19.990 18.343 -3.911 423 HA2 GLY 53 2HA GLY 53 17.718 18.260 -5.596 424 HA3 GLY 53 1HA GLY 53 19.348 18.672 -6.084 425 H ASN 54 H ASN 54 19.682 15.778 -4.738 426 HA ASN 54 HA ASN 54 20.038 14.331 -7.129 427 HB2 ASN 54 2HB ASN 54 19.647 13.226 -4.327 428 HB3 ASN 54 1HB ASN 54 20.367 12.373 -5.686 429 HD21 ASN 54 1HD2 ASN 54 21.454 12.936 -3.058 430 HD22 ASN 54 2HD2 ASN 54 22.904 13.836 -3.309 431 H ARG 55 H ARG 55 17.577 14.379 -4.583 432 HA ARG 55 HA ARG 55 15.410 13.983 -6.204 433 HB2 ARG 55 2HB ARG 55 14.732 11.681 -5.302 434 HB3 ARG 55 1HB ARG 55 15.881 11.749 -6.628 435 HG2 ARG 55 2HG ARG 55 17.704 11.437 -5.028 436 HG3 ARG 55 1HG ARG 55 16.526 11.305 -3.732 437 HD2 ARG 55 2HD ARG 55 17.322 9.091 -4.652 438 HD3 ARG 55 1HD ARG 55 15.573 9.321 -4.607 439 HE ARG 55 HE ARG 55 15.802 9.963 -7.003 440 HH11 ARG 55 1HH1 ARG 55 18.005 7.611 -5.500 441 HH12 ARG 55 2HH1 ARG 55 18.352 6.804 -6.944 442 HH21 ARG 55 1HH2 ARG 55 16.295 8.842 -9.020 443 HH22 ARG 55 2HH2 ARG 55 17.377 7.527 -8.983 444 H LEU 56 H LEU 56 13.475 13.736 -5.056 445 HA LEU 56 HA LEU 56 13.535 15.377 -2.622 446 HB2 LEU 56 2HB LEU 56 11.292 14.543 -4.445 447 HB3 LEU 56 1HB LEU 56 11.280 15.794 -3.209 448 HG LEU 56 HG LEU 56 13.018 15.921 -5.667 449 HD11 LEU 56 1HD1 LEU 56 10.392 17.302 -5.162 450 HD12 LEU 56 2HD1 LEU 56 10.654 15.959 -6.276 451 HD13 LEU 56 3HD1 LEU 56 11.441 17.511 -6.567 452 HD21 LEU 56 3HD2 LEU 56 13.856 17.226 -3.789 453 HD22 LEU 56 1HD2 LEU 56 12.274 17.979 -3.589 454 HD23 LEU 56 2HD2 LEU 56 13.225 18.292 -5.041 455 H LEU 57 H LEU 57 12.227 14.885 -0.833 456 HA LEU 57 HA LEU 57 12.362 12.046 -0.299 457 HB2 LEU 57 2HB LEU 57 13.519 13.701 1.121 458 HB3 LEU 57 1HB LEU 57 11.984 14.435 1.492 459 HG LEU 57 HG LEU 57 11.291 12.390 2.685 460 HD11 LEU 57 1HD1 LEU 57 12.621 10.815 1.361 461 HD12 LEU 57 2HD1 LEU 57 12.893 10.627 3.098 462 HD13 LEU 57 3HD1 LEU 57 14.094 11.445 2.101 463 HD21 LEU 57 3HD2 LEU 57 13.955 13.529 3.515 464 HD22 LEU 57 1HD2 LEU 57 12.879 12.601 4.556 465 HD23 LEU 57 2HD2 LEU 57 12.364 14.165 3.931 466 H ALA 58 H ALA 58 10.584 10.890 -0.080 467 HA ALA 58 HA ALA 58 7.995 12.244 -0.172 468 HB1 ALA 58 1HB ALA 58 7.163 10.140 -1.168 469 HB2 ALA 58 2HB ALA 58 8.785 9.459 -1.061 470 HB3 ALA 58 3HB ALA 58 8.478 10.834 -2.120 471 HA PRO 59 HA PRO 59 7.003 10.570 3.857 472 HB2 PRO 59 2HB PRO 59 4.355 9.811 2.770 473 HB3 PRO 59 1HB PRO 59 4.745 10.881 4.119 474 HG2 PRO 59 2HG PRO 59 3.860 11.870 1.813 475 HG3 PRO 59 1HG PRO 59 5.126 12.700 2.737 476 HD2 PRO 59 2HD PRO 59 5.386 10.975 0.302 477 HD3 PRO 59 1HD PRO 59 6.201 12.504 0.706 478 H ASN 60 H ASN 60 6.701 8.630 4.957 479 HA ASN 60 HA ASN 60 6.555 6.199 3.306 480 HB2 ASN 60 2HB ASN 60 8.168 5.103 4.796 481 HB3 ASN 60 1HB ASN 60 8.869 6.527 4.042 482 HD21 ASN 60 1HD2 ASN 60 9.504 5.072 6.519 483 HD22 ASN 60 2HD2 ASN 60 9.511 6.286 7.757 484 H GLU 61 H GLU 61 5.596 7.882 6.168 485 HA GLU 61 HA GLU 61 4.204 5.541 7.168 486 HB2 GLU 61 2HB GLU 61 5.545 6.865 8.758 487 HB3 GLU 61 1HB GLU 61 4.627 8.302 8.348 488 HG2 GLU 61 2HG GLU 61 2.630 7.344 9.312 489 HG3 GLU 61 1HG GLU 61 3.483 5.834 9.632 490 H TYR 62 H TYR 62 2.268 5.257 6.331 491 HA TYR 62 HA TYR 62 0.637 7.620 5.708 492 HB2 TYR 62 2HB TYR 62 0.787 4.999 4.222 493 HB3 TYR 62 1HB TYR 62 -0.438 6.228 3.933 494 HD1 TYR 62 1HD TYR 62 0.165 8.339 2.889 495 HD2 TYR 62 2HD TYR 62 3.041 5.269 3.446 496 HE1 TYR 62 1HE TYR 62 1.645 9.455 1.281 497 HE2 TYR 62 2HE TYR 62 4.537 6.372 1.847 498 HH TYR 62 HH TYR 62 4.572 7.965 0.161 499 H ILE 63 H ILE 63 -1.120 7.749 6.842 500 HA ILE 63 HA ILE 63 -2.261 5.267 7.878 501 HB ILE 63 HB ILE 63 -2.176 7.971 9.259 502 HG12 ILE 63 2HG1 ILE 63 -0.958 5.295 10.010 503 HG13 ILE 63 1HG1 ILE 63 -0.079 6.686 9.397 504 HG21 ILE 63 1HG2 ILE 63 -3.374 6.869 11.108 505 HG22 ILE 63 2HG2 ILE 63 -3.531 5.411 10.128 506 HG23 ILE 63 3HG2 ILE 63 -4.337 6.896 9.629 507 HD11 ILE 63 3HD1 ILE 63 -1.559 6.536 12.015 508 HD12 ILE 63 1HD1 ILE 63 -0.673 7.932 11.405 509 HD13 ILE 63 2HD1 ILE 63 0.191 6.446 11.793 510 H ILE 64 H ILE 64 -4.107 4.836 6.969 511 HA ILE 64 HA ILE 64 -5.725 7.072 6.038 512 HB ILE 64 HB ILE 64 -5.677 4.219 4.932 513 HG12 ILE 64 2HG1 ILE 64 -5.006 5.355 2.776 514 HG13 ILE 64 1HG1 ILE 64 -4.713 6.816 3.704 515 HG21 ILE 64 1HG2 ILE 64 -7.286 6.600 4.030 516 HG22 ILE 64 2HG2 ILE 64 -7.900 5.172 4.860 517 HG23 ILE 64 3HG2 ILE 64 -7.242 5.026 3.230 518 HD11 ILE 64 3HD1 ILE 64 -3.292 4.187 4.006 519 HD12 ILE 64 1HD1 ILE 64 -2.973 5.642 4.947 520 HD13 ILE 64 2HD1 ILE 64 -2.660 5.626 3.208 521 H THR 65 H THR 65 -7.593 7.303 6.927 522 HA THR 65 HA THR 65 -8.547 5.247 8.791 523 HB THR 65 HB THR 65 -9.071 8.229 8.825 524 HG1 THR 65 1HG THR 65 -6.922 6.726 9.622 525 HG21 THR 65 3HG2 THR 65 -10.730 6.857 10.017 526 HG22 THR 65 1HG2 THR 65 -9.759 7.806 11.138 527 HG23 THR 65 2HG2 THR 65 -9.438 6.084 10.928 528 H LEU 66 H LEU 66 -10.302 4.250 8.031 529 HA LEU 66 HA LEU 66 -12.040 5.557 6.053 530 HB2 LEU 66 2HB LEU 66 -11.451 2.708 6.756 531 HB3 LEU 66 1HB LEU 66 -13.018 3.090 6.096 532 HG LEU 66 HG LEU 66 -11.471 2.240 4.389 533 HD11 LEU 66 1HD1 LEU 66 -13.205 3.565 3.617 534 HD12 LEU 66 2HD1 LEU 66 -11.739 4.071 2.753 535 HD13 LEU 66 3HD1 LEU 66 -12.376 5.030 4.098 536 HD21 LEU 66 3HD2 LEU 66 -9.374 3.072 5.308 537 HD22 LEU 66 1HD2 LEU 66 -9.888 4.721 4.952 538 HD23 LEU 66 2HD2 LEU 66 -9.598 3.584 3.632 539 H GLY 67 H GLY 67 -14.349 5.338 6.317 540 HA2 GLY 67 2HA GLY 67 -15.311 5.602 8.957 541 HA3 GLY 67 1HA GLY 67 -16.299 5.293 7.519 542 H VAL 68 H VAL 68 -16.467 4.086 10.164 543 HA VAL 68 HA VAL 68 -15.335 1.562 10.308 544 HB VAL 68 HB VAL 68 -16.424 2.640 12.162 545 HG11 VAL 68 1HG1 VAL 68 -18.872 2.616 12.459 546 HG12 VAL 68 2HG1 VAL 68 -19.039 2.051 10.794 547 HG13 VAL 68 3HG1 VAL 68 -18.342 3.637 11.120 548 HG21 VAL 68 3HG2 VAL 68 -16.086 0.266 12.376 549 HG22 VAL 68 1HG2 VAL 68 -17.617 -0.048 11.562 550 HG23 VAL 68 2HG2 VAL 68 -17.610 0.701 13.157 551 H HIS 69 H HIS 69 -18.172 2.525 8.528 552 HA HIS 69 HA HIS 69 -19.046 -0.119 7.907 553 HB2 HIS 69 2HB HIS 69 -20.542 1.888 7.896 554 HB3 HIS 69 1HB HIS 69 -19.706 2.462 6.464 555 HD1 HIS 69 1HD HIS 69 -22.422 0.161 7.534 556 HD2 HIS 69 2HD HIS 69 -20.166 0.883 4.128 557 HE1 HIS 69 1HE HIS 69 -23.655 -0.938 5.633 558 H ASP 70 H ASP 70 -16.760 2.117 6.450 559 HA ASP 70 HA ASP 70 -16.621 0.477 4.082 560 HB2 ASP 70 2HB ASP 70 -15.033 2.921 4.882 561 HB3 ASP 70 1HB ASP 70 -14.795 2.035 3.376 562 H PHE 71 H PHE 71 -15.044 0.793 7.115 563 HA PHE 71 HA PHE 71 -12.629 -0.486 6.534 564 HB2 PHE 71 2HB PHE 71 -13.114 0.785 8.585 565 HB3 PHE 71 1HB PHE 71 -14.248 -0.459 9.078 566 HD1 PHE 71 2HD PHE 71 -10.723 0.198 8.345 567 HD2 PHE 71 1HD PHE 71 -13.528 -2.323 10.245 568 HE1 PHE 71 2HE PHE 71 -8.871 -0.960 9.509 569 HE2 PHE 71 1HE PHE 71 -11.704 -3.497 11.426 570 HZ PHE 71 HZ PHE 71 -9.373 -2.812 11.057 571 H GLU 72 H GLU 72 -15.801 -1.728 7.531 572 HA GLU 72 HA GLU 72 -14.986 -4.414 7.647 573 HB2 GLU 72 2HB GLU 72 -17.354 -4.951 7.673 574 HB3 GLU 72 1HB GLU 72 -16.920 -3.606 8.746 575 HG2 GLU 72 2HG GLU 72 -17.902 -2.038 7.267 576 HG3 GLU 72 1HG GLU 72 -18.186 -3.290 6.058 577 H LYS 73 H LYS 73 -15.927 -2.399 5.146 578 HA LYS 73 HA LYS 73 -16.221 -4.443 3.140 579 HB2 LYS 73 2HB LYS 73 -16.137 -1.476 3.003 580 HB3 LYS 73 1HB LYS 73 -15.745 -2.358 1.541 581 HG2 LYS 73 2HG LYS 73 -18.069 -1.701 1.597 582 HG3 LYS 73 1HG LYS 73 -17.924 -3.458 1.599 583 HD2 LYS 73 2HD LYS 73 -18.355 -3.451 4.001 584 HD3 LYS 73 1HD LYS 73 -18.487 -1.688 3.978 585 HE2 LYS 73 2HE LYS 73 -20.263 -3.677 2.574 586 HE3 LYS 73 1HE LYS 73 -20.694 -2.660 3.944 587 HZ1 LYS 73 3HZ LYS 73 -21.540 -1.743 1.870 588 HZ2 LYS 73 1HZ LYS 73 -19.994 -1.662 1.227 589 HZ3 LYS 73 2HZ LYS 73 -20.406 -0.695 2.535 590 H LEU 74 H LEU 74 -13.541 -2.766 4.459 591 HA LEU 74 HA LEU 74 -11.670 -3.455 2.403 592 HB2 LEU 74 2HB LEU 74 -11.158 -2.977 5.354 593 HB3 LEU 74 1HB LEU 74 -9.930 -3.034 4.111 594 HG LEU 74 HG LEU 74 -12.080 -0.930 4.370 595 HD11 LEU 74 1HD1 LEU 74 -10.396 -0.776 6.117 596 HD12 LEU 74 2HD1 LEU 74 -10.227 0.550 4.966 597 HD13 LEU 74 3HD1 LEU 74 -9.118 -0.820 4.904 598 HD21 LEU 74 3HD2 LEU 74 -10.828 0.249 2.615 599 HD22 LEU 74 1HD2 LEU 74 -11.465 -1.289 2.035 600 HD23 LEU 74 2HD2 LEU 74 -9.757 -1.141 2.449 601 H GLY 75 H GLY 75 -12.964 -4.938 5.249 602 HA2 GLY 75 2HA GLY 75 -13.428 -7.349 4.840 603 HA3 GLY 75 1HA GLY 75 -11.729 -7.469 4.394 604 H ALA 76 H ALA 76 -11.740 -9.108 6.026 605 HA ALA 76 HA ALA 76 -11.946 -8.302 8.783 606 HB1 ALA 76 1HB ALA 76 -12.472 -10.619 8.113 607 HB2 ALA 76 2HB ALA 76 -11.151 -10.569 9.281 608 HB3 ALA 76 3HB ALA 76 -10.806 -10.827 7.577 609 H ASP 77 H ASP 77 -9.479 -8.840 6.396 610 HA ASP 77 HA ASP 77 -7.462 -7.828 8.294 611 HB2 ASP 77 2HB ASP 77 -7.020 -9.623 5.897 612 HB3 ASP 77 1HB ASP 77 -5.738 -8.915 6.858 613 HA PRO 78 HA PRO 78 -7.620 -4.528 5.136 614 HB2 PRO 78 2HB PRO 78 -6.380 -3.025 7.372 615 HB3 PRO 78 1HB PRO 78 -7.798 -2.606 6.408 616 HG2 PRO 78 2HG PRO 78 -8.076 -3.379 8.944 617 HG3 PRO 78 1HG PRO 78 -9.230 -3.897 7.705 618 HD2 PRO 78 2HD PRO 78 -6.927 -5.418 8.882 619 HD3 PRO 78 1HD PRO 78 -8.596 -5.959 8.580 620 H GLU 79 H GLU 79 -5.227 -5.499 7.473 621 HA GLU 79 HA GLU 79 -2.896 -4.422 6.410 622 HB2 GLU 79 2HB GLU 79 -3.183 -7.004 7.945 623 HB3 GLU 79 1HB GLU 79 -1.663 -6.211 7.617 624 HG2 GLU 79 2HG GLU 79 -2.302 -5.760 9.879 625 HG3 GLU 79 1HG GLU 79 -2.435 -4.268 8.958 626 H LEU 80 H LEU 80 -4.773 -7.066 5.351 627 HA LEU 80 HA LEU 80 -3.011 -8.641 3.878 628 HB2 LEU 80 2HB LEU 80 -5.376 -9.183 4.180 629 HB3 LEU 80 1HB LEU 80 -5.831 -7.804 3.207 630 HG LEU 80 HG LEU 80 -4.654 -8.894 1.274 631 HD11 LEU 80 1HD1 LEU 80 -4.284 -11.309 1.387 632 HD12 LEU 80 2HD1 LEU 80 -4.607 -11.267 3.121 633 HD13 LEU 80 3HD1 LEU 80 -3.216 -10.409 2.460 634 HD21 LEU 80 3HD2 LEU 80 -7.053 -8.920 1.435 635 HD22 LEU 80 1HD2 LEU 80 -6.997 -10.306 2.525 636 HD23 LEU 80 2HD2 LEU 80 -6.489 -10.485 0.848 637 H LYS 81 H LYS 81 -4.703 -5.612 2.994 638 HA LYS 81 HA LYS 81 -3.286 -5.596 0.532 639 HB2 LYS 81 2HB LYS 81 -5.639 -5.081 0.414 640 HB3 LYS 81 1HB LYS 81 -5.474 -3.849 1.658 641 HG2 LYS 81 2HG LYS 81 -5.693 -2.841 -0.519 642 HG3 LYS 81 1HG LYS 81 -4.108 -2.542 0.218 643 HD2 LYS 81 2HD LYS 81 -3.188 -4.434 -1.158 644 HD3 LYS 81 1HD LYS 81 -4.736 -4.513 -2.008 645 HE2 LYS 81 2HE LYS 81 -4.413 -2.251 -2.836 646 HE3 LYS 81 1HE LYS 81 -2.945 -2.091 -1.868 647 HZ1 LYS 81 3HZ LYS 81 -2.184 -2.578 -4.025 648 HZ2 LYS 81 1HZ LYS 81 -3.298 -3.829 -4.283 649 HZ3 LYS 81 2HZ LYS 81 -2.047 -3.983 -3.188 650 H SER 82 H SER 82 -3.127 -4.144 3.721 651 HA SER 82 HA SER 82 -1.881 -1.733 3.168 652 HB2 SER 82 2HB SER 82 -1.301 -3.516 5.535 653 HB3 SER 82 1HB SER 82 -1.114 -1.765 5.453 654 HG SER 82 HG SER 82 -3.077 -2.127 6.414 655 H THR 83 H THR 83 -0.284 -4.867 3.849 656 HA THR 83 HA THR 83 2.336 -4.053 3.577 657 HB THR 83 HB THR 83 1.068 -6.686 2.825 658 HG1 THR 83 1HG THR 83 1.946 -5.546 5.266 659 HG21 THR 83 3HG2 THR 83 3.922 -6.032 3.605 660 HG22 THR 83 1HG2 THR 83 3.380 -6.504 1.994 661 HG23 THR 83 2HG2 THR 83 3.286 -7.654 3.330 662 H GLY 84 H GLY 84 0.083 -5.203 1.065 663 HA2 GLY 84 2HA GLY 84 1.950 -5.081 -1.064 664 HA3 GLY 84 1HA GLY 84 0.199 -5.185 -1.217 665 H PHE 85 H PHE 85 -0.500 -2.887 0.147 666 HA PHE 85 HA PHE 85 -0.455 -0.952 -1.889 667 HB2 PHE 85 2HB PHE 85 -2.160 -1.257 -0.002 668 HB3 PHE 85 1HB PHE 85 -1.020 -0.406 1.025 669 HD1 PHE 85 2HD PHE 85 -3.291 -0.126 -1.820 670 HD2 PHE 85 1HD PHE 85 -0.704 2.009 0.811 671 HE1 PHE 85 2HE PHE 85 -4.227 1.973 -2.601 672 HE2 PHE 85 1HE PHE 85 -1.644 4.099 0.028 673 HZ PHE 85 HZ PHE 85 -3.424 4.096 -1.686 674 H ALA 86 H ALA 86 1.364 -1.295 1.094 675 HA ALA 86 HA ALA 86 2.796 1.108 1.042 676 HB1 ALA 86 1HB ALA 86 3.778 -1.559 2.057 677 HB2 ALA 86 2HB ALA 86 2.721 -0.483 2.950 678 HB3 ALA 86 3HB ALA 86 4.354 0.037 2.549 679 H ARG 87 H ARG 87 3.509 -2.067 -0.334 680 HA ARG 87 HA ARG 87 5.957 -1.177 -1.467 681 HB2 ARG 87 2HB ARG 87 4.443 -3.719 -1.440 682 HB3 ARG 87 1HB ARG 87 5.620 -3.485 -2.723 683 HG2 ARG 87 2HG ARG 87 6.580 -4.683 -0.819 684 HG3 ARG 87 1HG ARG 87 7.371 -3.137 -1.096 685 HD2 ARG 87 2HD ARG 87 6.054 -2.148 0.746 686 HD3 ARG 87 1HD ARG 87 5.295 -3.714 1.030 687 HE ARG 87 HE ARG 87 7.828 -4.365 1.229 688 HH11 ARG 87 1HH1 ARG 87 6.135 -1.627 2.776 689 HH12 ARG 87 2HH1 ARG 87 7.218 -1.569 4.084 690 HH21 ARG 87 1HH2 ARG 87 9.265 -4.221 3.059 691 HH22 ARG 87 2HH2 ARG 87 9.000 -2.982 4.213 692 H ASP 88 H ASP 88 2.704 -1.337 -2.551 693 HA ASP 88 HA ASP 88 3.172 -0.910 -5.315 694 HB2 ASP 88 2HB ASP 88 0.851 0.081 -3.616 695 HB3 ASP 88 1HB ASP 88 0.924 0.244 -5.359 696 H LEU 89 H LEU 89 2.570 1.302 -2.647 697 HA LEU 89 HA LEU 89 2.954 3.697 -4.045 698 HB2 LEU 89 2HB LEU 89 1.838 3.409 -1.800 699 HB3 LEU 89 1HB LEU 89 3.409 3.148 -1.096 700 HG LEU 89 HG LEU 89 2.430 5.395 -0.647 701 HD11 LEU 89 1HD1 LEU 89 5.011 5.435 -2.173 702 HD12 LEU 89 2HD1 LEU 89 4.804 5.174 -0.439 703 HD13 LEU 89 3HD1 LEU 89 4.413 6.740 -1.153 704 HD21 LEU 89 3HD2 LEU 89 2.395 7.083 -2.415 705 HD22 LEU 89 1HD2 LEU 89 1.289 5.755 -2.767 706 HD23 LEU 89 2HD2 LEU 89 2.844 5.861 -3.598 707 H ALA 90 H ALA 90 5.193 1.681 -2.194 708 HA ALA 90 HA ALA 90 7.459 3.277 -2.417 709 HB1 ALA 90 1HB ALA 90 7.299 1.357 -0.904 710 HB2 ALA 90 2HB ALA 90 8.746 1.302 -1.902 711 HB3 ALA 90 3HB ALA 90 7.370 0.267 -2.289 712 H ASP 91 H ASP 91 6.155 0.848 -4.615 713 HA ASP 91 HA ASP 91 8.392 1.017 -6.379 714 HB2 ASP 91 2HB ASP 91 6.896 -0.969 -6.264 715 HB3 ASP 91 1HB ASP 91 5.612 -0.016 -6.996 716 H TYR 92 H TYR 92 5.245 2.561 -6.180 717 HA TYR 92 HA TYR 92 5.301 4.035 -8.558 718 HB2 TYR 92 2HB TYR 92 3.929 4.382 -5.954 719 HB3 TYR 92 1HB TYR 92 4.061 5.806 -6.965 720 HD1 TYR 92 2HD TYR 92 3.072 5.746 -9.259 721 HD2 TYR 92 1HD TYR 92 2.306 2.705 -6.393 722 HE1 TYR 92 2HE TYR 92 1.050 5.107 -10.496 723 HE2 TYR 92 1HE TYR 92 0.278 2.039 -7.624 724 HH TYR 92 HH TYR 92 -1.308 2.899 -9.223 725 H ILE 93 H ILE 93 6.636 4.870 -5.362 726 HA ILE 93 HA ILE 93 7.546 7.378 -6.320 727 HB ILE 93 HB ILE 93 8.831 7.652 -4.247 728 HG12 ILE 93 2HG1 ILE 93 7.916 4.848 -3.586 729 HG13 ILE 93 1HG1 ILE 93 9.564 5.304 -3.970 730 HG21 ILE 93 1HG2 ILE 93 6.453 8.205 -4.263 731 HG22 ILE 93 2HG2 ILE 93 6.942 7.603 -2.680 732 HG23 ILE 93 3HG2 ILE 93 6.063 6.554 -3.790 733 HD11 ILE 93 3HD1 ILE 93 9.639 6.710 -1.958 734 HD12 ILE 93 1HD1 ILE 93 9.277 5.026 -1.577 735 HD13 ILE 93 2HD1 ILE 93 7.987 6.228 -1.573 736 H GLN 94 H GLN 94 8.914 4.225 -6.362 737 HA GLN 94 HA GLN 94 11.563 4.956 -7.085 738 HB2 GLN 94 2HB GLN 94 9.918 2.530 -7.804 739 HB3 GLN 94 1HB GLN 94 11.608 2.703 -8.233 740 HG2 GLN 94 2HG GLN 94 12.197 2.743 -5.856 741 HG3 GLN 94 1HG GLN 94 10.488 2.653 -5.428 742 HE21 GLN 94 1HE2 GLN 94 10.741 0.744 -4.307 743 HE22 GLN 94 2HE2 GLN 94 11.008 -0.763 -5.073 744 H GLU 95 H GLU 95 8.593 4.344 -8.937 745 HA GLU 95 HA GLU 95 9.624 4.725 -11.459 746 HB2 GLU 95 2HB GLU 95 6.858 5.116 -10.345 747 HB3 GLU 95 1HB GLU 95 7.166 5.149 -12.056 748 HG2 GLU 95 2HG GLU 95 8.056 2.805 -11.833 749 HG3 GLU 95 1HG GLU 95 7.520 2.835 -10.156 750 H GLN 96 H GLN 96 8.652 6.994 -9.019 751 HA GLN 96 HA GLN 96 8.765 9.299 -10.848 752 HB2 GLN 96 2HB GLN 96 8.390 9.365 -7.865 753 HB3 GLN 96 1HB GLN 96 7.976 10.611 -9.033 754 HG2 GLN 96 2HG GLN 96 6.634 7.949 -8.655 755 HG3 GLN 96 1HG GLN 96 5.977 9.542 -8.296 756 HE21 GLN 96 1HE2 GLN 96 5.136 7.305 -10.078 757 HE22 GLN 96 2HE2 GLN 96 4.880 8.027 -11.604 758 H GLY 97 H GLY 97 10.845 7.543 -8.879 759 HA2 GLY 97 2HA GLY 97 13.113 7.770 -8.639 760 HA3 GLY 97 1HA GLY 97 13.021 9.294 -9.506 761 H TRP 98 H TRP 98 11.080 8.659 -6.667 762 HA TRP 98 HA TRP 98 12.559 10.783 -5.294 763 HB2 TRP 98 2HB TRP 98 9.888 9.536 -4.578 764 HB3 TRP 98 1HB TRP 98 10.652 10.874 -3.737 765 HD1 TRP 98 HD TRP 98 11.406 12.609 -6.395 766 HE1 TRP 98 1HE TRP 98 9.487 13.779 -7.664 767 HE3 TRP 98 3HE TRP 98 7.460 9.878 -4.653 768 HZ2 TRP 98 2HZ TRP 98 6.698 13.607 -7.873 769 HZ3 TRP 98 3HZ TRP 98 5.188 10.457 -5.424 770 HH2 TRP 98 HH TRP 98 4.822 12.288 -6.996 771 H GLN 99 H GLN 99 12.558 10.380 -2.776 772 HA GLN 99 HA GLN 99 13.254 7.583 -2.275 773 HB2 GLN 99 2HB GLN 99 15.190 8.334 -0.924 774 HB3 GLN 99 1HB GLN 99 15.376 8.646 -2.639 775 HG2 GLN 99 2HG GLN 99 14.813 10.992 -2.254 776 HG3 GLN 99 1HG GLN 99 14.612 10.659 -0.535 777 HE21 GLN 99 1HE2 GLN 99 16.538 12.430 -1.953 778 HE22 GLN 99 2HE2 GLN 99 18.093 11.869 -1.442 779 H THR 100 H THR 100 13.450 7.146 0.080 780 HA THR 100 HA THR 100 12.197 8.979 1.854 781 HB THR 100 HB THR 100 10.240 7.782 0.738 782 HG1 THR 100 1HG THR 100 9.610 8.489 2.590 783 HG21 THR 100 3HG2 THR 100 9.783 5.448 1.418 784 HG22 THR 100 1HG2 THR 100 11.350 5.387 2.225 785 HG23 THR 100 2HG2 THR 100 11.270 5.556 0.473 786 H TYR 101 H TYR 101 12.343 8.068 4.114 787 HA TYR 101 HA TYR 101 14.587 6.201 4.170 788 HB2 TYR 101 2HB TYR 101 14.231 8.632 5.927 789 HB3 TYR 101 1HB TYR 101 15.473 7.403 6.151 790 HD1 TYR 101 2HD TYR 101 16.676 6.871 3.709 791 HD2 TYR 101 1HD TYR 101 15.039 10.582 4.985 792 HE1 TYR 101 2HE TYR 101 18.120 8.044 2.114 793 HE2 TYR 101 1HE TYR 101 16.476 11.767 3.386 794 HH TYR 101 HH TYR 101 18.098 10.172 0.898 795 H GLY 102 H GLY 102 14.218 4.456 5.174 796 HA2 GLY 102 2HA GLY 102 13.614 3.312 7.184 797 HA3 GLY 102 1HA GLY 102 12.263 4.438 7.362 798 H ASP 103 H ASP 103 11.129 2.291 7.520 799 HA ASP 103 HA ASP 103 10.713 1.052 4.913 800 HB2 ASP 103 2HB ASP 103 10.989 -0.421 6.892 801 HB3 ASP 103 1HB ASP 103 9.554 0.317 7.609 802 H VAL 104 H VAL 104 8.767 1.106 3.870 803 HA VAL 104 HA VAL 104 7.073 3.309 4.617 804 HB VAL 104 HB VAL 104 7.562 3.114 2.244 805 HG11 VAL 104 1HG1 VAL 104 6.594 1.239 0.902 806 HG12 VAL 104 2HG1 VAL 104 6.387 0.365 2.428 807 HG13 VAL 104 3HG1 VAL 104 7.994 0.852 1.894 808 HG21 VAL 104 3HG2 VAL 104 5.293 3.146 1.279 809 HG22 VAL 104 1HG2 VAL 104 5.401 4.069 2.778 810 HG23 VAL 104 2HG2 VAL 104 4.663 2.469 2.779 811 H VAL 105 H VAL 105 5.481 3.191 5.892 812 HA VAL 105 HA VAL 105 4.173 0.621 6.263 813 HB VAL 105 HB VAL 105 5.615 1.080 8.193 814 HG11 VAL 105 1HG1 VAL 105 5.199 2.955 9.718 815 HG12 VAL 105 2HG1 VAL 105 4.031 3.609 8.571 816 HG13 VAL 105 3HG1 VAL 105 5.732 3.490 8.125 817 HG21 VAL 105 3HG2 VAL 105 3.562 -0.142 8.602 818 HG22 VAL 105 1HG2 VAL 105 2.685 1.368 8.852 819 HG23 VAL 105 2HG2 VAL 105 3.943 0.883 9.987 820 H VAL 106 H VAL 106 2.075 0.612 6.055 821 HA VAL 106 HA VAL 106 0.631 3.126 6.201 822 HB VAL 106 HB VAL 106 1.089 2.699 3.801 823 HG11 VAL 106 1HG1 VAL 106 1.332 0.283 3.988 824 HG12 VAL 106 2HG1 VAL 106 0.276 0.765 2.657 825 HG13 VAL 106 3HG1 VAL 106 -0.414 0.128 4.153 826 HG21 VAL 106 3HG2 VAL 106 -1.201 2.713 2.947 827 HG22 VAL 106 1HG2 VAL 106 -1.032 3.750 4.364 828 HG23 VAL 106 2HG2 VAL 106 -1.783 2.163 4.515 829 H ARG 107 H ARG 107 -1.398 2.901 7.065 830 HA ARG 107 HA ARG 107 -2.318 0.179 7.507 831 HB2 ARG 107 2HB ARG 107 -2.780 0.437 9.805 832 HB3 ARG 107 1HB ARG 107 -1.142 1.026 9.601 833 HG2 ARG 107 2HG ARG 107 -1.953 3.330 9.704 834 HG3 ARG 107 1HG ARG 107 -3.611 2.744 9.852 835 HD2 ARG 107 2HD ARG 107 -2.861 1.493 11.912 836 HD3 ARG 107 1HD ARG 107 -1.342 2.376 11.784 837 HE ARG 107 HE ARG 107 -3.776 3.970 11.899 838 HH11 ARG 107 1HH1 ARG 107 -0.974 2.711 13.651 839 HH12 ARG 107 2HH1 ARG 107 -1.157 3.754 14.964 840 HH21 ARG 107 1HH2 ARG 107 -4.089 5.301 13.632 841 HH22 ARG 107 2HH2 ARG 107 -3.051 5.305 15.001 842 H PHE 108 H PHE 108 -4.503 -0.039 7.718 843 HA PHE 108 HA PHE 108 -6.080 2.338 7.075 844 HB2 PHE 108 2HB PHE 108 -6.605 -0.573 6.386 845 HB3 PHE 108 1HB PHE 108 -7.717 0.745 6.067 846 HD1 PHE 108 2HD PHE 108 -7.158 2.443 4.360 847 HD2 PHE 108 1HD PHE 108 -4.740 -1.004 4.966 848 HE1 PHE 108 2HE PHE 108 -6.100 2.804 2.168 849 HE2 PHE 108 1HE PHE 108 -3.681 -0.651 2.772 850 HZ PHE 108 HZ PHE 108 -4.359 1.257 1.372 851 H GLU 109 H GLU 109 -7.156 2.954 8.797 852 HA GLU 109 HA GLU 109 -8.022 0.896 10.705 853 HB2 GLU 109 2HB GLU 109 -7.784 2.526 12.501 854 HB3 GLU 109 1HB GLU 109 -6.247 2.277 11.687 855 HG2 GLU 109 2HG GLU 109 -6.530 4.382 10.500 856 HG3 GLU 109 1HG GLU 109 -8.110 4.596 11.254 857 H GLN 110 H GLN 110 -9.938 1.710 12.052 858 HA GLN 110 HA GLN 110 -11.791 2.958 10.155 859 HB2 GLN 110 2HB GLN 110 -13.587 1.906 11.382 860 HB3 GLN 110 1HB GLN 110 -12.407 0.690 10.908 861 HG2 GLN 110 2HG GLN 110 -11.517 0.632 13.129 862 HG3 GLN 110 1HG GLN 110 -12.558 1.962 13.624 863 HE21 GLN 110 1HE2 GLN 110 -13.564 0.870 15.186 864 HE22 GLN 110 2HE2 GLN 110 -14.658 -0.429 14.927 865 H SER 111 H SER 111 -13.377 4.370 10.991 866 HA SER 111 HA SER 111 -12.909 5.470 13.610 867 HB2 SER 111 2HB SER 111 -13.279 7.744 12.595 868 HB3 SER 111 1HB SER 111 -11.725 6.997 12.207 869 HG SER 111 HG SER 111 -12.881 6.225 10.242 870 H SER 112 H SER 112 -14.767 5.720 14.655 871 HA SER 112 HA SER 112 -17.217 5.005 13.390 872 HB2 SER 112 2HB SER 112 -16.657 5.949 16.203 873 HB3 SER 112 1HB SER 112 -18.100 5.094 15.643 874 HG SER 112 HG SER 112 -16.848 3.536 16.459 875 H ASN 113 H ASN 113 -15.494 7.893 13.641 876 HA ASN 113 HA ASN 113 -17.782 9.611 13.885 877 HB2 ASN 113 2HB ASN 113 -14.877 10.182 13.333 878 HB3 ASN 113 1HB ASN 113 -16.124 11.393 13.578 879 HD21 ASN 113 1HD2 ASN 113 -17.003 11.638 15.666 880 HD22 ASN 113 2HD2 ASN 113 -16.216 11.014 17.062 881 H LEU 114 H LEU 114 -16.002 8.039 11.405 882 HA LEU 114 HA LEU 114 -17.007 9.887 9.413 883 HB2 LEU 114 2HB LEU 114 -15.057 7.613 9.260 884 HB3 LEU 114 1HB LEU 114 -15.669 8.421 7.823 885 HG LEU 114 HG LEU 114 -13.984 9.626 10.022 886 HD11 LEU 114 1HD1 LEU 114 -12.775 8.148 8.502 887 HD12 LEU 114 2HD1 LEU 114 -12.298 9.831 8.304 888 HD13 LEU 114 3HD1 LEU 114 -13.374 9.076 7.124 889 HD21 LEU 114 3HD2 LEU 114 -15.133 10.897 7.536 890 HD22 LEU 114 1HD2 LEU 114 -13.927 11.637 8.591 891 HD23 LEU 114 2HD2 LEU 114 -15.538 11.296 9.207 892 H HIS 115 H HIS 115 -18.362 9.306 7.817 893 HA HIS 115 HA HIS 115 -20.025 7.028 8.472 894 HB2 HIS 115 2HB HIS 115 -20.538 9.416 6.707 895 HB3 HIS 115 1HB HIS 115 -21.700 8.132 7.009 896 HD1 HIS 115 1HD HIS 115 -23.081 8.333 9.172 897 HD2 HIS 115 2HD HIS 115 -19.998 11.102 8.902 898 HE1 HIS 115 1HE HIS 115 -23.465 10.000 11.030 899 H THR 116 H THR 116 -21.113 6.112 6.436 900 HA THR 116 HA THR 116 -19.360 4.634 4.949 901 HB THR 116 HB THR 116 -22.111 5.533 4.119 902 HG1 THR 116 1HG THR 116 -22.919 4.342 5.621 903 HG21 THR 116 3HG2 THR 116 -22.249 3.264 3.152 904 HG22 THR 116 1HG2 THR 116 -20.597 2.949 3.679 905 HG23 THR 116 2HG2 THR 116 -20.909 4.179 2.456 906 H GLY 117 H GLY 117 -17.937 5.317 3.434 907 HA2 GLY 117 2HA GLY 117 -17.580 6.067 1.200 908 HA3 GLY 117 1HA GLY 117 -18.879 7.228 1.411 909 H GLN 118 H GLN 118 -16.947 7.253 4.142 910 HA GLN 118 HA GLN 118 -15.440 9.542 3.060 911 HB2 GLN 118 2HB GLN 118 -16.411 9.117 5.883 912 HB3 GLN 118 1HB GLN 118 -15.454 10.481 5.326 913 HG2 GLN 118 2HG GLN 118 -17.292 11.125 3.829 914 HG3 GLN 118 1HG GLN 118 -18.243 9.782 4.457 915 HE21 GLN 118 1HE2 GLN 118 -16.886 12.859 5.143 916 HE22 GLN 118 2HE2 GLN 118 -17.805 13.194 6.565 917 H PHE 119 H PHE 119 -13.256 9.712 3.488 918 HA PHE 119 HA PHE 119 -12.055 7.930 5.393 919 HB2 PHE 119 2HB PHE 119 -10.602 6.772 3.894 920 HB3 PHE 119 1HB PHE 119 -12.221 6.667 3.223 921 HD1 PHE 119 2HD PHE 119 -12.865 7.997 1.238 922 HD2 PHE 119 1HD PHE 119 -8.860 7.837 2.667 923 HE1 PHE 119 2HE PHE 119 -12.058 8.841 -0.926 924 HE2 PHE 119 1HE PHE 119 -8.046 8.667 0.526 925 HZ PHE 119 HZ PHE 119 -9.644 9.179 -1.294 926 H ARG 120 H ARG 120 -9.974 8.573 5.930 927 HA ARG 120 HA ARG 120 -9.181 11.137 4.808 928 HB2 ARG 120 2HB ARG 120 -8.753 10.196 7.660 929 HB3 ARG 120 1HB ARG 120 -8.119 11.684 7.000 930 HG2 ARG 120 2HG ARG 120 -11.054 11.070 7.300 931 HG3 ARG 120 1HG ARG 120 -10.089 11.937 8.488 932 HD2 ARG 120 2HD ARG 120 -11.146 13.643 7.305 933 HD3 ARG 120 1HD ARG 120 -9.573 13.551 6.535 934 HE ARG 120 HE ARG 120 -10.981 11.972 4.941 935 HH11 ARG 120 1HH1 ARG 120 -11.942 15.105 6.301 936 HH12 ARG 120 2HH1 ARG 120 -12.867 15.563 4.948 937 HH21 ARG 120 1HH2 ARG 120 -12.317 12.593 3.117 938 HH22 ARG 120 2HH2 ARG 120 -13.081 14.109 3.111 939 H ALA 121 H ALA 121 -6.858 11.335 4.442 940 HA ALA 121 HA ALA 121 -5.267 8.986 5.096 941 HB1 ALA 121 1HB ALA 121 -5.562 10.061 2.302 942 HB2 ALA 121 2HB ALA 121 -6.172 8.508 2.883 943 HB3 ALA 121 3HB ALA 121 -4.429 8.814 2.813 944 H ARG 122 H ARG 122 -3.449 9.747 6.067 945 HA ARG 122 HA ARG 122 -2.363 12.217 5.071 946 HB2 ARG 122 2HB ARG 122 -3.449 12.286 7.305 947 HB3 ARG 122 1HB ARG 122 -2.290 11.073 7.840 948 HG2 ARG 122 2HG ARG 122 -1.368 13.056 8.536 949 HG3 ARG 122 1HG ARG 122 -0.517 12.692 7.036 950 HD2 ARG 122 2HD ARG 122 -2.752 14.692 7.427 951 HD3 ARG 122 1HD ARG 122 -1.029 14.891 7.105 952 HE ARG 122 HE ARG 122 -1.512 13.867 4.841 953 HH11 ARG 122 1HH1 ARG 122 -3.898 15.819 6.589 954 HH12 ARG 122 2HH1 ARG 122 -4.777 16.212 5.192 955 HH21 ARG 122 1HH2 ARG 122 -2.667 14.480 2.941 956 HH22 ARG 122 2HH2 ARG 122 -4.053 15.464 3.080 957 H GLY 123 H GLY 123 -0.261 12.046 4.490 958 HA2 GLY 123 2HA GLY 123 1.249 9.679 5.350 959 HA3 GLY 123 1HA GLY 123 1.484 10.510 3.809 960 H THR 124 H THR 124 3.281 10.065 6.236 961 HA THR 124 HA THR 124 4.269 12.777 6.277 962 HB THR 124 HB THR 124 3.636 11.068 8.703 963 HG1 THR 124 1HG THR 124 2.234 12.820 7.363 964 HG21 THR 124 3HG2 THR 124 4.957 13.776 8.562 965 HG22 THR 124 1HG2 THR 124 5.733 12.244 8.976 966 HG23 THR 124 2HG2 THR 124 4.493 12.924 10.049 967 H VAL 125 H VAL 125 6.549 12.813 6.674 968 HA VAL 125 HA VAL 125 7.928 10.345 6.035 969 HB VAL 125 HB VAL 125 9.089 13.096 6.581 970 HG11 VAL 125 1HG1 VAL 125 10.706 11.307 6.845 971 HG12 VAL 125 2HG1 VAL 125 11.068 12.264 5.408 972 HG13 VAL 125 3HG1 VAL 125 10.305 10.683 5.244 973 HG21 VAL 125 3HG2 VAL 125 8.553 11.850 3.888 974 HG22 VAL 125 1HG2 VAL 125 9.239 13.437 4.191 975 HG23 VAL 125 2HG2 VAL 125 7.551 13.106 4.616 976 H ASN 126 H ASN 126 8.156 9.044 7.752 977 HA ASN 126 HA ASN 126 9.196 10.238 10.202 978 HB2 ASN 126 2HB ASN 126 6.945 9.496 10.692 979 HB3 ASN 126 1HB ASN 126 7.242 7.936 9.938 980 HD21 ASN 126 1HD2 ASN 126 6.579 6.944 11.886 981 HD22 ASN 126 2HD2 ASN 126 7.672 6.814 13.223 982 HA PRO 127 HA PRO 127 12.410 7.504 8.629 983 HB2 PRO 127 2HB PRO 127 14.408 8.556 10.155 984 HB3 PRO 127 1HB PRO 127 13.866 9.286 8.639 985 HG2 PRO 127 2HG PRO 127 13.193 10.032 11.455 986 HG3 PRO 127 1HG PRO 127 13.533 11.083 10.070 987 HD2 PRO 127 2HD PRO 127 11.032 10.583 10.958 988 HD3 PRO 127 1HD PRO 127 11.394 10.912 9.252 989 H ASP 128 H ASP 128 11.359 8.040 11.893 990 HA ASP 128 HA ASP 128 12.861 5.716 12.736 991 HB2 ASP 128 2HB ASP 128 13.100 7.661 14.248 992 HB3 ASP 128 1HB ASP 128 11.358 7.632 14.526 993 H VAL 129 H VAL 129 11.686 4.590 11.499 994 HA VAL 129 HA VAL 129 9.335 3.494 12.776 995 HB VAL 129 HB VAL 129 8.584 4.534 10.691 996 HG11 VAL 129 1HG1 VAL 129 10.686 4.750 9.565 997 HG12 VAL 129 2HG1 VAL 129 9.531 3.940 8.502 998 HG13 VAL 129 3HG1 VAL 129 10.787 3.005 9.327 999 HG21 VAL 129 3HG2 VAL 129 7.723 2.586 9.450 1000 HG22 VAL 129 1HG2 VAL 129 7.571 2.377 11.196 1001 HG23 VAL 129 2HG2 VAL 129 8.857 1.550 10.320 1002 H GLU 130 H GLU 130 9.514 1.381 13.086 1003 HA GLU 130 HA GLU 130 12.022 0.331 13.378 1004 HB2 GLU 130 2HB GLU 130 11.015 -1.796 13.918 1005 HB3 GLU 130 1HB GLU 130 10.137 -0.479 14.672 1006 HG2 GLU 130 2HG GLU 130 8.438 -0.626 12.949 1007 HG3 GLU 130 1HG GLU 130 9.313 -1.944 12.186 1008 H THR 131 H THR 131 13.382 -0.655 12.210 1009 HA THR 131 HA THR 131 12.765 -1.263 9.469 1010 HB THR 131 HB THR 131 14.962 -0.232 9.927 1011 HG1 THR 131 1HG THR 131 14.728 -1.863 8.222 1012 HG21 THR 131 3HG2 THR 131 15.614 -2.733 11.508 1013 HG22 THR 131 1HG2 THR 131 15.364 -1.124 12.186 1014 HG23 THR 131 2HG2 THR 131 16.743 -1.436 11.130 1015 H HIS 132 H HIS 132 12.549 -3.259 8.633 1016 HA HIS 132 HA HIS 132 12.413 -5.458 10.552 1017 HB2 HIS 132 2HB HIS 132 10.236 -4.783 9.487 1018 HB3 HIS 132 1HB HIS 132 10.952 -5.128 7.917 1019 HD1 HIS 132 1HD HIS 132 9.203 -6.735 10.736 1020 HD2 HIS 132 2HD HIS 132 11.475 -7.919 7.472 1021 HE1 HIS 132 1HE HIS 132 8.784 -9.213 10.445 Start of MODEL 14 1 H1 MET 1 1HT MET 1 10.017 -34.056 -49.709 2 H2 MET 1 2HT MET 1 11.530 -33.513 -50.284 3 H3 MET 1 3HT MET 1 10.783 -32.728 -49.009 4 HA MET 1 HA MET 1 11.047 -34.517 -47.553 5 HB2 MET 1 2HB MET 1 12.432 -35.875 -49.888 6 HB3 MET 1 1HB MET 1 12.379 -36.491 -48.244 7 HG2 MET 1 2HG MET 1 10.051 -36.157 -50.122 8 HG3 MET 1 1HG MET 1 10.794 -37.667 -49.610 9 HE1 MET 1 2HE MET 1 7.621 -36.954 -49.426 10 HE2 MET 1 3HE MET 1 7.260 -37.713 -47.875 11 HE3 MET 1 1HE MET 1 8.332 -38.521 -49.020 12 H GLY 2 H GLY 2 13.265 -35.076 -46.601 13 HA2 GLY 2 2HA GLY 2 15.566 -34.653 -46.498 14 HA3 GLY 2 1HA GLY 2 15.357 -33.378 -47.701 15 H SER 3 H SER 3 16.007 -31.577 -46.756 16 HA SER 3 HA SER 3 14.930 -31.014 -44.093 17 HB2 SER 3 2HB SER 3 17.390 -31.452 -44.113 18 HB3 SER 3 1HB SER 3 17.590 -30.114 -45.237 19 HG SER 3 HG SER 3 17.364 -30.129 -42.575 20 H GLN 4 H GLN 4 13.829 -29.109 -43.910 21 HA GLN 4 HA GLN 4 14.187 -27.059 -45.956 22 HB2 GLN 4 2HB GLN 4 11.491 -27.997 -44.954 23 HB3 GLN 4 1HB GLN 4 11.764 -26.630 -46.016 24 HG2 GLN 4 2HG GLN 4 12.721 -28.239 -47.672 25 HG3 GLN 4 1HG GLN 4 12.159 -29.545 -46.623 26 HE21 GLN 4 1HE2 GLN 4 9.915 -29.816 -46.359 27 HE22 GLN 4 2HE2 GLN 4 8.795 -29.154 -47.493 28 H LYS 5 H LYS 5 14.365 -25.091 -45.083 29 HA LYS 5 HA LYS 5 14.216 -24.836 -42.222 30 HB2 LYS 5 2HB LYS 5 14.897 -22.793 -44.344 31 HB3 LYS 5 1HB LYS 5 14.795 -22.417 -42.641 32 HG2 LYS 5 2HG LYS 5 17.076 -22.643 -43.150 33 HG3 LYS 5 1HG LYS 5 16.625 -24.103 -42.279 34 HD2 LYS 5 2HD LYS 5 16.578 -25.373 -44.297 35 HD3 LYS 5 1HD LYS 5 16.774 -23.919 -45.279 36 HE2 LYS 5 2HE LYS 5 18.958 -23.536 -44.197 37 HE3 LYS 5 1HE LYS 5 18.769 -25.060 -43.333 38 HZ1 LYS 5 3HZ LYS 5 18.862 -24.734 -46.270 39 HZ2 LYS 5 1HZ LYS 5 18.728 -26.209 -45.437 40 HZ3 LYS 5 2HZ LYS 5 20.136 -25.264 -45.294 41 H ARG 6 H ARG 6 12.176 -25.015 -41.680 42 HA ARG 6 HA ARG 6 10.222 -23.247 -42.856 43 HB2 ARG 6 2HB ARG 6 10.052 -25.435 -40.790 44 HB3 ARG 6 1HB ARG 6 8.683 -24.396 -41.175 45 HG2 ARG 6 2HG ARG 6 8.431 -25.285 -43.284 46 HG3 ARG 6 1HG ARG 6 10.115 -25.813 -43.365 47 HD2 ARG 6 2HD ARG 6 8.086 -27.006 -41.500 48 HD3 ARG 6 1HD ARG 6 8.423 -27.637 -43.113 49 HE ARG 6 HE ARG 6 10.824 -27.347 -41.687 50 HH11 ARG 6 1HH1 ARG 6 7.972 -29.417 -41.776 51 HH12 ARG 6 2HH1 ARG 6 8.781 -30.793 -41.172 52 HH21 ARG 6 1HH2 ARG 6 11.950 -29.261 -40.911 53 HH22 ARG 6 2HH2 ARG 6 11.072 -30.690 -40.693 54 H LEU 7 H LEU 7 11.030 -21.331 -42.307 55 HA LEU 7 HA LEU 7 11.809 -20.782 -39.611 56 HB2 LEU 7 2HB LEU 7 11.672 -18.941 -41.996 57 HB3 LEU 7 1HB LEU 7 12.372 -18.533 -40.445 58 HG LEU 7 HG LEU 7 13.403 -20.623 -42.367 59 HD11 LEU 7 1HD1 LEU 7 13.810 -18.365 -43.139 60 HD12 LEU 7 2HD1 LEU 7 15.312 -19.127 -42.624 61 HD13 LEU 7 3HD1 LEU 7 14.527 -17.942 -41.581 62 HD21 LEU 7 3HD2 LEU 7 14.500 -19.727 -39.695 63 HD22 LEU 7 1HD2 LEU 7 15.328 -20.790 -40.834 64 HD23 LEU 7 2HD2 LEU 7 13.831 -21.317 -40.076 65 H VAL 8 H VAL 8 10.017 -21.067 -38.514 66 HA VAL 8 HA VAL 8 7.784 -19.327 -39.013 67 HB VAL 8 HB VAL 8 6.739 -20.453 -37.008 68 HG11 VAL 8 1HG1 VAL 8 7.741 -22.254 -39.211 69 HG12 VAL 8 2HG1 VAL 8 6.294 -21.253 -39.264 70 HG13 VAL 8 3HG1 VAL 8 6.388 -22.614 -38.144 71 HG21 VAL 8 3HG2 VAL 8 9.189 -22.236 -37.141 72 HG22 VAL 8 1HG2 VAL 8 7.782 -22.488 -36.110 73 HG23 VAL 8 2HG2 VAL 8 8.833 -21.098 -35.842 74 H GLN 9 H GLN 9 7.873 -17.361 -38.410 75 HA GLN 9 HA GLN 9 9.647 -16.635 -36.256 76 HB2 GLN 9 2HB GLN 9 8.138 -14.908 -38.224 77 HB3 GLN 9 1HB GLN 9 9.275 -14.310 -37.019 78 HG2 GLN 9 2HG GLN 9 11.035 -15.713 -38.072 79 HG3 GLN 9 1HG GLN 9 9.885 -16.128 -39.333 80 HE21 GLN 9 1HE2 GLN 9 11.848 -13.663 -37.977 81 HE22 GLN 9 2HE2 GLN 9 11.762 -12.563 -39.305 82 H ARG 10 H ARG 10 8.819 -16.863 -34.378 83 HA ARG 10 HA ARG 10 6.150 -15.855 -33.845 84 HB2 ARG 10 2HB ARG 10 5.942 -18.236 -34.303 85 HB3 ARG 10 1HB ARG 10 7.211 -18.588 -33.150 86 HG2 ARG 10 2HG ARG 10 5.790 -17.833 -31.334 87 HG3 ARG 10 1HG ARG 10 4.528 -17.400 -32.491 88 HD2 ARG 10 2HD ARG 10 5.658 -20.177 -32.101 89 HD3 ARG 10 1HD ARG 10 4.130 -19.605 -31.445 90 HE ARG 10 HE ARG 10 3.658 -19.115 -33.925 91 HH11 ARG 10 1HH1 ARG 10 5.444 -21.945 -32.733 92 HH12 ARG 10 2HH1 ARG 10 4.830 -23.009 -33.903 93 HH21 ARG 10 1HH2 ARG 10 2.857 -20.582 -35.585 94 HH22 ARG 10 2HH2 ARG 10 3.339 -22.210 -35.592 95 H VAL 11 H VAL 11 6.638 -14.296 -32.500 96 HA VAL 11 HA VAL 11 8.401 -14.929 -30.265 97 HB VAL 11 HB VAL 11 9.381 -13.164 -31.662 98 HG11 VAL 11 1HG1 VAL 11 7.445 -12.240 -32.724 99 HG12 VAL 11 2HG1 VAL 11 8.322 -10.951 -31.895 100 HG13 VAL 11 3HG1 VAL 11 6.850 -11.621 -31.186 101 HG21 VAL 11 3HG2 VAL 11 9.693 -11.400 -29.973 102 HG22 VAL 11 1HG2 VAL 11 9.809 -13.017 -29.281 103 HG23 VAL 11 2HG2 VAL 11 8.344 -12.066 -29.051 104 H GLU 12 H GLU 12 7.630 -14.605 -28.217 105 HA GLU 12 HA GLU 12 4.764 -14.275 -28.092 106 HB2 GLU 12 2HB GLU 12 6.701 -14.980 -25.880 107 HB3 GLU 12 1HB GLU 12 4.961 -14.915 -25.705 108 HG2 GLU 12 2HG GLU 12 5.627 -17.193 -25.834 109 HG3 GLU 12 1HG GLU 12 4.819 -16.791 -27.342 110 H ARG 13 H ARG 13 4.588 -12.120 -28.523 111 HA ARG 13 HA ARG 13 5.738 -10.222 -26.648 112 HB2 ARG 13 2HB ARG 13 3.682 -9.791 -28.836 113 HB3 ARG 13 1HB ARG 13 4.459 -8.519 -27.910 114 HG2 ARG 13 2HG ARG 13 5.783 -10.400 -29.852 115 HG3 ARG 13 1HG ARG 13 5.429 -8.688 -30.101 116 HD2 ARG 13 2HD ARG 13 7.301 -9.838 -28.035 117 HD3 ARG 13 1HD ARG 13 7.781 -9.040 -29.525 118 HE ARG 13 HE ARG 13 6.330 -7.131 -28.393 119 HH11 ARG 13 1HH1 ARG 13 8.790 -9.230 -26.941 120 HH12 ARG 13 2HH1 ARG 13 9.307 -8.050 -25.838 121 HH21 ARG 13 1HH2 ARG 13 7.074 -5.536 -26.846 122 HH22 ARG 13 2HH2 ARG 13 8.321 -5.956 -25.761 123 H LYS 14 H LYS 14 4.896 -10.411 -24.677 124 HA LYS 14 HA LYS 14 2.060 -10.132 -24.398 125 HB2 LYS 14 2HB LYS 14 1.986 -12.163 -22.811 126 HB3 LYS 14 1HB LYS 14 1.962 -12.449 -24.535 127 HG2 LYS 14 2HG LYS 14 3.393 -14.089 -23.534 128 HG3 LYS 14 1HG LYS 14 4.400 -12.976 -24.440 129 HD2 LYS 14 2HD LYS 14 5.477 -13.507 -22.357 130 HD3 LYS 14 1HD LYS 14 4.947 -11.826 -22.302 131 HE2 LYS 14 2HE LYS 14 3.010 -12.447 -20.990 132 HE3 LYS 14 1HE LYS 14 3.449 -14.151 -21.097 133 HZ1 LYS 14 3HZ LYS 14 4.066 -13.180 -18.993 134 HZ2 LYS 14 1HZ LYS 14 5.027 -12.027 -19.747 135 HZ3 LYS 14 2HZ LYS 14 5.444 -13.662 -19.829 136 H LEU 15 H LEU 15 1.398 -10.036 -22.105 137 HA LEU 15 HA LEU 15 3.275 -9.425 -20.108 138 HB2 LEU 15 2HB LEU 15 2.448 -7.053 -19.788 139 HB3 LEU 15 1HB LEU 15 3.494 -7.278 -21.166 140 HG LEU 15 HG LEU 15 1.365 -7.319 -22.591 141 HD11 LEU 15 1HD1 LEU 15 -0.601 -6.177 -21.710 142 HD12 LEU 15 2HD1 LEU 15 0.126 -6.161 -20.104 143 HD13 LEU 15 3HD1 LEU 15 -0.289 -7.695 -20.869 144 HD21 LEU 15 3HD2 LEU 15 2.883 -5.444 -22.571 145 HD22 LEU 15 1HD2 LEU 15 2.105 -4.805 -21.124 146 HD23 LEU 15 2HD2 LEU 15 1.212 -4.879 -22.644 147 H GLU 16 H GLU 16 1.890 -8.675 -18.120 148 HA GLU 16 HA GLU 16 -0.631 -10.125 -18.413 149 HB2 GLU 16 2HB GLU 16 -0.675 -10.493 -16.052 150 HB3 GLU 16 1HB GLU 16 0.902 -10.989 -16.640 151 HG2 GLU 16 2HG GLU 16 1.973 -9.146 -15.656 152 HG3 GLU 16 1HG GLU 16 0.458 -8.269 -15.446 153 H GLN 17 H GLN 17 -2.503 -9.216 -17.711 154 HA GLN 17 HA GLN 17 -2.375 -6.389 -17.037 155 HB2 GLN 17 2HB GLN 17 -3.849 -7.073 -18.920 156 HB3 GLN 17 1HB GLN 17 -4.708 -8.148 -17.812 157 HG2 GLN 17 2HG GLN 17 -5.940 -6.079 -18.221 158 HG3 GLN 17 1HG GLN 17 -5.469 -6.236 -16.528 159 HE21 GLN 17 1HE2 GLN 17 -4.866 -4.566 -19.511 160 HE22 GLN 17 2HE2 GLN 17 -4.022 -3.243 -18.803 161 H THR 18 H THR 18 -2.244 -6.186 -14.895 162 HA THR 18 HA THR 18 -2.931 -8.349 -13.213 163 HB THR 18 HB THR 18 -2.337 -5.546 -12.459 164 HG1 THR 18 1HG THR 18 -0.597 -7.789 -13.061 165 HG21 THR 18 3HG2 THR 18 -3.172 -6.917 -10.653 166 HG22 THR 18 1HG2 THR 18 -1.452 -6.597 -10.388 167 HG23 THR 18 2HG2 THR 18 -1.976 -8.167 -11.019 168 H VAL 19 H VAL 19 -4.913 -8.745 -13.343 169 HA VAL 19 HA VAL 19 -6.895 -6.721 -12.803 170 HB VAL 19 HB VAL 19 -8.604 -8.477 -13.383 171 HG11 VAL 19 1HG1 VAL 19 -7.847 -6.879 -15.053 172 HG12 VAL 19 2HG1 VAL 19 -8.166 -8.447 -15.793 173 HG13 VAL 19 3HG1 VAL 19 -6.504 -7.942 -15.481 174 HG21 VAL 19 3HG2 VAL 19 -7.300 -10.488 -12.872 175 HG22 VAL 19 1HG2 VAL 19 -6.182 -10.107 -14.185 176 HG23 VAL 19 2HG2 VAL 19 -7.860 -10.513 -14.544 177 H GLY 20 H GLY 20 -7.734 -6.457 -10.937 178 HA2 GLY 20 2HA GLY 20 -7.941 -8.595 -9.012 179 HA3 GLY 20 1HA GLY 20 -6.783 -7.332 -8.595 180 H ASP 21 H ASP 21 -9.841 -7.096 -10.282 181 HA ASP 21 HA ASP 21 -10.627 -4.881 -8.632 182 HB2 ASP 21 2HB ASP 21 -12.647 -4.757 -10.026 183 HB3 ASP 21 1HB ASP 21 -11.195 -4.822 -11.008 184 H ALA 22 H ALA 22 -10.548 -7.912 -7.855 185 HA ALA 22 HA ALA 22 -12.986 -8.721 -6.848 186 HB1 ALA 22 1HB ALA 22 -10.995 -10.138 -6.808 187 HB2 ALA 22 2HB ALA 22 -11.683 -9.994 -5.189 188 HB3 ALA 22 3HB ALA 22 -10.252 -9.065 -5.623 189 H PHE 23 H PHE 23 -10.685 -6.466 -5.558 190 HA PHE 23 HA PHE 23 -11.858 -6.034 -3.042 191 HB2 PHE 23 2HB PHE 23 -10.274 -4.284 -4.833 192 HB3 PHE 23 1HB PHE 23 -10.600 -3.851 -3.140 193 HD1 PHE 23 2HD PHE 23 -9.975 -6.026 -1.546 194 HD2 PHE 23 1HD PHE 23 -8.182 -5.020 -5.271 195 HE1 PHE 23 2HE PHE 23 -7.971 -7.300 -0.923 196 HE2 PHE 23 1HE PHE 23 -6.175 -6.293 -4.652 197 HZ PHE 23 HZ PHE 23 -6.068 -7.435 -2.471 198 H ALA 24 H ALA 24 -12.415 -4.556 -6.199 199 HA ALA 24 HA ALA 24 -14.186 -2.522 -5.296 200 HB1 ALA 24 1HB ALA 24 -14.766 -2.259 -7.672 201 HB2 ALA 24 2HB ALA 24 -13.919 -3.760 -8.044 202 HB3 ALA 24 3HB ALA 24 -13.020 -2.366 -7.455 203 H ARG 25 H ARG 25 -14.529 -5.845 -6.223 204 HA ARG 25 HA ARG 25 -17.363 -5.901 -6.436 205 HB2 ARG 25 2HB ARG 25 -15.539 -8.183 -5.647 206 HB3 ARG 25 1HB ARG 25 -17.144 -8.317 -6.335 207 HG2 ARG 25 2HG ARG 25 -14.666 -7.312 -7.729 208 HG3 ARG 25 1HG ARG 25 -15.471 -8.854 -7.993 209 HD2 ARG 25 2HD ARG 25 -16.698 -6.148 -8.516 210 HD3 ARG 25 1HD ARG 25 -15.961 -7.168 -9.742 211 HE ARG 25 HE ARG 25 -17.730 -8.843 -8.821 212 HH11 ARG 25 1HH1 ARG 25 -18.154 -5.400 -9.479 213 HH12 ARG 25 2HH1 ARG 25 -19.801 -5.535 -9.875 214 HH21 ARG 25 1HH2 ARG 25 -19.989 -9.028 -9.414 215 HH22 ARG 25 2HH2 ARG 25 -20.877 -7.655 -9.865 216 H ILE 26 H ILE 26 -15.067 -6.177 -3.820 217 HA ILE 26 HA ILE 26 -16.925 -7.016 -1.829 218 HB ILE 26 HB ILE 26 -14.187 -5.730 -1.517 219 HG12 ILE 26 2HG1 ILE 26 -15.013 -8.637 -1.353 220 HG13 ILE 26 1HG1 ILE 26 -14.173 -7.901 -2.712 221 HG21 ILE 26 1HG2 ILE 26 -15.544 -5.465 0.507 222 HG22 ILE 26 2HG2 ILE 26 -14.220 -6.595 0.775 223 HG23 ILE 26 3HG2 ILE 26 -15.859 -7.200 0.526 224 HD11 ILE 26 3HD1 ILE 26 -12.646 -9.161 -1.319 225 HD12 ILE 26 1HD1 ILE 26 -13.117 -8.210 0.088 226 HD13 ILE 26 2HD1 ILE 26 -12.262 -7.440 -1.246 227 H PHE 27 H PHE 27 -15.528 -3.887 -2.780 228 HA PHE 27 HA PHE 27 -16.826 -2.395 -0.762 229 HB2 PHE 27 2HB PHE 27 -15.672 -1.538 -3.414 230 HB3 PHE 27 1HB PHE 27 -16.399 -0.393 -2.303 231 HD1 PHE 27 1HD PHE 27 -15.443 -0.500 0.155 232 HD2 PHE 27 2HD PHE 27 -13.405 -1.900 -3.300 233 HE1 PHE 27 1HE PHE 27 -13.298 -0.270 1.336 234 HE2 PHE 27 2HE PHE 27 -11.256 -1.678 -2.129 235 HZ PHE 27 HZ PHE 27 -11.201 -0.864 0.192 236 H GLY 28 H GLY 28 -17.858 -3.464 -3.886 237 HA2 GLY 28 2HA GLY 28 -19.949 -3.670 -4.771 238 HA3 GLY 28 1HA GLY 28 -20.594 -3.186 -3.212 239 H GLY 29 H GLY 29 -20.993 -1.081 -2.810 240 HA2 GLY 29 2HA GLY 29 -21.282 0.582 -5.224 241 HA3 GLY 29 1HA GLY 29 -22.264 0.712 -3.771 242 H SER 30 H SER 30 -19.368 0.273 -2.529 243 HA SER 30 HA SER 30 -19.046 3.071 -2.037 244 HB2 SER 30 2HB SER 30 -17.504 0.691 -0.979 245 HB3 SER 30 1HB SER 30 -17.343 2.352 -0.402 246 HG SER 30 HG SER 30 -19.509 2.295 0.186 247 H ILE 31 H ILE 31 -16.665 3.810 -1.918 248 HA ILE 31 HA ILE 31 -15.749 4.166 -4.499 249 HB ILE 31 HB ILE 31 -15.318 5.771 -2.738 250 HG12 ILE 31 2HG1 ILE 31 -12.713 4.682 -3.836 251 HG13 ILE 31 1HG1 ILE 31 -13.808 5.757 -4.693 252 HG21 ILE 31 1HG2 ILE 31 -13.460 3.726 -1.528 253 HG22 ILE 31 2HG2 ILE 31 -14.985 4.301 -0.852 254 HG23 ILE 31 3HG2 ILE 31 -13.616 5.403 -0.999 255 HD11 ILE 31 3HD1 ILE 31 -11.920 6.975 -3.795 256 HD12 ILE 31 1HD1 ILE 31 -12.308 6.409 -2.169 257 HD13 ILE 31 2HD1 ILE 31 -13.418 7.484 -3.019 258 H VAL 32 H VAL 32 -14.214 3.336 -5.735 259 HA VAL 32 HA VAL 32 -13.342 0.661 -5.135 260 HB VAL 32 HB VAL 32 -12.560 0.615 -7.503 261 HG11 VAL 32 1HG1 VAL 32 -15.384 1.561 -7.090 262 HG12 VAL 32 2HG1 VAL 32 -14.805 -0.095 -6.932 263 HG13 VAL 32 3HG1 VAL 32 -14.792 0.697 -8.508 264 HG21 VAL 32 3HG2 VAL 32 -12.001 2.996 -7.763 265 HG22 VAL 32 1HG2 VAL 32 -13.708 3.414 -7.620 266 HG23 VAL 32 2HG2 VAL 32 -13.143 2.476 -9.003 267 HA PRO 33 HA PRO 33 -9.207 1.340 -3.852 268 HB2 PRO 33 2HB PRO 33 -7.848 -0.643 -5.180 269 HB3 PRO 33 1HB PRO 33 -8.863 -0.920 -3.760 270 HG2 PRO 33 2HG PRO 33 -9.548 -1.234 -6.659 271 HG3 PRO 33 1HG PRO 33 -9.879 -2.336 -5.312 272 HD2 PRO 33 2HD PRO 33 -11.791 -0.752 -6.235 273 HD3 PRO 33 1HD PRO 33 -11.615 -1.014 -4.493 274 H GLN 34 H GLN 34 -9.861 1.461 -7.256 275 HA GLN 34 HA GLN 34 -7.352 2.241 -8.238 276 HB2 GLN 34 2HB GLN 34 -9.296 1.683 -9.681 277 HB3 GLN 34 1HB GLN 34 -10.054 3.202 -9.218 278 HG2 GLN 34 2HG GLN 34 -9.032 3.439 -11.381 279 HG3 GLN 34 1HG GLN 34 -8.140 4.416 -10.215 280 HE21 GLN 34 1HE2 GLN 34 -6.240 4.412 -11.365 281 HE22 GLN 34 2HE2 GLN 34 -5.269 3.004 -11.580 282 H GLU 35 H GLU 35 -9.988 4.148 -6.841 283 HA GLU 35 HA GLU 35 -8.640 6.624 -7.251 284 HB2 GLU 35 2HB GLU 35 -11.095 6.490 -7.114 285 HB3 GLU 35 1HB GLU 35 -10.978 5.951 -5.451 286 HG2 GLU 35 2HG GLU 35 -11.591 8.334 -5.660 287 HG3 GLU 35 1HG GLU 35 -10.095 8.084 -4.763 288 H VAL 36 H VAL 36 -8.801 4.259 -4.725 289 HA VAL 36 HA VAL 36 -7.644 5.770 -2.668 290 HB VAL 36 HB VAL 36 -7.465 2.765 -3.123 291 HG11 VAL 36 1HG1 VAL 36 -6.832 4.358 -0.628 292 HG12 VAL 36 2HG1 VAL 36 -5.660 3.517 -1.644 293 HG13 VAL 36 3HG1 VAL 36 -6.866 2.598 -0.747 294 HG21 VAL 36 3HG2 VAL 36 -9.221 2.642 -1.430 295 HG22 VAL 36 1HG2 VAL 36 -9.750 3.612 -2.811 296 HG23 VAL 36 2HG2 VAL 36 -9.230 4.395 -1.313 297 H GLU 37 H GLU 37 -6.058 3.631 -5.093 298 HA GLU 37 HA GLU 37 -3.469 4.313 -4.153 299 HB2 GLU 37 2HB GLU 37 -2.547 3.284 -6.166 300 HB3 GLU 37 1HB GLU 37 -3.788 2.254 -5.487 301 HG2 GLU 37 2HG GLU 37 -5.325 2.843 -7.205 302 HG3 GLU 37 1HG GLU 37 -4.276 4.137 -7.776 303 H ALA 38 H ALA 38 -5.596 5.720 -6.533 304 HA ALA 38 HA ALA 38 -3.748 7.423 -7.778 305 HB1 ALA 38 1HB ALA 38 -6.703 7.854 -7.366 306 HB2 ALA 38 2HB ALA 38 -5.971 6.950 -8.692 307 HB3 ALA 38 3HB ALA 38 -5.684 8.683 -8.543 308 H LEU 39 H LEU 39 -5.944 7.938 -5.073 309 HA LEU 39 HA LEU 39 -5.126 10.565 -4.576 310 HB2 LEU 39 2HB LEU 39 -7.297 9.609 -3.867 311 HB3 LEU 39 1HB LEU 39 -6.468 8.570 -2.736 312 HG LEU 39 HG LEU 39 -6.234 11.561 -2.448 313 HD11 LEU 39 1HD1 LEU 39 -8.501 9.824 -1.468 314 HD12 LEU 39 2HD1 LEU 39 -8.624 11.110 -2.671 315 HD13 LEU 39 3HD1 LEU 39 -8.210 11.498 -1.001 316 HD21 LEU 39 3HD2 LEU 39 -4.856 10.056 -1.056 317 HD22 LEU 39 1HD2 LEU 39 -6.328 9.292 -0.469 318 HD23 LEU 39 2HD2 LEU 39 -6.009 10.990 -0.100 319 H LEU 40 H LEU 40 -4.091 7.454 -3.218 320 HA LEU 40 HA LEU 40 -2.284 8.473 -1.314 321 HB2 LEU 40 2HB LEU 40 -2.184 5.880 -2.841 322 HB3 LEU 40 1HB LEU 40 -1.121 6.270 -1.505 323 HG LEU 40 HG LEU 40 -4.118 5.990 -1.346 324 HD11 LEU 40 1HD1 LEU 40 -1.940 4.180 -0.313 325 HD12 LEU 40 2HD1 LEU 40 -2.892 3.894 -1.764 326 HD13 LEU 40 3HD1 LEU 40 -3.684 3.921 -0.191 327 HD21 LEU 40 3HD2 LEU 40 -2.042 6.454 0.801 328 HD22 LEU 40 1HD2 LEU 40 -3.747 6.099 1.086 329 HD23 LEU 40 2HD2 LEU 40 -3.286 7.592 0.281 330 H ARG 41 H ARG 41 -1.800 7.746 -4.757 331 HA ARG 41 HA ARG 41 0.921 8.170 -4.807 332 HB2 ARG 41 2HB ARG 41 -0.281 6.835 -6.370 333 HB3 ARG 41 1HB ARG 41 -1.341 8.161 -6.779 334 HG2 ARG 41 2HG ARG 41 0.308 9.245 -7.888 335 HG3 ARG 41 1HG ARG 41 1.566 8.126 -7.293 336 HD2 ARG 41 2HD ARG 41 0.875 7.579 -9.644 337 HD3 ARG 41 1HD ARG 41 0.532 6.269 -8.518 338 HE ARG 41 HE ARG 41 -1.529 8.194 -9.390 339 HH11 ARG 41 1HH1 ARG 41 -0.551 4.772 -8.960 340 HH12 ARG 41 2HH1 ARG 41 -2.050 4.140 -9.361 341 HH21 ARG 41 1HH2 ARG 41 -3.550 7.305 -10.016 342 HH22 ARG 41 2HH2 ARG 41 -3.825 5.628 -10.042 343 H ARG 42 H ARG 42 -1.918 10.341 -5.107 344 HA ARG 42 HA ARG 42 -0.430 12.569 -5.899 345 HB2 ARG 42 2HB ARG 42 -2.980 11.862 -6.111 346 HB3 ARG 42 1HB ARG 42 -3.103 12.644 -4.546 347 HG2 ARG 42 2HG ARG 42 -2.009 13.962 -7.006 348 HG3 ARG 42 1HG ARG 42 -3.689 14.076 -6.485 349 HD2 ARG 42 2HD ARG 42 -1.336 14.881 -4.809 350 HD3 ARG 42 1HD ARG 42 -2.233 15.953 -5.883 351 HE ARG 42 HE ARG 42 -4.115 14.773 -4.293 352 HH11 ARG 42 1HH1 ARG 42 -1.261 16.745 -3.659 353 HH12 ARG 42 2HH1 ARG 42 -1.852 17.430 -2.223 354 HH21 ARG 42 1HH2 ARG 42 -4.985 15.752 -2.357 355 HH22 ARG 42 2HH2 ARG 42 -4.075 16.912 -1.508 356 H GLU 43 H GLU 43 -1.581 11.161 -2.843 357 HA GLU 43 HA GLU 43 -0.823 13.201 -1.065 358 HB2 GLU 43 2HB GLU 43 -0.986 10.216 -0.658 359 HB3 GLU 43 1HB GLU 43 -0.690 11.352 0.646 360 HG2 GLU 43 2HG GLU 43 -3.141 11.330 -1.093 361 HG3 GLU 43 1HG GLU 43 -3.029 10.577 0.496 362 H ALA 44 H ALA 44 0.944 10.534 -2.467 363 HA ALA 44 HA ALA 44 3.337 10.744 -1.055 364 HB1 ALA 44 1HB ALA 44 2.949 9.991 -3.945 365 HB2 ALA 44 2HB ALA 44 2.824 8.894 -2.566 366 HB3 ALA 44 3HB ALA 44 4.376 9.640 -2.963 367 H ALA 45 H ALA 45 2.273 12.346 -4.020 368 HA ALA 45 HA ALA 45 4.612 13.972 -4.257 369 HB1 ALA 45 1HB ALA 45 3.349 15.215 -5.946 370 HB2 ALA 45 2HB ALA 45 1.869 14.391 -5.448 371 HB3 ALA 45 3HB ALA 45 3.184 13.474 -6.183 372 H ASP 46 H ASP 46 1.686 14.219 -2.497 373 HA ASP 46 HA ASP 46 1.654 17.016 -2.005 374 HB2 ASP 46 2HB ASP 46 -0.349 15.582 -1.810 375 HB3 ASP 46 1HB ASP 46 0.390 14.759 -0.445 376 H GLY 47 H GLY 47 2.817 14.237 -0.168 377 HA2 GLY 47 2HA GLY 47 3.686 15.980 2.001 378 HA3 GLY 47 1HA GLY 47 3.713 14.227 2.004 379 H ILE 48 H ILE 48 5.105 16.019 -0.633 380 HA ILE 48 HA ILE 48 7.648 14.808 -0.302 381 HB ILE 48 HB ILE 48 6.607 17.010 -2.086 382 HG12 ILE 48 2HG1 ILE 48 5.786 14.797 -2.619 383 HG13 ILE 48 1HG1 ILE 48 6.875 15.360 -3.879 384 HG21 ILE 48 1HG2 ILE 48 8.656 16.931 -3.369 385 HG22 ILE 48 2HG2 ILE 48 9.349 15.825 -2.173 386 HG23 ILE 48 3HG2 ILE 48 8.941 17.478 -1.710 387 HD11 ILE 48 3HD1 ILE 48 7.281 13.039 -3.436 388 HD12 ILE 48 1HD1 ILE 48 7.499 13.365 -1.716 389 HD13 ILE 48 2HD1 ILE 48 8.665 13.981 -2.882 390 H GLN 49 H GLN 49 9.555 15.671 0.471 391 HA GLN 49 HA GLN 49 9.359 18.317 1.698 392 HB2 GLN 49 2HB GLN 49 10.769 15.881 2.752 393 HB3 GLN 49 1HB GLN 49 11.129 17.504 3.310 394 HG2 GLN 49 2HG GLN 49 8.846 17.741 4.019 395 HG3 GLN 49 1HG GLN 49 8.490 16.101 3.470 396 HE21 GLN 49 1HE2 GLN 49 7.985 15.369 5.448 397 HE22 GLN 49 2HE2 GLN 49 9.104 15.126 6.730 398 H SER 50 H SER 50 11.135 19.566 1.646 399 HA SER 50 HA SER 50 12.794 19.213 -0.621 400 HB2 SER 50 2HB SER 50 13.729 21.422 0.202 401 HB3 SER 50 1HB SER 50 12.000 21.421 -0.146 402 HG SER 50 HG SER 50 13.040 22.260 1.981 403 H LEU 51 H LEU 51 14.734 18.469 -0.654 404 HA LEU 51 HA LEU 51 16.372 18.173 1.713 405 HB2 LEU 51 2HB LEU 51 14.892 16.106 1.467 406 HB3 LEU 51 1HB LEU 51 15.617 15.841 -0.099 407 HG LEU 51 HG LEU 51 17.783 15.346 0.967 408 HD11 LEU 51 1HD1 LEU 51 16.330 15.814 3.568 409 HD12 LEU 51 2HD1 LEU 51 17.607 16.835 2.899 410 HD13 LEU 51 3HD1 LEU 51 17.965 15.180 3.391 411 HD21 LEU 51 3HD2 LEU 51 17.165 13.279 2.066 412 HD22 LEU 51 1HD2 LEU 51 16.173 13.541 0.633 413 HD23 LEU 51 2HD2 LEU 51 15.503 13.844 2.239 414 H GLN 52 H GLN 52 18.418 16.756 0.434 415 HA GLN 52 HA GLN 52 19.831 18.446 -1.151 416 HB2 GLN 52 2HB GLN 52 19.700 15.437 -1.367 417 HB3 GLN 52 1HB GLN 52 20.950 16.429 -2.098 418 HG2 GLN 52 2HG GLN 52 21.653 17.181 0.102 419 HG3 GLN 52 1HG GLN 52 20.379 16.217 0.847 420 HE21 GLN 52 1HE2 GLN 52 23.283 16.100 1.122 421 HE22 GLN 52 2HE2 GLN 52 23.738 14.485 0.716 422 H GLY 53 H GLY 53 19.909 19.029 -3.315 423 HA2 GLY 53 2HA GLY 53 17.472 18.939 -4.721 424 HA3 GLY 53 1HA GLY 53 18.994 19.575 -5.317 425 H ASN 54 H ASN 54 19.866 16.671 -4.525 426 HA ASN 54 HA ASN 54 19.951 15.533 -7.083 427 HB2 ASN 54 2HB ASN 54 20.148 14.128 -4.407 428 HB3 ASN 54 1HB ASN 54 20.636 13.450 -5.955 429 HD21 ASN 54 1HD2 ASN 54 22.580 14.105 -6.869 430 HD22 ASN 54 2HD2 ASN 54 23.725 15.044 -5.974 431 H ARG 55 H ARG 55 17.691 15.193 -4.359 432 HA ARG 55 HA ARG 55 15.586 14.280 -5.918 433 HB2 ARG 55 2HB ARG 55 15.397 11.956 -5.029 434 HB3 ARG 55 1HB ARG 55 16.773 12.202 -6.095 435 HG2 ARG 55 2HG ARG 55 18.147 12.530 -4.024 436 HG3 ARG 55 1HG ARG 55 16.762 11.919 -3.118 437 HD2 ARG 55 2HD ARG 55 18.270 10.494 -5.295 438 HD3 ARG 55 1HD ARG 55 18.324 10.125 -3.571 439 HE ARG 55 HE ARG 55 15.681 9.983 -4.621 440 HH11 ARG 55 1HH1 ARG 55 18.736 8.182 -4.468 441 HH12 ARG 55 2HH1 ARG 55 17.994 6.663 -4.609 442 HH21 ARG 55 1HH2 ARG 55 14.657 7.824 -4.744 443 HH22 ARG 55 2HH2 ARG 55 15.689 6.470 -4.746 444 H LEU 56 H LEU 56 13.681 14.050 -4.742 445 HA LEU 56 HA LEU 56 13.647 15.628 -2.248 446 HB2 LEU 56 2HB LEU 56 11.431 14.735 -4.077 447 HB3 LEU 56 1HB LEU 56 11.307 15.875 -2.746 448 HG LEU 56 HG LEU 56 12.943 16.331 -5.245 449 HD11 LEU 56 1HD1 LEU 56 10.295 17.511 -4.452 450 HD12 LEU 56 2HD1 LEU 56 10.545 16.285 -5.689 451 HD13 LEU 56 3HD1 LEU 56 11.229 17.901 -5.898 452 HD21 LEU 56 3HD2 LEU 56 12.238 18.169 -2.951 453 HD22 LEU 56 1HD2 LEU 56 13.081 18.647 -4.425 454 HD23 LEU 56 2HD2 LEU 56 13.838 17.515 -3.309 455 H LEU 57 H LEU 57 12.454 15.067 -0.465 456 HA LEU 57 HA LEU 57 12.596 12.243 0.157 457 HB2 LEU 57 2HB LEU 57 13.399 14.090 1.710 458 HB3 LEU 57 1HB LEU 57 11.726 14.561 1.874 459 HG LEU 57 HG LEU 57 11.209 12.382 2.902 460 HD11 LEU 57 1HD1 LEU 57 14.189 11.960 2.796 461 HD12 LEU 57 2HD1 LEU 57 12.986 11.070 1.865 462 HD13 LEU 57 3HD1 LEU 57 13.021 10.929 3.626 463 HD21 LEU 57 3HD2 LEU 57 13.437 13.931 4.216 464 HD22 LEU 57 1HD2 LEU 57 12.327 12.832 5.031 465 HD23 LEU 57 2HD2 LEU 57 11.716 14.312 4.291 466 H ALA 58 H ALA 58 10.870 10.957 0.218 467 HA ALA 58 HA ALA 58 8.236 12.140 -0.257 468 HB1 ALA 58 1HB ALA 58 7.676 9.993 -1.334 469 HB2 ALA 58 2HB ALA 58 9.348 9.465 -1.101 470 HB3 ALA 58 3HB ALA 58 8.984 10.857 -2.132 471 HA PRO 59 HA PRO 59 6.521 10.346 3.463 472 HB2 PRO 59 2HB PRO 59 4.392 9.373 1.627 473 HB3 PRO 59 1HB PRO 59 4.251 10.284 3.135 474 HG2 PRO 59 2HG PRO 59 3.887 11.522 0.847 475 HG3 PRO 59 1HG PRO 59 4.851 12.288 2.124 476 HD2 PRO 59 2HD PRO 59 5.773 10.899 -0.350 477 HD3 PRO 59 1HD PRO 59 6.364 12.394 0.400 478 H ASN 60 H ASN 60 6.554 8.378 4.474 479 HA ASN 60 HA ASN 60 6.619 5.999 2.764 480 HB2 ASN 60 2HB ASN 60 8.146 4.879 4.245 481 HB3 ASN 60 1HB ASN 60 8.844 6.441 3.844 482 HD21 ASN 60 1HD2 ASN 60 9.142 4.538 6.087 483 HD22 ASN 60 2HD2 ASN 60 8.926 5.453 7.535 484 H GLU 61 H GLU 61 5.300 7.581 5.529 485 HA GLU 61 HA GLU 61 3.887 5.164 6.345 486 HB2 GLU 61 2HB GLU 61 5.071 6.437 8.116 487 HB3 GLU 61 1HB GLU 61 4.139 7.867 7.695 488 HG2 GLU 61 2HG GLU 61 2.068 6.594 8.309 489 HG3 GLU 61 1HG GLU 61 3.111 5.306 8.899 490 H TYR 62 H TYR 62 2.040 4.921 5.364 491 HA TYR 62 HA TYR 62 0.417 7.293 4.712 492 HB2 TYR 62 2HB TYR 62 0.463 4.575 3.388 493 HB3 TYR 62 1HB TYR 62 -0.671 5.857 2.987 494 HD1 TYR 62 1HD TYR 62 2.842 4.766 2.800 495 HD2 TYR 62 2HD TYR 62 0.026 7.725 1.610 496 HE1 TYR 62 1HE TYR 62 4.446 5.620 1.147 497 HE2 TYR 62 2HE TYR 62 1.628 8.580 -0.054 498 HH TYR 62 HH TYR 62 4.162 8.562 -0.362 499 H ILE 63 H ILE 63 -1.160 7.571 6.032 500 HA ILE 63 HA ILE 63 -2.310 5.226 7.364 501 HB ILE 63 HB ILE 63 -2.438 8.141 8.231 502 HG12 ILE 63 2HG1 ILE 63 -0.920 5.806 9.431 503 HG13 ILE 63 1HG1 ILE 63 -0.203 7.120 8.512 504 HG21 ILE 63 1HG2 ILE 63 -3.463 5.645 9.608 505 HG22 ILE 63 2HG2 ILE 63 -4.455 6.913 8.889 506 HG23 ILE 63 3HG2 ILE 63 -3.463 7.266 10.303 507 HD11 ILE 63 3HD1 ILE 63 -0.899 8.699 10.254 508 HD12 ILE 63 1HD1 ILE 63 0.140 7.422 10.888 509 HD13 ILE 63 2HD1 ILE 63 -1.596 7.359 11.170 510 H ILE 64 H ILE 64 -4.205 4.611 6.682 511 HA ILE 64 HA ILE 64 -5.900 6.573 5.306 512 HB ILE 64 HB ILE 64 -5.818 3.563 4.856 513 HG12 ILE 64 2HG1 ILE 64 -4.897 5.743 2.993 514 HG13 ILE 64 1HG1 ILE 64 -3.785 4.862 4.047 515 HG21 ILE 64 1HG2 ILE 64 -8.008 4.596 4.460 516 HG22 ILE 64 2HG2 ILE 64 -7.283 4.070 2.938 517 HG23 ILE 64 3HG2 ILE 64 -7.267 5.780 3.386 518 HD11 ILE 64 3HD1 ILE 64 -5.443 3.782 1.778 519 HD12 ILE 64 1HD1 ILE 64 -4.482 2.789 2.889 520 HD13 ILE 64 2HD1 ILE 64 -3.685 3.979 1.875 521 H THR 65 H THR 65 -7.777 6.913 6.234 522 HA THR 65 HA THR 65 -8.622 5.087 8.359 523 HB THR 65 HB THR 65 -8.987 8.082 8.281 524 HG1 THR 65 1HG THR 65 -6.833 6.613 8.762 525 HG21 THR 65 3HG2 THR 65 -9.487 7.753 10.674 526 HG22 THR 65 1HG2 THR 65 -9.319 6.014 10.466 527 HG23 THR 65 2HG2 THR 65 -10.621 6.874 9.650 528 H LEU 66 H LEU 66 -10.495 4.210 7.913 529 HA LEU 66 HA LEU 66 -12.336 5.493 6.002 530 HB2 LEU 66 2HB LEU 66 -11.805 2.635 6.720 531 HB3 LEU 66 1HB LEU 66 -13.373 3.074 6.101 532 HG LEU 66 HG LEU 66 -11.915 2.139 4.353 533 HD11 LEU 66 1HD1 LEU 66 -12.212 3.852 2.682 534 HD12 LEU 66 2HD1 LEU 66 -12.585 5.002 3.968 535 HD13 LEU 66 3HD1 LEU 66 -13.638 3.623 3.695 536 HD21 LEU 66 3HD2 LEU 66 -9.754 2.908 5.211 537 HD22 LEU 66 1HD2 LEU 66 -10.219 4.563 4.829 538 HD23 LEU 66 2HD2 LEU 66 -9.998 3.387 3.529 539 H GLY 67 H GLY 67 -14.684 4.997 6.418 540 HA2 GLY 67 2HA GLY 67 -15.442 5.661 9.068 541 HA3 GLY 67 1HA GLY 67 -16.524 5.158 7.762 542 H VAL 68 H VAL 68 -17.060 4.215 10.218 543 HA VAL 68 HA VAL 68 -15.635 1.867 10.890 544 HB VAL 68 HB VAL 68 -16.839 3.053 12.566 545 HG11 VAL 68 1HG1 VAL 68 -18.753 3.886 11.347 546 HG12 VAL 68 2HG1 VAL 68 -19.313 2.997 12.764 547 HG13 VAL 68 3HG1 VAL 68 -19.392 2.252 11.168 548 HG21 VAL 68 3HG2 VAL 68 -18.010 1.202 13.719 549 HG22 VAL 68 1HG2 VAL 68 -16.462 0.720 13.023 550 HG23 VAL 68 2HG2 VAL 68 -17.965 0.280 12.213 551 H HIS 69 H HIS 69 -18.533 2.364 9.002 552 HA HIS 69 HA HIS 69 -19.040 -0.427 8.651 553 HB2 HIS 69 2HB HIS 69 -20.840 1.290 8.551 554 HB3 HIS 69 1HB HIS 69 -20.095 1.958 7.109 555 HD1 HIS 69 1HD HIS 69 -22.127 -0.979 8.284 556 HD2 HIS 69 2HD HIS 69 -20.623 0.599 4.758 557 HE1 HIS 69 1HE HIS 69 -23.261 -2.229 6.431 558 H ASP 70 H ASP 70 -17.187 2.031 7.041 559 HA ASP 70 HA ASP 70 -16.785 0.440 4.702 560 HB2 ASP 70 2HB ASP 70 -15.464 2.989 5.597 561 HB3 ASP 70 1HB ASP 70 -14.963 2.107 4.154 562 H PHE 71 H PHE 71 -15.137 0.870 7.730 563 HA PHE 71 HA PHE 71 -12.854 -0.586 6.989 564 HB2 PHE 71 2HB PHE 71 -13.151 0.889 8.996 565 HB3 PHE 71 1HB PHE 71 -14.125 -0.385 9.726 566 HD1 PHE 71 1HD PHE 71 -10.806 0.497 8.485 567 HD2 PHE 71 2HD PHE 71 -13.091 -2.228 10.770 568 HE1 PHE 71 1HE PHE 71 -8.718 -0.502 9.352 569 HE2 PHE 71 2HE PHE 71 -11.031 -3.250 11.648 570 HZ PHE 71 HZ PHE 71 -8.834 -2.384 10.937 571 H GLU 72 H GLU 72 -16.091 -1.424 8.005 572 HA GLU 72 HA GLU 72 -15.671 -4.169 8.379 573 HB2 GLU 72 2HB GLU 72 -18.149 -2.632 7.618 574 HB3 GLU 72 1HB GLU 72 -18.135 -4.352 7.969 575 HG2 GLU 72 2HG GLU 72 -17.230 -2.229 9.906 576 HG3 GLU 72 1HG GLU 72 -18.864 -2.870 9.860 577 H LYS 73 H LYS 73 -16.095 -2.234 5.520 578 HA LYS 73 HA LYS 73 -16.479 -4.391 3.656 579 HB2 LYS 73 2HB LYS 73 -16.063 -1.521 3.469 580 HB3 LYS 73 1HB LYS 73 -15.059 -2.365 2.312 581 HG2 LYS 73 2HG LYS 73 -17.092 -1.760 1.223 582 HG3 LYS 73 1HG LYS 73 -17.101 -3.505 1.446 583 HD2 LYS 73 2HD LYS 73 -19.292 -2.594 1.936 584 HD3 LYS 73 1HD LYS 73 -18.551 -3.198 3.420 585 HE2 LYS 73 2HE LYS 73 -19.675 -1.046 3.742 586 HE3 LYS 73 1HE LYS 73 -17.956 -0.959 4.088 587 HZ1 LYS 73 3HZ LYS 73 -17.760 -0.067 1.702 588 HZ2 LYS 73 1HZ LYS 73 -18.454 0.973 2.811 589 HZ3 LYS 73 2HZ LYS 73 -19.411 0.128 1.728 590 H LEU 74 H LEU 74 -13.725 -2.758 5.040 591 HA LEU 74 HA LEU 74 -11.707 -4.073 3.505 592 HB2 LEU 74 2HB LEU 74 -11.503 -2.917 6.297 593 HB3 LEU 74 1HB LEU 74 -10.155 -3.320 5.254 594 HG LEU 74 HG LEU 74 -12.170 -1.124 4.765 595 HD11 LEU 74 1HD1 LEU 74 -9.275 -0.999 5.557 596 HD12 LEU 74 2HD1 LEU 74 -10.658 -0.628 6.588 597 HD13 LEU 74 3HD1 LEU 74 -10.310 0.379 5.184 598 HD21 LEU 74 3HD2 LEU 74 -10.680 -0.473 2.917 599 HD22 LEU 74 1HD2 LEU 74 -11.373 -2.075 2.655 600 HD23 LEU 74 2HD2 LEU 74 -9.708 -1.918 3.201 601 H GLY 75 H GLY 75 -13.437 -4.727 6.412 602 HA2 GLY 75 2HA GLY 75 -14.181 -6.801 7.041 603 HA3 GLY 75 1HA GLY 75 -12.998 -7.544 5.995 604 H ALA 76 H ALA 76 -11.974 -8.848 7.246 605 HA ALA 76 HA ALA 76 -11.248 -8.077 9.958 606 HB1 ALA 76 1HB ALA 76 -10.646 -10.440 10.216 607 HB2 ALA 76 2HB ALA 76 -10.967 -10.705 8.505 608 HB3 ALA 76 3HB ALA 76 -12.282 -10.259 9.590 609 H ASP 77 H ASP 77 -10.026 -7.708 6.985 610 HA ASP 77 HA ASP 77 -7.258 -8.085 7.869 611 HB2 ASP 77 2HB ASP 77 -7.620 -9.621 6.110 612 HB3 ASP 77 1HB ASP 77 -8.428 -8.403 5.122 613 HA PRO 78 HA PRO 78 -7.019 -3.704 6.799 614 HB2 PRO 78 2HB PRO 78 -4.995 -3.622 8.895 615 HB3 PRO 78 1HB PRO 78 -6.495 -2.698 8.781 616 HG2 PRO 78 2HG PRO 78 -6.097 -4.641 10.640 617 HG3 PRO 78 1HG PRO 78 -7.697 -4.253 9.977 618 HD2 PRO 78 2HD PRO 78 -5.828 -6.476 9.243 619 HD3 PRO 78 1HD PRO 78 -7.594 -6.518 9.468 620 H GLU 79 H GLU 79 -4.588 -6.149 7.602 621 HA GLU 79 HA GLU 79 -2.459 -4.535 6.557 622 HB2 GLU 79 2HB GLU 79 -2.436 -7.065 8.100 623 HB3 GLU 79 1HB GLU 79 -0.980 -6.270 7.512 624 HG2 GLU 79 2HG GLU 79 -1.479 -4.299 8.795 625 HG3 GLU 79 1HG GLU 79 -3.036 -4.974 9.284 626 H LEU 80 H LEU 80 -3.979 -7.536 5.310 627 HA LEU 80 HA LEU 80 -1.728 -8.143 3.686 628 HB2 LEU 80 2HB LEU 80 -3.501 -9.809 4.134 629 HB3 LEU 80 1HB LEU 80 -4.648 -8.831 3.244 630 HG LEU 80 HG LEU 80 -3.326 -9.216 1.180 631 HD11 LEU 80 1HD1 LEU 80 -1.149 -9.628 2.170 632 HD12 LEU 80 2HD1 LEU 80 -1.637 -10.983 1.158 633 HD13 LEU 80 3HD1 LEU 80 -1.746 -11.109 2.912 634 HD21 LEU 80 3HD2 LEU 80 -3.999 -11.556 0.877 635 HD22 LEU 80 1HD2 LEU 80 -5.257 -10.608 1.671 636 HD23 LEU 80 2HD2 LEU 80 -4.250 -11.702 2.617 637 H LYS 81 H LYS 81 -4.674 -6.364 3.172 638 HA LYS 81 HA LYS 81 -4.048 -5.475 0.575 639 HB2 LYS 81 2HB LYS 81 -5.867 -4.306 2.674 640 HB3 LYS 81 1HB LYS 81 -5.727 -3.637 1.054 641 HG2 LYS 81 2HG LYS 81 -6.458 -5.753 0.094 642 HG3 LYS 81 1HG LYS 81 -6.568 -6.455 1.704 643 HD2 LYS 81 2HD LYS 81 -8.147 -4.036 0.849 644 HD3 LYS 81 1HD LYS 81 -8.740 -5.681 0.667 645 HE2 LYS 81 2HE LYS 81 -7.935 -4.385 3.269 646 HE3 LYS 81 1HE LYS 81 -9.589 -4.610 2.704 647 HZ1 LYS 81 3HZ LYS 81 -9.040 -6.311 4.228 648 HZ2 LYS 81 1HZ LYS 81 -7.649 -6.776 3.406 649 HZ3 LYS 81 2HZ LYS 81 -9.171 -7.030 2.715 650 H SER 82 H SER 82 -3.147 -4.258 3.725 651 HA SER 82 HA SER 82 -2.048 -1.799 2.877 652 HB2 SER 82 2HB SER 82 -1.199 -3.556 5.199 653 HB3 SER 82 1HB SER 82 -0.734 -1.873 4.976 654 HG SER 82 HG SER 82 -3.424 -2.791 5.267 655 H THR 83 H THR 83 -0.681 -5.047 3.148 656 HA THR 83 HA THR 83 1.957 -4.426 2.522 657 HB THR 83 HB THR 83 0.414 -6.983 1.986 658 HG1 THR 83 1HG THR 83 0.338 -6.426 4.185 659 HG21 THR 83 3HG2 THR 83 2.611 -8.081 2.126 660 HG22 THR 83 1HG2 THR 83 3.385 -6.507 2.320 661 HG23 THR 83 2HG2 THR 83 2.575 -6.907 0.806 662 H GLY 84 H GLY 84 -0.798 -5.225 0.413 663 HA2 GLY 84 2HA GLY 84 0.581 -5.264 -2.038 664 HA3 GLY 84 1HA GLY 84 -1.134 -4.935 -1.834 665 H PHE 85 H PHE 85 -1.249 -2.620 -0.501 666 HA PHE 85 HA PHE 85 -0.634 -0.721 -2.482 667 HB2 PHE 85 2HB PHE 85 -1.646 -0.430 0.327 668 HB3 PHE 85 1HB PHE 85 -1.231 0.988 -0.625 669 HD1 PHE 85 2HD PHE 85 -2.507 1.569 -2.608 670 HD2 PHE 85 1HD PHE 85 -3.627 -1.726 -0.162 671 HE1 PHE 85 2HE PHE 85 -4.721 1.552 -3.663 672 HE2 PHE 85 1HE PHE 85 -5.851 -1.758 -1.213 673 HZ PHE 85 HZ PHE 85 -6.405 -0.116 -2.970 674 H ALA 86 H ALA 86 1.008 -1.498 0.532 675 HA ALA 86 HA ALA 86 2.805 0.650 0.558 676 HB1 ALA 86 1HB ALA 86 3.296 -2.145 1.581 677 HB2 ALA 86 2HB ALA 86 2.453 -0.872 2.456 678 HB3 ALA 86 3HB ALA 86 4.158 -0.681 2.064 679 H ARG 87 H ARG 87 3.064 -2.551 -0.890 680 HA ARG 87 HA ARG 87 5.714 -2.248 -1.776 681 HB2 ARG 87 2HB ARG 87 4.571 -4.434 -1.518 682 HB3 ARG 87 1HB ARG 87 3.556 -4.039 -2.894 683 HG2 ARG 87 2HG ARG 87 5.354 -5.532 -3.550 684 HG3 ARG 87 1HG ARG 87 5.524 -3.960 -4.337 685 HD2 ARG 87 2HD ARG 87 7.170 -3.289 -2.664 686 HD3 ARG 87 1HD ARG 87 6.980 -4.852 -1.865 687 HE ARG 87 HE ARG 87 7.679 -5.112 -4.604 688 HH11 ARG 87 1HH1 ARG 87 9.119 -4.553 -1.386 689 HH12 ARG 87 2HH1 ARG 87 10.681 -4.971 -1.903 690 HH21 ARG 87 1HH2 ARG 87 9.773 -5.655 -5.240 691 HH22 ARG 87 2HH2 ARG 87 11.084 -5.636 -4.134 692 H ASP 88 H ASP 88 2.635 -1.689 -3.280 693 HA ASP 88 HA ASP 88 3.651 -1.121 -5.873 694 HB2 ASP 88 2HB ASP 88 1.252 -1.759 -5.298 695 HB3 ASP 88 1HB ASP 88 1.023 -0.095 -4.783 696 H LEU 89 H LEU 89 2.759 0.970 -3.146 697 HA LEU 89 HA LEU 89 3.368 3.389 -4.457 698 HB2 LEU 89 2HB LEU 89 3.182 2.685 -1.550 699 HB3 LEU 89 1HB LEU 89 3.552 4.304 -2.107 700 HG LEU 89 HG LEU 89 1.021 2.792 -2.751 701 HD11 LEU 89 1HD1 LEU 89 1.533 5.042 -0.816 702 HD12 LEU 89 2HD1 LEU 89 1.158 3.373 -0.391 703 HD13 LEU 89 3HD1 LEU 89 -0.045 4.366 -1.220 704 HD21 LEU 89 3HD2 LEU 89 1.864 5.643 -3.293 705 HD22 LEU 89 1HD2 LEU 89 0.245 4.995 -3.574 706 HD23 LEU 89 2HD2 LEU 89 1.620 4.387 -4.496 707 H ALA 90 H ALA 90 5.329 1.174 -2.609 708 HA ALA 90 HA ALA 90 7.622 2.755 -2.341 709 HB1 ALA 90 1HB ALA 90 7.309 0.614 -1.184 710 HB2 ALA 90 2HB ALA 90 8.840 0.664 -2.058 711 HB3 ALA 90 3HB ALA 90 7.474 -0.239 -2.719 712 H ASP 91 H ASP 91 6.492 0.731 -4.954 713 HA ASP 91 HA ASP 91 8.833 1.057 -6.539 714 HB2 ASP 91 2HB ASP 91 7.193 -0.811 -6.864 715 HB3 ASP 91 1HB ASP 91 6.058 0.362 -7.528 716 H TYR 92 H TYR 92 5.686 2.626 -6.471 717 HA TYR 92 HA TYR 92 6.000 4.456 -8.531 718 HB2 TYR 92 2HB TYR 92 4.407 4.538 -6.019 719 HB3 TYR 92 1HB TYR 92 4.542 5.986 -7.002 720 HD1 TYR 92 2HD TYR 92 4.233 5.449 -9.578 721 HD2 TYR 92 1HD TYR 92 2.529 3.264 -6.387 722 HE1 TYR 92 2HE TYR 92 2.422 4.701 -11.077 723 HE2 TYR 92 1HE TYR 92 0.714 2.508 -7.852 724 HH TYR 92 HH TYR 92 0.814 2.888 -11.211 725 H ILE 93 H ILE 93 6.683 5.080 -5.089 726 HA ILE 93 HA ILE 93 7.625 7.645 -5.561 727 HB ILE 93 HB ILE 93 8.765 7.586 -3.360 728 HG12 ILE 93 2HG1 ILE 93 7.932 4.668 -3.279 729 HG13 ILE 93 1HG1 ILE 93 9.579 5.237 -3.478 730 HG21 ILE 93 1HG2 ILE 93 6.014 6.355 -3.374 731 HG22 ILE 93 2HG2 ILE 93 6.384 8.076 -3.447 732 HG23 ILE 93 3HG2 ILE 93 6.761 7.151 -1.992 733 HD11 ILE 93 3HD1 ILE 93 9.492 6.272 -1.254 734 HD12 ILE 93 1HD1 ILE 93 9.176 4.538 -1.195 735 HD13 ILE 93 2HD1 ILE 93 7.841 5.679 -1.060 736 H GLN 94 H GLN 94 9.362 4.597 -5.697 737 HA GLN 94 HA GLN 94 11.919 5.734 -6.050 738 HB2 GLN 94 2HB GLN 94 10.824 3.042 -6.770 739 HB3 GLN 94 1HB GLN 94 12.497 3.500 -7.056 740 HG2 GLN 94 2HG GLN 94 12.774 3.904 -4.647 741 HG3 GLN 94 1HG GLN 94 11.093 3.449 -4.381 742 HE21 GLN 94 1HE2 GLN 94 10.513 1.320 -4.541 743 HE22 GLN 94 2HE2 GLN 94 11.656 0.025 -4.529 744 H GLU 95 H GLU 95 9.358 4.854 -8.377 745 HA GLU 95 HA GLU 95 10.877 5.181 -10.667 746 HB2 GLU 95 2HB GLU 95 7.953 5.608 -10.152 747 HB3 GLU 95 1HB GLU 95 8.654 5.674 -11.750 748 HG2 GLU 95 2HG GLU 95 9.428 3.311 -11.344 749 HG3 GLU 95 1HG GLU 95 8.407 3.340 -9.901 750 H GLN 96 H GLN 96 9.167 7.397 -8.620 751 HA GLN 96 HA GLN 96 9.376 9.677 -10.358 752 HB2 GLN 96 2HB GLN 96 8.830 9.623 -7.397 753 HB3 GLN 96 1HB GLN 96 8.456 10.922 -8.520 754 HG2 GLN 96 2HG GLN 96 7.225 8.178 -8.478 755 HG3 GLN 96 1HG GLN 96 6.460 9.682 -7.976 756 HE21 GLN 96 1HE2 GLN 96 5.833 7.680 -10.068 757 HE22 GLN 96 2HE2 GLN 96 5.676 8.604 -11.510 758 H GLY 97 H GLY 97 11.521 8.097 -8.306 759 HA2 GLY 97 2HA GLY 97 13.795 8.564 -8.174 760 HA3 GLY 97 1HA GLY 97 13.469 10.200 -8.733 761 H TRP 98 H TRP 98 11.351 9.315 -6.282 762 HA TRP 98 HA TRP 98 12.663 11.187 -4.521 763 HB2 TRP 98 2HB TRP 98 10.131 9.593 -4.049 764 HB3 TRP 98 1HB TRP 98 10.718 10.959 -3.106 765 HD1 TRP 98 HD TRP 98 11.331 12.931 -5.605 766 HE1 TRP 98 1HE TRP 98 9.334 13.970 -6.869 767 HE3 TRP 98 3HE TRP 98 7.664 9.653 -4.216 768 HZ2 TRP 98 2HZ TRP 98 6.594 13.499 -7.207 769 HZ3 TRP 98 3HZ TRP 98 5.375 10.030 -5.043 770 HH2 TRP 98 HH TRP 98 4.855 11.910 -6.508 771 H GLN 99 H GLN 99 12.885 10.577 -2.166 772 HA GLN 99 HA GLN 99 13.557 7.745 -1.809 773 HB2 GLN 99 2HB GLN 99 15.611 8.349 -0.600 774 HB3 GLN 99 1HB GLN 99 15.668 8.897 -2.266 775 HG2 GLN 99 2HG GLN 99 15.148 11.175 -1.545 776 HG3 GLN 99 1HG GLN 99 15.051 10.624 0.129 777 HE21 GLN 99 1HE2 GLN 99 16.838 12.593 -1.112 778 HE22 GLN 99 2HE2 GLN 99 18.440 12.022 -0.836 779 H THR 100 H THR 100 13.800 7.241 0.604 780 HA THR 100 HA THR 100 12.595 9.126 2.361 781 HB THR 100 HB THR 100 10.644 8.008 1.181 782 HG1 THR 100 1HG THR 100 9.828 8.585 2.936 783 HG21 THR 100 3HG2 THR 100 10.083 5.682 1.797 784 HG22 THR 100 1HG2 THR 100 11.624 5.544 2.646 785 HG23 THR 100 2HG2 THR 100 11.597 5.759 0.895 786 H TYR 101 H TYR 101 12.427 7.934 4.615 787 HA TYR 101 HA TYR 101 14.841 6.262 4.807 788 HB2 TYR 101 2HB TYR 101 13.535 7.963 6.955 789 HB3 TYR 101 1HB TYR 101 14.968 6.970 7.175 790 HD1 TYR 101 2HD TYR 101 17.026 7.539 5.733 791 HD2 TYR 101 1HD TYR 101 13.741 10.187 6.268 792 HE1 TYR 101 2HE TYR 101 18.441 9.428 5.042 793 HE2 TYR 101 1HE TYR 101 15.146 12.078 5.580 794 HH TYR 101 HH TYR 101 17.526 12.630 5.525 795 H GLY 102 H GLY 102 14.451 4.227 5.184 796 HA2 GLY 102 2HA GLY 102 13.442 2.521 6.527 797 HA3 GLY 102 1HA GLY 102 11.991 3.529 6.617 798 H ASP 103 H ASP 103 10.717 1.913 5.819 799 HA ASP 103 HA ASP 103 10.833 1.663 2.907 800 HB2 ASP 103 2HB ASP 103 9.889 -0.440 4.895 801 HB3 ASP 103 1HB ASP 103 9.639 -0.528 3.165 802 H VAL 104 H VAL 104 8.431 1.000 2.242 803 HA VAL 104 HA VAL 104 6.821 3.130 3.307 804 HB VAL 104 HB VAL 104 6.237 1.142 1.088 805 HG11 VAL 104 1HG1 VAL 104 4.720 3.627 1.887 806 HG12 VAL 104 2HG1 VAL 104 4.156 1.969 2.071 807 HG13 VAL 104 3HG1 VAL 104 4.393 2.646 0.459 808 HG21 VAL 104 3HG2 VAL 104 8.068 2.641 0.557 809 HG22 VAL 104 1HG2 VAL 104 7.078 4.033 0.999 810 HG23 VAL 104 2HG2 VAL 104 6.637 3.047 -0.395 811 H VAL 105 H VAL 105 5.287 2.954 4.740 812 HA VAL 105 HA VAL 105 4.129 0.355 5.283 813 HB VAL 105 HB VAL 105 3.980 0.978 7.724 814 HG11 VAL 105 1HG1 VAL 105 6.774 0.776 6.611 815 HG12 VAL 105 2HG1 VAL 105 5.696 -0.568 6.988 816 HG13 VAL 105 3HG1 VAL 105 6.315 0.454 8.283 817 HG21 VAL 105 3HG2 VAL 105 4.263 3.396 7.558 818 HG22 VAL 105 1HG2 VAL 105 5.908 3.179 6.951 819 HG23 VAL 105 2HG2 VAL 105 5.511 2.710 8.603 820 H VAL 106 H VAL 106 2.005 0.366 5.249 821 HA VAL 106 HA VAL 106 0.601 2.902 5.501 822 HB VAL 106 HB VAL 106 0.797 2.454 3.066 823 HG11 VAL 106 1HG1 VAL 106 -0.616 -0.124 3.593 824 HG12 VAL 106 2HG1 VAL 106 1.102 0.057 3.324 825 HG13 VAL 106 3HG1 VAL 106 -0.037 0.482 2.033 826 HG21 VAL 106 3HG2 VAL 106 -1.537 2.398 2.420 827 HG22 VAL 106 1HG2 VAL 106 -1.303 3.462 3.812 828 HG23 VAL 106 2HG2 VAL 106 -1.982 1.843 4.034 829 H ARG 107 H ARG 107 -1.443 2.667 6.439 830 HA ARG 107 HA ARG 107 -2.297 0.005 7.094 831 HB2 ARG 107 2HB ARG 107 -0.645 0.403 8.806 832 HB3 ARG 107 1HB ARG 107 -1.394 1.934 9.229 833 HG2 ARG 107 2HG ARG 107 -2.997 -0.566 9.507 834 HG3 ARG 107 1HG ARG 107 -1.711 -0.262 10.672 835 HD2 ARG 107 2HD ARG 107 -3.967 1.620 10.019 836 HD3 ARG 107 1HD ARG 107 -3.893 0.587 11.443 837 HE ARG 107 HE ARG 107 -1.750 2.533 10.961 838 HH11 ARG 107 1HH1 ARG 107 -4.374 1.391 13.044 839 HH12 ARG 107 2HH1 ARG 107 -4.126 2.589 14.218 840 HH21 ARG 107 1HH2 ARG 107 -1.360 4.070 12.582 841 HH22 ARG 107 2HH2 ARG 107 -2.317 4.139 13.987 842 H PHE 108 H PHE 108 -4.333 -0.163 7.485 843 HA PHE 108 HA PHE 108 -6.014 2.186 7.042 844 HB2 PHE 108 2HB PHE 108 -6.642 -0.771 6.944 845 HB3 PHE 108 1HB PHE 108 -7.807 0.504 6.640 846 HD1 PHE 108 2HD PHE 108 -4.704 -1.063 5.377 847 HD2 PHE 108 1HD PHE 108 -7.996 1.477 4.506 848 HE1 PHE 108 2HE PHE 108 -4.119 -1.134 2.986 849 HE2 PHE 108 1HE PHE 108 -7.418 1.415 2.113 850 HZ PHE 108 HZ PHE 108 -5.474 0.105 1.352 851 H GLU 109 H GLU 109 -7.229 2.973 8.623 852 HA GLU 109 HA GLU 109 -7.957 1.315 10.901 853 HB2 GLU 109 2HB GLU 109 -7.554 3.218 12.454 854 HB3 GLU 109 1HB GLU 109 -6.075 2.602 11.739 855 HG2 GLU 109 2HG GLU 109 -5.858 4.480 10.336 856 HG3 GLU 109 1HG GLU 109 -7.510 5.004 10.660 857 H GLN 110 H GLN 110 -9.644 2.794 12.266 858 HA GLN 110 HA GLN 110 -11.383 4.000 10.252 859 HB2 GLN 110 2HB GLN 110 -13.328 3.014 11.321 860 HB3 GLN 110 1HB GLN 110 -12.226 1.771 10.750 861 HG2 GLN 110 2HG GLN 110 -11.454 1.336 12.954 862 HG3 GLN 110 1HG GLN 110 -12.323 2.728 13.593 863 HE21 GLN 110 1HE2 GLN 110 -13.475 1.476 15.039 864 HE22 GLN 110 2HE2 GLN 110 -14.745 0.416 14.533 865 H SER 111 H SER 111 -13.007 5.389 11.150 866 HA SER 111 HA SER 111 -12.632 6.261 13.868 867 HB2 SER 111 2HB SER 111 -12.671 8.058 11.441 868 HB3 SER 111 1HB SER 111 -12.797 8.616 13.109 869 HG SER 111 HG SER 111 -10.752 6.922 12.793 870 H SER 112 H SER 112 -14.519 6.408 14.814 871 HA SER 112 HA SER 112 -16.886 5.605 13.479 872 HB2 SER 112 2HB SER 112 -16.327 5.051 15.846 873 HB3 SER 112 1HB SER 112 -16.530 6.749 16.262 874 HG SER 112 HG SER 112 -18.730 6.415 15.314 875 H ASN 113 H ASN 113 -15.413 8.622 14.111 876 HA ASN 113 HA ASN 113 -17.606 10.388 13.909 877 HB2 ASN 113 2HB ASN 113 -15.385 11.098 14.690 878 HB3 ASN 113 1HB ASN 113 -14.709 10.753 13.109 879 HD21 ASN 113 1HD2 ASN 113 -13.980 12.818 12.817 880 HD22 ASN 113 2HD2 ASN 113 -14.993 14.178 12.532 881 H LEU 114 H LEU 114 -15.772 8.592 11.575 882 HA LEU 114 HA LEU 114 -16.788 10.106 9.340 883 HB2 LEU 114 2HB LEU 114 -15.024 7.678 9.487 884 HB3 LEU 114 1HB LEU 114 -15.545 8.402 7.980 885 HG LEU 114 HG LEU 114 -13.795 9.694 10.077 886 HD11 LEU 114 1HD1 LEU 114 -13.199 8.700 7.301 887 HD12 LEU 114 2HD1 LEU 114 -12.683 7.944 8.808 888 HD13 LEU 114 3HD1 LEU 114 -12.062 9.536 8.365 889 HD21 LEU 114 3HD2 LEU 114 -14.772 10.720 7.413 890 HD22 LEU 114 1HD2 LEU 114 -13.547 11.506 8.417 891 HD23 LEU 114 2HD2 LEU 114 -15.207 11.348 8.997 892 H HIS 115 H HIS 115 -18.419 9.619 8.175 893 HA HIS 115 HA HIS 115 -19.980 7.281 8.852 894 HB2 HIS 115 2HB HIS 115 -21.067 9.557 8.712 895 HB3 HIS 115 1HB HIS 115 -20.580 9.615 7.028 896 HD1 HIS 115 1HD HIS 115 -23.171 8.062 9.277 897 HD2 HIS 115 2HD HIS 115 -22.164 8.228 5.250 898 HE1 HIS 115 1HE HIS 115 -25.151 7.169 8.023 899 H THR 116 H THR 116 -20.860 6.027 6.982 900 HA THR 116 HA THR 116 -18.896 4.906 5.400 901 HB THR 116 HB THR 116 -21.857 4.938 4.809 902 HG1 THR 116 1HG THR 116 -22.091 3.552 6.477 903 HG21 THR 116 3HG2 THR 116 -21.405 2.657 3.974 904 HG22 THR 116 1HG2 THR 116 -19.698 2.859 4.365 905 HG23 THR 116 2HG2 THR 116 -20.437 3.850 3.108 906 H GLY 117 H GLY 117 -17.988 5.478 3.573 907 HA2 GLY 117 2HA GLY 117 -18.083 6.255 1.315 908 HA3 GLY 117 1HA GLY 117 -19.348 7.389 1.787 909 H GLN 118 H GLN 118 -17.503 7.733 4.284 910 HA GLN 118 HA GLN 118 -15.868 9.794 3.023 911 HB2 GLN 118 2HB GLN 118 -17.058 9.655 5.797 912 HB3 GLN 118 1HB GLN 118 -15.777 10.774 5.390 913 HG2 GLN 118 2HG GLN 118 -17.883 11.937 5.336 914 HG3 GLN 118 1HG GLN 118 -17.256 11.819 3.708 915 HE21 GLN 118 1HE2 GLN 118 -19.693 10.748 5.896 916 HE22 GLN 118 2HE2 GLN 118 -20.748 10.053 4.714 917 H PHE 119 H PHE 119 -13.720 9.767 3.283 918 HA PHE 119 HA PHE 119 -12.537 7.923 5.186 919 HB2 PHE 119 2HB PHE 119 -11.315 6.656 3.556 920 HB3 PHE 119 1HB PHE 119 -12.992 6.678 3.046 921 HD1 PHE 119 2HD PHE 119 -13.695 8.350 1.241 922 HD2 PHE 119 1HD PHE 119 -9.640 7.349 2.069 923 HE1 PHE 119 2HE PHE 119 -13.042 9.183 -0.970 924 HE2 PHE 119 1HE PHE 119 -8.979 8.177 -0.139 925 HZ PHE 119 HZ PHE 119 -10.682 9.100 -1.670 926 H ARG 120 H ARG 120 -10.255 8.272 5.330 927 HA ARG 120 HA ARG 120 -9.375 10.810 4.234 928 HB2 ARG 120 2HB ARG 120 -9.184 9.910 7.107 929 HB3 ARG 120 1HB ARG 120 -8.171 11.185 6.445 930 HG2 ARG 120 2HG ARG 120 -10.137 12.527 5.971 931 HG3 ARG 120 1HG ARG 120 -11.181 11.229 6.555 932 HD2 ARG 120 2HD ARG 120 -10.796 13.046 8.211 933 HD3 ARG 120 1HD ARG 120 -10.331 11.444 8.771 934 HE ARG 120 HE ARG 120 -8.005 12.170 8.023 935 HH11 ARG 120 1HH1 ARG 120 -10.373 14.408 9.399 936 HH12 ARG 120 2HH1 ARG 120 -9.230 15.425 10.113 937 HH21 ARG 120 1HH2 ARG 120 -6.415 13.514 9.061 938 HH22 ARG 120 2HH2 ARG 120 -6.903 14.884 9.934 939 H ALA 121 H ALA 121 -7.097 10.915 3.925 940 HA ALA 121 HA ALA 121 -5.533 8.573 4.544 941 HB1 ALA 121 1HB ALA 121 -6.544 7.970 2.390 942 HB2 ALA 121 2HB ALA 121 -4.807 8.224 2.231 943 HB3 ALA 121 3HB ALA 121 -5.933 9.470 1.688 944 H ARG 122 H ARG 122 -3.511 9.117 4.936 945 HA ARG 122 HA ARG 122 -2.546 11.683 3.963 946 HB2 ARG 122 2HB ARG 122 -2.506 10.635 6.749 947 HB3 ARG 122 1HB ARG 122 -1.327 11.818 6.192 948 HG2 ARG 122 2HG ARG 122 -4.235 12.314 5.797 949 HG3 ARG 122 1HG ARG 122 -3.458 12.571 7.367 950 HD2 ARG 122 2HD ARG 122 -3.615 14.583 5.951 951 HD3 ARG 122 1HD ARG 122 -1.977 14.184 6.473 952 HE ARG 122 HE ARG 122 -2.840 13.368 3.779 953 HH11 ARG 122 1HH1 ARG 122 -0.886 15.577 5.784 954 HH12 ARG 122 2HH1 ARG 122 -0.013 16.178 4.452 955 HH21 ARG 122 1HH2 ARG 122 -1.663 14.158 2.072 956 HH22 ARG 122 2HH2 ARG 122 -0.484 15.404 2.226 957 H GLY 123 H GLY 123 -0.522 11.841 3.575 958 HA2 GLY 123 2HA GLY 123 1.124 9.407 3.730 959 HA3 GLY 123 1HA GLY 123 1.109 10.423 2.287 960 H THR 124 H THR 124 2.712 9.850 5.172 961 HA THR 124 HA THR 124 4.075 12.364 4.878 962 HB THR 124 HB THR 124 3.008 11.216 7.460 963 HG1 THR 124 1HG THR 124 2.042 12.962 5.614 964 HG21 THR 124 3HG2 THR 124 4.482 13.777 6.903 965 HG22 THR 124 1HG2 THR 124 5.117 12.345 7.720 966 HG23 THR 124 2HG2 THR 124 3.814 13.287 8.474 967 H VAL 125 H VAL 125 6.293 12.101 5.408 968 HA VAL 125 HA VAL 125 7.130 9.365 5.860 969 HB VAL 125 HB VAL 125 8.469 10.541 4.160 970 HG11 VAL 125 1HG1 VAL 125 8.168 12.812 4.857 971 HG12 VAL 125 2HG1 VAL 125 9.890 12.451 4.714 972 HG13 VAL 125 3HG1 VAL 125 9.129 12.526 6.305 973 HG21 VAL 125 3HG2 VAL 125 10.737 10.226 5.056 974 HG22 VAL 125 1HG2 VAL 125 9.658 8.900 5.492 975 HG23 VAL 125 2HG2 VAL 125 10.065 10.132 6.685 976 H ASN 126 H ASN 126 7.451 8.584 7.724 977 HA ASN 126 HA ASN 126 7.940 10.444 9.929 978 HB2 ASN 126 2HB ASN 126 5.575 9.787 9.956 979 HB3 ASN 126 1HB ASN 126 6.038 8.090 9.947 980 HD21 ASN 126 1HD2 ASN 126 4.949 7.709 11.864 981 HD22 ASN 126 2HD2 ASN 126 5.572 8.270 13.381 982 HA PRO 127 HA PRO 127 11.060 7.152 10.182 983 HB2 PRO 127 2HB PRO 127 13.020 9.171 10.772 984 HB3 PRO 127 1HB PRO 127 12.877 8.199 9.308 985 HG2 PRO 127 2HG PRO 127 12.454 10.924 9.401 986 HG3 PRO 127 1HG PRO 127 11.773 9.847 8.173 987 HD2 PRO 127 2HD PRO 127 10.489 10.971 10.633 988 HD3 PRO 127 1HD PRO 127 9.812 10.739 9.002 989 H ASP 128 H ASP 128 9.993 9.644 12.236 990 HA ASP 128 HA ASP 128 11.473 8.581 14.522 991 HB2 ASP 128 2HB ASP 128 11.671 11.047 14.191 992 HB3 ASP 128 1HB ASP 128 9.923 11.192 14.325 993 H VAL 129 H VAL 129 10.128 6.807 14.228 994 HA VAL 129 HA VAL 129 7.582 7.176 15.595 995 HB VAL 129 HB VAL 129 7.041 6.762 13.289 996 HG11 VAL 129 1HG1 VAL 129 8.696 4.251 13.472 997 HG12 VAL 129 2HG1 VAL 129 9.061 5.692 12.521 998 HG13 VAL 129 3HG1 VAL 129 7.663 4.697 12.112 999 HG21 VAL 129 3HG2 VAL 129 6.545 4.276 14.922 1000 HG22 VAL 129 1HG2 VAL 129 5.637 4.759 13.490 1001 HG23 VAL 129 2HG2 VAL 129 5.572 5.742 14.954 1002 H GLU 130 H GLU 130 7.473 6.226 17.390 1003 HA GLU 130 HA GLU 130 9.132 3.909 17.954 1004 HB2 GLU 130 2HB GLU 130 7.403 5.615 19.742 1005 HB3 GLU 130 1HB GLU 130 8.341 4.230 20.293 1006 HG2 GLU 130 2HG GLU 130 10.382 5.321 19.646 1007 HG3 GLU 130 1HG GLU 130 9.457 6.676 18.996 1008 H THR 131 H THR 131 8.270 2.087 17.426 1009 HA THR 131 HA THR 131 5.590 1.446 18.193 1010 HB THR 131 HB THR 131 5.356 2.485 15.907 1011 HG1 THR 131 1HG THR 131 4.774 -0.072 15.198 1012 HG21 THR 131 3HG2 THR 131 7.533 1.886 14.962 1013 HG22 THR 131 1HG2 THR 131 6.231 1.290 13.929 1014 HG23 THR 131 2HG2 THR 131 7.093 0.181 14.997 1015 H HIS 132 H HIS 132 5.340 -0.933 18.000 1016 HA HIS 132 HA HIS 132 7.948 -2.241 17.987 1017 HB2 HIS 132 2HB HIS 132 6.727 -2.181 20.206 1018 HB3 HIS 132 1HB HIS 132 5.459 -3.147 19.461 1019 HD1 HIS 132 1HD HIS 132 5.828 -5.669 19.436 1020 HD2 HIS 132 2HD HIS 132 9.250 -3.531 20.419 1021 HE1 HIS 132 1HE HIS 132 7.524 -7.372 20.198 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -2.525 39.643 13.506 2 H2 MET 1 2HT MET 1 -4.148 39.347 13.698 3 H3 MET 1 3HT MET 1 -3.612 40.942 13.784 4 HA MET 1 HA MET 1 -4.682 40.531 11.699 5 HB2 MET 1 2HB MET 1 -1.666 40.425 11.334 6 HB3 MET 1 1HB MET 1 -2.809 40.825 10.067 7 HG2 MET 1 2HG MET 1 -3.505 42.798 11.354 8 HG3 MET 1 1HG MET 1 -2.294 42.405 12.571 9 HE1 MET 1 2HE MET 1 -0.728 45.520 10.848 10 HE2 MET 1 3HE MET 1 -1.194 44.773 12.379 11 HE3 MET 1 1HE MET 1 -2.430 45.223 11.202 12 H GLY 2 H GLY 2 -3.727 39.253 9.427 13 HA2 GLY 2 2HA GLY 2 -3.520 37.221 8.412 14 HA3 GLY 2 1HA GLY 2 -2.910 36.588 9.939 15 H SER 3 H SER 3 -4.036 34.853 10.437 16 HA SER 3 HA SER 3 -5.702 33.461 10.969 17 HB2 SER 3 2HB SER 3 -7.326 36.002 11.229 18 HB3 SER 3 1HB SER 3 -7.787 34.422 11.868 19 HG SER 3 HG SER 3 -5.272 35.263 12.590 20 H GLN 4 H GLN 4 -5.277 34.275 8.176 21 HA GLN 4 HA GLN 4 -7.857 34.321 7.019 22 HB2 GLN 4 2HB GLN 4 -6.544 33.965 4.795 23 HB3 GLN 4 1HB GLN 4 -6.450 35.496 5.632 24 HG2 GLN 4 2HG GLN 4 -4.291 34.805 4.716 25 HG3 GLN 4 1HG GLN 4 -4.239 34.936 6.465 26 HE21 GLN 4 1HE2 GLN 4 -4.230 32.747 3.751 27 HE22 GLN 4 2HE2 GLN 4 -3.573 31.400 4.613 28 H LYS 5 H LYS 5 -9.001 32.825 6.030 29 HA LYS 5 HA LYS 5 -8.209 30.112 6.700 30 HB2 LYS 5 2HB LYS 5 -10.914 31.175 5.876 31 HB3 LYS 5 1HB LYS 5 -10.567 29.514 6.310 32 HG2 LYS 5 2HG LYS 5 -10.342 31.895 8.145 33 HG3 LYS 5 1HG LYS 5 -11.640 30.697 8.138 34 HD2 LYS 5 2HD LYS 5 -9.997 28.944 8.701 35 HD3 LYS 5 1HD LYS 5 -8.732 30.171 8.742 36 HE2 LYS 5 2HE LYS 5 -9.874 31.320 10.551 37 HE3 LYS 5 1HE LYS 5 -11.176 30.134 10.501 38 HZ1 LYS 5 3HZ LYS 5 -9.532 28.420 11.092 39 HZ2 LYS 5 1HZ LYS 5 -9.634 29.636 12.260 40 HZ3 LYS 5 2HZ LYS 5 -8.343 29.611 11.189 41 H ARG 6 H ARG 6 -6.831 29.667 5.108 42 HA ARG 6 HA ARG 6 -7.738 29.913 2.387 43 HB2 ARG 6 2HB ARG 6 -5.418 30.508 2.825 44 HB3 ARG 6 1HB ARG 6 -5.132 28.959 3.590 45 HG2 ARG 6 2HG ARG 6 -4.149 29.209 1.317 46 HG3 ARG 6 1HG ARG 6 -5.211 27.822 1.508 47 HD2 ARG 6 2HD ARG 6 -5.540 28.995 -0.627 48 HD3 ARG 6 1HD ARG 6 -6.988 28.963 0.363 49 HE ARG 6 HE ARG 6 -5.801 31.348 0.949 50 HH11 ARG 6 1HH1 ARG 6 -6.597 29.814 -2.117 51 HH12 ARG 6 2HH1 ARG 6 -7.285 31.197 -2.837 52 HH21 ARG 6 1HH2 ARG 6 -6.718 33.321 -0.033 53 HH22 ARG 6 2HH2 ARG 6 -7.302 33.263 -1.624 54 H LEU 7 H LEU 7 -9.428 28.563 2.326 55 HA LEU 7 HA LEU 7 -9.057 25.782 3.065 56 HB2 LEU 7 2HB LEU 7 -11.133 27.131 3.694 57 HB3 LEU 7 1HB LEU 7 -11.525 27.184 1.998 58 HG LEU 7 HG LEU 7 -11.370 24.615 3.607 59 HD11 LEU 7 1HD1 LEU 7 -13.814 24.678 3.594 60 HD12 LEU 7 2HD1 LEU 7 -13.763 26.285 2.871 61 HD13 LEU 7 3HD1 LEU 7 -13.120 26.025 4.493 62 HD21 LEU 7 3HD2 LEU 7 -12.618 25.181 0.904 63 HD22 LEU 7 1HD2 LEU 7 -12.657 23.642 1.763 64 HD23 LEU 7 2HD2 LEU 7 -11.125 24.283 1.172 65 H VAL 8 H VAL 8 -8.034 24.691 1.554 66 HA VAL 8 HA VAL 8 -8.742 25.208 -1.243 67 HB VAL 8 HB VAL 8 -6.303 23.726 -0.208 68 HG11 VAL 8 1HG1 VAL 8 -5.481 23.953 -2.517 69 HG12 VAL 8 2HG1 VAL 8 -7.012 24.695 -2.973 70 HG13 VAL 8 3HG1 VAL 8 -6.975 23.019 -2.431 71 HG21 VAL 8 3HG2 VAL 8 -5.000 25.704 -0.869 72 HG22 VAL 8 1HG2 VAL 8 -6.164 26.084 0.401 73 HG23 VAL 8 2HG2 VAL 8 -6.496 26.547 -1.269 74 H GLN 9 H GLN 9 -10.379 23.858 -1.719 75 HA GLN 9 HA GLN 9 -10.543 21.293 -0.507 76 HB2 GLN 9 2HB GLN 9 -12.456 20.873 -2.086 77 HB3 GLN 9 1HB GLN 9 -12.647 22.282 -1.068 78 HG2 GLN 9 2HG GLN 9 -12.176 23.751 -2.889 79 HG3 GLN 9 1HG GLN 9 -11.701 22.401 -3.922 80 HE21 GLN 9 1HE2 GLN 9 -13.235 22.978 -5.453 81 HE22 GLN 9 2HE2 GLN 9 -14.912 22.696 -5.229 82 H ARG 10 H ARG 10 -9.035 19.944 -0.921 83 HA ARG 10 HA ARG 10 -7.900 19.826 -3.557 84 HB2 ARG 10 2HB ARG 10 -7.080 18.555 -0.958 85 HB3 ARG 10 1HB ARG 10 -6.275 18.206 -2.487 86 HG2 ARG 10 2HG ARG 10 -5.599 20.479 -2.744 87 HG3 ARG 10 1HG ARG 10 -6.599 20.983 -1.386 88 HD2 ARG 10 2HD ARG 10 -4.289 19.074 -1.140 89 HD3 ARG 10 1HD ARG 10 -4.154 20.818 -0.912 90 HE ARG 10 HE ARG 10 -6.150 20.133 0.741 91 HH11 ARG 10 1HH1 ARG 10 -2.835 18.922 0.379 92 HH12 ARG 10 2HH1 ARG 10 -2.679 18.465 1.990 93 HH21 ARG 10 1HH2 ARG 10 -5.915 19.610 2.936 94 HH22 ARG 10 2HH2 ARG 10 -4.485 18.883 3.520 95 H VAL 11 H VAL 11 -9.855 19.166 -4.400 96 HA VAL 11 HA VAL 11 -10.004 16.276 -4.533 97 HB VAL 11 HB VAL 11 -12.531 16.526 -4.975 98 HG11 VAL 11 1HG1 VAL 11 -11.506 17.163 -2.206 99 HG12 VAL 11 2HG1 VAL 11 -11.683 15.552 -2.901 100 HG13 VAL 11 3HG1 VAL 11 -13.109 16.535 -2.578 101 HG21 VAL 11 3HG2 VAL 11 -12.076 19.198 -3.623 102 HG22 VAL 11 1HG2 VAL 11 -13.651 18.475 -3.952 103 HG23 VAL 11 2HG2 VAL 11 -12.603 18.961 -5.286 104 H GLU 12 H GLU 12 -8.829 16.181 -6.334 105 HA GLU 12 HA GLU 12 -9.330 17.817 -8.610 106 HB2 GLU 12 2HB GLU 12 -7.783 15.235 -8.349 107 HB3 GLU 12 1HB GLU 12 -7.761 16.278 -9.769 108 HG2 GLU 12 2HG GLU 12 -6.922 17.133 -7.010 109 HG3 GLU 12 1HG GLU 12 -5.812 16.610 -8.271 110 H ARG 13 H ARG 13 -10.482 14.895 -7.387 111 HA ARG 13 HA ARG 13 -12.694 14.967 -9.215 112 HB2 ARG 13 2HB ARG 13 -11.194 12.464 -8.342 113 HB3 ARG 13 1HB ARG 13 -12.740 12.453 -9.160 114 HG2 ARG 13 2HG ARG 13 -10.158 13.469 -10.332 115 HG3 ARG 13 1HG ARG 13 -10.874 11.892 -10.650 116 HD2 ARG 13 2HD ARG 13 -12.869 13.024 -11.577 117 HD3 ARG 13 1HD ARG 13 -12.083 14.579 -11.305 118 HE ARG 13 HE ARG 13 -10.528 12.753 -12.854 119 HH11 ARG 13 1HH1 ARG 13 -13.078 15.207 -13.067 120 HH12 ARG 13 2HH1 ARG 13 -12.756 15.576 -14.699 121 HH21 ARG 13 1HH2 ARG 13 -10.120 13.240 -15.065 122 HH22 ARG 13 2HH2 ARG 13 -11.052 14.399 -15.890 123 H LYS 14 H LYS 14 -14.454 15.013 -7.853 124 HA LYS 14 HA LYS 14 -13.890 14.918 -5.054 125 HB2 LYS 14 2HB LYS 14 -16.307 15.336 -4.633 126 HB3 LYS 14 1HB LYS 14 -15.570 16.528 -5.684 127 HG2 LYS 14 2HG LYS 14 -17.059 14.234 -6.879 128 HG3 LYS 14 1HG LYS 14 -17.950 15.582 -6.181 129 HD2 LYS 14 2HD LYS 14 -16.739 17.125 -7.661 130 HD3 LYS 14 1HD LYS 14 -15.883 15.767 -8.383 131 HE2 LYS 14 2HE LYS 14 -17.751 16.440 -9.778 132 HE3 LYS 14 1HE LYS 14 -18.025 14.830 -9.122 133 HZ1 LYS 14 3HZ LYS 14 -19.223 17.339 -8.063 134 HZ2 LYS 14 1HZ LYS 14 -19.491 15.789 -7.455 135 HZ3 LYS 14 2HZ LYS 14 -20.016 16.170 -8.990 136 H LEU 15 H LEU 15 -15.100 12.711 -7.337 137 HA LEU 15 HA LEU 15 -14.539 10.548 -5.694 138 HB2 LEU 15 2HB LEU 15 -16.829 9.526 -5.598 139 HB3 LEU 15 1HB LEU 15 -16.654 10.931 -4.583 140 HG LEU 15 HG LEU 15 -17.869 12.224 -6.447 141 HD11 LEU 15 1HD1 LEU 15 -18.615 9.438 -7.307 142 HD12 LEU 15 2HD1 LEU 15 -17.667 10.601 -8.237 143 HD13 LEU 15 3HD1 LEU 15 -19.361 10.934 -7.874 144 HD21 LEU 15 3HD2 LEU 15 -19.321 10.092 -4.890 145 HD22 LEU 15 1HD2 LEU 15 -20.065 11.510 -5.628 146 HD23 LEU 15 2HD2 LEU 15 -18.895 11.707 -4.326 147 H GLU 16 H GLU 16 -14.235 8.770 -6.914 148 HA GLU 16 HA GLU 16 -15.403 8.733 -9.561 149 HB2 GLU 16 2HB GLU 16 -13.296 8.155 -10.689 150 HB3 GLU 16 1HB GLU 16 -13.217 9.749 -9.981 151 HG2 GLU 16 2HG GLU 16 -11.820 8.914 -8.182 152 HG3 GLU 16 1HG GLU 16 -11.981 7.269 -8.797 153 H GLN 17 H GLN 17 -16.213 6.820 -10.005 154 HA GLN 17 HA GLN 17 -15.304 4.691 -8.260 155 HB2 GLN 17 2HB GLN 17 -17.498 3.633 -8.403 156 HB3 GLN 17 1HB GLN 17 -17.617 5.260 -7.770 157 HG2 GLN 17 2HG GLN 17 -18.232 4.475 -10.601 158 HG3 GLN 17 1HG GLN 17 -19.408 4.599 -9.301 159 HE21 GLN 17 1HE2 GLN 17 -19.999 6.649 -8.610 160 HE22 GLN 17 2HE2 GLN 17 -19.629 8.084 -9.488 161 H THR 18 H THR 18 -13.855 3.816 -9.319 162 HA THR 18 HA THR 18 -14.066 3.083 -12.095 163 HB THR 18 HB THR 18 -12.007 2.037 -10.251 164 HG1 THR 18 1HG THR 18 -12.225 4.771 -11.163 165 HG21 THR 18 3HG2 THR 18 -10.554 2.485 -12.204 166 HG22 THR 18 1HG2 THR 18 -11.950 3.163 -13.044 167 HG23 THR 18 2HG2 THR 18 -11.931 1.451 -12.606 168 H VAL 19 H VAL 19 -15.625 1.507 -12.203 169 HA VAL 19 HA VAL 19 -15.663 -0.659 -10.252 170 HB VAL 19 HB VAL 19 -17.734 -1.445 -11.374 171 HG11 VAL 19 1HG1 VAL 19 -19.154 0.457 -10.734 172 HG12 VAL 19 2HG1 VAL 19 -17.725 1.489 -10.667 173 HG13 VAL 19 3HG1 VAL 19 -17.895 0.146 -9.541 174 HG21 VAL 19 3HG2 VAL 19 -17.383 0.982 -13.134 175 HG22 VAL 19 1HG2 VAL 19 -18.783 -0.086 -13.111 176 HG23 VAL 19 2HG2 VAL 19 -17.219 -0.693 -13.659 177 H GLY 20 H GLY 20 -13.553 -0.366 -12.246 178 HA2 GLY 20 2HA GLY 20 -13.815 -2.950 -13.638 179 HA3 GLY 20 1HA GLY 20 -12.766 -1.635 -14.158 180 H ASP 21 H ASP 21 -13.256 -2.919 -10.915 181 HA ASP 21 HA ASP 21 -10.685 -4.162 -10.817 182 HB2 ASP 21 2HB ASP 21 -10.184 -1.807 -10.182 183 HB3 ASP 21 1HB ASP 21 -11.470 -1.859 -8.988 184 H ALA 22 H ALA 22 -10.867 -5.791 -9.456 185 HA ALA 22 HA ALA 22 -13.269 -6.915 -8.701 186 HB1 ALA 22 1HB ALA 22 -10.631 -7.429 -7.354 187 HB2 ALA 22 2HB ALA 22 -11.146 -8.149 -8.881 188 HB3 ALA 22 3HB ALA 22 -12.021 -8.516 -7.395 189 H PHE 23 H PHE 23 -11.079 -5.225 -6.495 190 HA PHE 23 HA PHE 23 -12.845 -5.601 -4.300 191 HB2 PHE 23 2HB PHE 23 -10.329 -4.210 -4.796 192 HB3 PHE 23 1HB PHE 23 -11.203 -3.748 -3.319 193 HD1 PHE 23 2HD PHE 23 -9.361 -6.390 -5.082 194 HD2 PHE 23 1HD PHE 23 -11.399 -5.346 -1.500 195 HE1 PHE 23 2HE PHE 23 -8.407 -8.365 -3.967 196 HE2 PHE 23 1HE PHE 23 -10.453 -7.319 -0.378 197 HZ PHE 23 HZ PHE 23 -8.954 -8.831 -1.611 198 H ALA 24 H ALA 24 -12.357 -3.176 -6.648 199 HA ALA 24 HA ALA 24 -13.807 -1.076 -5.449 200 HB1 ALA 24 1HB ALA 24 -14.029 -0.204 -7.711 201 HB2 ALA 24 2HB ALA 24 -13.517 -1.755 -8.358 202 HB3 ALA 24 3HB ALA 24 -12.391 -0.781 -7.414 203 H ARG 25 H ARG 25 -14.769 -3.859 -7.367 204 HA ARG 25 HA ARG 25 -17.506 -3.061 -7.550 205 HB2 ARG 25 2HB ARG 25 -16.236 -5.740 -8.098 206 HB3 ARG 25 1HB ARG 25 -17.864 -5.254 -8.561 207 HG2 ARG 25 2HG ARG 25 -16.924 -3.497 -9.982 208 HG3 ARG 25 1HG ARG 25 -15.305 -4.017 -9.527 209 HD2 ARG 25 2HD ARG 25 -15.763 -4.982 -11.631 210 HD3 ARG 25 1HD ARG 25 -15.889 -6.270 -10.432 211 HE ARG 25 HE ARG 25 -18.416 -5.253 -10.736 212 HH11 ARG 25 1HH1 ARG 25 -16.030 -6.899 -12.747 213 HH12 ARG 25 2HH1 ARG 25 -17.151 -7.523 -13.859 214 HH21 ARG 25 1HH2 ARG 25 -19.991 -6.103 -12.245 215 HH22 ARG 25 2HH2 ARG 25 -19.495 -7.015 -13.586 216 H ILE 26 H ILE 26 -15.571 -4.749 -5.275 217 HA ILE 26 HA ILE 26 -17.691 -6.032 -3.874 218 HB ILE 26 HB ILE 26 -14.982 -5.096 -2.829 219 HG12 ILE 26 2HG1 ILE 26 -15.924 -7.844 -3.693 220 HG13 ILE 26 1HG1 ILE 26 -14.842 -6.803 -4.607 221 HG21 ILE 26 1HG2 ILE 26 -15.349 -6.618 -0.926 222 HG22 ILE 26 2HG2 ILE 26 -16.972 -6.962 -1.522 223 HG23 ILE 26 3HG2 ILE 26 -16.561 -5.338 -0.977 224 HD11 ILE 26 3HD1 ILE 26 -13.181 -7.002 -2.782 225 HD12 ILE 26 1HD1 ILE 26 -13.614 -8.562 -3.481 226 HD13 ILE 26 2HD1 ILE 26 -14.287 -8.071 -1.929 227 H PHE 27 H PHE 27 -16.178 -2.863 -3.682 228 HA PHE 27 HA PHE 27 -17.849 -1.891 -1.565 229 HB2 PHE 27 2HB PHE 27 -16.074 -0.551 -3.571 230 HB3 PHE 27 1HB PHE 27 -17.099 0.383 -2.497 231 HD1 PHE 27 1HD PHE 27 -16.712 0.353 -0.102 232 HD2 PHE 27 2HD PHE 27 -14.100 -1.619 -2.812 233 HE1 PHE 27 1HE PHE 27 -14.995 0.286 1.623 234 HE2 PHE 27 2HE PHE 27 -12.371 -1.702 -1.074 235 HZ PHE 27 HZ PHE 27 -12.830 -0.739 1.151 236 H GLY 28 H GLY 28 -18.037 -2.032 -5.016 237 HA2 GLY 28 2HA GLY 28 -19.925 -1.822 -6.340 238 HA3 GLY 28 1HA GLY 28 -20.818 -1.248 -4.930 239 H GLY 29 H GLY 29 -20.342 0.919 -4.176 240 HA2 GLY 29 2HA GLY 29 -19.095 2.700 -6.121 241 HA3 GLY 29 1HA GLY 29 -20.802 2.944 -5.781 242 H SER 30 H SER 30 -18.900 1.806 -3.145 243 HA SER 30 HA SER 30 -19.397 4.138 -1.615 244 HB2 SER 30 2HB SER 30 -17.424 1.907 -1.096 245 HB3 SER 30 1HB SER 30 -18.076 3.004 0.109 246 HG SER 30 HG SER 30 -19.873 1.980 0.143 247 H ILE 31 H ILE 31 -16.195 2.693 -2.243 248 HA ILE 31 HA ILE 31 -15.128 5.059 -3.378 249 HB ILE 31 HB ILE 31 -13.144 5.057 -1.817 250 HG12 ILE 31 2HG1 ILE 31 -13.676 4.185 0.610 251 HG13 ILE 31 1HG1 ILE 31 -14.798 3.117 -0.217 252 HG21 ILE 31 1HG2 ILE 31 -14.114 6.329 0.031 253 HG22 ILE 31 2HG2 ILE 31 -15.715 5.825 -0.501 254 HG23 ILE 31 3HG2 ILE 31 -14.705 6.812 -1.558 255 HD11 ILE 31 3HD1 ILE 31 -11.817 3.257 -0.667 256 HD12 ILE 31 1HD1 ILE 31 -12.935 2.181 -1.506 257 HD13 ILE 31 2HD1 ILE 31 -12.681 2.011 0.231 258 H VAL 32 H VAL 32 -12.953 4.417 -4.272 259 HA VAL 32 HA VAL 32 -12.908 1.493 -4.507 260 HB VAL 32 HB VAL 32 -12.343 1.581 -6.903 261 HG11 VAL 32 1HG1 VAL 32 -14.681 1.352 -6.315 262 HG12 VAL 32 2HG1 VAL 32 -14.509 2.293 -7.798 263 HG13 VAL 32 3HG1 VAL 32 -14.866 3.105 -6.275 264 HG21 VAL 32 3HG2 VAL 32 -12.806 4.553 -6.697 265 HG22 VAL 32 1HG2 VAL 32 -12.520 3.655 -8.188 266 HG23 VAL 32 2HG2 VAL 32 -11.253 3.762 -6.969 267 HA PRO 33 HA PRO 33 -8.602 1.456 -3.439 268 HB2 PRO 33 2HB PRO 33 -8.264 -0.337 -5.803 269 HB3 PRO 33 1HB PRO 33 -7.716 -0.569 -4.138 270 HG2 PRO 33 2HG PRO 33 -9.828 -1.885 -5.032 271 HG3 PRO 33 1HG PRO 33 -9.830 -1.203 -3.396 272 HD2 PRO 33 2HD PRO 33 -11.203 -0.226 -5.864 273 HD3 PRO 33 1HD PRO 33 -11.755 -0.201 -4.176 274 H GLN 34 H GLN 34 -9.426 1.745 -6.824 275 HA GLN 34 HA GLN 34 -7.026 2.813 -7.841 276 HB2 GLN 34 2HB GLN 34 -9.859 3.314 -8.778 277 HB3 GLN 34 1HB GLN 34 -8.406 3.621 -9.711 278 HG2 GLN 34 2HG GLN 34 -9.346 0.923 -8.769 279 HG3 GLN 34 1HG GLN 34 -9.534 1.568 -10.399 280 HE21 GLN 34 1HE2 GLN 34 -7.707 1.778 -11.698 281 HE22 GLN 34 2HE2 GLN 34 -6.255 0.923 -11.364 282 H GLU 35 H GLU 35 -9.742 4.246 -6.231 283 HA GLU 35 HA GLU 35 -9.045 6.983 -6.740 284 HB2 GLU 35 2HB GLU 35 -11.356 6.290 -6.570 285 HB3 GLU 35 1HB GLU 35 -11.069 5.586 -4.997 286 HG2 GLU 35 2HG GLU 35 -10.757 7.813 -4.068 287 HG3 GLU 35 1HG GLU 35 -11.022 8.510 -5.674 288 H VAL 36 H VAL 36 -8.875 4.632 -4.134 289 HA VAL 36 HA VAL 36 -7.794 6.240 -2.120 290 HB VAL 36 HB VAL 36 -7.257 3.282 -2.606 291 HG11 VAL 36 1HG1 VAL 36 -5.555 4.266 -1.135 292 HG12 VAL 36 2HG1 VAL 36 -6.621 3.184 -0.238 293 HG13 VAL 36 3HG1 VAL 36 -6.826 4.929 -0.105 294 HG21 VAL 36 3HG2 VAL 36 -9.618 3.796 -2.275 295 HG22 VAL 36 1HG2 VAL 36 -9.212 4.669 -0.793 296 HG23 VAL 36 2HG2 VAL 36 -8.942 2.928 -0.886 297 H GLU 37 H GLU 37 -6.053 4.211 -4.507 298 HA GLU 37 HA GLU 37 -3.533 5.135 -3.659 299 HB2 GLU 37 2HB GLU 37 -2.615 4.209 -5.741 300 HB3 GLU 37 1HB GLU 37 -3.652 3.066 -4.908 301 HG2 GLU 37 2HG GLU 37 -5.358 3.310 -6.469 302 HG3 GLU 37 1HG GLU 37 -4.647 4.779 -7.138 303 H ALA 38 H ALA 38 -5.802 6.392 -5.996 304 HA ALA 38 HA ALA 38 -4.120 8.161 -7.365 305 HB1 ALA 38 1HB ALA 38 -6.151 9.420 -7.911 306 HB2 ALA 38 2HB ALA 38 -7.034 8.537 -6.665 307 HB3 ALA 38 3HB ALA 38 -6.415 7.684 -8.080 308 H LEU 39 H LEU 39 -6.179 8.778 -4.536 309 HA LEU 39 HA LEU 39 -5.016 11.336 -4.133 310 HB2 LEU 39 2HB LEU 39 -6.875 9.673 -2.471 311 HB3 LEU 39 1HB LEU 39 -6.139 11.108 -1.799 312 HG LEU 39 HG LEU 39 -8.368 11.620 -2.530 313 HD11 LEU 39 1HD1 LEU 39 -6.368 12.842 -4.414 314 HD12 LEU 39 2HD1 LEU 39 -6.717 13.363 -2.773 315 HD13 LEU 39 3HD1 LEU 39 -7.960 13.491 -4.018 316 HD21 LEU 39 3HD2 LEU 39 -8.675 9.877 -4.221 317 HD22 LEU 39 1HD2 LEU 39 -7.533 10.702 -5.282 318 HD23 LEU 39 2HD2 LEU 39 -9.070 11.468 -4.881 319 H LEU 40 H LEU 40 -4.343 8.156 -2.889 320 HA LEU 40 HA LEU 40 -2.685 8.965 -0.765 321 HB2 LEU 40 2HB LEU 40 -3.678 6.694 -1.094 322 HB3 LEU 40 1HB LEU 40 -2.489 6.417 -2.347 323 HG LEU 40 HG LEU 40 -0.693 6.661 -0.658 324 HD11 LEU 40 1HD1 LEU 40 -1.313 6.588 1.709 325 HD12 LEU 40 2HD1 LEU 40 -3.004 6.768 1.265 326 HD13 LEU 40 3HD1 LEU 40 -1.862 8.078 0.944 327 HD21 LEU 40 3HD2 LEU 40 -1.561 4.463 -1.268 328 HD22 LEU 40 1HD2 LEU 40 -2.805 4.613 -0.031 329 HD23 LEU 40 2HD2 LEU 40 -1.104 4.515 0.437 330 H ARG 41 H ARG 41 -1.935 8.198 -4.168 331 HA ARG 41 HA ARG 41 0.852 8.630 -3.727 332 HB2 ARG 41 2HB ARG 41 1.173 8.399 -6.116 333 HB3 ARG 41 1HB ARG 41 0.050 7.170 -5.579 334 HG2 ARG 41 2HG ARG 41 -1.810 8.595 -6.433 335 HG3 ARG 41 1HG ARG 41 -0.591 9.692 -7.096 336 HD2 ARG 41 2HD ARG 41 0.356 7.795 -8.372 337 HD3 ARG 41 1HD ARG 41 -0.940 6.774 -7.762 338 HE ARG 41 HE ARG 41 -1.607 9.188 -9.247 339 HH11 ARG 41 1HH1 ARG 41 -1.754 5.624 -9.021 340 HH12 ARG 41 2HH1 ARG 41 -2.542 5.457 -10.504 341 HH21 ARG 41 1HH2 ARG 41 -2.721 8.873 -11.295 342 HH22 ARG 41 2HH2 ARG 41 -3.062 7.277 -11.825 343 H ARG 42 H ARG 42 -1.857 10.620 -4.519 344 HA ARG 42 HA ARG 42 -0.273 12.853 -5.206 345 HB2 ARG 42 2HB ARG 42 -2.608 12.836 -5.898 346 HB3 ARG 42 1HB ARG 42 -3.136 12.741 -4.219 347 HG2 ARG 42 2HG ARG 42 -2.261 14.927 -3.765 348 HG3 ARG 42 1HG ARG 42 -1.562 15.022 -5.374 349 HD2 ARG 42 2HD ARG 42 -3.756 15.077 -6.365 350 HD3 ARG 42 1HD ARG 42 -4.507 14.813 -4.785 351 HE ARG 42 HE ARG 42 -3.667 16.913 -4.081 352 HH11 ARG 42 1HH1 ARG 42 -3.600 16.419 -7.590 353 HH12 ARG 42 2HH1 ARG 42 -3.505 18.066 -7.965 354 HH21 ARG 42 1HH2 ARG 42 -3.506 19.195 -4.583 355 HH22 ARG 42 2HH2 ARG 42 -3.468 19.711 -6.200 356 H GLU 43 H GLU 43 -1.554 11.569 -2.181 357 HA GLU 43 HA GLU 43 -0.765 13.646 -0.471 358 HB2 GLU 43 2HB GLU 43 -0.934 10.669 0.001 359 HB3 GLU 43 1HB GLU 43 -0.587 11.824 1.273 360 HG2 GLU 43 2HG GLU 43 -3.081 11.801 -0.400 361 HG3 GLU 43 1HG GLU 43 -2.941 11.103 1.211 362 H ALA 44 H ALA 44 0.967 10.924 -1.790 363 HA ALA 44 HA ALA 44 3.390 11.282 -0.441 364 HB1 ALA 44 1HB ALA 44 2.871 9.270 -1.729 365 HB2 ALA 44 2HB ALA 44 4.390 9.986 -2.281 366 HB3 ALA 44 3HB ALA 44 2.909 10.209 -3.218 367 H ALA 45 H ALA 45 2.260 12.528 -3.551 368 HA ALA 45 HA ALA 45 4.575 14.050 -4.161 369 HB1 ALA 45 1HB ALA 45 2.967 13.302 -5.862 370 HB2 ALA 45 2HB ALA 45 3.234 15.043 -5.928 371 HB3 ALA 45 3HB ALA 45 1.766 14.405 -5.191 372 H ASP 46 H ASP 46 1.639 14.774 -2.451 373 HA ASP 46 HA ASP 46 1.989 17.629 -2.358 374 HB2 ASP 46 2HB ASP 46 -0.226 16.428 -2.305 375 HB3 ASP 46 1HB ASP 46 0.175 15.858 -0.700 376 H GLY 47 H GLY 47 2.582 14.890 -0.237 377 HA2 GLY 47 2HA GLY 47 3.495 16.587 1.925 378 HA3 GLY 47 1HA GLY 47 3.303 14.842 1.951 379 H ILE 48 H ILE 48 4.937 15.945 -0.764 380 HA ILE 48 HA ILE 48 7.361 14.711 -0.309 381 HB ILE 48 HB ILE 48 6.460 16.895 -2.146 382 HG12 ILE 48 2HG1 ILE 48 5.826 14.632 -2.682 383 HG13 ILE 48 1HG1 ILE 48 6.920 15.266 -3.910 384 HG21 ILE 48 1HG2 ILE 48 8.678 17.579 -1.684 385 HG22 ILE 48 2HG2 ILE 48 8.594 16.928 -3.322 386 HG23 ILE 48 3HG2 ILE 48 9.292 15.960 -2.006 387 HD11 ILE 48 3HD1 ILE 48 7.581 13.311 -1.715 388 HD12 ILE 48 1HD1 ILE 48 8.755 14.002 -2.839 389 HD13 ILE 48 2HD1 ILE 48 7.455 12.984 -3.441 390 H GLN 49 H GLN 49 9.323 15.351 0.455 391 HA GLN 49 HA GLN 49 9.335 17.875 1.908 392 HB2 GLN 49 2HB GLN 49 9.602 15.434 2.996 393 HB3 GLN 49 1HB GLN 49 11.266 15.707 2.506 394 HG2 GLN 49 2HG GLN 49 11.317 17.785 3.758 395 HG3 GLN 49 1HG GLN 49 9.653 17.525 4.271 396 HE21 GLN 49 1HE2 GLN 49 12.187 15.128 4.013 397 HE22 GLN 49 2HE2 GLN 49 12.249 14.740 5.695 398 H SER 50 H SER 50 10.753 19.305 1.138 399 HA SER 50 HA SER 50 12.293 18.810 -1.152 400 HB2 SER 50 2HB SER 50 12.556 21.100 0.809 401 HB3 SER 50 1HB SER 50 13.009 21.102 -0.895 402 HG SER 50 HG SER 50 10.617 20.534 -1.162 403 H LEU 51 H LEU 51 13.872 17.347 -0.969 404 HA LEU 51 HA LEU 51 15.853 17.539 1.196 405 HB2 LEU 51 2HB LEU 51 14.594 15.354 0.622 406 HB3 LEU 51 1HB LEU 51 15.483 15.352 -0.883 407 HG LEU 51 HG LEU 51 17.609 15.146 0.432 408 HD11 LEU 51 1HD1 LEU 51 15.758 14.830 2.774 409 HD12 LEU 51 2HD1 LEU 51 16.895 16.152 2.507 410 HD13 LEU 51 3HD1 LEU 51 17.491 14.515 2.773 411 HD21 LEU 51 3HD2 LEU 51 16.582 13.174 -0.501 412 HD22 LEU 51 1HD2 LEU 51 15.517 13.036 0.898 413 HD23 LEU 51 2HD2 LEU 51 17.248 12.812 1.095 414 H GLN 52 H GLN 52 18.080 16.551 -0.174 415 HA GLN 52 HA GLN 52 19.161 18.521 -1.726 416 HB2 GLN 52 2HB GLN 52 19.578 15.533 -2.099 417 HB3 GLN 52 1HB GLN 52 20.600 16.769 -2.791 418 HG2 GLN 52 2HG GLN 52 21.752 15.889 -0.919 419 HG3 GLN 52 1HG GLN 52 21.162 17.476 -0.442 420 HE21 GLN 52 1HE2 GLN 52 20.820 14.039 -0.010 421 HE22 GLN 52 2HE2 GLN 52 19.912 14.124 1.450 422 H GLY 53 H GLY 53 19.254 18.965 -3.987 423 HA2 GLY 53 2HA GLY 53 16.737 18.663 -5.279 424 HA3 GLY 53 1HA GLY 53 18.152 19.468 -5.926 425 H ASN 54 H ASN 54 18.910 16.387 -5.029 426 HA ASN 54 HA ASN 54 19.152 15.472 -7.735 427 HB2 ASN 54 2HB ASN 54 19.539 13.874 -5.189 428 HB3 ASN 54 1HB ASN 54 20.171 13.494 -6.788 429 HD21 ASN 54 1HD2 ASN 54 21.958 14.709 -7.582 430 HD22 ASN 54 2HD2 ASN 54 22.933 15.635 -6.502 431 H ARG 55 H ARG 55 17.023 14.935 -4.951 432 HA ARG 55 HA ARG 55 14.925 14.077 -6.553 433 HB2 ARG 55 2HB ARG 55 14.643 11.762 -5.802 434 HB3 ARG 55 1HB ARG 55 16.147 11.972 -6.679 435 HG2 ARG 55 2HG ARG 55 17.235 12.187 -4.371 436 HG3 ARG 55 1HG ARG 55 15.712 11.584 -3.763 437 HD2 ARG 55 2HD ARG 55 17.331 10.133 -5.848 438 HD3 ARG 55 1HD ARG 55 17.389 9.782 -4.122 439 HE ARG 55 HE ARG 55 14.800 9.668 -5.450 440 HH11 ARG 55 1HH1 ARG 55 17.541 7.905 -4.047 441 HH12 ARG 55 2HH1 ARG 55 16.765 6.390 -4.027 442 HH21 ARG 55 1HH2 ARG 55 13.695 7.522 -5.362 443 HH22 ARG 55 2HH2 ARG 55 14.523 6.167 -4.799 444 H LEU 56 H LEU 56 13.015 13.543 -5.282 445 HA LEU 56 HA LEU 56 12.895 15.279 -2.912 446 HB2 LEU 56 2HB LEU 56 10.747 14.034 -4.623 447 HB3 LEU 56 1HB LEU 56 10.504 15.164 -3.311 448 HG LEU 56 HG LEU 56 12.041 15.841 -5.815 449 HD11 LEU 56 1HD1 LEU 56 9.154 16.410 -5.135 450 HD12 LEU 56 2HD1 LEU 56 9.745 15.344 -6.404 451 HD13 LEU 56 3HD1 LEU 56 10.043 17.079 -6.501 452 HD21 LEU 56 3HD2 LEU 56 10.916 17.544 -3.584 453 HD22 LEU 56 1HD2 LEU 56 11.691 18.151 -5.046 454 HD23 LEU 56 2HD2 LEU 56 12.618 17.207 -3.888 455 H LEU 57 H LEU 57 11.887 14.644 -1.011 456 HA LEU 57 HA LEU 57 12.146 11.780 -0.540 457 HB2 LEU 57 2HB LEU 57 13.454 13.587 0.743 458 HB3 LEU 57 1HB LEU 57 11.931 14.016 1.474 459 HG LEU 57 HG LEU 57 13.187 11.279 1.738 460 HD11 LEU 57 1HD1 LEU 57 13.873 12.005 3.951 461 HD12 LEU 57 2HD1 LEU 57 13.347 13.650 3.575 462 HD13 LEU 57 3HD1 LEU 57 14.676 12.908 2.675 463 HD21 LEU 57 3HD2 LEU 57 11.017 12.669 3.309 464 HD22 LEU 57 1HD2 LEU 57 11.729 11.095 3.690 465 HD23 LEU 57 2HD2 LEU 57 10.821 11.304 2.198 466 H ALA 58 H ALA 58 10.360 10.658 -0.149 467 HA ALA 58 HA ALA 58 7.787 12.066 -0.129 468 HB1 ALA 58 1HB ALA 58 8.107 10.494 -1.969 469 HB2 ALA 58 2HB ALA 58 6.859 9.901 -0.872 470 HB3 ALA 58 3HB ALA 58 8.478 9.207 -0.824 471 HA PRO 59 HA PRO 59 6.710 10.790 4.035 472 HB2 PRO 59 2HB PRO 59 4.302 9.594 2.764 473 HB3 PRO 59 1HB PRO 59 4.416 10.692 4.143 474 HG2 PRO 59 2HG PRO 59 3.624 11.619 1.802 475 HG3 PRO 59 1HG PRO 59 4.756 12.562 2.787 476 HD2 PRO 59 2HD PRO 59 5.288 10.895 0.372 477 HD3 PRO 59 1HD PRO 59 5.992 12.456 0.852 478 H ASN 60 H ASN 60 6.370 8.959 5.344 479 HA ASN 60 HA ASN 60 6.832 6.369 4.018 480 HB2 ASN 60 2HB ASN 60 8.300 5.686 5.830 481 HB3 ASN 60 1HB ASN 60 8.937 7.127 5.059 482 HD21 ASN 60 1HD2 ASN 60 9.569 6.136 7.648 483 HD22 ASN 60 2HD2 ASN 60 9.133 7.324 8.806 484 H GLU 61 H GLU 61 5.204 8.182 6.469 485 HA GLU 61 HA GLU 61 3.810 5.799 7.442 486 HB2 GLU 61 2HB GLU 61 4.751 7.361 9.099 487 HB3 GLU 61 1HB GLU 61 3.852 8.678 8.382 488 HG2 GLU 61 2HG GLU 61 2.728 8.083 10.379 489 HG3 GLU 61 1HG GLU 61 1.748 7.479 9.053 490 H TYR 62 H TYR 62 2.293 5.362 5.898 491 HA TYR 62 HA TYR 62 0.614 7.567 4.963 492 HB2 TYR 62 2HB TYR 62 1.142 4.849 3.779 493 HB3 TYR 62 1HB TYR 62 -0.140 5.908 3.201 494 HD1 TYR 62 1HD TYR 62 3.488 5.454 3.508 495 HD2 TYR 62 2HD TYR 62 0.380 7.812 1.826 496 HE1 TYR 62 1HE TYR 62 5.112 6.551 2.056 497 HE2 TYR 62 2HE TYR 62 1.993 8.919 0.357 498 HH TYR 62 HH TYR 62 5.253 7.780 0.079 499 H ILE 63 H ILE 63 -1.268 7.752 5.753 500 HA ILE 63 HA ILE 63 -2.404 5.469 7.230 501 HB ILE 63 HB ILE 63 -2.906 8.396 7.835 502 HG12 ILE 63 2HG1 ILE 63 -0.984 6.531 9.252 503 HG13 ILE 63 1HG1 ILE 63 -0.486 7.781 8.120 504 HG21 ILE 63 1HG2 ILE 63 -4.609 6.814 8.622 505 HG22 ILE 63 2HG2 ILE 63 -3.714 7.499 9.980 506 HG23 ILE 63 3HG2 ILE 63 -3.358 5.864 9.427 507 HD11 ILE 63 3HD1 ILE 63 -1.391 9.484 9.612 508 HD12 ILE 63 1HD1 ILE 63 -0.197 8.477 10.428 509 HD13 ILE 63 2HD1 ILE 63 -1.916 8.225 10.731 510 H ILE 64 H ILE 64 -4.066 4.694 6.106 511 HA ILE 64 HA ILE 64 -5.833 6.581 4.731 512 HB ILE 64 HB ILE 64 -5.671 3.547 4.385 513 HG12 ILE 64 2HG1 ILE 64 -5.037 4.153 1.983 514 HG13 ILE 64 1HG1 ILE 64 -4.787 5.794 2.559 515 HG21 ILE 64 1HG2 ILE 64 -7.400 5.542 2.931 516 HG22 ILE 64 2HG2 ILE 64 -7.946 4.357 4.114 517 HG23 ILE 64 3HG2 ILE 64 -7.293 3.819 2.564 518 HD11 ILE 64 3HD1 ILE 64 -2.703 4.592 2.371 519 HD12 ILE 64 1HD1 ILE 64 -3.299 3.352 3.475 520 HD13 ILE 64 2HD1 ILE 64 -3.039 4.996 4.057 521 H THR 65 H THR 65 -7.894 6.756 5.396 522 HA THR 65 HA THR 65 -8.610 5.137 7.723 523 HB THR 65 HB THR 65 -8.997 8.118 7.508 524 HG1 THR 65 1HG THR 65 -6.872 6.529 8.221 525 HG21 THR 65 3HG2 THR 65 -9.156 6.192 9.830 526 HG22 THR 65 1HG2 THR 65 -10.535 6.899 8.991 527 HG23 THR 65 2HG2 THR 65 -9.435 7.936 9.891 528 H LEU 66 H LEU 66 -10.527 4.279 7.531 529 HA LEU 66 HA LEU 66 -12.673 5.610 6.047 530 HB2 LEU 66 2HB LEU 66 -11.685 2.797 5.729 531 HB3 LEU 66 1HB LEU 66 -13.399 3.088 5.619 532 HG LEU 66 HG LEU 66 -12.513 2.943 3.425 533 HD11 LEU 66 1HD1 LEU 66 -14.267 4.539 3.698 534 HD12 LEU 66 2HD1 LEU 66 -13.134 5.073 2.455 535 HD13 LEU 66 3HD1 LEU 66 -13.101 5.816 4.048 536 HD21 LEU 66 3HD2 LEU 66 -10.165 3.440 3.855 537 HD22 LEU 66 1HD2 LEU 66 -10.568 5.130 4.158 538 HD23 LEU 66 2HD2 LEU 66 -10.783 4.448 2.546 539 H GLY 67 H GLY 67 -14.817 4.456 6.624 540 HA2 GLY 67 2HA GLY 67 -14.987 4.371 9.500 541 HA3 GLY 67 1HA GLY 67 -16.328 4.276 8.360 542 H VAL 68 H VAL 68 -16.454 2.592 10.394 543 HA VAL 68 HA VAL 68 -15.079 0.139 10.224 544 HB VAL 68 HB VAL 68 -17.820 0.736 11.379 545 HG11 VAL 68 1HG1 VAL 68 -17.541 -1.284 12.727 546 HG12 VAL 68 2HG1 VAL 68 -16.007 -1.617 11.936 547 HG13 VAL 68 3HG1 VAL 68 -17.509 -1.681 11.005 548 HG21 VAL 68 3HG2 VAL 68 -16.657 0.889 13.513 549 HG22 VAL 68 1HG2 VAL 68 -16.041 2.071 12.361 550 HG23 VAL 68 2HG2 VAL 68 -15.116 0.611 12.703 551 H HIS 69 H HIS 69 -18.148 1.183 8.964 552 HA HIS 69 HA HIS 69 -19.089 -1.239 7.865 553 HB2 HIS 69 2HB HIS 69 -20.512 0.689 8.437 554 HB3 HIS 69 1HB HIS 69 -19.717 1.653 7.212 555 HD1 HIS 69 1HD HIS 69 -22.590 -0.600 7.736 556 HD2 HIS 69 2HD HIS 69 -20.411 0.901 4.537 557 HE1 HIS 69 1HE HIS 69 -24.040 -0.899 5.708 558 H ASP 70 H ASP 70 -16.985 1.254 6.654 559 HA ASP 70 HA ASP 70 -17.095 0.353 3.905 560 HB2 ASP 70 2HB ASP 70 -15.233 2.357 5.198 561 HB3 ASP 70 1HB ASP 70 -15.539 2.171 3.474 562 H PHE 71 H PHE 71 -14.969 0.257 6.690 563 HA PHE 71 HA PHE 71 -12.669 -0.729 5.516 564 HB2 PHE 71 2HB PHE 71 -12.931 0.253 7.785 565 HB3 PHE 71 1HB PHE 71 -13.645 -1.263 8.321 566 HD1 PHE 71 1HD PHE 71 -12.234 -3.273 8.510 567 HD2 PHE 71 2HD PHE 71 -10.647 0.498 7.413 568 HE1 PHE 71 1HE PHE 71 -9.965 -4.094 9.017 569 HE2 PHE 71 2HE PHE 71 -8.367 -0.307 7.908 570 HZ PHE 71 HZ PHE 71 -8.030 -2.594 8.704 571 H GLU 72 H GLU 72 -15.569 -2.372 6.606 572 HA GLU 72 HA GLU 72 -14.794 -5.039 6.713 573 HB2 GLU 72 2HB GLU 72 -17.286 -4.039 5.383 574 HB3 GLU 72 1HB GLU 72 -17.021 -5.608 6.115 575 HG2 GLU 72 2HG GLU 72 -16.928 -4.545 8.303 576 HG3 GLU 72 1HG GLU 72 -17.212 -2.976 7.536 577 H LYS 73 H LYS 73 -15.502 -2.951 3.994 578 HA LYS 73 HA LYS 73 -15.531 -5.153 2.131 579 HB2 LYS 73 2HB LYS 73 -15.610 -2.237 1.404 580 HB3 LYS 73 1HB LYS 73 -16.224 -3.599 0.491 581 HG2 LYS 73 2HG LYS 73 -17.412 -2.404 2.999 582 HG3 LYS 73 1HG LYS 73 -18.052 -2.308 1.365 583 HD2 LYS 73 2HD LYS 73 -18.345 -4.790 1.411 584 HD3 LYS 73 1HD LYS 73 -17.847 -4.769 3.105 585 HE2 LYS 73 2HE LYS 73 -20.253 -3.362 1.921 586 HE3 LYS 73 1HE LYS 73 -20.282 -4.795 2.937 587 HZ1 LYS 73 3HZ LYS 73 -19.318 -2.108 3.812 588 HZ2 LYS 73 1HZ LYS 73 -19.503 -3.448 4.824 589 HZ3 LYS 73 2HZ LYS 73 -20.832 -2.719 4.111 590 H LEU 74 H LEU 74 -13.400 -2.634 3.224 591 HA LEU 74 HA LEU 74 -11.434 -2.627 1.222 592 HB2 LEU 74 2HB LEU 74 -11.148 -2.314 4.214 593 HB3 LEU 74 1HB LEU 74 -9.782 -2.191 3.136 594 HG LEU 74 HG LEU 74 -12.174 -0.318 3.088 595 HD11 LEU 74 1HD1 LEU 74 -10.688 1.276 4.148 596 HD12 LEU 74 2HD1 LEU 74 -9.392 0.084 4.166 597 HD13 LEU 74 3HD1 LEU 74 -10.816 -0.160 5.169 598 HD21 LEU 74 3HD2 LEU 74 -9.453 -0.095 1.800 599 HD22 LEU 74 1HD2 LEU 74 -10.787 1.034 1.635 600 HD23 LEU 74 2HD2 LEU 74 -10.889 -0.586 0.921 601 H GLY 75 H GLY 75 -11.829 -4.719 4.020 602 HA2 GLY 75 2HA GLY 75 -10.870 -6.974 2.748 603 HA3 GLY 75 1HA GLY 75 -9.535 -6.245 3.634 604 H ALA 76 H ALA 76 -10.710 -8.745 4.187 605 HA ALA 76 HA ALA 76 -12.391 -8.515 6.491 606 HB1 ALA 76 1HB ALA 76 -10.701 -10.836 5.563 607 HB2 ALA 76 2HB ALA 76 -12.377 -10.534 5.095 608 HB3 ALA 76 3HB ALA 76 -11.979 -10.908 6.775 609 H ASP 77 H ASP 77 -9.097 -8.174 5.918 610 HA ASP 77 HA ASP 77 -8.536 -7.912 8.753 611 HB2 ASP 77 2HB ASP 77 -7.711 -10.124 8.276 612 HB3 ASP 77 1HB ASP 77 -6.905 -9.573 6.812 613 HA PRO 78 HA PRO 78 -6.832 -4.093 7.237 614 HB2 PRO 78 2HB PRO 78 -4.901 -4.385 9.464 615 HB3 PRO 78 1HB PRO 78 -5.986 -3.046 9.094 616 HG2 PRO 78 2HG PRO 78 -6.489 -4.713 11.122 617 HG3 PRO 78 1HG PRO 78 -7.798 -4.059 10.128 618 HD2 PRO 78 2HD PRO 78 -6.596 -6.780 10.118 619 HD3 PRO 78 1HD PRO 78 -8.273 -6.268 9.834 620 H GLU 79 H GLU 79 -4.429 -6.465 8.429 621 HA GLU 79 HA GLU 79 -2.245 -5.272 7.080 622 HB2 GLU 79 2HB GLU 79 -2.439 -8.094 8.115 623 HB3 GLU 79 1HB GLU 79 -0.963 -7.218 7.737 624 HG2 GLU 79 2HG GLU 79 -2.912 -6.679 9.939 625 HG3 GLU 79 1HG GLU 79 -1.245 -7.221 10.091 626 H LEU 80 H LEU 80 -4.494 -7.724 6.286 627 HA LEU 80 HA LEU 80 -3.410 -9.025 4.111 628 HB2 LEU 80 2HB LEU 80 -5.632 -9.390 5.248 629 HB3 LEU 80 1HB LEU 80 -6.269 -8.045 4.346 630 HG LEU 80 HG LEU 80 -5.305 -10.659 3.134 631 HD11 LEU 80 1HD1 LEU 80 -8.077 -9.653 3.720 632 HD12 LEU 80 2HD1 LEU 80 -7.252 -11.006 4.502 633 HD13 LEU 80 3HD1 LEU 80 -7.694 -11.102 2.796 634 HD21 LEU 80 3HD2 LEU 80 -5.203 -8.780 1.550 635 HD22 LEU 80 1HD2 LEU 80 -6.889 -8.400 1.902 636 HD23 LEU 80 2HD2 LEU 80 -6.476 -9.926 1.117 637 H LYS 81 H LYS 81 -4.897 -5.807 4.223 638 HA LYS 81 HA LYS 81 -4.306 -5.498 1.379 639 HB2 LYS 81 2HB LYS 81 -5.740 -3.563 3.200 640 HB3 LYS 81 1HB LYS 81 -5.613 -3.453 1.455 641 HG2 LYS 81 2HG LYS 81 -7.074 -5.584 3.007 642 HG3 LYS 81 1HG LYS 81 -7.811 -4.244 2.147 643 HD2 LYS 81 2HD LYS 81 -6.146 -6.371 0.776 644 HD3 LYS 81 1HD LYS 81 -7.878 -6.521 1.016 645 HE2 LYS 81 2HE LYS 81 -7.557 -5.752 -1.211 646 HE3 LYS 81 1HE LYS 81 -8.136 -4.375 -0.291 647 HZ1 LYS 81 3HZ LYS 81 -5.287 -4.864 -0.974 648 HZ2 LYS 81 1HZ LYS 81 -5.912 -3.462 -0.273 649 HZ3 LYS 81 2HZ LYS 81 -6.313 -3.881 -1.846 650 H SER 82 H SER 82 -3.422 -4.181 4.540 651 HA SER 82 HA SER 82 -2.051 -1.931 3.692 652 HB2 SER 82 2HB SER 82 -1.538 -3.617 6.140 653 HB3 SER 82 1HB SER 82 -1.039 -1.943 5.904 654 HG SER 82 HG SER 82 -3.038 -2.286 7.101 655 H THR 83 H THR 83 -0.812 -5.225 4.215 656 HA THR 83 HA THR 83 1.890 -4.607 3.859 657 HB THR 83 HB THR 83 0.393 -7.183 3.374 658 HG1 THR 83 1HG THR 83 0.898 -5.785 5.579 659 HG21 THR 83 3HG2 THR 83 2.660 -7.217 2.389 660 HG22 THR 83 1HG2 THR 83 2.562 -8.284 3.791 661 HG23 THR 83 2HG2 THR 83 3.333 -6.705 3.937 662 H GLY 84 H GLY 84 -0.461 -5.982 1.521 663 HA2 GLY 84 2HA GLY 84 1.345 -6.071 -0.652 664 HA3 GLY 84 1HA GLY 84 -0.402 -6.205 -0.753 665 H PHE 85 H PHE 85 -0.991 -3.642 0.381 666 HA PHE 85 HA PHE 85 -0.722 -2.140 -2.017 667 HB2 PHE 85 2HB PHE 85 -2.759 -2.215 -0.519 668 HB3 PHE 85 1HB PHE 85 -1.873 -1.212 0.613 669 HD1 PHE 85 1HD PHE 85 -2.167 -1.001 -3.117 670 HD2 PHE 85 2HD PHE 85 -2.958 0.807 0.649 671 HE1 PHE 85 1HE PHE 85 -3.089 0.979 -4.259 672 HE2 PHE 85 2HE PHE 85 -3.866 2.783 -0.491 673 HZ PHE 85 HZ PHE 85 -3.934 2.873 -2.925 674 H ALA 86 H ALA 86 0.877 -2.103 1.137 675 HA ALA 86 HA ALA 86 2.175 0.391 0.829 676 HB1 ALA 86 1HB ALA 86 3.726 -0.331 2.559 677 HB2 ALA 86 2HB ALA 86 3.242 -2.012 2.333 678 HB3 ALA 86 3HB ALA 86 2.100 -0.850 3.000 679 H ARG 87 H ARG 87 2.994 -2.879 -0.193 680 HA ARG 87 HA ARG 87 5.507 -2.406 -1.169 681 HB2 ARG 87 2HB ARG 87 4.614 -4.607 -0.793 682 HB3 ARG 87 1HB ARG 87 3.347 -4.347 -1.978 683 HG2 ARG 87 2HG ARG 87 5.139 -5.776 -2.804 684 HG3 ARG 87 1HG ARG 87 4.962 -4.292 -3.747 685 HD2 ARG 87 2HD ARG 87 7.247 -4.744 -3.382 686 HD3 ARG 87 1HD ARG 87 6.813 -3.295 -2.504 687 HE ARG 87 HE ARG 87 6.691 -5.726 -0.960 688 HH11 ARG 87 1HH1 ARG 87 8.786 -3.068 -1.964 689 HH12 ARG 87 2HH1 ARG 87 9.852 -3.190 -0.656 690 HH21 ARG 87 1HH2 ARG 87 8.130 -5.898 0.883 691 HH22 ARG 87 2HH2 ARG 87 9.466 -4.859 1.012 692 H ASP 88 H ASP 88 2.354 -2.202 -2.781 693 HA ASP 88 HA ASP 88 3.396 -1.512 -5.347 694 HB2 ASP 88 2HB ASP 88 1.062 -2.449 -4.824 695 HB3 ASP 88 1HB ASP 88 0.619 -0.805 -4.379 696 H LEU 89 H LEU 89 2.418 0.364 -2.571 697 HA LEU 89 HA LEU 89 2.536 2.892 -3.863 698 HB2 LEU 89 2HB LEU 89 1.276 2.365 -1.736 699 HB3 LEU 89 1HB LEU 89 2.806 2.263 -0.908 700 HG LEU 89 HG LEU 89 1.523 4.359 -0.479 701 HD11 LEU 89 1HD1 LEU 89 3.886 4.361 -0.083 702 HD12 LEU 89 2HD1 LEU 89 3.370 5.925 -0.719 703 HD13 LEU 89 3HD1 LEU 89 4.197 4.772 -1.768 704 HD21 LEU 89 3HD2 LEU 89 1.436 6.106 -2.185 705 HD22 LEU 89 1HD2 LEU 89 0.548 4.670 -2.689 706 HD23 LEU 89 2HD2 LEU 89 2.144 5.004 -3.363 707 H ALA 90 H ALA 90 4.867 0.898 -2.091 708 HA ALA 90 HA ALA 90 6.992 2.744 -2.061 709 HB1 ALA 90 1HB ALA 90 7.219 -0.273 -2.227 710 HB2 ALA 90 2HB ALA 90 6.946 0.633 -0.745 711 HB3 ALA 90 3HB ALA 90 8.448 0.854 -1.628 712 H ASP 91 H ASP 91 5.878 0.418 -4.373 713 HA ASP 91 HA ASP 91 7.836 0.658 -6.353 714 HB2 ASP 91 2HB ASP 91 6.094 -1.073 -6.426 715 HB3 ASP 91 1HB ASP 91 4.858 0.156 -6.648 716 H TYR 92 H TYR 92 4.748 2.380 -6.000 717 HA TYR 92 HA TYR 92 5.000 4.201 -8.059 718 HB2 TYR 92 2HB TYR 92 3.541 4.325 -5.470 719 HB3 TYR 92 1HB TYR 92 3.694 5.797 -6.411 720 HD1 TYR 92 1HD TYR 92 3.144 5.412 -8.997 721 HD2 TYR 92 2HD TYR 92 1.617 3.094 -5.782 722 HE1 TYR 92 1HE TYR 92 1.202 4.797 -10.373 723 HE2 TYR 92 2HE TYR 92 -0.324 2.464 -7.151 724 HH TYR 92 HH TYR 92 -1.570 3.253 -9.077 725 H ILE 93 H ILE 93 6.150 4.678 -4.721 726 HA ILE 93 HA ILE 93 6.999 7.291 -5.304 727 HB ILE 93 HB ILE 93 8.260 7.307 -3.169 728 HG12 ILE 93 2HG1 ILE 93 7.399 4.415 -2.959 729 HG13 ILE 93 1HG1 ILE 93 9.047 4.957 -3.210 730 HG21 ILE 93 1HG2 ILE 93 5.886 7.824 -3.165 731 HG22 ILE 93 2HG2 ILE 93 6.331 6.972 -1.686 732 HG23 ILE 93 3HG2 ILE 93 5.503 6.113 -2.984 733 HD11 ILE 93 3HD1 ILE 93 7.373 5.501 -0.764 734 HD12 ILE 93 1HD1 ILE 93 9.032 6.044 -1.017 735 HD13 ILE 93 2HD1 ILE 93 8.674 4.320 -0.888 736 H GLN 94 H GLN 94 8.736 4.231 -5.504 737 HA GLN 94 HA GLN 94 11.242 5.465 -6.030 738 HB2 GLN 94 2HB GLN 94 10.252 2.706 -6.648 739 HB3 GLN 94 1HB GLN 94 11.884 3.251 -6.994 740 HG2 GLN 94 2HG GLN 94 10.552 2.989 -4.297 741 HG3 GLN 94 1HG GLN 94 11.857 1.993 -4.929 742 HE21 GLN 94 1HE2 GLN 94 11.757 3.480 -2.521 743 HE22 GLN 94 2HE2 GLN 94 13.049 4.622 -2.512 744 H GLU 95 H GLU 95 8.559 4.422 -8.067 745 HA GLU 95 HA GLU 95 9.822 4.701 -10.498 746 HB2 GLU 95 2HB GLU 95 6.947 5.039 -9.689 747 HB3 GLU 95 1HB GLU 95 7.467 5.118 -11.356 748 HG2 GLU 95 2HG GLU 95 7.721 2.771 -9.502 749 HG3 GLU 95 1HG GLU 95 6.586 2.932 -10.839 750 H GLN 96 H GLN 96 8.245 6.998 -8.396 751 HA GLN 96 HA GLN 96 8.492 9.209 -10.222 752 HB2 GLN 96 2HB GLN 96 7.894 9.243 -7.278 753 HB3 GLN 96 1HB GLN 96 7.628 10.560 -8.401 754 HG2 GLN 96 2HG GLN 96 6.180 7.928 -8.231 755 HG3 GLN 96 1HG GLN 96 5.527 9.546 -7.981 756 HE21 GLN 96 1HE2 GLN 96 4.718 7.409 -9.766 757 HE22 GLN 96 2HE2 GLN 96 4.734 8.038 -11.351 758 H GLY 97 H GLY 97 10.559 7.651 -8.100 759 HA2 GLY 97 2HA GLY 97 12.851 8.064 -7.972 760 HA3 GLY 97 1HA GLY 97 12.562 9.686 -8.579 761 H TRP 98 H TRP 98 10.674 8.495 -5.944 762 HA TRP 98 HA TRP 98 11.991 10.502 -4.268 763 HB2 TRP 98 2HB TRP 98 9.375 9.070 -3.826 764 HB3 TRP 98 1HB TRP 98 10.021 10.403 -2.876 765 HD1 TRP 98 HD TRP 98 10.880 12.215 -5.431 766 HE1 TRP 98 1HE TRP 98 9.025 13.429 -6.728 767 HE3 TRP 98 3HE TRP 98 6.909 9.373 -3.982 768 HZ2 TRP 98 2HZ TRP 98 6.227 13.216 -7.081 769 HZ3 TRP 98 3HZ TRP 98 4.668 9.937 -4.844 770 HH2 TRP 98 HH TRP 98 4.341 11.817 -6.360 771 H GLN 99 H GLN 99 12.618 10.111 -2.230 772 HA GLN 99 HA GLN 99 12.905 7.302 -1.433 773 HB2 GLN 99 2HB GLN 99 15.109 7.931 -0.398 774 HB3 GLN 99 1HB GLN 99 15.046 7.987 -2.162 775 HG2 GLN 99 2HG GLN 99 14.978 10.355 -2.173 776 HG3 GLN 99 1HG GLN 99 14.808 10.416 -0.420 777 HE21 GLN 99 1HE2 GLN 99 16.586 10.230 0.816 778 HE22 GLN 99 2HE2 GLN 99 18.201 10.150 0.208 779 H THR 100 H THR 100 13.650 7.402 1.123 780 HA THR 100 HA THR 100 12.383 9.490 2.523 781 HB THR 100 HB THR 100 10.399 8.172 1.682 782 HG1 THR 100 1HG THR 100 9.656 9.020 3.351 783 HG21 THR 100 3HG2 THR 100 11.371 5.914 1.726 784 HG22 THR 100 1HG2 THR 100 9.906 5.980 2.709 785 HG23 THR 100 2HG2 THR 100 11.490 5.992 3.483 786 H TYR 101 H TYR 101 12.110 8.477 4.953 787 HA TYR 101 HA TYR 101 14.648 7.066 5.471 788 HB2 TYR 101 2HB TYR 101 13.173 9.024 7.254 789 HB3 TYR 101 1HB TYR 101 14.549 8.068 7.762 790 HD1 TYR 101 1HD TYR 101 16.714 8.396 6.220 791 HD2 TYR 101 2HD TYR 101 13.527 11.189 6.593 792 HE1 TYR 101 1HE TYR 101 18.233 10.216 5.538 793 HE2 TYR 101 2HE TYR 101 15.035 13.003 5.904 794 HH TYR 101 HH TYR 101 18.057 12.494 4.522 795 H GLY 102 H GLY 102 14.301 5.042 6.081 796 HA2 GLY 102 2HA GLY 102 13.550 3.658 7.914 797 HA3 GLY 102 1HA GLY 102 12.047 4.580 7.916 798 H ASP 103 H ASP 103 10.835 2.725 7.684 799 HA ASP 103 HA ASP 103 10.972 1.541 5.007 800 HB2 ASP 103 2HB ASP 103 9.529 0.477 7.471 801 HB3 ASP 103 1HB ASP 103 9.546 -0.281 5.896 802 H VAL 104 H VAL 104 9.104 1.617 3.763 803 HA VAL 104 HA VAL 104 7.286 3.712 4.507 804 HB VAL 104 HB VAL 104 8.059 3.358 2.071 805 HG11 VAL 104 1HG1 VAL 104 8.045 1.003 1.978 806 HG12 VAL 104 2HG1 VAL 104 7.013 1.750 0.746 807 HG13 VAL 104 3HG1 VAL 104 6.279 0.991 2.161 808 HG21 VAL 104 3HG2 VAL 104 6.080 4.708 2.567 809 HG22 VAL 104 1HG2 VAL 104 5.079 3.261 2.518 810 HG23 VAL 104 2HG2 VAL 104 5.897 3.818 1.056 811 H VAL 105 H VAL 105 5.125 3.432 5.105 812 HA VAL 105 HA VAL 105 4.143 0.734 5.179 813 HB VAL 105 HB VAL 105 5.124 1.069 7.411 814 HG11 VAL 105 1HG1 VAL 105 3.244 3.396 7.725 815 HG12 VAL 105 2HG1 VAL 105 4.999 3.477 7.606 816 HG13 VAL 105 3HG1 VAL 105 4.246 2.701 9.001 817 HG21 VAL 105 3HG2 VAL 105 2.107 1.046 7.454 818 HG22 VAL 105 1HG2 VAL 105 3.144 0.533 8.784 819 HG23 VAL 105 2HG2 VAL 105 3.164 -0.349 7.253 820 H VAL 106 H VAL 106 2.231 0.639 4.415 821 HA VAL 106 HA VAL 106 0.563 3.033 4.394 822 HB VAL 106 HB VAL 106 0.578 0.614 2.533 823 HG11 VAL 106 1HG1 VAL 106 -1.224 1.729 1.315 824 HG12 VAL 106 2HG1 VAL 106 -1.290 2.975 2.564 825 HG13 VAL 106 3HG1 VAL 106 -1.722 1.309 2.956 826 HG21 VAL 106 3HG2 VAL 106 1.097 3.536 2.008 827 HG22 VAL 106 1HG2 VAL 106 1.082 2.257 0.794 828 HG23 VAL 106 2HG2 VAL 106 2.312 2.262 2.062 829 H ARG 107 H ARG 107 -0.874 2.969 5.893 830 HA ARG 107 HA ARG 107 -1.735 0.352 6.878 831 HB2 ARG 107 2HB ARG 107 -0.135 1.240 8.358 832 HB3 ARG 107 1HB ARG 107 -0.900 2.822 8.344 833 HG2 ARG 107 2HG ARG 107 -2.784 1.911 9.579 834 HG3 ARG 107 1HG ARG 107 -2.031 0.312 9.555 835 HD2 ARG 107 2HD ARG 107 -1.671 1.580 11.680 836 HD3 ARG 107 1HD ARG 107 -0.188 1.080 10.863 837 HE ARG 107 HE ARG 107 0.300 3.279 10.385 838 HH11 ARG 107 1HH1 ARG 107 -2.881 3.108 11.920 839 HH12 ARG 107 2HH1 ARG 107 -3.012 4.760 12.243 840 HH21 ARG 107 1HH2 ARG 107 0.261 5.451 10.877 841 HH22 ARG 107 2HH2 ARG 107 -1.053 6.174 11.721 842 H PHE 108 H PHE 108 -3.789 0.140 7.383 843 HA PHE 108 HA PHE 108 -5.614 2.344 6.712 844 HB2 PHE 108 2HB PHE 108 -6.042 -0.655 6.606 845 HB3 PHE 108 1HB PHE 108 -7.304 0.538 6.344 846 HD1 PHE 108 2HD PHE 108 -4.082 -0.714 4.997 847 HD2 PHE 108 1HD PHE 108 -7.641 1.485 4.251 848 HE1 PHE 108 2HE PHE 108 -3.542 -0.655 2.600 849 HE2 PHE 108 1HE PHE 108 -7.109 1.542 1.856 850 HZ PHE 108 HZ PHE 108 -5.060 0.475 1.029 851 H GLU 109 H GLU 109 -6.898 3.100 8.278 852 HA GLU 109 HA GLU 109 -7.411 1.392 10.577 853 HB2 GLU 109 2HB GLU 109 -7.249 3.358 12.105 854 HB3 GLU 109 1HB GLU 109 -5.717 2.881 11.397 855 HG2 GLU 109 2HG GLU 109 -5.768 4.740 9.896 856 HG3 GLU 109 1HG GLU 109 -7.411 5.146 10.380 857 H GLN 110 H GLN 110 -9.196 2.252 11.918 858 HA GLN 110 HA GLN 110 -11.375 3.153 10.173 859 HB2 GLN 110 2HB GLN 110 -11.411 1.550 12.729 860 HB3 GLN 110 1HB GLN 110 -12.851 2.103 11.886 861 HG2 GLN 110 2HG GLN 110 -12.357 0.780 10.004 862 HG3 GLN 110 1HG GLN 110 -10.752 0.412 10.629 863 HE21 GLN 110 1HE2 GLN 110 -10.572 -1.115 12.283 864 HE22 GLN 110 2HE2 GLN 110 -11.835 -2.197 12.680 865 H SER 111 H SER 111 -12.607 4.788 10.798 866 HA SER 111 HA SER 111 -11.701 6.280 13.164 867 HB2 SER 111 2HB SER 111 -12.478 8.294 11.850 868 HB3 SER 111 1HB SER 111 -11.015 7.479 11.291 869 HG SER 111 HG SER 111 -13.643 7.221 10.220 870 H SER 112 H SER 112 -13.146 6.903 14.606 871 HA SER 112 HA SER 112 -15.944 6.328 14.301 872 HB2 SER 112 2HB SER 112 -14.479 7.789 16.505 873 HB3 SER 112 1HB SER 112 -16.076 7.038 16.606 874 HG SER 112 HG SER 112 -14.477 5.199 15.709 875 H ASN 113 H ASN 113 -13.790 9.153 14.396 876 HA ASN 113 HA ASN 113 -15.865 11.095 14.396 877 HB2 ASN 113 2HB ASN 113 -12.870 11.265 14.127 878 HB3 ASN 113 1HB ASN 113 -13.926 12.664 14.155 879 HD21 ASN 113 1HD2 ASN 113 -12.950 13.437 16.053 880 HD22 ASN 113 2HD2 ASN 113 -13.242 12.687 17.583 881 H LEU 114 H LEU 114 -14.104 9.433 12.003 882 HA LEU 114 HA LEU 114 -15.200 11.196 9.918 883 HB2 LEU 114 2HB LEU 114 -12.654 10.942 10.043 884 HB3 LEU 114 1HB LEU 114 -12.883 9.241 9.713 885 HG LEU 114 HG LEU 114 -13.975 9.934 7.536 886 HD11 LEU 114 1HD1 LEU 114 -14.496 12.226 8.083 887 HD12 LEU 114 2HD1 LEU 114 -13.410 12.169 6.697 888 HD13 LEU 114 3HD1 LEU 114 -12.785 12.594 8.289 889 HD21 LEU 114 3HD2 LEU 114 -11.831 10.316 6.423 890 HD22 LEU 114 1HD2 LEU 114 -11.708 9.047 7.640 891 HD23 LEU 114 2HD2 LEU 114 -11.081 10.660 7.984 892 H HIS 115 H HIS 115 -16.518 10.000 8.377 893 HA HIS 115 HA HIS 115 -16.874 7.210 9.136 894 HB2 HIS 115 2HB HIS 115 -18.323 8.716 10.574 895 HB3 HIS 115 1HB HIS 115 -19.219 9.122 9.120 896 HD1 HIS 115 1HD HIS 115 -21.223 7.667 8.730 897 HD2 HIS 115 2HD HIS 115 -18.366 5.831 11.105 898 HE1 HIS 115 1HE HIS 115 -22.179 5.442 9.371 899 H THR 116 H THR 116 -18.679 6.212 7.761 900 HA THR 116 HA THR 116 -18.035 5.690 5.274 901 HB THR 116 HB THR 116 -20.816 5.931 6.395 902 HG1 THR 116 1HG THR 116 -18.817 3.951 6.355 903 HG21 THR 116 3HG2 THR 116 -21.418 4.158 4.784 904 HG22 THR 116 1HG2 THR 116 -19.782 4.211 4.120 905 HG23 THR 116 2HG2 THR 116 -20.853 5.600 3.940 906 H GLY 117 H GLY 117 -17.916 6.641 3.395 907 HA2 GLY 117 2HA GLY 117 -18.845 7.928 1.611 908 HA3 GLY 117 1HA GLY 117 -19.558 9.006 2.815 909 H GLN 118 H GLN 118 -17.004 8.756 4.377 910 HA GLN 118 HA GLN 118 -15.501 10.743 2.857 911 HB2 GLN 118 2HB GLN 118 -15.729 10.279 5.814 912 HB3 GLN 118 1HB GLN 118 -14.715 11.497 5.064 913 HG2 GLN 118 2HG GLN 118 -16.615 12.622 4.209 914 HG3 GLN 118 1HG GLN 118 -17.695 11.355 4.800 915 HE21 GLN 118 1HE2 GLN 118 -18.017 11.137 7.008 916 HE22 GLN 118 2HE2 GLN 118 -17.686 12.416 8.116 917 H PHE 119 H PHE 119 -13.535 10.142 2.297 918 HA PHE 119 HA PHE 119 -12.243 8.083 3.929 919 HB2 PHE 119 2HB PHE 119 -11.214 7.055 2.038 920 HB3 PHE 119 1HB PHE 119 -12.906 7.237 1.611 921 HD1 PHE 119 1HD PHE 119 -13.551 9.009 -0.049 922 HD2 PHE 119 2HD PHE 119 -9.489 8.064 0.801 923 HE1 PHE 119 1HE PHE 119 -12.846 10.121 -2.136 924 HE2 PHE 119 2HE PHE 119 -8.787 9.173 -1.267 925 HZ PHE 119 HZ PHE 119 -10.472 10.206 -2.743 926 H ARG 120 H ARG 120 -10.047 8.353 4.249 927 HA ARG 120 HA ARG 120 -8.895 10.826 3.230 928 HB2 ARG 120 2HB ARG 120 -9.727 11.219 5.517 929 HB3 ARG 120 1HB ARG 120 -8.754 9.852 6.063 930 HG2 ARG 120 2HG ARG 120 -7.662 11.893 6.704 931 HG3 ARG 120 1HG ARG 120 -6.720 11.108 5.441 932 HD2 ARG 120 2HD ARG 120 -8.719 13.195 4.674 933 HD3 ARG 120 1HD ARG 120 -7.206 13.710 5.404 934 HE ARG 120 HE ARG 120 -6.111 12.461 3.497 935 HH11 ARG 120 1HH1 ARG 120 -9.404 13.774 3.048 936 HH12 ARG 120 2HH1 ARG 120 -9.092 14.233 1.433 937 HH21 ARG 120 1HH2 ARG 120 -5.739 13.221 1.252 938 HH22 ARG 120 2HH2 ARG 120 -7.059 13.901 0.435 939 H ALA 121 H ALA 121 -6.874 10.667 2.867 940 HA ALA 121 HA ALA 121 -5.322 8.301 3.557 941 HB1 ALA 121 1HB ALA 121 -5.610 9.529 0.794 942 HB2 ALA 121 2HB ALA 121 -6.095 7.897 1.256 943 HB3 ALA 121 3HB ALA 121 -4.386 8.341 1.229 944 H ARG 122 H ARG 122 -3.184 8.968 4.003 945 HA ARG 122 HA ARG 122 -2.381 11.608 3.224 946 HB2 ARG 122 2HB ARG 122 -2.081 12.506 5.420 947 HB3 ARG 122 1HB ARG 122 -3.764 12.043 5.225 948 HG2 ARG 122 2HG ARG 122 -3.312 10.019 6.511 949 HG3 ARG 122 1HG ARG 122 -1.638 10.545 6.722 950 HD2 ARG 122 2HD ARG 122 -4.141 11.850 7.751 951 HD3 ARG 122 1HD ARG 122 -2.773 11.177 8.651 952 HE ARG 122 HE ARG 122 -2.562 13.575 6.957 953 HH11 ARG 122 1HH1 ARG 122 -1.741 11.877 9.975 954 HH12 ARG 122 2HH1 ARG 122 -0.887 13.175 10.626 955 HH21 ARG 122 1HH2 ARG 122 -1.428 15.390 7.909 956 HH22 ARG 122 2HH2 ARG 122 -0.748 15.214 9.459 957 H GLY 123 H GLY 123 -0.186 12.072 3.962 958 HA2 GLY 123 2HA GLY 123 1.321 9.677 4.624 959 HA3 GLY 123 1HA GLY 123 1.728 10.585 3.168 960 H THR 124 H THR 124 2.508 10.182 6.300 961 HA THR 124 HA THR 124 3.444 12.922 6.629 962 HB THR 124 HB THR 124 3.112 10.691 8.655 963 HG1 THR 124 1HG THR 124 1.420 12.785 7.778 964 HG21 THR 124 3HG2 THR 124 3.311 12.492 10.307 965 HG22 THR 124 1HG2 THR 124 3.527 13.663 8.998 966 HG23 THR 124 2HG2 THR 124 4.744 12.414 9.272 967 H VAL 125 H VAL 125 5.660 13.228 7.000 968 HA VAL 125 HA VAL 125 7.408 10.959 6.386 969 HB VAL 125 HB VAL 125 8.080 13.919 6.574 970 HG11 VAL 125 1HG1 VAL 125 10.199 13.293 5.497 971 HG12 VAL 125 2HG1 VAL 125 9.712 11.598 5.566 972 HG13 VAL 125 3HG1 VAL 125 9.978 12.496 7.057 973 HG21 VAL 125 3HG2 VAL 125 8.176 14.009 4.197 974 HG22 VAL 125 1HG2 VAL 125 6.597 13.363 4.628 975 HG23 VAL 125 2HG2 VAL 125 7.898 12.290 4.045 976 H ASN 126 H ASN 126 8.024 9.942 8.221 977 HA ASN 126 HA ASN 126 8.348 11.504 10.638 978 HB2 ASN 126 2HB ASN 126 7.335 9.216 10.769 979 HB3 ASN 126 1HB ASN 126 8.845 8.537 10.172 980 HD21 ASN 126 1HD2 ASN 126 8.961 7.272 12.090 981 HD22 ASN 126 2HD2 ASN 126 9.484 7.973 13.574 982 HA PRO 127 HA PRO 127 12.494 12.107 8.999 983 HB2 PRO 127 2HB PRO 127 12.969 13.944 11.207 984 HB3 PRO 127 1HB PRO 127 12.847 14.283 9.479 985 HG2 PRO 127 2HG PRO 127 10.969 15.070 11.280 986 HG3 PRO 127 1HG PRO 127 10.595 14.698 9.587 987 HD2 PRO 127 2HD PRO 127 10.217 13.008 12.031 988 HD3 PRO 127 1HD PRO 127 9.147 13.248 10.627 989 H ASP 128 H ASP 128 11.852 11.539 12.397 990 HA ASP 128 HA ASP 128 14.601 10.635 12.635 991 HB2 ASP 128 2HB ASP 128 13.953 12.306 14.329 992 HB3 ASP 128 1HB ASP 128 12.687 11.226 14.903 993 H VAL 129 H VAL 129 13.909 8.950 11.360 994 HA VAL 129 HA VAL 129 13.536 6.718 13.118 995 HB VAL 129 HB VAL 129 11.269 6.996 12.252 996 HG11 VAL 129 1HG1 VAL 129 11.678 8.162 10.194 997 HG12 VAL 129 2HG1 VAL 129 10.710 6.721 9.895 998 HG13 VAL 129 3HG1 VAL 129 12.428 6.724 9.499 999 HG21 VAL 129 3HG2 VAL 129 10.911 4.756 11.279 1000 HG22 VAL 129 1HG2 VAL 129 11.988 4.731 12.677 1001 HG23 VAL 129 2HG2 VAL 129 12.653 4.608 11.049 1002 H GLU 130 H GLU 130 15.433 5.994 13.000 1003 HA GLU 130 HA GLU 130 16.898 5.847 10.529 1004 HB2 GLU 130 2HB GLU 130 17.495 4.784 13.280 1005 HB3 GLU 130 1HB GLU 130 18.600 4.717 11.918 1006 HG2 GLU 130 2HG GLU 130 18.694 7.126 11.844 1007 HG3 GLU 130 1HG GLU 130 17.513 7.225 13.155 1008 H THR 131 H THR 131 17.392 3.958 9.445 1009 HA THR 131 HA THR 131 15.588 1.807 10.022 1010 HB THR 131 HB THR 131 15.775 2.431 7.662 1011 HG1 THR 131 1HG THR 131 15.690 0.074 8.363 1012 HG21 THR 131 3HG2 THR 131 17.865 2.085 6.394 1013 HG22 THR 131 1HG2 THR 131 18.651 1.677 7.928 1014 HG23 THR 131 2HG2 THR 131 18.036 3.314 7.669 1015 H HIS 132 H HIS 132 16.122 0.628 11.551 1016 HA HIS 132 HA HIS 132 18.574 -0.816 11.568 1017 HB2 HIS 132 2HB HIS 132 19.105 -0.364 13.958 1018 HB3 HIS 132 1HB HIS 132 19.215 1.098 13.002 1019 HD1 HIS 132 1HD HIS 132 17.985 -0.082 16.161 1020 HD2 HIS 132 2HD HIS 132 16.731 2.741 13.386 1021 HE1 HIS 132 1HE HIS 132 16.454 1.469 17.396 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -14.407 34.827 -1.995 2 H2 MET 1 2HT MET 1 -14.955 36.081 -1.027 3 H3 MET 1 3HT MET 1 -14.388 36.393 -2.599 4 HA MET 1 HA MET 1 -16.769 34.790 -1.927 5 HB2 MET 1 2HB MET 1 -16.530 37.530 -3.197 6 HB3 MET 1 1HB MET 1 -18.016 36.610 -3.069 7 HG2 MET 1 2HG MET 1 -16.399 37.602 -0.734 8 HG3 MET 1 1HG MET 1 -17.819 38.400 -1.397 9 HE1 MET 1 2HE MET 1 -18.902 38.436 1.007 10 HE2 MET 1 3HE MET 1 -17.485 37.624 1.673 11 HE3 MET 1 1HE MET 1 -19.100 37.006 2.018 12 H GLY 2 H GLY 2 -17.402 33.484 -3.515 13 HA2 GLY 2 2HA GLY 2 -17.692 33.565 -6.053 14 HA3 GLY 2 1HA GLY 2 -15.933 33.635 -6.044 15 H SER 3 H SER 3 -18.507 31.617 -6.331 16 HA SER 3 HA SER 3 -17.602 29.368 -4.936 17 HB2 SER 3 2HB SER 3 -19.269 28.261 -6.595 18 HB3 SER 3 1HB SER 3 -19.885 29.407 -5.404 19 HG SER 3 HG SER 3 -20.715 29.819 -7.426 20 H GLN 4 H GLN 4 -16.572 27.513 -5.732 21 HA GLN 4 HA GLN 4 -14.575 28.151 -7.692 22 HB2 GLN 4 2HB GLN 4 -13.986 27.026 -5.574 23 HB3 GLN 4 1HB GLN 4 -14.961 25.647 -6.049 24 HG2 GLN 4 2HG GLN 4 -13.485 25.229 -7.938 25 HG3 GLN 4 1HG GLN 4 -12.530 26.646 -7.514 26 HE21 GLN 4 1HE2 GLN 4 -11.171 26.538 -5.741 27 HE22 GLN 4 2HE2 GLN 4 -10.730 25.054 -4.990 28 H LYS 5 H LYS 5 -14.649 27.633 -9.727 29 HA LYS 5 HA LYS 5 -15.962 25.221 -10.611 30 HB2 LYS 5 2HB LYS 5 -17.215 26.277 -12.378 31 HB3 LYS 5 1HB LYS 5 -17.614 27.164 -10.928 32 HG2 LYS 5 2HG LYS 5 -15.539 28.117 -12.907 33 HG3 LYS 5 1HG LYS 5 -17.239 28.538 -13.034 34 HD2 LYS 5 2HD LYS 5 -15.581 29.110 -10.585 35 HD3 LYS 5 1HD LYS 5 -15.714 30.246 -11.922 36 HE2 LYS 5 2HE LYS 5 -17.997 29.188 -10.242 37 HE3 LYS 5 1HE LYS 5 -17.278 30.788 -10.123 38 HZ1 LYS 5 3HZ LYS 5 -19.274 30.921 -11.391 39 HZ2 LYS 5 1HZ LYS 5 -18.773 29.700 -12.444 40 HZ3 LYS 5 2HZ LYS 5 -17.987 31.185 -12.444 41 H ARG 6 H ARG 6 -14.902 24.429 -12.499 42 HA ARG 6 HA ARG 6 -12.332 25.762 -12.909 43 HB2 ARG 6 2HB ARG 6 -11.490 23.642 -13.747 44 HB3 ARG 6 1HB ARG 6 -12.224 23.406 -12.167 45 HG2 ARG 6 2HG ARG 6 -14.208 22.574 -13.183 46 HG3 ARG 6 1HG ARG 6 -13.521 22.860 -14.787 47 HD2 ARG 6 2HD ARG 6 -11.681 21.263 -14.158 48 HD3 ARG 6 1HD ARG 6 -12.604 20.881 -12.702 49 HE ARG 6 HE ARG 6 -14.328 20.587 -14.818 50 HH11 ARG 6 1HH1 ARG 6 -11.336 19.011 -13.680 51 HH12 ARG 6 2HH1 ARG 6 -11.651 17.544 -14.479 52 HH21 ARG 6 1HH2 ARG 6 -14.744 18.536 -15.893 53 HH22 ARG 6 2HH2 ARG 6 -13.642 17.245 -15.726 54 H LEU 7 H LEU 7 -11.691 26.423 -14.952 55 HA LEU 7 HA LEU 7 -13.840 26.241 -16.905 56 HB2 LEU 7 2HB LEU 7 -12.885 28.541 -16.141 57 HB3 LEU 7 1HB LEU 7 -11.499 28.136 -17.125 58 HG LEU 7 HG LEU 7 -13.075 29.675 -18.263 59 HD11 LEU 7 1HD1 LEU 7 -11.691 28.252 -19.660 60 HD12 LEU 7 2HD1 LEU 7 -13.267 28.535 -20.393 61 HD13 LEU 7 3HD1 LEU 7 -12.923 26.991 -19.609 62 HD21 LEU 7 3HD2 LEU 7 -15.234 28.873 -19.025 63 HD22 LEU 7 1HD2 LEU 7 -15.139 28.895 -17.265 64 HD23 LEU 7 2HD2 LEU 7 -15.008 27.369 -18.146 65 H VAL 8 H VAL 8 -13.407 24.241 -17.507 66 HA VAL 8 HA VAL 8 -11.707 23.877 -19.682 67 HB VAL 8 HB VAL 8 -9.974 23.597 -17.879 68 HG11 VAL 8 1HG1 VAL 8 -11.363 22.899 -16.045 69 HG12 VAL 8 2HG1 VAL 8 -10.069 21.729 -16.311 70 HG13 VAL 8 3HG1 VAL 8 -11.708 21.370 -16.854 71 HG21 VAL 8 3HG2 VAL 8 -9.112 21.386 -18.504 72 HG22 VAL 8 1HG2 VAL 8 -9.710 22.271 -19.906 73 HG23 VAL 8 2HG2 VAL 8 -10.679 20.978 -19.203 74 H GLN 9 H GLN 9 -12.320 21.831 -20.658 75 HA GLN 9 HA GLN 9 -14.922 20.936 -19.737 76 HB2 GLN 9 2HB GLN 9 -13.277 20.033 -22.115 77 HB3 GLN 9 1HB GLN 9 -14.941 19.582 -21.793 78 HG2 GLN 9 2HG GLN 9 -15.585 21.951 -21.997 79 HG3 GLN 9 1HG GLN 9 -13.918 22.336 -22.417 80 HE21 GLN 9 1HE2 GLN 9 -16.327 22.678 -23.952 81 HE22 GLN 9 2HE2 GLN 9 -16.123 21.801 -25.418 82 H ARG 10 H ARG 10 -14.925 18.245 -20.350 83 HA ARG 10 HA ARG 10 -13.424 17.134 -18.197 84 HB2 ARG 10 2HB ARG 10 -15.645 16.240 -18.826 85 HB3 ARG 10 1HB ARG 10 -14.990 15.761 -20.383 86 HG2 ARG 10 2HG ARG 10 -13.491 14.178 -19.256 87 HG3 ARG 10 1HG ARG 10 -14.188 14.639 -17.703 88 HD2 ARG 10 2HD ARG 10 -15.186 12.565 -18.554 89 HD3 ARG 10 1HD ARG 10 -16.382 13.856 -18.443 90 HE ARG 10 HE ARG 10 -15.602 14.091 -20.967 91 HH11 ARG 10 1HH1 ARG 10 -16.582 11.178 -19.159 92 HH12 ARG 10 2HH1 ARG 10 -17.126 10.367 -20.535 93 HH21 ARG 10 1HH2 ARG 10 -16.385 12.977 -22.817 94 HH22 ARG 10 2HH2 ARG 10 -17.035 11.393 -22.662 95 H VAL 11 H VAL 11 -11.395 17.823 -18.876 96 HA VAL 11 HA VAL 11 -10.085 16.043 -20.798 97 HB VAL 11 HB VAL 11 -9.330 18.915 -20.142 98 HG11 VAL 11 1HG1 VAL 11 -7.399 17.587 -20.633 99 HG12 VAL 11 2HG1 VAL 11 -7.707 18.686 -21.980 100 HG13 VAL 11 3HG1 VAL 11 -8.136 16.977 -22.113 101 HG21 VAL 11 3HG2 VAL 11 -10.538 17.794 -22.670 102 HG22 VAL 11 1HG2 VAL 11 -9.955 19.446 -22.457 103 HG23 VAL 11 2HG2 VAL 11 -11.334 18.868 -21.518 104 H GLU 12 H GLU 12 -9.100 14.636 -19.547 105 HA GLU 12 HA GLU 12 -8.064 15.453 -16.952 106 HB2 GLU 12 2HB GLU 12 -9.475 13.367 -17.367 107 HB3 GLU 12 1HB GLU 12 -8.070 12.703 -18.183 108 HG2 GLU 12 2HG GLU 12 -8.132 11.856 -15.953 109 HG3 GLU 12 1HG GLU 12 -6.789 12.994 -16.074 110 H ARG 13 H ARG 13 -7.076 14.070 -20.045 111 HA ARG 13 HA ARG 13 -5.135 13.495 -20.997 112 HB2 ARG 13 2HB ARG 13 -3.923 15.722 -19.333 113 HB3 ARG 13 1HB ARG 13 -3.171 14.953 -20.717 114 HG2 ARG 13 2HG ARG 13 -4.968 15.860 -22.137 115 HG3 ARG 13 1HG ARG 13 -5.623 16.680 -20.715 116 HD2 ARG 13 2HD ARG 13 -2.906 17.094 -21.954 117 HD3 ARG 13 1HD ARG 13 -4.250 18.236 -21.952 118 HE ARG 13 HE ARG 13 -3.840 17.830 -19.335 119 HH11 ARG 13 1HH1 ARG 13 -1.659 18.733 -21.964 120 HH12 ARG 13 2HH1 ARG 13 -0.552 19.541 -20.953 121 HH21 ARG 13 1HH2 ARG 13 -2.303 18.898 -17.934 122 HH22 ARG 13 2HH2 ARG 13 -0.924 19.626 -18.591 123 H LYS 14 H LYS 14 -5.517 11.629 -19.625 124 HA LYS 14 HA LYS 14 -3.671 11.479 -17.407 125 HB2 LYS 14 2HB LYS 14 -6.103 10.721 -17.239 126 HB3 LYS 14 1HB LYS 14 -5.639 9.355 -18.240 127 HG2 LYS 14 2HG LYS 14 -5.669 8.729 -15.902 128 HG3 LYS 14 1HG LYS 14 -4.019 8.665 -16.526 129 HD2 LYS 14 2HD LYS 14 -3.483 10.775 -15.487 130 HD3 LYS 14 1HD LYS 14 -5.165 11.016 -15.007 131 HE2 LYS 14 2HE LYS 14 -3.343 8.814 -14.039 132 HE3 LYS 14 1HE LYS 14 -3.748 10.277 -13.143 133 HZ1 LYS 14 3HZ LYS 14 -6.090 9.575 -13.187 134 HZ2 LYS 14 1HZ LYS 14 -5.095 8.462 -12.421 135 HZ3 LYS 14 2HZ LYS 14 -5.648 8.142 -13.967 136 H LEU 15 H LEU 15 -1.855 11.522 -18.726 137 HA LEU 15 HA LEU 15 -1.404 9.158 -20.338 138 HB2 LEU 15 2HB LEU 15 0.739 10.258 -21.025 139 HB3 LEU 15 1HB LEU 15 -0.697 11.143 -21.460 140 HG LEU 15 HG LEU 15 -0.208 12.639 -19.438 141 HD11 LEU 15 1HD1 LEU 15 2.497 11.324 -19.620 142 HD12 LEU 15 2HD1 LEU 15 1.375 11.205 -18.266 143 HD13 LEU 15 3HD1 LEU 15 2.103 12.759 -18.673 144 HD21 LEU 15 3HD2 LEU 15 0.142 13.373 -21.706 145 HD22 LEU 15 1HD2 LEU 15 1.715 12.572 -21.747 146 HD23 LEU 15 2HD2 LEU 15 1.457 13.944 -20.674 147 H GLU 16 H GLU 16 -0.707 10.451 -17.306 148 HA GLU 16 HA GLU 16 1.351 8.519 -16.712 149 HB2 GLU 16 2HB GLU 16 1.315 10.833 -15.710 150 HB3 GLU 16 1HB GLU 16 -0.158 10.392 -14.868 151 HG2 GLU 16 2HG GLU 16 1.075 8.604 -13.700 152 HG3 GLU 16 1HG GLU 16 2.552 9.140 -14.503 153 H GLN 17 H GLN 17 0.462 6.545 -16.855 154 HA GLN 17 HA GLN 17 -1.670 5.984 -14.994 155 HB2 GLN 17 2HB GLN 17 -2.795 4.471 -16.646 156 HB3 GLN 17 1HB GLN 17 -2.868 6.165 -17.077 157 HG2 GLN 17 2HG GLN 17 -2.475 5.054 -19.098 158 HG3 GLN 17 1HG GLN 17 -0.903 5.686 -18.637 159 HE21 GLN 17 1HE2 GLN 17 0.203 4.192 -19.869 160 HE22 GLN 17 2HE2 GLN 17 0.301 2.524 -19.470 161 H THR 18 H THR 18 -1.463 4.130 -13.883 162 HA THR 18 HA THR 18 0.466 2.183 -14.685 163 HB THR 18 HB THR 18 0.374 3.620 -12.009 164 HG1 THR 18 1HG THR 18 1.736 4.049 -14.321 165 HG21 THR 18 3HG2 THR 18 0.968 1.283 -11.854 166 HG22 THR 18 1HG2 THR 18 2.364 2.305 -11.471 167 HG23 THR 18 2HG2 THR 18 2.247 1.514 -13.057 168 H VAL 19 H VAL 19 -0.167 0.134 -13.573 169 HA VAL 19 HA VAL 19 -2.929 0.346 -12.721 170 HB VAL 19 HB VAL 19 -3.121 -2.122 -13.134 171 HG11 VAL 19 1HG1 VAL 19 -3.917 -0.494 -14.742 172 HG12 VAL 19 2HG1 VAL 19 -3.245 -1.901 -15.562 173 HG13 VAL 19 3HG1 VAL 19 -2.313 -0.405 -15.471 174 HG21 VAL 19 3HG2 VAL 19 -1.431 -3.210 -14.541 175 HG22 VAL 19 1HG2 VAL 19 -0.734 -2.709 -13.000 176 HG23 VAL 19 2HG2 VAL 19 -0.422 -1.765 -14.459 177 H GLY 20 H GLY 20 -3.536 0.132 -10.786 178 HA2 GLY 20 2HA GLY 20 -1.993 -1.538 -8.921 179 HA3 GLY 20 1HA GLY 20 -2.756 -0.014 -8.445 180 H ASP 21 H ASP 21 -4.205 -1.918 -10.804 181 HA ASP 21 HA ASP 21 -6.715 -1.989 -9.437 182 HB2 ASP 21 2HB ASP 21 -5.890 -3.157 -12.085 183 HB3 ASP 21 1HB ASP 21 -7.533 -3.163 -11.464 184 H ALA 22 H ALA 22 -4.115 -3.962 -9.258 185 HA ALA 22 HA ALA 22 -5.086 -6.554 -9.181 186 HB1 ALA 22 1HB ALA 22 -3.256 -7.066 -7.642 187 HB2 ALA 22 2HB ALA 22 -3.059 -5.350 -7.297 188 HB3 ALA 22 3HB ALA 22 -2.701 -5.967 -8.909 189 H PHE 23 H PHE 23 -5.289 -4.060 -6.776 190 HA PHE 23 HA PHE 23 -6.478 -5.741 -4.840 191 HB2 PHE 23 2HB PHE 23 -6.065 -2.842 -5.130 192 HB3 PHE 23 1HB PHE 23 -7.036 -3.435 -3.760 193 HD1 PHE 23 2HD PHE 23 -3.700 -3.344 -5.320 194 HD2 PHE 23 1HD PHE 23 -5.967 -4.664 -1.964 195 HE1 PHE 23 2HE PHE 23 -1.620 -3.898 -4.132 196 HE2 PHE 23 1HE PHE 23 -3.897 -5.228 -0.783 197 HZ PHE 23 HZ PHE 23 -1.718 -4.843 -1.858 198 H ALA 24 H ALA 24 -7.752 -3.929 -7.502 199 HA ALA 24 HA ALA 24 -10.471 -3.977 -6.587 200 HB1 ALA 24 1HB ALA 24 -9.367 -3.641 -9.387 201 HB2 ALA 24 2HB ALA 24 -9.748 -2.331 -8.267 202 HB3 ALA 24 3HB ALA 24 -11.037 -3.350 -8.901 203 H ARG 25 H ARG 25 -8.308 -6.097 -8.197 204 HA ARG 25 HA ARG 25 -10.241 -7.924 -9.208 205 HB2 ARG 25 2HB ARG 25 -7.325 -8.404 -8.530 206 HB3 ARG 25 1HB ARG 25 -8.330 -9.418 -9.558 207 HG2 ARG 25 2HG ARG 25 -7.641 -6.548 -10.155 208 HG3 ARG 25 1HG ARG 25 -6.784 -7.941 -10.810 209 HD2 ARG 25 2HD ARG 25 -9.745 -7.652 -11.134 210 HD3 ARG 25 1HD ARG 25 -8.634 -6.844 -12.234 211 HE ARG 25 HE ARG 25 -7.680 -9.093 -12.605 212 HH11 ARG 25 1HH1 ARG 25 -11.073 -8.863 -11.572 213 HH12 ARG 25 2HH1 ARG 25 -11.590 -10.161 -12.533 214 HH21 ARG 25 1HH2 ARG 25 -8.407 -10.865 -13.946 215 HH22 ARG 25 2HH2 ARG 25 -10.049 -11.316 -13.957 216 H ILE 26 H ILE 26 -8.238 -7.766 -6.313 217 HA ILE 26 HA ILE 26 -9.330 -10.131 -5.167 218 HB ILE 26 HB ILE 26 -7.560 -7.965 -4.022 219 HG12 ILE 26 2HG1 ILE 26 -6.015 -9.916 -3.594 220 HG13 ILE 26 1HG1 ILE 26 -7.158 -10.937 -4.446 221 HG21 ILE 26 1HG2 ILE 26 -8.690 -10.232 -2.399 222 HG22 ILE 26 2HG2 ILE 26 -9.030 -8.517 -2.182 223 HG23 ILE 26 3HG2 ILE 26 -7.405 -9.139 -1.881 224 HD11 ILE 26 3HD1 ILE 26 -5.633 -8.615 -5.590 225 HD12 ILE 26 1HD1 ILE 26 -6.773 -9.625 -6.478 226 HD13 ILE 26 2HD1 ILE 26 -5.281 -10.325 -5.840 227 H PHE 27 H PHE 27 -9.982 -6.678 -4.506 228 HA PHE 27 HA PHE 27 -11.938 -7.321 -2.492 229 HB2 PHE 27 2HB PHE 27 -11.300 -4.712 -3.853 230 HB3 PHE 27 1HB PHE 27 -12.523 -4.887 -2.615 231 HD1 PHE 27 1HD PHE 27 -11.575 -6.066 -0.393 232 HD2 PHE 27 2HD PHE 27 -9.277 -3.913 -3.237 233 HE1 PHE 27 1HE PHE 27 -9.900 -5.574 1.330 234 HE2 PHE 27 2HE PHE 27 -7.596 -3.426 -1.527 235 HZ PHE 27 HZ PHE 27 -7.895 -4.246 0.754 236 H GLY 28 H GLY 28 -12.041 -6.922 -5.911 237 HA2 GLY 28 2HA GLY 28 -13.849 -7.229 -7.319 238 HA3 GLY 28 1HA GLY 28 -14.913 -7.274 -5.911 239 H GLY 29 H GLY 29 -14.990 -5.185 -4.687 240 HA2 GLY 29 2HA GLY 29 -14.460 -2.746 -6.105 241 HA3 GLY 29 1HA GLY 29 -16.161 -3.174 -6.125 242 H SER 30 H SER 30 -14.202 -3.997 -3.309 243 HA SER 30 HA SER 30 -15.838 -2.576 -1.545 244 HB2 SER 30 2HB SER 30 -12.960 -3.424 -1.097 245 HB3 SER 30 1HB SER 30 -14.164 -3.094 0.144 246 HG SER 30 HG SER 30 -14.448 -5.141 0.013 247 H ILE 31 H ILE 31 -12.713 -1.779 -3.020 248 HA ILE 31 HA ILE 31 -13.273 1.026 -2.626 249 HB ILE 31 HB ILE 31 -10.873 1.480 -2.095 250 HG12 ILE 31 2HG1 ILE 31 -10.665 -1.492 -1.525 251 HG13 ILE 31 1HG1 ILE 31 -9.958 -0.684 -2.915 252 HG21 ILE 31 1HG2 ILE 31 -12.465 1.579 -0.296 253 HG22 ILE 31 2HG2 ILE 31 -10.941 0.918 0.298 254 HG23 ILE 31 3HG2 ILE 31 -12.305 -0.155 -0.015 255 HD11 ILE 31 3HD1 ILE 31 -8.522 0.615 -1.431 256 HD12 ILE 31 1HD1 ILE 31 -8.303 -1.117 -1.181 257 HD13 ILE 31 2HD1 ILE 31 -9.250 -0.170 -0.032 258 H VAL 32 H VAL 32 -12.249 2.279 -4.228 259 HA VAL 32 HA VAL 32 -11.419 0.708 -6.509 260 HB VAL 32 HB VAL 32 -13.231 2.175 -7.074 261 HG11 VAL 32 1HG1 VAL 32 -13.125 4.626 -6.777 262 HG12 VAL 32 2HG1 VAL 32 -11.652 4.396 -5.827 263 HG13 VAL 32 3HG1 VAL 32 -13.178 3.715 -5.268 264 HG21 VAL 32 3HG2 VAL 32 -10.669 3.418 -8.089 265 HG22 VAL 32 1HG2 VAL 32 -12.266 3.646 -8.803 266 HG23 VAL 32 2HG2 VAL 32 -11.522 2.050 -8.805 267 HA PRO 33 HA PRO 33 -7.254 1.313 -5.055 268 HB2 PRO 33 2HB PRO 33 -6.777 0.565 -7.901 269 HB3 PRO 33 1HB PRO 33 -6.001 -0.037 -6.434 270 HG2 PRO 33 2HG PRO 33 -7.842 -1.496 -7.613 271 HG3 PRO 33 1HG PRO 33 -7.824 -1.351 -5.848 272 HD2 PRO 33 2HD PRO 33 -9.648 -0.060 -7.827 273 HD3 PRO 33 1HD PRO 33 -9.982 -0.669 -6.191 274 H GLN 34 H GLN 34 -7.990 2.454 -8.343 275 HA GLN 34 HA GLN 34 -5.782 4.169 -8.328 276 HB2 GLN 34 2HB GLN 34 -8.099 4.081 -10.219 277 HB3 GLN 34 1HB GLN 34 -6.752 5.199 -10.391 278 HG2 GLN 34 2HG GLN 34 -5.215 3.251 -10.418 279 HG3 GLN 34 1HG GLN 34 -6.624 2.196 -10.440 280 HE21 GLN 34 1HE2 GLN 34 -4.515 2.535 -12.384 281 HE22 GLN 34 2HE2 GLN 34 -5.288 2.991 -13.861 282 H GLU 35 H GLU 35 -8.975 4.798 -7.133 283 HA GLU 35 HA GLU 35 -8.391 7.620 -7.130 284 HB2 GLU 35 2HB GLU 35 -10.701 6.132 -5.865 285 HB3 GLU 35 1HB GLU 35 -10.483 7.870 -5.742 286 HG2 GLU 35 2HG GLU 35 -10.541 8.018 -8.213 287 HG3 GLU 35 1HG GLU 35 -10.903 6.294 -8.270 288 H VAL 36 H VAL 36 -8.029 4.944 -5.021 289 HA VAL 36 HA VAL 36 -7.292 6.453 -2.718 290 HB VAL 36 HB VAL 36 -6.391 3.648 -3.507 291 HG11 VAL 36 1HG1 VAL 36 -6.453 4.984 -0.795 292 HG12 VAL 36 2HG1 VAL 36 -5.011 4.620 -1.741 293 HG13 VAL 36 3HG1 VAL 36 -6.001 3.308 -1.105 294 HG21 VAL 36 3HG2 VAL 36 -8.211 2.829 -2.066 295 HG22 VAL 36 1HG2 VAL 36 -8.823 3.767 -3.429 296 HG23 VAL 36 2HG2 VAL 36 -8.753 4.488 -1.822 297 H GLU 37 H GLU 37 -5.586 4.956 -5.431 298 HA GLU 37 HA GLU 37 -2.980 5.763 -4.951 299 HB2 GLU 37 2HB GLU 37 -4.438 5.590 -7.588 300 HB3 GLU 37 1HB GLU 37 -2.714 5.833 -7.437 301 HG2 GLU 37 2HG GLU 37 -2.513 3.651 -6.346 302 HG3 GLU 37 1HG GLU 37 -4.250 3.402 -6.547 303 H ALA 38 H ALA 38 -5.551 7.468 -6.699 304 HA ALA 38 HA ALA 38 -4.277 9.760 -7.474 305 HB1 ALA 38 1HB ALA 38 -6.604 9.203 -8.056 306 HB2 ALA 38 2HB ALA 38 -6.443 10.865 -7.484 307 HB3 ALA 38 3HB ALA 38 -7.098 9.622 -6.417 308 H LEU 39 H LEU 39 -5.955 9.338 -4.364 309 HA LEU 39 HA LEU 39 -5.112 11.859 -3.411 310 HB2 LEU 39 2HB LEU 39 -6.330 9.484 -2.061 311 HB3 LEU 39 1HB LEU 39 -5.650 10.767 -1.090 312 HG LEU 39 HG LEU 39 -8.043 11.038 -1.269 313 HD11 LEU 39 1HD1 LEU 39 -6.597 13.144 -2.858 314 HD12 LEU 39 2HD1 LEU 39 -6.719 13.043 -1.106 315 HD13 LEU 39 3HD1 LEU 39 -8.166 13.327 -2.073 316 HD21 LEU 39 3HD2 LEU 39 -8.443 9.909 -3.402 317 HD22 LEU 39 1HD2 LEU 39 -7.641 11.225 -4.256 318 HD23 LEU 39 2HD2 LEU 39 -9.154 11.526 -3.403 319 H LEU 40 H LEU 40 -3.730 8.635 -2.997 320 HA LEU 40 HA LEU 40 -1.804 9.510 -1.116 321 HB2 LEU 40 2HB LEU 40 -1.745 7.078 -2.876 322 HB3 LEU 40 1HB LEU 40 -0.644 7.383 -1.551 323 HG LEU 40 HG LEU 40 -3.612 6.895 -1.350 324 HD11 LEU 40 1HD1 LEU 40 -2.255 4.943 -1.807 325 HD12 LEU 40 2HD1 LEU 40 -2.957 4.883 -0.187 326 HD13 LEU 40 3HD1 LEU 40 -1.252 5.293 -0.400 327 HD21 LEU 40 3HD2 LEU 40 -2.927 8.538 0.322 328 HD22 LEU 40 1HD2 LEU 40 -1.607 7.482 0.826 329 HD23 LEU 40 2HD2 LEU 40 -3.280 6.985 1.077 330 H ARG 41 H ARG 41 -1.645 9.195 -4.622 331 HA ARG 41 HA ARG 41 1.144 9.799 -4.741 332 HB2 ARG 41 2HB ARG 41 0.851 9.920 -7.162 333 HB3 ARG 41 1HB ARG 41 -0.054 8.554 -6.542 334 HG2 ARG 41 2HG ARG 41 -2.056 10.241 -6.552 335 HG3 ARG 41 1HG ARG 41 -1.018 11.117 -7.688 336 HD2 ARG 41 2HD ARG 41 -1.914 8.260 -7.981 337 HD3 ARG 41 1HD ARG 41 -2.619 9.633 -8.819 338 HE ARG 41 HE ARG 41 -0.202 9.911 -9.612 339 HH11 ARG 41 1HH1 ARG 41 -1.961 6.829 -9.208 340 HH12 ARG 41 2HH1 ARG 41 -1.113 6.021 -10.420 341 HH21 ARG 41 1HH2 ARG 41 0.856 8.825 -11.378 342 HH22 ARG 41 2HH2 ARG 41 0.546 7.170 -11.709 343 H ARG 42 H ARG 42 -1.755 11.660 -4.599 344 HA ARG 42 HA ARG 42 -0.604 14.165 -5.297 345 HB2 ARG 42 2HB ARG 42 -3.033 13.719 -5.388 346 HB3 ARG 42 1HB ARG 42 -3.050 13.496 -3.649 347 HG2 ARG 42 2HG ARG 42 -2.430 15.845 -3.349 348 HG3 ARG 42 1HG ARG 42 -2.425 16.058 -5.101 349 HD2 ARG 42 2HD ARG 42 -4.755 15.460 -5.223 350 HD3 ARG 42 1HD ARG 42 -4.806 15.148 -3.492 351 HE ARG 42 HE ARG 42 -3.992 17.722 -3.685 352 HH11 ARG 42 1HH1 ARG 42 -6.767 15.919 -4.962 353 HH12 ARG 42 2HH1 ARG 42 -7.846 17.223 -4.944 354 HH21 ARG 42 1HH2 ARG 42 -5.497 19.568 -3.643 355 HH22 ARG 42 2HH2 ARG 42 -7.100 19.367 -4.203 356 H GLU 43 H GLU 43 -1.289 12.431 -2.269 357 HA GLU 43 HA GLU 43 -0.304 14.392 -0.511 358 HB2 GLU 43 2HB GLU 43 -0.764 11.442 -0.261 359 HB3 GLU 43 1HB GLU 43 -0.036 12.363 1.046 360 HG2 GLU 43 2HG GLU 43 -2.713 12.958 -0.185 361 HG3 GLU 43 1HG GLU 43 -2.466 12.040 1.301 362 H ALA 44 H ALA 44 1.209 11.641 -2.069 363 HA ALA 44 HA ALA 44 3.669 11.740 -0.806 364 HB1 ALA 44 1HB ALA 44 2.948 9.886 -2.215 365 HB2 ALA 44 2HB ALA 44 4.523 10.501 -2.728 366 HB3 ALA 44 3HB ALA 44 3.066 10.924 -3.635 367 H ALA 45 H ALA 45 2.548 13.443 -3.711 368 HA ALA 45 HA ALA 45 5.079 14.747 -4.103 369 HB1 ALA 45 1HB ALA 45 3.976 15.982 -5.851 370 HB2 ALA 45 2HB ALA 45 2.406 15.382 -5.309 371 HB3 ALA 45 3HB ALA 45 3.597 14.261 -5.985 372 H ASP 46 H ASP 46 2.239 15.379 -2.335 373 HA ASP 46 HA ASP 46 2.599 18.200 -2.043 374 HB2 ASP 46 2HB ASP 46 0.381 17.260 -1.820 375 HB3 ASP 46 1HB ASP 46 0.920 16.207 -0.522 376 H GLY 47 H GLY 47 3.379 15.343 -0.172 377 HA2 GLY 47 2HA GLY 47 4.594 16.973 1.916 378 HA3 GLY 47 1HA GLY 47 4.316 15.237 1.967 379 H ILE 48 H ILE 48 5.886 17.059 -0.596 380 HA ILE 48 HA ILE 48 8.207 15.398 -0.459 381 HB ILE 48 HB ILE 48 7.332 17.675 -2.219 382 HG12 ILE 48 2HG1 ILE 48 6.372 15.490 -2.632 383 HG13 ILE 48 1HG1 ILE 48 7.369 16.014 -3.987 384 HG21 ILE 48 1HG2 ILE 48 9.322 17.412 -3.597 385 HG22 ILE 48 2HG2 ILE 48 10.011 16.353 -2.362 386 HG23 ILE 48 3HG2 ILE 48 9.685 18.050 -1.987 387 HD11 ILE 48 3HD1 ILE 48 9.176 14.537 -3.144 388 HD12 ILE 48 1HD1 ILE 48 7.703 13.665 -3.566 389 HD13 ILE 48 2HD1 ILE 48 8.081 13.968 -1.879 390 H GLN 49 H GLN 49 10.188 15.862 0.241 391 HA GLN 49 HA GLN 49 10.688 18.455 1.512 392 HB2 GLN 49 2HB GLN 49 11.404 15.684 2.365 393 HB3 GLN 49 1HB GLN 49 12.495 16.998 2.790 394 HG2 GLN 49 2HG GLN 49 11.124 16.496 4.631 395 HG3 GLN 49 1HG GLN 49 10.569 18.031 3.962 396 HE21 GLN 49 1HE2 GLN 49 9.786 14.902 2.540 397 HE22 GLN 49 2HE2 GLN 49 8.114 14.987 2.891 398 H SER 50 H SER 50 12.649 19.328 1.146 399 HA SER 50 HA SER 50 13.865 18.566 -1.347 400 HB2 SER 50 2HB SER 50 14.627 20.809 0.535 401 HB3 SER 50 1HB SER 50 14.954 20.709 -1.199 402 HG SER 50 HG SER 50 12.529 21.205 0.140 403 H LEU 51 H LEU 51 15.095 16.868 -1.203 404 HA LEU 51 HA LEU 51 17.245 16.759 0.788 405 HB2 LEU 51 2HB LEU 51 15.287 14.983 0.773 406 HB3 LEU 51 1HB LEU 51 16.131 14.334 -0.618 407 HG LEU 51 HG LEU 51 18.166 14.047 0.842 408 HD11 LEU 51 1HD1 LEU 51 17.630 15.706 2.545 409 HD12 LEU 51 2HD1 LEU 51 17.872 14.104 3.246 410 HD13 LEU 51 3HD1 LEU 51 16.240 14.730 3.037 411 HD21 LEU 51 3HD2 LEU 51 16.639 12.188 0.377 412 HD22 LEU 51 1HD2 LEU 51 15.680 12.658 1.777 413 HD23 LEU 51 2HD2 LEU 51 17.334 12.085 1.994 414 H GLN 52 H GLN 52 18.752 14.748 -0.578 415 HA GLN 52 HA GLN 52 20.286 15.982 -2.433 416 HB2 GLN 52 2HB GLN 52 19.434 13.073 -2.532 417 HB3 GLN 52 1HB GLN 52 20.746 13.728 -3.478 418 HG2 GLN 52 2HG GLN 52 21.761 12.628 -1.671 419 HG3 GLN 52 1HG GLN 52 21.849 14.345 -1.297 420 HE21 GLN 52 1HE2 GLN 52 20.392 11.288 -0.443 421 HE22 GLN 52 2HE2 GLN 52 19.775 11.793 1.082 422 H GLY 53 H GLY 53 20.101 16.669 -4.449 423 HA2 GLY 53 2HA GLY 53 17.570 17.256 -5.491 424 HA3 GLY 53 1HA GLY 53 19.093 17.529 -6.307 425 H ASN 54 H ASN 54 19.608 14.566 -6.113 426 HA ASN 54 HA ASN 54 18.480 14.008 -8.602 427 HB2 ASN 54 2HB ASN 54 20.019 12.182 -6.755 428 HB3 ASN 54 1HB ASN 54 19.454 11.676 -8.342 429 HD21 ASN 54 1HD2 ASN 54 22.173 11.811 -7.461 430 HD22 ASN 54 2HD2 ASN 54 22.980 12.951 -8.465 431 H ARG 55 H ARG 55 17.355 13.475 -5.390 432 HA ARG 55 HA ARG 55 14.896 12.569 -6.330 433 HB2 ARG 55 2HB ARG 55 14.799 10.363 -5.169 434 HB3 ARG 55 1HB ARG 55 15.895 10.407 -6.535 435 HG2 ARG 55 2HG ARG 55 17.744 10.728 -4.945 436 HG3 ARG 55 1HG ARG 55 16.582 10.471 -3.634 437 HD2 ARG 55 2HD ARG 55 17.281 8.520 -5.830 438 HD3 ARG 55 1HD ARG 55 17.714 8.361 -4.127 439 HE ARG 55 HE ARG 55 14.909 8.575 -4.474 440 HH11 ARG 55 1HH1 ARG 55 17.567 6.199 -4.740 441 HH12 ARG 55 2HH1 ARG 55 16.540 4.864 -4.563 442 HH21 ARG 55 1HH2 ARG 55 13.519 6.696 -4.260 443 HH22 ARG 55 2HH2 ARG 55 14.230 5.140 -4.346 444 H LEU 56 H LEU 56 13.315 13.037 -5.000 445 HA LEU 56 HA LEU 56 13.998 14.732 -2.657 446 HB2 LEU 56 2HB LEU 56 11.422 14.413 -4.189 447 HB3 LEU 56 1HB LEU 56 11.782 15.606 -2.957 448 HG LEU 56 HG LEU 56 13.178 15.437 -5.631 449 HD11 LEU 56 1HD1 LEU 56 11.073 17.366 -4.680 450 HD12 LEU 56 2HD1 LEU 56 10.841 16.092 -5.878 451 HD13 LEU 56 3HD1 LEU 56 11.933 17.436 -6.216 452 HD21 LEU 56 3HD2 LEU 56 14.598 16.407 -3.904 453 HD22 LEU 56 1HD2 LEU 56 13.304 17.515 -3.442 454 HD23 LEU 56 2HD2 LEU 56 14.058 17.654 -5.027 455 H LEU 57 H LEU 57 12.844 14.643 -0.722 456 HA LEU 57 HA LEU 57 12.452 11.888 0.063 457 HB2 LEU 57 2HB LEU 57 13.937 13.496 1.251 458 HB3 LEU 57 1HB LEU 57 12.569 14.455 1.682 459 HG LEU 57 HG LEU 57 13.400 13.186 3.571 460 HD11 LEU 57 1HD1 LEU 57 10.753 12.083 2.709 461 HD12 LEU 57 2HD1 LEU 57 11.043 13.568 3.623 462 HD13 LEU 57 3HD1 LEU 57 11.426 12.005 4.340 463 HD21 LEU 57 3HD2 LEU 57 13.190 10.674 3.547 464 HD22 LEU 57 1HD2 LEU 57 14.490 11.372 2.575 465 HD23 LEU 57 2HD2 LEU 57 13.028 10.828 1.789 466 H ALA 58 H ALA 58 10.500 11.062 0.117 467 HA ALA 58 HA ALA 58 8.120 12.784 0.122 468 HB1 ALA 58 1HB ALA 58 8.425 11.474 -1.918 469 HB2 ALA 58 2HB ALA 58 7.030 10.871 -1.025 470 HB3 ALA 58 3HB ALA 58 8.559 9.993 -0.970 471 HA PRO 59 HA PRO 59 6.517 10.939 3.943 472 HB2 PRO 59 2HB PRO 59 4.138 10.047 2.403 473 HB3 PRO 59 1HB PRO 59 4.221 11.025 3.873 474 HG2 PRO 59 2HG PRO 59 3.643 12.180 1.576 475 HG3 PRO 59 1HG PRO 59 4.767 12.960 2.704 476 HD2 PRO 59 2HD PRO 59 5.373 11.400 0.221 477 HD3 PRO 59 1HD PRO 59 6.083 12.927 0.793 478 H ASN 60 H ASN 60 5.945 9.006 4.975 479 HA ASN 60 HA ASN 60 6.527 6.592 3.427 480 HB2 ASN 60 2HB ASN 60 7.848 5.716 5.311 481 HB3 ASN 60 1HB ASN 60 8.556 7.176 4.636 482 HD21 ASN 60 1HD2 ASN 60 9.162 6.178 7.162 483 HD22 ASN 60 2HD2 ASN 60 8.642 7.309 8.352 484 H GLU 61 H GLU 61 4.816 8.060 6.111 485 HA GLU 61 HA GLU 61 3.327 5.563 6.336 486 HB2 GLU 61 2HB GLU 61 4.356 6.343 8.468 487 HB3 GLU 61 1HB GLU 61 3.420 7.829 8.348 488 HG2 GLU 61 2HG GLU 61 1.348 6.536 8.421 489 HG3 GLU 61 1HG GLU 61 2.280 5.052 8.556 490 H TYR 62 H TYR 62 1.609 5.585 5.210 491 HA TYR 62 HA TYR 62 0.200 8.116 4.770 492 HB2 TYR 62 2HB TYR 62 0.185 5.560 3.172 493 HB3 TYR 62 1HB TYR 62 -0.833 6.950 2.812 494 HD1 TYR 62 2HD TYR 62 2.726 5.879 3.077 495 HD2 TYR 62 1HD TYR 62 -0.010 8.713 1.468 496 HE1 TYR 62 2HE TYR 62 4.530 6.844 1.734 497 HE2 TYR 62 1HE TYR 62 1.790 9.686 0.112 498 HH TYR 62 HH TYR 62 4.907 8.185 -0.152 499 H ILE 63 H ILE 63 -1.593 8.356 5.797 500 HA ILE 63 HA ILE 63 -2.763 6.018 7.114 501 HB ILE 63 HB ILE 63 -3.226 8.950 7.736 502 HG12 ILE 63 2HG1 ILE 63 -1.456 6.959 9.178 503 HG13 ILE 63 1HG1 ILE 63 -0.864 8.231 8.115 504 HG21 ILE 63 1HG2 ILE 63 -4.169 8.081 9.843 505 HG22 ILE 63 2HG2 ILE 63 -3.902 6.430 9.276 506 HG23 ILE 63 3HG2 ILE 63 -5.054 7.471 8.444 507 HD11 ILE 63 3HD1 ILE 63 -2.376 8.623 10.685 508 HD12 ILE 63 1HD1 ILE 63 -1.775 9.909 9.638 509 HD13 ILE 63 2HD1 ILE 63 -0.641 8.830 10.453 510 H ILE 64 H ILE 64 -4.443 5.177 6.078 511 HA ILE 64 HA ILE 64 -6.300 6.992 4.765 512 HB ILE 64 HB ILE 64 -5.953 4.001 4.248 513 HG12 ILE 64 2HG1 ILE 64 -5.274 4.808 1.884 514 HG13 ILE 64 1HG1 ILE 64 -4.985 6.373 2.632 515 HG21 ILE 64 1HG2 ILE 64 -8.214 4.765 3.930 516 HG22 ILE 64 2HG2 ILE 64 -7.487 4.347 2.378 517 HG23 ILE 64 3HG2 ILE 64 -7.663 6.041 2.846 518 HD11 ILE 64 3HD1 ILE 64 -2.925 5.106 2.366 519 HD12 ILE 64 1HD1 ILE 64 -3.598 3.790 3.325 520 HD13 ILE 64 2HD1 ILE 64 -3.291 5.357 4.071 521 H THR 65 H THR 65 -7.916 7.343 6.042 522 HA THR 65 HA THR 65 -8.713 5.280 7.968 523 HB THR 65 HB THR 65 -9.443 8.214 8.025 524 HG1 THR 65 1HG THR 65 -7.096 6.971 8.434 525 HG21 THR 65 3HG2 THR 65 -10.805 6.687 9.426 526 HG22 THR 65 1HG2 THR 65 -9.811 7.750 10.418 527 HG23 THR 65 2HG2 THR 65 -9.336 6.072 10.172 528 H LEU 66 H LEU 66 -10.502 4.251 7.521 529 HA LEU 66 HA LEU 66 -12.538 5.441 5.746 530 HB2 LEU 66 2HB LEU 66 -11.601 2.638 6.176 531 HB3 LEU 66 1HB LEU 66 -13.293 2.876 5.832 532 HG LEU 66 HG LEU 66 -12.032 2.269 3.826 533 HD11 LEU 66 1HD1 LEU 66 -12.775 4.058 2.360 534 HD12 LEU 66 2HD1 LEU 66 -13.144 5.038 3.792 535 HD13 LEU 66 3HD1 LEU 66 -13.992 3.527 3.515 536 HD21 LEU 66 3HD2 LEU 66 -10.431 3.826 2.840 537 HD22 LEU 66 1HD2 LEU 66 -9.873 3.205 4.394 538 HD23 LEU 66 2HD2 LEU 66 -10.538 4.836 4.283 539 H GLY 67 H GLY 67 -14.765 4.890 6.281 540 HA2 GLY 67 2HA GLY 67 -15.385 5.157 9.042 541 HA3 GLY 67 1HA GLY 67 -16.531 4.766 7.756 542 H VAL 68 H VAL 68 -16.497 3.524 10.339 543 HA VAL 68 HA VAL 68 -15.096 1.087 10.292 544 HB VAL 68 HB VAL 68 -15.892 1.880 12.399 545 HG11 VAL 68 1HG1 VAL 68 -18.689 1.494 11.370 546 HG12 VAL 68 2HG1 VAL 68 -17.911 3.030 11.773 547 HG13 VAL 68 3HG1 VAL 68 -18.273 1.863 13.042 548 HG21 VAL 68 3HG2 VAL 68 -15.632 -0.512 12.286 549 HG22 VAL 68 1HG2 VAL 68 -17.282 -0.694 11.685 550 HG23 VAL 68 2HG2 VAL 68 -16.999 -0.119 13.329 551 H HIS 69 H HIS 69 -18.236 1.900 9.091 552 HA HIS 69 HA HIS 69 -19.234 -0.641 8.417 553 HB2 HIS 69 2HB HIS 69 -20.562 1.448 8.286 554 HB3 HIS 69 1HB HIS 69 -19.573 1.969 6.931 555 HD1 HIS 69 1HD HIS 69 -20.323 1.172 4.593 556 HD2 HIS 69 2HD HIS 69 -22.294 -0.724 7.727 557 HE1 HIS 69 1HE HIS 69 -22.165 -0.161 3.543 558 H ASP 70 H ASP 70 -17.102 1.549 6.712 559 HA ASP 70 HA ASP 70 -16.996 -0.085 4.390 560 HB2 ASP 70 2HB ASP 70 -15.476 2.371 5.209 561 HB3 ASP 70 1HB ASP 70 -15.140 1.506 3.711 562 H PHE 71 H PHE 71 -14.877 0.455 7.153 563 HA PHE 71 HA PHE 71 -12.701 -1.020 6.311 564 HB2 PHE 71 2HB PHE 71 -12.773 0.440 8.280 565 HB3 PHE 71 1HB PHE 71 -13.792 -0.727 9.121 566 HD1 PHE 71 1HD PHE 71 -10.508 -0.254 7.556 567 HD2 PHE 71 2HD PHE 71 -12.814 -2.451 10.337 568 HE1 PHE 71 1HE PHE 71 -8.443 -1.343 8.385 569 HE2 PHE 71 2HE PHE 71 -10.772 -3.561 11.182 570 HZ PHE 71 HZ PHE 71 -8.585 -2.999 10.201 571 H GLU 72 H GLU 72 -15.804 -2.112 7.528 572 HA GLU 72 HA GLU 72 -15.245 -4.809 8.059 573 HB2 GLU 72 2HB GLU 72 -17.709 -3.626 6.809 574 HB3 GLU 72 1HB GLU 72 -17.583 -5.205 7.550 575 HG2 GLU 72 2HG GLU 72 -17.267 -4.181 9.717 576 HG3 GLU 72 1HG GLU 72 -17.296 -2.575 8.978 577 H LYS 73 H LYS 73 -15.747 -3.030 5.051 578 HA LYS 73 HA LYS 73 -16.208 -5.437 3.513 579 HB2 LYS 73 2HB LYS 73 -15.874 -2.697 2.317 580 HB3 LYS 73 1HB LYS 73 -16.839 -4.039 1.737 581 HG2 LYS 73 2HG LYS 73 -17.471 -2.153 4.007 582 HG3 LYS 73 1HG LYS 73 -18.333 -2.332 2.487 583 HD2 LYS 73 2HD LYS 73 -19.083 -4.571 3.196 584 HD3 LYS 73 1HD LYS 73 -18.195 -4.384 4.712 585 HE2 LYS 73 2HE LYS 73 -19.572 -2.286 5.107 586 HE3 LYS 73 1HE LYS 73 -20.573 -2.789 3.753 587 HZ1 LYS 73 3HZ LYS 73 -20.204 -4.184 6.353 588 HZ2 LYS 73 1HZ LYS 73 -21.000 -4.894 5.032 589 HZ3 LYS 73 2HZ LYS 73 -21.598 -3.505 5.753 590 H LEU 74 H LEU 74 -13.707 -3.356 4.437 591 HA LEU 74 HA LEU 74 -11.784 -4.004 2.453 592 HB2 LEU 74 2HB LEU 74 -11.669 -2.864 5.222 593 HB3 LEU 74 1HB LEU 74 -10.192 -3.447 4.500 594 HG LEU 74 HG LEU 74 -10.479 -1.005 4.330 595 HD11 LEU 74 1HD1 LEU 74 -9.114 -2.204 2.682 596 HD12 LEU 74 2HD1 LEU 74 -9.933 -0.824 1.942 597 HD13 LEU 74 3HD1 LEU 74 -10.552 -2.456 1.690 598 HD21 LEU 74 3HD2 LEU 74 -12.770 -1.656 2.485 599 HD22 LEU 74 1HD2 LEU 74 -12.068 -0.057 2.730 600 HD23 LEU 74 2HD2 LEU 74 -12.895 -0.870 4.059 601 H GLY 75 H GLY 75 -12.627 -5.360 5.598 602 HA2 GLY 75 2HA GLY 75 -12.663 -7.866 5.510 603 HA3 GLY 75 1HA GLY 75 -11.041 -7.719 4.844 604 H ALA 76 H ALA 76 -11.381 -9.260 7.034 605 HA ALA 76 HA ALA 76 -10.878 -7.692 9.410 606 HB1 ALA 76 1HB ALA 76 -10.883 -9.793 10.603 607 HB2 ALA 76 2HB ALA 76 -10.887 -10.682 9.080 608 HB3 ALA 76 3HB ALA 76 -12.277 -9.689 9.529 609 H ASP 77 H ASP 77 -9.001 -9.008 6.946 610 HA ASP 77 HA ASP 77 -6.637 -8.773 8.680 611 HB2 ASP 77 2HB ASP 77 -6.716 -10.987 7.630 612 HB3 ASP 77 1HB ASP 77 -6.868 -10.239 6.041 613 HA PRO 78 HA PRO 78 -6.273 -5.129 6.049 614 HB2 PRO 78 2HB PRO 78 -4.783 -4.013 8.297 615 HB3 PRO 78 1HB PRO 78 -6.283 -3.432 7.572 616 HG2 PRO 78 2HG PRO 78 -6.185 -4.517 10.054 617 HG3 PRO 78 1HG PRO 78 -7.605 -4.655 9.001 618 HD2 PRO 78 2HD PRO 78 -5.441 -6.658 9.534 619 HD3 PRO 78 1HD PRO 78 -7.201 -6.896 9.409 620 H GLU 79 H GLU 79 -4.002 -6.884 8.005 621 HA GLU 79 HA GLU 79 -1.625 -5.689 7.386 622 HB2 GLU 79 2HB GLU 79 -2.243 -8.489 8.189 623 HB3 GLU 79 1HB GLU 79 -0.588 -7.974 7.891 624 HG2 GLU 79 2HG GLU 79 -1.120 -7.921 10.257 625 HG3 GLU 79 1HG GLU 79 -0.790 -6.301 9.660 626 H LEU 80 H LEU 80 -2.914 -8.553 5.550 627 HA LEU 80 HA LEU 80 -0.604 -8.499 3.861 628 HB2 LEU 80 2HB LEU 80 -3.253 -9.878 3.541 629 HB3 LEU 80 1HB LEU 80 -1.886 -10.123 2.482 630 HG LEU 80 HG LEU 80 -1.977 -10.824 5.422 631 HD11 LEU 80 1HD1 LEU 80 -3.371 -12.298 4.084 632 HD12 LEU 80 2HD1 LEU 80 -1.922 -13.139 4.631 633 HD13 LEU 80 3HD1 LEU 80 -2.032 -12.573 2.967 634 HD21 LEU 80 3HD2 LEU 80 0.276 -10.218 4.756 635 HD22 LEU 80 1HD2 LEU 80 0.161 -11.269 3.340 636 HD23 LEU 80 2HD2 LEU 80 0.155 -11.966 4.955 637 H LYS 81 H LYS 81 -3.405 -6.719 3.960 638 HA LYS 81 HA LYS 81 -3.436 -6.112 1.118 639 HB2 LYS 81 2HB LYS 81 -5.157 -5.079 3.382 640 HB3 LYS 81 1HB LYS 81 -5.420 -4.759 1.673 641 HG2 LYS 81 2HG LYS 81 -5.868 -7.091 1.249 642 HG3 LYS 81 1HG LYS 81 -5.454 -7.507 2.913 643 HD2 LYS 81 2HD LYS 81 -7.333 -6.189 3.722 644 HD3 LYS 81 1HD LYS 81 -7.738 -5.723 2.071 645 HE2 LYS 81 2HE LYS 81 -9.194 -7.520 2.845 646 HE3 LYS 81 1HE LYS 81 -8.176 -8.065 1.517 647 HZ1 LYS 81 3HZ LYS 81 -7.498 -8.526 4.353 648 HZ2 LYS 81 1HZ LYS 81 -6.812 -9.255 3.011 649 HZ3 LYS 81 2HZ LYS 81 -8.396 -9.635 3.466 650 H SER 82 H SER 82 -2.838 -4.513 4.248 651 HA SER 82 HA SER 82 -2.252 -1.985 3.206 652 HB2 SER 82 2HB SER 82 -1.311 -1.572 5.485 653 HB3 SER 82 1HB SER 82 -2.937 -2.250 5.519 654 HG SER 82 HG SER 82 -1.888 -3.479 6.929 655 H THR 83 H THR 83 -0.177 -4.629 4.367 656 HA THR 83 HA THR 83 2.281 -3.427 3.833 657 HB THR 83 HB THR 83 1.696 -6.394 3.615 658 HG1 THR 83 1HG THR 83 0.862 -5.912 5.525 659 HG21 THR 83 3HG2 THR 83 4.131 -4.864 4.556 660 HG22 THR 83 1HG2 THR 83 3.979 -5.686 3.003 661 HG23 THR 83 2HG2 THR 83 3.982 -6.623 4.501 662 H GLY 84 H GLY 84 0.151 -5.391 1.816 663 HA2 GLY 84 2HA GLY 84 1.840 -5.653 -0.396 664 HA3 GLY 84 1HA GLY 84 0.087 -5.799 -0.406 665 H PHE 85 H PHE 85 -0.800 -3.335 0.204 666 HA PHE 85 HA PHE 85 -0.367 -1.991 -2.259 667 HB2 PHE 85 2HB PHE 85 -2.527 -2.064 -0.904 668 HB3 PHE 85 1HB PHE 85 -1.804 -0.863 0.155 669 HD1 PHE 85 1HD PHE 85 -2.525 -1.461 -3.449 670 HD2 PHE 85 2HD PHE 85 -2.230 1.389 -0.304 671 HE1 PHE 85 1HE PHE 85 -3.378 0.287 -4.958 672 HE2 PHE 85 2HE PHE 85 -3.081 3.131 -1.808 673 HZ PHE 85 HZ PHE 85 -3.653 2.588 -4.134 674 H ALA 86 H ALA 86 0.909 -1.649 0.953 675 HA ALA 86 HA ALA 86 2.078 0.899 0.750 676 HB1 ALA 86 1HB ALA 86 3.063 -1.492 2.299 677 HB2 ALA 86 2HB ALA 86 1.886 -0.321 2.887 678 HB3 ALA 86 3HB ALA 86 3.547 0.178 2.562 679 H ARG 87 H ARG 87 3.286 -2.333 -0.078 680 HA ARG 87 HA ARG 87 5.852 -1.526 -0.823 681 HB2 ARG 87 2HB ARG 87 4.190 -3.906 -1.614 682 HB3 ARG 87 1HB ARG 87 5.887 -3.704 -2.019 683 HG2 ARG 87 2HG ARG 87 4.768 -3.810 0.777 684 HG3 ARG 87 1HG ARG 87 5.566 -5.146 -0.057 685 HD2 ARG 87 2HD ARG 87 7.587 -3.837 -0.241 686 HD3 ARG 87 1HD ARG 87 6.818 -2.472 0.529 687 HE ARG 87 HE ARG 87 6.740 -3.571 2.567 688 HH11 ARG 87 1HH1 ARG 87 8.572 -5.484 0.169 689 HH12 ARG 87 2HH1 ARG 87 9.450 -6.331 1.361 690 HH21 ARG 87 1HH2 ARG 87 7.974 -4.776 4.162 691 HH22 ARG 87 2HH2 ARG 87 9.111 -5.940 3.634 692 H ASP 88 H ASP 88 2.925 -1.866 -2.633 693 HA ASP 88 HA ASP 88 4.057 -1.141 -5.139 694 HB2 ASP 88 2HB ASP 88 1.280 -1.374 -4.156 695 HB3 ASP 88 1HB ASP 88 1.510 -0.255 -5.494 696 H LEU 89 H LEU 89 2.513 0.828 -2.652 697 HA LEU 89 HA LEU 89 2.784 3.260 -4.053 698 HB2 LEU 89 2HB LEU 89 1.278 2.744 -2.047 699 HB3 LEU 89 1HB LEU 89 2.686 2.913 -1.036 700 HG LEU 89 HG LEU 89 1.199 4.879 -0.944 701 HD11 LEU 89 1HD1 LEU 89 3.856 5.505 -2.167 702 HD12 LEU 89 2HD1 LEU 89 3.497 5.283 -0.451 703 HD13 LEU 89 3HD1 LEU 89 2.811 6.651 -1.330 704 HD21 LEU 89 3HD2 LEU 89 0.987 6.410 -2.834 705 HD22 LEU 89 1HD2 LEU 89 0.291 4.833 -3.198 706 HD23 LEU 89 2HD2 LEU 89 1.868 5.285 -3.859 707 H ALA 90 H ALA 90 4.908 1.496 -1.869 708 HA ALA 90 HA ALA 90 6.964 3.386 -1.528 709 HB1 ALA 90 1HB ALA 90 6.778 1.280 -0.243 710 HB2 ALA 90 2HB ALA 90 8.381 1.504 -0.942 711 HB3 ALA 90 3HB ALA 90 7.243 0.382 -1.687 712 H ASP 91 H ASP 91 6.422 0.933 -3.936 713 HA ASP 91 HA ASP 91 8.798 1.385 -5.419 714 HB2 ASP 91 2HB ASP 91 7.581 -0.720 -5.569 715 HB3 ASP 91 1HB ASP 91 6.173 0.110 -6.219 716 H TYR 92 H TYR 92 5.505 2.480 -5.645 717 HA TYR 92 HA TYR 92 5.479 3.981 -7.959 718 HB2 TYR 92 2HB TYR 92 3.871 3.590 -5.708 719 HB3 TYR 92 1HB TYR 92 4.073 5.327 -5.866 720 HD1 TYR 92 1HD TYR 92 3.539 6.332 -8.181 721 HD2 TYR 92 2HD TYR 92 2.323 2.462 -6.936 722 HE1 TYR 92 1HE TYR 92 1.699 6.393 -9.815 723 HE2 TYR 92 2HE TYR 92 0.513 2.479 -8.586 724 HH TYR 92 HH TYR 92 -0.819 4.093 -9.775 725 H ILE 93 H ILE 93 6.273 5.106 -4.637 726 HA ILE 93 HA ILE 93 6.856 7.723 -5.513 727 HB ILE 93 HB ILE 93 7.930 8.137 -3.315 728 HG12 ILE 93 2HG1 ILE 93 7.353 5.206 -2.763 729 HG13 ILE 93 1HG1 ILE 93 8.943 5.909 -2.971 730 HG21 ILE 93 1HG2 ILE 93 5.925 7.789 -1.939 731 HG22 ILE 93 2HG2 ILE 93 5.288 6.712 -3.184 732 HG23 ILE 93 3HG2 ILE 93 5.541 8.417 -3.544 733 HD11 ILE 93 3HD1 ILE 93 8.474 5.552 -0.625 734 HD12 ILE 93 1HD1 ILE 93 7.018 6.538 -0.743 735 HD13 ILE 93 2HD1 ILE 93 8.602 7.277 -0.962 736 H GLN 94 H GLN 94 8.869 4.908 -5.149 737 HA GLN 94 HA GLN 94 11.363 6.140 -5.667 738 HB2 GLN 94 2HB GLN 94 10.335 3.372 -6.221 739 HB3 GLN 94 1HB GLN 94 12.003 3.846 -6.488 740 HG2 GLN 94 2HG GLN 94 12.297 4.276 -4.131 741 HG3 GLN 94 1HG GLN 94 10.578 4.011 -3.836 742 HE21 GLN 94 1HE2 GLN 94 11.013 2.394 -2.372 743 HE22 GLN 94 2HE2 GLN 94 11.503 0.816 -2.853 744 H GLU 95 H GLU 95 8.881 4.758 -7.731 745 HA GLU 95 HA GLU 95 10.140 5.047 -10.163 746 HB2 GLU 95 2HB GLU 95 7.345 4.814 -9.253 747 HB3 GLU 95 1HB GLU 95 7.600 5.076 -10.955 748 HG2 GLU 95 2HG GLU 95 8.642 2.821 -9.243 749 HG3 GLU 95 1HG GLU 95 7.404 2.713 -10.496 750 H GLN 96 H GLN 96 8.375 7.297 -8.239 751 HA GLN 96 HA GLN 96 8.326 9.395 -10.265 752 HB2 GLN 96 2HB GLN 96 7.719 9.520 -7.345 753 HB3 GLN 96 1HB GLN 96 7.295 10.727 -8.537 754 HG2 GLN 96 2HG GLN 96 6.171 7.962 -8.149 755 HG3 GLN 96 1HG GLN 96 5.317 9.497 -8.064 756 HE21 GLN 96 1HE2 GLN 96 4.864 7.054 -9.616 757 HE22 GLN 96 2HE2 GLN 96 4.773 7.525 -11.262 758 H GLY 97 H GLY 97 10.745 8.137 -8.500 759 HA2 GLY 97 2HA GLY 97 12.889 8.925 -8.352 760 HA3 GLY 97 1HA GLY 97 12.321 10.484 -8.939 761 H TRP 98 H TRP 98 10.728 9.002 -6.244 762 HA TRP 98 HA TRP 98 12.048 10.972 -4.543 763 HB2 TRP 98 2HB TRP 98 9.398 9.589 -4.072 764 HB3 TRP 98 1HB TRP 98 10.082 10.923 -3.150 765 HD1 TRP 98 HD TRP 98 10.901 12.756 -5.708 766 HE1 TRP 98 1HE TRP 98 9.041 13.912 -7.052 767 HE3 TRP 98 3HE TRP 98 6.933 9.896 -4.247 768 HZ2 TRP 98 2HZ TRP 98 6.263 13.691 -7.411 769 HZ3 TRP 98 3HZ TRP 98 4.703 10.446 -5.130 770 HH2 TRP 98 HH TRP 98 4.376 12.296 -6.676 771 H GLN 99 H GLN 99 12.151 10.279 -2.228 772 HA GLN 99 HA GLN 99 12.597 7.430 -1.801 773 HB2 GLN 99 2HB GLN 99 14.777 7.918 -0.693 774 HB3 GLN 99 1HB GLN 99 14.802 8.222 -2.427 775 HG2 GLN 99 2HG GLN 99 14.598 10.601 -2.039 776 HG3 GLN 99 1HG GLN 99 14.478 10.336 -0.303 777 HE21 GLN 99 1HE2 GLN 99 16.469 11.844 -1.926 778 HE22 GLN 99 2HE2 GLN 99 17.991 11.180 -1.459 779 H THR 100 H THR 100 12.951 7.102 0.639 780 HA THR 100 HA THR 100 11.979 9.282 2.256 781 HB THR 100 HB THR 100 9.925 8.126 1.372 782 HG1 THR 100 1HG THR 100 9.379 9.041 3.123 783 HG21 THR 100 3HG2 THR 100 9.330 5.934 2.327 784 HG22 THR 100 1HG2 THR 100 10.930 5.822 3.057 785 HG23 THR 100 2HG2 THR 100 10.760 5.824 1.299 786 H TYR 101 H TYR 101 11.637 8.144 4.633 787 HA TYR 101 HA TYR 101 14.085 6.552 5.054 788 HB2 TYR 101 2HB TYR 101 12.830 8.587 6.904 789 HB3 TYR 101 1HB TYR 101 14.106 7.484 7.386 790 HD1 TYR 101 2HD TYR 101 16.256 7.600 5.785 791 HD2 TYR 101 1HD TYR 101 13.416 10.716 6.304 792 HE1 TYR 101 2HE TYR 101 17.946 9.245 5.092 793 HE2 TYR 101 1HE TYR 101 15.095 12.369 5.607 794 HH TYR 101 HH TYR 101 17.518 12.544 5.594 795 H GLY 102 H GLY 102 13.619 4.534 5.632 796 HA2 GLY 102 2HA GLY 102 12.807 3.153 7.438 797 HA3 GLY 102 1HA GLY 102 11.383 4.185 7.511 798 H ASP 103 H ASP 103 10.089 2.349 7.344 799 HA ASP 103 HA ASP 103 10.070 1.043 4.723 800 HB2 ASP 103 2HB ASP 103 10.137 -0.370 6.845 801 HB3 ASP 103 1HB ASP 103 8.545 0.300 7.212 802 H VAL 104 H VAL 104 8.306 1.307 3.487 803 HA VAL 104 HA VAL 104 6.598 3.558 4.155 804 HB VAL 104 HB VAL 104 6.665 1.865 1.645 805 HG11 VAL 104 1HG1 VAL 104 5.289 4.513 2.165 806 HG12 VAL 104 2HG1 VAL 104 4.493 2.958 1.934 807 HG13 VAL 104 3HG1 VAL 104 5.379 3.699 0.601 808 HG21 VAL 104 3HG2 VAL 104 8.746 3.091 1.987 809 HG22 VAL 104 1HG2 VAL 104 7.826 4.583 2.189 810 HG23 VAL 104 2HG2 VAL 104 7.840 3.760 0.627 811 H VAL 105 H VAL 105 4.665 3.348 4.994 812 HA VAL 105 HA VAL 105 3.314 0.809 4.651 813 HB VAL 105 HB VAL 105 4.423 0.689 6.823 814 HG11 VAL 105 1HG1 VAL 105 3.832 2.175 8.683 815 HG12 VAL 105 2HG1 VAL 105 2.899 3.172 7.567 816 HG13 VAL 105 3HG1 VAL 105 4.646 3.026 7.370 817 HG21 VAL 105 3HG2 VAL 105 2.467 0.202 8.250 818 HG22 VAL 105 1HG2 VAL 105 2.279 -0.436 6.616 819 HG23 VAL 105 2HG2 VAL 105 1.434 1.036 7.091 820 H VAL 106 H VAL 106 1.266 0.990 4.097 821 HA VAL 106 HA VAL 106 0.004 3.559 4.483 822 HB VAL 106 HB VAL 106 -1.621 2.863 2.760 823 HG11 VAL 106 1HG1 VAL 106 -0.143 2.849 0.768 824 HG12 VAL 106 2HG1 VAL 106 1.241 2.632 1.842 825 HG13 VAL 106 3HG1 VAL 106 0.269 4.096 1.935 826 HG21 VAL 106 3HG2 VAL 106 0.071 0.399 2.395 827 HG22 VAL 106 1HG2 VAL 106 -1.316 0.854 1.414 828 HG23 VAL 106 2HG2 VAL 106 -1.535 0.441 3.116 829 H ARG 107 H ARG 107 -1.599 3.658 5.832 830 HA ARG 107 HA ARG 107 -2.220 1.222 7.350 831 HB2 ARG 107 2HB ARG 107 -2.408 4.127 8.048 832 HB3 ARG 107 1HB ARG 107 -2.906 2.793 9.078 833 HG2 ARG 107 2HG ARG 107 -0.669 2.049 9.361 834 HG3 ARG 107 1HG ARG 107 -0.087 3.098 8.068 835 HD2 ARG 107 2HD ARG 107 0.443 3.950 10.337 836 HD3 ARG 107 1HD ARG 107 -0.521 5.060 9.374 837 HE ARG 107 HE ARG 107 -2.222 3.460 10.917 838 HH11 ARG 107 1HH1 ARG 107 0.139 6.167 11.428 839 HH12 ARG 107 2HH1 ARG 107 -0.703 6.737 12.763 840 HH21 ARG 107 1HH2 ARG 107 -3.328 4.370 12.728 841 HH22 ARG 107 2HH2 ARG 107 -2.660 5.692 13.569 842 H PHE 108 H PHE 108 -4.193 0.456 7.147 843 HA PHE 108 HA PHE 108 -6.324 2.297 6.343 844 HB2 PHE 108 2HB PHE 108 -6.166 -0.714 6.020 845 HB3 PHE 108 1HB PHE 108 -7.565 0.265 5.619 846 HD1 PHE 108 1HD PHE 108 -4.175 -0.645 4.674 847 HD2 PHE 108 2HD PHE 108 -7.617 1.587 3.625 848 HE1 PHE 108 1HE PHE 108 -3.307 -0.410 2.375 849 HE2 PHE 108 2HE PHE 108 -6.761 1.860 1.325 850 HZ PHE 108 HZ PHE 108 -4.599 0.857 0.700 851 H GLU 109 H GLU 109 -7.463 2.836 8.025 852 HA GLU 109 HA GLU 109 -8.155 0.780 9.925 853 HB2 GLU 109 2HB GLU 109 -7.707 2.366 11.853 854 HB3 GLU 109 1HB GLU 109 -6.308 1.642 11.085 855 HG2 GLU 109 2HG GLU 109 -5.931 3.723 9.852 856 HG3 GLU 109 1HG GLU 109 -7.316 4.444 10.676 857 H GLN 110 H GLN 110 -9.783 1.650 11.551 858 HA GLN 110 HA GLN 110 -11.819 2.862 9.860 859 HB2 GLN 110 2HB GLN 110 -13.429 1.918 11.466 860 HB3 GLN 110 1HB GLN 110 -12.442 0.697 10.665 861 HG2 GLN 110 2HG GLN 110 -11.075 0.470 12.602 862 HG3 GLN 110 1HG GLN 110 -11.910 1.789 13.412 863 HE21 GLN 110 1HE2 GLN 110 -13.873 1.414 14.368 864 HE22 GLN 110 2HE2 GLN 110 -14.550 -0.171 14.522 865 H SER 111 H SER 111 -13.279 4.215 10.735 866 HA SER 111 HA SER 111 -12.842 5.391 13.315 867 HB2 SER 111 2HB SER 111 -11.559 6.810 11.704 868 HB3 SER 111 1HB SER 111 -13.047 7.064 10.795 869 HG SER 111 HG SER 111 -12.214 8.091 13.211 870 H SER 112 H SER 112 -14.756 5.056 14.189 871 HA SER 112 HA SER 112 -17.185 5.079 12.691 872 HB2 SER 112 2HB SER 112 -18.077 4.916 15.144 873 HB3 SER 112 1HB SER 112 -17.169 3.559 14.462 874 HG SER 112 HG SER 112 -16.585 5.079 16.584 875 H ASN 113 H ASN 113 -15.159 7.371 13.739 876 HA ASN 113 HA ASN 113 -17.044 9.432 14.502 877 HB2 ASN 113 2HB ASN 113 -14.780 9.408 15.482 878 HB3 ASN 113 1HB ASN 113 -14.077 9.540 13.880 879 HD21 ASN 113 1HD2 ASN 113 -13.007 11.442 14.332 880 HD22 ASN 113 2HD2 ASN 113 -13.832 12.934 14.538 881 H LEU 114 H LEU 114 -15.076 8.442 11.782 882 HA LEU 114 HA LEU 114 -15.811 10.574 10.043 883 HB2 LEU 114 2HB LEU 114 -13.723 9.207 9.845 884 HB3 LEU 114 1HB LEU 114 -14.705 7.829 9.410 885 HG LEU 114 HG LEU 114 -15.407 9.011 7.347 886 HD11 LEU 114 1HD1 LEU 114 -14.195 11.022 6.656 887 HD12 LEU 114 2HD1 LEU 114 -13.422 11.100 8.240 888 HD13 LEU 114 3HD1 LEU 114 -15.169 11.303 8.095 889 HD21 LEU 114 3HD2 LEU 114 -13.270 8.822 6.192 890 HD22 LEU 114 1HD2 LEU 114 -13.518 7.476 7.303 891 HD23 LEU 114 2HD2 LEU 114 -12.431 8.792 7.744 892 H HIS 115 H HIS 115 -17.063 10.083 7.964 893 HA HIS 115 HA HIS 115 -19.549 8.876 8.812 894 HB2 HIS 115 2HB HIS 115 -19.327 11.179 7.687 895 HB3 HIS 115 1HB HIS 115 -18.995 10.281 6.211 896 HD1 HIS 115 1HD HIS 115 -21.060 8.930 5.144 897 HD2 HIS 115 2HD HIS 115 -21.942 11.270 8.478 898 HE1 HIS 115 1HE HIS 115 -23.560 9.128 5.225 899 H THR 116 H THR 116 -20.638 7.385 7.538 900 HA THR 116 HA THR 116 -19.252 5.205 6.501 901 HB THR 116 HB THR 116 -22.111 6.079 6.025 902 HG1 THR 116 1HG THR 116 -21.822 4.257 7.989 903 HG21 THR 116 3HG2 THR 116 -20.832 3.339 6.055 904 HG22 THR 116 1HG2 THR 116 -21.441 4.185 4.636 905 HG23 THR 116 2HG2 THR 116 -22.559 3.653 5.895 906 H GLY 117 H GLY 117 -18.497 4.802 4.406 907 HA2 GLY 117 2HA GLY 117 -18.275 4.950 2.161 908 HA3 GLY 117 1HA GLY 117 -19.687 5.997 2.113 909 H GLN 118 H GLN 118 -16.887 6.749 4.110 910 HA GLN 118 HA GLN 118 -16.056 8.738 2.177 911 HB2 GLN 118 2HB GLN 118 -17.645 9.646 3.961 912 HB3 GLN 118 1HB GLN 118 -16.423 9.197 5.128 913 HG2 GLN 118 2HG GLN 118 -14.841 10.656 4.118 914 HG3 GLN 118 1HG GLN 118 -16.017 11.052 2.856 915 HE21 GLN 118 1HE2 GLN 118 -14.699 12.790 4.783 916 HE22 GLN 118 2HE2 GLN 118 -15.957 13.581 5.662 917 H PHE 119 H PHE 119 -13.746 9.192 2.412 918 HA PHE 119 HA PHE 119 -12.396 7.681 4.491 919 HB2 PHE 119 2HB PHE 119 -10.812 6.641 3.006 920 HB3 PHE 119 1HB PHE 119 -12.414 6.295 2.417 921 HD1 PHE 119 2HD PHE 119 -13.248 7.241 0.341 922 HD2 PHE 119 1HD PHE 119 -9.287 8.018 1.686 923 HE1 PHE 119 2HE PHE 119 -12.640 8.026 -1.912 924 HE2 PHE 119 1HE PHE 119 -8.668 8.796 -0.556 925 HZ PHE 119 HZ PHE 119 -10.349 8.802 -2.366 926 H ARG 120 H ARG 120 -10.302 8.373 4.906 927 HA ARG 120 HA ARG 120 -9.580 11.015 3.858 928 HB2 ARG 120 2HB ARG 120 -9.354 9.955 6.680 929 HB3 ARG 120 1HB ARG 120 -8.382 11.301 6.121 930 HG2 ARG 120 2HG ARG 120 -11.391 11.261 6.153 931 HG3 ARG 120 1HG ARG 120 -10.375 11.970 7.413 932 HD2 ARG 120 2HD ARG 120 -9.361 13.435 5.666 933 HD3 ARG 120 1HD ARG 120 -10.539 12.809 4.515 934 HE ARG 120 HE ARG 120 -11.706 13.867 6.898 935 HH11 ARG 120 1HH1 ARG 120 -10.519 14.705 3.656 936 HH12 ARG 120 2HH1 ARG 120 -11.407 16.141 3.538 937 HH21 ARG 120 1HH2 ARG 120 -12.921 15.880 6.732 938 HH22 ARG 120 2HH2 ARG 120 -12.799 16.836 5.333 939 H ALA 121 H ALA 121 -7.559 11.109 3.036 940 HA ALA 121 HA ALA 121 -5.701 8.943 3.689 941 HB1 ALA 121 1HB ALA 121 -6.239 10.042 0.922 942 HB2 ALA 121 2HB ALA 121 -6.711 8.449 1.507 943 HB3 ALA 121 3HB ALA 121 -5.004 8.853 1.331 944 H ARG 122 H ARG 122 -3.894 9.756 4.454 945 HA ARG 122 HA ARG 122 -2.983 12.393 3.535 946 HB2 ARG 122 2HB ARG 122 -4.162 12.734 5.628 947 HB3 ARG 122 1HB ARG 122 -3.234 11.459 6.398 948 HG2 ARG 122 2HG ARG 122 -1.196 12.809 6.129 949 HG3 ARG 122 1HG ARG 122 -2.170 14.089 5.400 950 HD2 ARG 122 2HD ARG 122 -3.457 14.314 7.426 951 HD3 ARG 122 1HD ARG 122 -2.593 12.967 8.161 952 HE ARG 122 HE ARG 122 -0.742 14.877 7.375 953 HH11 ARG 122 1HH1 ARG 122 -3.455 14.653 9.641 954 HH12 ARG 122 2HH1 ARG 122 -2.731 15.587 10.858 955 HH21 ARG 122 1HH2 ARG 122 0.298 16.198 9.092 956 HH22 ARG 122 2HH2 ARG 122 -0.553 16.492 10.530 957 H GLY 123 H GLY 123 -0.812 12.550 3.290 958 HA2 GLY 123 2HA GLY 123 0.757 10.126 3.869 959 HA3 GLY 123 1HA GLY 123 1.140 11.311 2.624 960 H THR 124 H THR 124 1.818 10.320 5.762 961 HA THR 124 HA THR 124 2.858 12.937 6.457 962 HB THR 124 HB THR 124 2.248 10.528 8.162 963 HG1 THR 124 1HG THR 124 0.678 12.411 8.917 964 HG21 THR 124 3HG2 THR 124 4.035 11.955 9.046 965 HG22 THR 124 1HG2 THR 124 2.592 12.018 10.066 966 HG23 THR 124 2HG2 THR 124 2.954 13.349 8.958 967 H VAL 125 H VAL 125 4.998 13.119 6.917 968 HA VAL 125 HA VAL 125 6.746 10.850 6.418 969 HB VAL 125 HB VAL 125 7.438 13.738 7.120 970 HG11 VAL 125 1HG1 VAL 125 9.188 12.184 7.825 971 HG12 VAL 125 2HG1 VAL 125 9.735 13.144 6.447 972 HG13 VAL 125 3HG1 VAL 125 9.226 11.475 6.210 973 HG21 VAL 125 3HG2 VAL 125 8.053 14.046 4.834 974 HG22 VAL 125 1HG2 VAL 125 6.398 13.444 4.869 975 HG23 VAL 125 2HG2 VAL 125 7.752 12.361 4.460 976 H ASN 126 H ASN 126 6.925 9.565 8.090 977 HA ASN 126 HA ASN 126 6.860 10.704 10.775 978 HB2 ASN 126 2HB ASN 126 5.250 8.898 10.429 979 HB3 ASN 126 1HB ASN 126 6.522 7.842 9.824 980 HD21 ASN 126 1HD2 ASN 126 5.983 6.293 11.457 981 HD22 ASN 126 2HD2 ASN 126 6.472 6.533 13.075 982 HA PRO 127 HA PRO 127 11.307 9.980 10.301 983 HB2 PRO 127 2HB PRO 127 11.610 11.690 12.634 984 HB3 PRO 127 1HB PRO 127 12.126 12.002 10.977 985 HG2 PRO 127 2HG PRO 127 10.123 13.384 12.202 986 HG3 PRO 127 1HG PRO 127 10.194 13.122 10.453 987 HD2 PRO 127 2HD PRO 127 8.571 11.706 12.519 988 HD3 PRO 127 1HD PRO 127 8.127 12.220 10.874 989 H ASP 128 H ASP 128 9.182 9.626 12.911 990 HA ASP 128 HA ASP 128 11.111 8.224 14.604 991 HB2 ASP 128 2HB ASP 128 8.331 9.273 15.138 992 HB3 ASP 128 1HB ASP 128 9.242 8.314 16.298 993 H VAL 129 H VAL 129 10.447 7.016 12.303 994 HA VAL 129 HA VAL 129 8.541 4.946 13.014 995 HB VAL 129 HB VAL 129 8.194 5.872 10.771 996 HG11 VAL 129 1HG1 VAL 129 9.869 5.652 8.982 997 HG12 VAL 129 2HG1 VAL 129 11.037 5.075 10.177 998 HG13 VAL 129 3HG1 VAL 129 10.389 6.713 10.296 999 HG21 VAL 129 3HG2 VAL 129 8.309 3.819 9.420 1000 HG22 VAL 129 1HG2 VAL 129 7.720 3.496 11.051 1001 HG23 VAL 129 2HG2 VAL 129 9.383 3.101 10.618 1002 H GLU 130 H GLU 130 9.402 3.416 14.126 1003 HA GLU 130 HA GLU 130 12.189 2.905 13.820 1004 HB2 GLU 130 2HB GLU 130 10.204 1.818 15.764 1005 HB3 GLU 130 1HB GLU 130 11.838 1.172 15.641 1006 HG2 GLU 130 2HG GLU 130 11.119 4.041 16.252 1007 HG3 GLU 130 1HG GLU 130 11.694 2.798 17.376 1008 H THR 131 H THR 131 13.112 1.552 12.724 1009 HA THR 131 HA THR 131 11.688 -0.179 10.984 1010 HB THR 131 HB THR 131 14.655 0.280 11.389 1011 HG1 THR 131 1HG THR 131 14.335 2.091 10.390 1012 HG21 THR 131 3HG2 THR 131 14.107 -1.757 10.166 1013 HG22 THR 131 1HG2 THR 131 14.855 -0.551 9.108 1014 HG23 THR 131 2HG2 THR 131 13.102 -0.814 9.058 1015 H HIS 132 H HIS 132 11.568 -2.369 11.196 1016 HA HIS 132 HA HIS 132 13.058 -3.553 13.377 1017 HB2 HIS 132 2HB HIS 132 11.292 -5.313 13.560 1018 HB3 HIS 132 1HB HIS 132 10.671 -3.713 13.898 1019 HD1 HIS 132 1HD HIS 132 10.197 -6.643 11.714 1020 HD2 HIS 132 2HD HIS 132 8.904 -2.703 11.882 1021 HE1 HIS 132 1HE HIS 132 8.152 -6.517 10.237 Start of MODEL 17 1 H1 MET 1 1HT MET 1 10.787 33.279 -9.169 2 H2 MET 1 2HT MET 1 11.875 32.044 -8.945 3 H3 MET 1 3HT MET 1 11.775 33.291 -7.786 4 HA MET 1 HA MET 1 10.716 31.284 -7.015 5 HB2 MET 1 2HB MET 1 9.718 33.433 -6.348 6 HB3 MET 1 1HB MET 1 8.740 33.434 -7.808 7 HG2 MET 1 2HG MET 1 7.429 32.763 -5.866 8 HG3 MET 1 1HG MET 1 7.556 31.453 -7.038 9 HE1 MET 1 2HE MET 1 6.570 31.039 -4.048 10 HE2 MET 1 3HE MET 1 7.436 29.565 -3.609 11 HE3 MET 1 1HE MET 1 6.712 29.724 -5.210 12 H GLY 2 H GLY 2 10.277 29.380 -7.845 13 HA2 GLY 2 2HA GLY 2 8.630 29.313 -10.277 14 HA3 GLY 2 1HA GLY 2 9.900 28.152 -9.908 15 H SER 3 H SER 3 9.600 27.082 -7.693 16 HA SER 3 HA SER 3 8.527 25.504 -6.556 17 HB2 SER 3 2HB SER 3 7.254 27.415 -5.574 18 HB3 SER 3 1HB SER 3 6.104 27.329 -6.899 19 HG SER 3 HG SER 3 6.553 25.053 -5.347 20 H GLN 4 H GLN 4 8.999 24.179 -8.370 21 HA GLN 4 HA GLN 4 6.895 23.867 -10.286 22 HB2 GLN 4 2HB GLN 4 9.608 22.559 -10.237 23 HB3 GLN 4 1HB GLN 4 8.407 22.339 -11.500 24 HG2 GLN 4 2HG GLN 4 8.493 24.828 -11.860 25 HG3 GLN 4 1HG GLN 4 9.890 24.852 -10.784 26 HE21 GLN 4 1HE2 GLN 4 11.807 23.865 -11.475 27 HE22 GLN 4 2HE2 GLN 4 12.089 23.498 -13.137 28 H LYS 5 H LYS 5 5.369 23.042 -9.032 29 HA LYS 5 HA LYS 5 5.566 20.134 -8.803 30 HB2 LYS 5 2HB LYS 5 4.025 20.082 -6.921 31 HB3 LYS 5 1HB LYS 5 5.305 21.189 -6.498 32 HG2 LYS 5 2HG LYS 5 2.570 22.020 -7.480 33 HG3 LYS 5 1HG LYS 5 3.024 21.903 -5.788 34 HD2 LYS 5 2HD LYS 5 4.764 23.628 -6.190 35 HD3 LYS 5 1HD LYS 5 4.197 23.763 -7.855 36 HE2 LYS 5 2HE LYS 5 1.974 24.406 -7.022 37 HE3 LYS 5 1HE LYS 5 2.579 24.302 -5.375 38 HZ1 LYS 5 3HZ LYS 5 2.634 26.561 -6.036 39 HZ2 LYS 5 1HZ LYS 5 3.467 26.217 -7.472 40 HZ3 LYS 5 2HZ LYS 5 4.228 26.013 -5.983 41 H ARG 6 H ARG 6 3.414 19.093 -9.381 42 HA ARG 6 HA ARG 6 1.670 20.831 -10.888 43 HB2 ARG 6 2HB ARG 6 2.088 19.645 -13.022 44 HB3 ARG 6 1HB ARG 6 3.457 20.617 -12.479 45 HG2 ARG 6 2HG ARG 6 4.515 18.693 -11.588 46 HG3 ARG 6 1HG ARG 6 3.149 17.678 -12.045 47 HD2 ARG 6 2HD ARG 6 3.595 18.150 -14.388 48 HD3 ARG 6 1HD ARG 6 4.954 19.194 -13.939 49 HE ARG 6 HE ARG 6 5.446 16.807 -12.735 50 HH11 ARG 6 1HH1 ARG 6 4.934 17.800 -16.082 51 HH12 ARG 6 2HH1 ARG 6 5.929 16.598 -16.755 52 HH21 ARG 6 1HH2 ARG 6 6.811 15.139 -13.649 53 HH22 ARG 6 2HH2 ARG 6 7.039 15.069 -15.341 54 H LEU 7 H LEU 7 -0.158 19.797 -11.619 55 HA LEU 7 HA LEU 7 -0.585 17.100 -10.615 56 HB2 LEU 7 2HB LEU 7 -2.567 19.205 -11.574 57 HB3 LEU 7 1HB LEU 7 -3.022 17.569 -11.162 58 HG LEU 7 HG LEU 7 -2.271 18.070 -8.801 59 HD11 LEU 7 1HD1 LEU 7 -2.205 20.914 -9.784 60 HD12 LEU 7 2HD1 LEU 7 -0.815 19.970 -9.257 61 HD13 LEU 7 3HD1 LEU 7 -2.088 20.386 -8.104 62 HD21 LEU 7 3HD2 LEU 7 -4.289 19.338 -8.254 63 HD22 LEU 7 1HD2 LEU 7 -4.609 18.065 -9.430 64 HD23 LEU 7 2HD2 LEU 7 -4.491 19.744 -9.959 65 H VAL 8 H VAL 8 0.576 16.086 -12.186 66 HA VAL 8 HA VAL 8 0.417 16.717 -14.940 67 HB VAL 8 HB VAL 8 2.334 15.535 -13.841 68 HG11 VAL 8 1HG1 VAL 8 2.251 13.102 -13.535 69 HG12 VAL 8 2HG1 VAL 8 0.519 13.142 -13.859 70 HG13 VAL 8 3HG1 VAL 8 1.168 13.971 -12.446 71 HG21 VAL 8 3HG2 VAL 8 1.155 14.134 -16.242 72 HG22 VAL 8 1HG2 VAL 8 2.833 14.002 -15.713 73 HG23 VAL 8 2HG2 VAL 8 2.203 15.555 -16.256 74 H GLN 9 H GLN 9 -0.630 15.575 -16.638 75 HA GLN 9 HA GLN 9 -3.188 14.587 -15.865 76 HB2 GLN 9 2HB GLN 9 -2.736 16.042 -17.901 77 HB3 GLN 9 1HB GLN 9 -1.948 14.662 -18.629 78 HG2 GLN 9 2HG GLN 9 -4.828 14.598 -17.752 79 HG3 GLN 9 1HG GLN 9 -4.337 15.173 -19.335 80 HE21 GLN 9 1HE2 GLN 9 -2.254 13.169 -19.652 81 HE22 GLN 9 2HE2 GLN 9 -3.046 11.682 -19.957 82 H ARG 10 H ARG 10 -3.379 12.681 -15.121 83 HA ARG 10 HA ARG 10 -1.544 10.533 -15.798 84 HB2 ARG 10 2HB ARG 10 -3.614 10.989 -13.672 85 HB3 ARG 10 1HB ARG 10 -2.925 9.402 -13.958 86 HG2 ARG 10 2HG ARG 10 -1.191 11.782 -13.404 87 HG3 ARG 10 1HG ARG 10 -1.906 10.826 -12.101 88 HD2 ARG 10 2HD ARG 10 -0.102 9.795 -14.292 89 HD3 ARG 10 1HD ARG 10 0.333 10.004 -12.593 90 HE ARG 10 HE ARG 10 -1.893 8.415 -12.554 91 HH11 ARG 10 1HH1 ARG 10 1.364 8.052 -13.909 92 HH12 ARG 10 2HH1 ARG 10 1.304 6.356 -13.901 93 HH21 ARG 10 1HH2 ARG 10 -1.979 6.208 -12.572 94 HH22 ARG 10 2HH2 ARG 10 -0.688 5.235 -13.156 95 H VAL 11 H VAL 11 -2.155 9.294 -17.508 96 HA VAL 11 HA VAL 11 -4.975 9.092 -18.002 97 HB VAL 11 HB VAL 11 -3.615 9.445 -20.006 98 HG11 VAL 11 1HG1 VAL 11 -2.314 6.805 -19.425 99 HG12 VAL 11 2HG1 VAL 11 -1.546 8.399 -19.457 100 HG13 VAL 11 3HG1 VAL 11 -2.175 7.690 -20.939 101 HG21 VAL 11 3HG2 VAL 11 -5.706 8.297 -20.339 102 HG22 VAL 11 1HG2 VAL 11 -4.947 6.743 -19.983 103 HG23 VAL 11 2HG2 VAL 11 -4.497 7.628 -21.435 104 H GLU 12 H GLU 12 -5.388 8.167 -16.116 105 HA GLU 12 HA GLU 12 -5.063 5.279 -16.098 106 HB2 GLU 12 2HB GLU 12 -5.363 5.461 -13.588 107 HB3 GLU 12 1HB GLU 12 -3.862 6.117 -14.211 108 HG2 GLU 12 2HG GLU 12 -4.813 8.373 -14.072 109 HG3 GLU 12 1HG GLU 12 -6.291 7.691 -13.397 110 H ARG 13 H ARG 13 -7.124 4.888 -14.096 111 HA ARG 13 HA ARG 13 -9.345 5.691 -15.836 112 HB2 ARG 13 2HB ARG 13 -9.187 3.115 -14.277 113 HB3 ARG 13 1HB ARG 13 -10.440 3.588 -15.407 114 HG2 ARG 13 2HG ARG 13 -7.580 2.903 -16.043 115 HG3 ARG 13 1HG ARG 13 -9.009 1.940 -16.402 116 HD2 ARG 13 2HD ARG 13 -9.783 3.694 -17.949 117 HD3 ARG 13 1HD ARG 13 -8.337 4.643 -17.588 118 HE ARG 13 HE ARG 13 -8.040 1.926 -18.563 119 HH11 ARG 13 1HH1 ARG 13 -7.770 5.379 -19.375 120 HH12 ARG 13 2HH1 ARG 13 -6.665 5.103 -20.642 121 HH21 ARG 13 1HH2 ARG 13 -6.546 1.608 -20.310 122 HH22 ARG 13 2HH2 ARG 13 -5.976 2.954 -21.191 123 H LYS 14 H LYS 14 -11.259 6.204 -14.867 124 HA LYS 14 HA LYS 14 -11.162 7.156 -12.167 125 HB2 LYS 14 2HB LYS 14 -12.486 8.128 -14.166 126 HB3 LYS 14 1HB LYS 14 -13.573 6.775 -13.961 127 HG2 LYS 14 2HG LYS 14 -13.071 8.854 -11.829 128 HG3 LYS 14 1HG LYS 14 -14.345 8.987 -13.025 129 HD2 LYS 14 2HD LYS 14 -14.072 6.845 -10.903 130 HD3 LYS 14 1HD LYS 14 -15.216 8.179 -10.895 131 HE2 LYS 14 2HE LYS 14 -15.148 5.823 -12.788 132 HE3 LYS 14 1HE LYS 14 -16.356 6.172 -11.563 133 HZ1 LYS 14 3HZ LYS 14 -15.879 7.674 -14.076 134 HZ2 LYS 14 1HZ LYS 14 -16.964 8.187 -12.884 135 HZ3 LYS 14 2HZ LYS 14 -17.200 6.733 -13.722 136 H LEU 15 H LEU 15 -12.616 4.504 -13.983 137 HA LEU 15 HA LEU 15 -12.345 2.877 -11.657 138 HB2 LEU 15 2HB LEU 15 -14.587 1.861 -11.810 139 HB3 LEU 15 1HB LEU 15 -14.662 3.540 -11.363 140 HG LEU 15 HG LEU 15 -15.346 4.014 -13.782 141 HD11 LEU 15 1HD1 LEU 15 -16.347 2.198 -15.050 142 HD12 LEU 15 2HD1 LEU 15 -15.791 1.034 -13.848 143 HD13 LEU 15 3HD1 LEU 15 -14.620 1.925 -14.819 144 HD21 LEU 15 3HD2 LEU 15 -16.908 4.063 -11.952 145 HD22 LEU 15 1HD2 LEU 15 -17.107 2.313 -12.047 146 HD23 LEU 15 2HD2 LEU 15 -17.653 3.335 -13.376 147 H GLU 16 H GLU 16 -12.170 0.717 -12.131 148 HA GLU 16 HA GLU 16 -11.552 0.221 -14.943 149 HB2 GLU 16 2HB GLU 16 -10.689 -1.278 -12.460 150 HB3 GLU 16 1HB GLU 16 -10.174 -1.623 -14.104 151 HG2 GLU 16 2HG GLU 16 -9.096 0.584 -14.212 152 HG3 GLU 16 1HG GLU 16 -9.581 0.878 -12.544 153 H GLN 17 H GLN 17 -12.377 -1.774 -15.838 154 HA GLN 17 HA GLN 17 -14.924 -2.415 -14.646 155 HB2 GLN 17 2HB GLN 17 -13.712 -3.435 -17.220 156 HB3 GLN 17 1HB GLN 17 -15.350 -3.742 -16.667 157 HG2 GLN 17 2HG GLN 17 -15.792 -1.310 -16.776 158 HG3 GLN 17 1HG GLN 17 -14.178 -1.090 -17.454 159 HE21 GLN 17 1HE2 GLN 17 -16.760 -0.504 -18.613 160 HE22 GLN 17 2HE2 GLN 17 -16.852 -1.393 -20.077 161 H THR 18 H THR 18 -13.729 -3.243 -12.814 162 HA THR 18 HA THR 18 -12.482 -5.792 -13.061 163 HB THR 18 HB THR 18 -13.534 -4.524 -10.608 164 HG1 THR 18 1HG THR 18 -10.950 -3.975 -11.718 165 HG21 THR 18 3HG2 THR 18 -12.585 -6.731 -10.382 166 HG22 THR 18 1HG2 THR 18 -11.525 -5.565 -9.586 167 HG23 THR 18 2HG2 THR 18 -11.098 -6.206 -11.174 168 H VAL 19 H VAL 19 -13.939 -7.140 -13.818 169 HA VAL 19 HA VAL 19 -16.546 -7.377 -12.536 170 HB VAL 19 HB VAL 19 -15.491 -8.952 -14.897 171 HG11 VAL 19 1HG1 VAL 19 -18.290 -8.548 -13.866 172 HG12 VAL 19 2HG1 VAL 19 -17.339 -10.032 -13.770 173 HG13 VAL 19 3HG1 VAL 19 -17.860 -9.415 -15.339 174 HG21 VAL 19 3HG2 VAL 19 -17.201 -6.468 -14.917 175 HG22 VAL 19 1HG2 VAL 19 -16.760 -7.425 -16.335 176 HG23 VAL 19 2HG2 VAL 19 -15.515 -6.566 -15.415 177 H GLY 20 H GLY 20 -16.206 -8.354 -10.652 178 HA2 GLY 20 2HA GLY 20 -16.059 -10.276 -9.346 179 HA3 GLY 20 1HA GLY 20 -15.351 -11.126 -10.715 180 H ASP 21 H ASP 21 -14.695 -9.949 -7.693 181 HA ASP 21 HA ASP 21 -11.977 -10.448 -7.793 182 HB2 ASP 21 2HB ASP 21 -11.952 -8.157 -8.844 183 HB3 ASP 21 1HB ASP 21 -12.801 -7.533 -7.431 184 H ALA 22 H ALA 22 -11.248 -10.246 -5.626 185 HA ALA 22 HA ALA 22 -13.098 -10.978 -3.658 186 HB1 ALA 22 1HB ALA 22 -10.705 -11.534 -3.552 187 HB2 ALA 22 2HB ALA 22 -11.294 -10.792 -2.063 188 HB3 ALA 22 3HB ALA 22 -10.348 -9.840 -3.208 189 H PHE 23 H PHE 23 -11.663 -7.849 -4.355 190 HA PHE 23 HA PHE 23 -12.880 -6.569 -2.122 191 HB2 PHE 23 2HB PHE 23 -11.631 -5.667 -4.630 192 HB3 PHE 23 1HB PHE 23 -12.302 -4.464 -3.505 193 HD1 PHE 23 2HD PHE 23 -11.259 -4.353 -1.191 194 HD2 PHE 23 1HD PHE 23 -9.526 -6.586 -4.365 195 HE1 PHE 23 2HE PHE 23 -9.118 -4.395 0.019 196 HE2 PHE 23 1HE PHE 23 -7.374 -6.630 -3.165 197 HZ PHE 23 HZ PHE 23 -7.171 -5.535 -0.968 198 H ALA 24 H ALA 24 -13.807 -7.196 -5.406 199 HA ALA 24 HA ALA 24 -16.076 -5.500 -5.445 200 HB1 ALA 24 1HB ALA 24 -16.835 -6.840 -7.363 201 HB2 ALA 24 2HB ALA 24 -15.613 -8.056 -6.998 202 HB3 ALA 24 3HB ALA 24 -15.123 -6.442 -7.518 203 H ARG 25 H ARG 25 -15.483 -8.754 -4.338 204 HA ARG 25 HA ARG 25 -18.160 -9.481 -3.775 205 HB2 ARG 25 2HB ARG 25 -15.600 -10.434 -2.481 206 HB3 ARG 25 1HB ARG 25 -17.170 -11.194 -2.305 207 HG2 ARG 25 2HG ARG 25 -15.668 -10.909 -4.890 208 HG3 ARG 25 1HG ARG 25 -15.677 -12.353 -3.884 209 HD2 ARG 25 2HD ARG 25 -18.089 -12.567 -4.203 210 HD3 ARG 25 1HD ARG 25 -18.095 -11.093 -5.181 211 HE ARG 25 HE ARG 25 -16.319 -12.533 -6.479 212 HH11 ARG 25 1HH1 ARG 25 -19.451 -13.614 -5.219 213 HH12 ARG 25 2HH1 ARG 25 -19.700 -14.726 -6.489 214 HH21 ARG 25 1HH2 ARG 25 -16.669 -14.029 -8.154 215 HH22 ARG 25 2HH2 ARG 25 -18.087 -14.973 -8.194 216 H ILE 26 H ILE 26 -15.534 -8.219 -1.705 217 HA ILE 26 HA ILE 26 -17.266 -8.152 0.493 218 HB ILE 26 HB ILE 26 -15.476 -6.809 1.684 219 HG12 ILE 26 2HG1 ILE 26 -13.138 -7.281 0.677 220 HG13 ILE 26 1HG1 ILE 26 -14.012 -7.431 -0.844 221 HG21 ILE 26 1HG2 ILE 26 -14.094 -8.818 2.049 222 HG22 ILE 26 2HG2 ILE 26 -14.887 -9.568 0.666 223 HG23 ILE 26 3HG2 ILE 26 -15.827 -9.135 2.094 224 HD11 ILE 26 3HD1 ILE 26 -13.993 -5.005 0.939 225 HD12 ILE 26 1HD1 ILE 26 -14.800 -5.142 -0.618 226 HD13 ILE 26 2HD1 ILE 26 -13.039 -5.199 -0.533 227 H PHE 27 H PHE 27 -16.571 -5.631 -1.790 228 HA PHE 27 HA PHE 27 -17.942 -3.748 -0.097 229 HB2 PHE 27 2HB PHE 27 -17.112 -3.477 -2.989 230 HB3 PHE 27 1HB PHE 27 -17.893 -2.205 -2.063 231 HD1 PHE 27 1HD PHE 27 -16.557 -2.187 0.469 232 HD2 PHE 27 2HD PHE 27 -14.945 -2.912 -3.391 233 HE1 PHE 27 1HE PHE 27 -14.374 -1.366 1.233 234 HE2 PHE 27 2HE PHE 27 -12.748 -2.104 -2.634 235 HZ PHE 27 HZ PHE 27 -12.460 -1.332 -0.316 236 H GLY 28 H GLY 28 -18.816 -5.952 -2.600 237 HA2 GLY 28 2HA GLY 28 -21.048 -6.774 -2.647 238 HA3 GLY 28 1HA GLY 28 -21.599 -5.199 -2.094 239 H GLY 29 H GLY 29 -19.670 -6.439 -4.809 240 HA2 GLY 29 2HA GLY 29 -20.249 -6.439 -7.066 241 HA3 GLY 29 1HA GLY 29 -21.678 -5.492 -6.662 242 H SER 30 H SER 30 -18.682 -4.383 -5.419 243 HA SER 30 HA SER 30 -18.200 -2.645 -7.648 244 HB2 SER 30 2HB SER 30 -18.978 -1.531 -4.942 245 HB3 SER 30 1HB SER 30 -18.399 -0.583 -6.310 246 HG SER 30 HG SER 30 -20.407 -2.130 -7.122 247 H ILE 31 H ILE 31 -16.163 -1.608 -7.478 248 HA ILE 31 HA ILE 31 -14.516 -1.996 -5.170 249 HB ILE 31 HB ILE 31 -14.095 -4.134 -6.241 250 HG12 ILE 31 2HG1 ILE 31 -11.850 -2.174 -6.791 251 HG13 ILE 31 1HG1 ILE 31 -12.112 -3.098 -5.319 252 HG21 ILE 31 1HG2 ILE 31 -13.569 -2.643 -8.798 253 HG22 ILE 31 2HG2 ILE 31 -14.953 -3.675 -8.440 254 HG23 ILE 31 3HG2 ILE 31 -13.335 -4.372 -8.537 255 HD11 ILE 31 3HD1 ILE 31 -11.680 -5.177 -6.622 256 HD12 ILE 31 1HD1 ILE 31 -10.302 -4.069 -6.588 257 HD13 ILE 31 2HD1 ILE 31 -11.322 -4.164 -8.017 258 H VAL 32 H VAL 32 -13.197 -0.274 -4.990 259 HA VAL 32 HA VAL 32 -12.667 1.244 -7.408 260 HB VAL 32 HB VAL 32 -12.685 3.365 -5.955 261 HG11 VAL 32 1HG1 VAL 32 -15.288 1.903 -6.395 262 HG12 VAL 32 2HG1 VAL 32 -14.436 2.905 -7.575 263 HG13 VAL 32 3HG1 VAL 32 -15.124 3.639 -6.131 264 HG21 VAL 32 3HG2 VAL 32 -14.114 3.313 -3.938 265 HG22 VAL 32 1HG2 VAL 32 -12.687 2.295 -3.744 266 HG23 VAL 32 2HG2 VAL 32 -14.253 1.561 -4.088 267 HA PRO 33 HA PRO 33 -8.641 0.270 -5.586 268 HB2 PRO 33 2HB PRO 33 -7.633 0.013 -8.269 269 HB3 PRO 33 1HB PRO 33 -7.887 -1.269 -7.087 270 HG2 PRO 33 2HG PRO 33 -9.338 -0.984 -9.416 271 HG3 PRO 33 1HG PRO 33 -9.900 -1.856 -7.980 272 HD2 PRO 33 2HD PRO 33 -10.576 0.894 -8.927 273 HD3 PRO 33 1HD PRO 33 -11.603 -0.323 -8.132 274 H GLN 34 H GLN 34 -8.983 2.027 -8.640 275 HA GLN 34 HA GLN 34 -6.638 3.516 -8.416 276 HB2 GLN 34 2HB GLN 34 -9.094 3.983 -10.107 277 HB3 GLN 34 1HB GLN 34 -7.594 4.883 -10.280 278 HG2 GLN 34 2HG GLN 34 -7.740 1.883 -10.530 279 HG3 GLN 34 1HG GLN 34 -7.959 2.973 -11.890 280 HE21 GLN 34 1HE2 GLN 34 -6.145 2.055 -12.890 281 HE22 GLN 34 2HE2 GLN 34 -4.535 2.455 -12.393 282 H GLU 35 H GLU 35 -9.784 4.042 -7.158 283 HA GLU 35 HA GLU 35 -9.804 6.791 -6.689 284 HB2 GLU 35 2HB GLU 35 -11.746 5.304 -6.329 285 HB3 GLU 35 1HB GLU 35 -10.924 4.566 -4.967 286 HG2 GLU 35 2HG GLU 35 -12.607 6.100 -4.191 287 HG3 GLU 35 1HG GLU 35 -11.009 6.704 -3.773 288 H VAL 36 H VAL 36 -8.756 4.154 -4.582 289 HA VAL 36 HA VAL 36 -7.692 5.873 -2.581 290 HB VAL 36 HB VAL 36 -7.138 2.918 -3.000 291 HG11 VAL 36 1HG1 VAL 36 -5.569 3.951 -1.467 292 HG12 VAL 36 2HG1 VAL 36 -6.665 2.886 -0.586 293 HG13 VAL 36 3HG1 VAL 36 -6.898 4.635 -0.530 294 HG21 VAL 36 3HG2 VAL 36 -9.541 3.292 -2.848 295 HG22 VAL 36 1HG2 VAL 36 -9.317 4.238 -1.377 296 HG23 VAL 36 2HG2 VAL 36 -8.953 2.513 -1.380 297 H GLU 37 H GLU 37 -6.356 3.941 -5.217 298 HA GLU 37 HA GLU 37 -3.647 4.310 -4.707 299 HB2 GLU 37 2HB GLU 37 -5.020 3.993 -7.368 300 HB3 GLU 37 1HB GLU 37 -3.296 3.826 -7.101 301 HG2 GLU 37 2HG GLU 37 -3.752 1.981 -5.537 302 HG3 GLU 37 1HG GLU 37 -5.461 2.110 -5.930 303 H ALA 38 H ALA 38 -5.698 6.252 -6.890 304 HA ALA 38 HA ALA 38 -3.692 8.069 -7.611 305 HB1 ALA 38 1HB ALA 38 -5.765 7.824 -8.854 306 HB2 ALA 38 2HB ALA 38 -5.502 9.505 -8.378 307 HB3 ALA 38 3HB ALA 38 -6.665 8.507 -7.502 308 H LEU 39 H LEU 39 -5.953 8.055 -4.923 309 HA LEU 39 HA LEU 39 -5.501 10.678 -4.041 310 HB2 LEU 39 2HB LEU 39 -7.365 9.088 -3.355 311 HB3 LEU 39 1HB LEU 39 -6.211 8.268 -2.343 312 HG LEU 39 HG LEU 39 -7.743 9.740 -1.083 313 HD11 LEU 39 1HD1 LEU 39 -5.569 9.270 -0.148 314 HD12 LEU 39 2HD1 LEU 39 -6.137 10.879 0.304 315 HD13 LEU 39 3HD1 LEU 39 -4.903 10.693 -0.947 316 HD21 LEU 39 3HD2 LEU 39 -8.094 11.461 -2.750 317 HD22 LEU 39 1HD2 LEU 39 -6.419 11.990 -2.584 318 HD23 LEU 39 2HD2 LEU 39 -7.538 12.171 -1.234 319 H LEU 40 H LEU 40 -3.928 7.598 -3.193 320 HA LEU 40 HA LEU 40 -2.087 8.931 -1.487 321 HB2 LEU 40 2HB LEU 40 -2.287 6.086 -2.367 322 HB3 LEU 40 1HB LEU 40 -0.797 6.645 -1.646 323 HG LEU 40 HG LEU 40 -2.113 7.360 0.366 324 HD11 LEU 40 1HD1 LEU 40 -4.305 7.568 -0.627 325 HD12 LEU 40 2HD1 LEU 40 -4.327 6.439 0.731 326 HD13 LEU 40 3HD1 LEU 40 -4.350 5.832 -0.927 327 HD21 LEU 40 3HD2 LEU 40 -2.317 4.439 -0.311 328 HD22 LEU 40 1HD2 LEU 40 -2.305 5.152 1.294 329 HD23 LEU 40 2HD2 LEU 40 -0.862 5.250 0.283 330 H ARG 41 H ARG 41 -1.973 8.080 -4.856 331 HA ARG 41 HA ARG 41 0.806 8.573 -5.241 332 HB2 ARG 41 2HB ARG 41 -1.456 9.125 -7.220 333 HB3 ARG 41 1HB ARG 41 0.250 9.018 -7.631 334 HG2 ARG 41 2HG ARG 41 0.295 6.694 -7.053 335 HG3 ARG 41 1HG ARG 41 -1.377 6.800 -6.487 336 HD2 ARG 41 2HD ARG 41 -2.078 7.403 -8.788 337 HD3 ARG 41 1HD ARG 41 -0.415 7.188 -9.326 338 HE ARG 41 HE ARG 41 -0.708 4.831 -8.405 339 HH11 ARG 41 1HH1 ARG 41 -3.399 6.647 -9.950 340 HH12 ARG 41 2HH1 ARG 41 -4.233 5.246 -10.337 341 HH21 ARG 41 1HH2 ARG 41 -1.875 2.945 -9.061 342 HH22 ARG 41 2HH2 ARG 41 -3.399 3.122 -9.816 343 H ARG 42 H ARG 42 -2.022 10.623 -5.276 344 HA ARG 42 HA ARG 42 -0.734 13.086 -5.686 345 HB2 ARG 42 2HB ARG 42 -3.111 13.033 -5.932 346 HB3 ARG 42 1HB ARG 42 -3.332 12.410 -4.304 347 HG2 ARG 42 2HG ARG 42 -3.947 14.754 -4.430 348 HG3 ARG 42 1HG ARG 42 -2.552 14.537 -3.374 349 HD2 ARG 42 2HD ARG 42 -1.158 15.098 -5.451 350 HD3 ARG 42 1HD ARG 42 -2.658 15.695 -6.152 351 HE ARG 42 HE ARG 42 -1.575 16.671 -3.607 352 HH11 ARG 42 1HH1 ARG 42 -3.279 17.388 -6.609 353 HH12 ARG 42 2HH1 ARG 42 -3.008 19.072 -6.488 354 HH21 ARG 42 1HH2 ARG 42 -1.226 18.970 -3.475 355 HH22 ARG 42 2HH2 ARG 42 -1.852 19.973 -4.721 356 H GLU 43 H GLU 43 -1.583 11.403 -2.691 357 HA GLU 43 HA GLU 43 -0.755 13.356 -0.873 358 HB2 GLU 43 2HB GLU 43 -2.161 11.387 -0.330 359 HB3 GLU 43 1HB GLU 43 -0.760 10.353 -0.533 360 HG2 GLU 43 2HG GLU 43 -1.209 10.712 1.805 361 HG3 GLU 43 1HG GLU 43 0.323 11.451 1.357 362 H ALA 44 H ALA 44 1.000 10.660 -2.302 363 HA ALA 44 HA ALA 44 3.433 10.941 -0.983 364 HB1 ALA 44 1HB ALA 44 2.902 10.026 -3.793 365 HB2 ALA 44 2HB ALA 44 2.817 9.018 -2.346 366 HB3 ALA 44 3HB ALA 44 4.370 9.697 -2.863 367 H ALA 45 H ALA 45 2.312 12.342 -4.037 368 HA ALA 45 HA ALA 45 4.741 13.725 -4.586 369 HB1 ALA 45 1HB ALA 45 3.527 14.739 -6.432 370 HB2 ALA 45 2HB ALA 45 2.000 14.163 -5.762 371 HB3 ALA 45 3HB ALA 45 3.192 13.008 -6.352 372 H ASP 46 H ASP 46 1.835 14.534 -2.875 373 HA ASP 46 HA ASP 46 2.357 17.364 -2.917 374 HB2 ASP 46 2HB ASP 46 0.049 16.419 -2.772 375 HB3 ASP 46 1HB ASP 46 0.425 15.873 -1.141 376 H GLY 47 H GLY 47 2.870 14.682 -0.706 377 HA2 GLY 47 2HA GLY 47 3.728 16.428 1.439 378 HA3 GLY 47 1HA GLY 47 3.649 14.675 1.474 379 H ILE 48 H ILE 48 5.268 16.068 -1.189 380 HA ILE 48 HA ILE 48 7.764 14.907 -0.556 381 HB ILE 48 HB ILE 48 6.849 16.845 -2.676 382 HG12 ILE 48 2HG1 ILE 48 6.044 14.567 -2.932 383 HG13 ILE 48 1HG1 ILE 48 7.188 14.969 -4.207 384 HG21 ILE 48 1HG2 ILE 48 9.147 17.373 -2.247 385 HG22 ILE 48 2HG2 ILE 48 8.973 16.576 -3.817 386 HG23 ILE 48 3HG2 ILE 48 9.587 15.672 -2.421 387 HD11 ILE 48 3HD1 ILE 48 7.562 12.727 -3.425 388 HD12 ILE 48 1HD1 ILE 48 7.743 13.295 -1.765 389 HD13 ILE 48 2HD1 ILE 48 8.930 13.746 -2.985 390 H GLN 49 H GLN 49 9.503 15.752 0.403 391 HA GLN 49 HA GLN 49 9.334 18.551 1.260 392 HB2 GLN 49 2HB GLN 49 10.987 16.315 2.407 393 HB3 GLN 49 1HB GLN 49 10.999 17.982 2.957 394 HG2 GLN 49 2HG GLN 49 8.730 17.861 3.483 395 HG3 GLN 49 1HG GLN 49 8.625 16.162 2.985 396 HE21 GLN 49 1HE2 GLN 49 8.001 17.109 5.531 397 HE22 GLN 49 2HE2 GLN 49 9.125 16.439 6.670 398 H SER 50 H SER 50 11.076 19.786 1.065 399 HA SER 50 HA SER 50 12.681 19.030 -1.229 400 HB2 SER 50 2HB SER 50 11.568 21.331 -1.060 401 HB3 SER 50 1HB SER 50 12.777 21.718 0.166 402 HG SER 50 HG SER 50 13.044 21.366 -2.589 403 H LEU 51 H LEU 51 13.996 17.600 -0.489 404 HA LEU 51 HA LEU 51 15.748 18.151 1.781 405 HB2 LEU 51 2HB LEU 51 14.378 15.995 1.555 406 HB3 LEU 51 1HB LEU 51 15.382 15.587 0.185 407 HG LEU 51 HG LEU 51 17.355 15.402 1.692 408 HD11 LEU 51 1HD1 LEU 51 16.700 17.046 3.376 409 HD12 LEU 51 2HD1 LEU 51 17.039 15.471 4.106 410 HD13 LEU 51 3HD1 LEU 51 15.377 15.991 3.879 411 HD21 LEU 51 3HD2 LEU 51 15.910 13.456 1.250 412 HD22 LEU 51 1HD2 LEU 51 14.992 13.848 2.703 413 HD23 LEU 51 2HD2 LEU 51 16.690 13.400 2.831 414 H GLN 52 H GLN 52 17.948 16.675 0.970 415 HA GLN 52 HA GLN 52 19.620 18.227 -0.455 416 HB2 GLN 52 2HB GLN 52 19.561 15.215 -0.511 417 HB3 GLN 52 1HB GLN 52 20.951 16.221 -0.871 418 HG2 GLN 52 2HG GLN 52 20.963 17.028 1.427 419 HG3 GLN 52 1HG GLN 52 19.560 16.027 1.792 420 HE21 GLN 52 1HE2 GLN 52 22.932 16.073 1.148 421 HE22 GLN 52 2HE2 GLN 52 23.256 14.441 1.603 422 H GLY 53 H GLY 53 20.384 18.291 -2.588 423 HA2 GLY 53 2HA GLY 53 18.392 18.349 -4.572 424 HA3 GLY 53 1HA GLY 53 20.114 18.570 -4.834 425 H ASN 54 H ASN 54 20.365 15.813 -3.494 426 HA ASN 54 HA ASN 54 20.676 14.271 -5.804 427 HB2 ASN 54 2HB ASN 54 20.309 13.369 -2.940 428 HB3 ASN 54 1HB ASN 54 20.752 12.297 -4.252 429 HD21 ASN 54 1HD2 ASN 54 22.632 14.137 -5.527 430 HD22 ASN 54 2HD2 ASN 54 23.967 14.219 -4.448 431 H ARG 55 H ARG 55 18.094 14.334 -3.347 432 HA ARG 55 HA ARG 55 16.094 13.627 -5.121 433 HB2 ARG 55 2HB ARG 55 15.525 11.369 -4.118 434 HB3 ARG 55 1HB ARG 55 16.907 11.418 -5.197 435 HG2 ARG 55 2HG ARG 55 18.373 11.511 -3.223 436 HG3 ARG 55 1HG ARG 55 16.958 11.275 -2.192 437 HD2 ARG 55 2HD ARG 55 16.452 9.194 -3.465 438 HD3 ARG 55 1HD ARG 55 17.941 9.420 -4.350 439 HE ARG 55 HE ARG 55 18.782 9.394 -1.772 440 HH11 ARG 55 1HH1 ARG 55 16.731 7.225 -3.638 441 HH12 ARG 55 2HH1 ARG 55 17.216 5.819 -2.834 442 HH21 ARG 55 1HH2 ARG 55 19.496 7.484 -0.668 443 HH22 ARG 55 2HH2 ARG 55 18.858 5.952 -1.100 444 H LEU 56 H LEU 56 14.040 13.559 -4.178 445 HA LEU 56 HA LEU 56 13.861 15.295 -1.818 446 HB2 LEU 56 2HB LEU 56 11.768 14.451 -3.811 447 HB3 LEU 56 1HB LEU 56 11.633 15.715 -2.604 448 HG LEU 56 HG LEU 56 13.513 15.777 -4.961 449 HD11 LEU 56 1HD1 LEU 56 11.195 15.955 -5.671 450 HD12 LEU 56 2HD1 LEU 56 12.032 17.495 -5.858 451 HD13 LEU 56 3HD1 LEU 56 10.927 17.254 -4.508 452 HD21 LEU 56 3HD2 LEU 56 12.825 17.897 -2.929 453 HD22 LEU 56 1HD2 LEU 56 13.855 18.124 -4.341 454 HD23 LEU 56 2HD2 LEU 56 14.364 17.041 -3.047 455 H LEU 57 H LEU 57 12.378 14.930 -0.175 456 HA LEU 57 HA LEU 57 12.321 12.111 0.535 457 HB2 LEU 57 2HB LEU 57 13.158 14.036 2.078 458 HB3 LEU 57 1HB LEU 57 11.468 14.403 2.297 459 HG LEU 57 HG LEU 57 11.059 12.210 3.290 460 HD11 LEU 57 1HD1 LEU 57 12.923 10.736 3.821 461 HD12 LEU 57 2HD1 LEU 57 14.026 11.794 2.947 462 HD13 LEU 57 3HD1 LEU 57 12.760 10.937 2.073 463 HD21 LEU 57 3HD2 LEU 57 11.696 14.065 4.734 464 HD22 LEU 57 1HD2 LEU 57 13.401 13.674 4.504 465 HD23 LEU 57 2HD2 LEU 57 12.346 12.542 5.346 466 H ALA 58 H ALA 58 10.533 10.958 0.489 467 HA ALA 58 HA ALA 58 7.957 12.299 0.088 468 HB1 ALA 58 1HB ALA 58 8.905 9.561 -0.795 469 HB2 ALA 58 2HB ALA 58 8.693 10.967 -1.838 470 HB3 ALA 58 3HB ALA 58 7.292 10.222 -1.071 471 HA PRO 59 HA PRO 59 6.472 10.347 3.856 472 HB2 PRO 59 2HB PRO 59 4.048 9.526 2.376 473 HB3 PRO 59 1HB PRO 59 4.191 10.554 3.806 474 HG2 PRO 59 2HG PRO 59 3.573 11.599 1.434 475 HG3 PRO 59 1HG PRO 59 4.645 12.456 2.553 476 HD2 PRO 59 2HD PRO 59 5.345 10.847 0.125 477 HD3 PRO 59 1HD PRO 59 6.003 12.403 0.688 478 H ASN 60 H ASN 60 6.347 8.347 4.796 479 HA ASN 60 HA ASN 60 6.565 6.075 2.958 480 HB2 ASN 60 2HB ASN 60 8.104 4.975 4.500 481 HB3 ASN 60 1HB ASN 60 8.755 6.519 3.978 482 HD21 ASN 60 1HD2 ASN 60 9.622 5.126 6.253 483 HD22 ASN 60 2HD2 ASN 60 9.266 6.068 7.637 484 H GLU 61 H GLU 61 5.163 7.352 5.889 485 HA GLU 61 HA GLU 61 3.776 4.819 6.136 486 HB2 GLU 61 2HB GLU 61 3.494 5.215 8.476 487 HB3 GLU 61 1HB GLU 61 5.123 5.766 8.124 488 HG2 GLU 61 2HG GLU 61 4.494 8.031 8.247 489 HG3 GLU 61 1HG GLU 61 2.782 7.604 8.367 490 H TYR 62 H TYR 62 1.735 4.763 5.574 491 HA TYR 62 HA TYR 62 0.335 7.326 5.235 492 HB2 TYR 62 2HB TYR 62 0.142 4.881 3.476 493 HB3 TYR 62 1HB TYR 62 -0.912 6.271 3.350 494 HD1 TYR 62 2HD TYR 62 2.675 5.295 3.115 495 HD2 TYR 62 1HD TYR 62 -0.323 8.100 2.013 496 HE1 TYR 62 2HE TYR 62 4.271 6.398 1.620 497 HE2 TYR 62 1HE TYR 62 1.271 9.213 0.506 498 HH TYR 62 HH TYR 62 4.380 7.850 -0.194 499 H ILE 63 H ILE 63 -1.479 7.499 6.213 500 HA ILE 63 HA ILE 63 -2.667 5.078 7.371 501 HB ILE 63 HB ILE 63 -2.651 7.876 8.559 502 HG12 ILE 63 2HG1 ILE 63 -1.169 5.376 9.420 503 HG13 ILE 63 1HG1 ILE 63 -0.433 6.770 8.648 504 HG21 ILE 63 1HG2 ILE 63 -4.675 6.611 9.110 505 HG22 ILE 63 2HG2 ILE 63 -3.643 6.789 10.530 506 HG23 ILE 63 3HG2 ILE 63 -3.688 5.257 9.662 507 HD11 ILE 63 3HD1 ILE 63 -1.752 6.728 11.349 508 HD12 ILE 63 1HD1 ILE 63 -1.019 8.139 10.588 509 HD13 ILE 63 2HD1 ILE 63 -0.014 6.759 11.033 510 H ILE 64 H ILE 64 -4.584 4.648 6.567 511 HA ILE 64 HA ILE 64 -6.154 6.838 5.396 512 HB ILE 64 HB ILE 64 -6.390 3.883 4.727 513 HG12 ILE 64 2HG1 ILE 64 -5.510 4.659 2.398 514 HG13 ILE 64 1HG1 ILE 64 -4.895 6.063 3.260 515 HG21 ILE 64 1HG2 ILE 64 -7.629 6.300 3.426 516 HG22 ILE 64 2HG2 ILE 64 -8.436 5.106 4.434 517 HG23 ILE 64 3HG2 ILE 64 -7.792 4.635 2.857 518 HD11 ILE 64 3HD1 ILE 64 -4.139 3.198 3.797 519 HD12 ILE 64 1HD1 ILE 64 -3.504 4.611 4.634 520 HD13 ILE 64 2HD1 ILE 64 -3.166 4.379 2.921 521 H THR 65 H THR 65 -7.975 7.290 6.405 522 HA THR 65 HA THR 65 -8.956 5.440 8.444 523 HB THR 65 HB THR 65 -9.618 8.361 8.071 524 HG1 THR 65 1HG THR 65 -7.868 7.427 10.097 525 HG21 THR 65 3HG2 THR 65 -11.233 7.075 9.397 526 HG22 THR 65 1HG2 THR 65 -10.355 8.207 10.415 527 HG23 THR 65 2HG2 THR 65 -9.942 6.498 10.439 528 H LEU 66 H LEU 66 -10.752 4.357 7.977 529 HA LEU 66 HA LEU 66 -12.749 5.487 6.124 530 HB2 LEU 66 2HB LEU 66 -11.942 2.650 6.683 531 HB3 LEU 66 1HB LEU 66 -13.573 2.987 6.167 532 HG LEU 66 HG LEU 66 -12.254 2.265 4.279 533 HD11 LEU 66 1HD1 LEU 66 -12.598 4.054 2.750 534 HD12 LEU 66 2HD1 LEU 66 -12.880 5.152 4.103 535 HD13 LEU 66 3HD1 LEU 66 -13.970 3.792 3.826 536 HD21 LEU 66 3HD2 LEU 66 -10.039 2.899 5.071 537 HD22 LEU 66 1HD2 LEU 66 -10.456 4.599 4.851 538 HD23 LEU 66 2HD2 LEU 66 -10.354 3.527 3.451 539 H GLY 67 H GLY 67 -15.006 4.854 6.636 540 HA2 GLY 67 2HA GLY 67 -15.595 5.298 9.406 541 HA3 GLY 67 1HA GLY 67 -16.761 4.999 8.111 542 H VAL 68 H VAL 68 -16.474 3.795 10.825 543 HA VAL 68 HA VAL 68 -15.378 1.284 10.810 544 HB VAL 68 HB VAL 68 -16.091 2.290 12.830 545 HG11 VAL 68 1HG1 VAL 68 -18.940 1.929 11.907 546 HG12 VAL 68 2HG1 VAL 68 -18.087 3.460 12.112 547 HG13 VAL 68 3HG1 VAL 68 -18.464 2.462 13.519 548 HG21 VAL 68 3HG2 VAL 68 -17.593 -0.286 12.372 549 HG22 VAL 68 1HG2 VAL 68 -17.252 0.403 13.958 550 HG23 VAL 68 2HG2 VAL 68 -15.927 -0.119 12.918 551 H HIS 69 H HIS 69 -18.628 2.070 9.698 552 HA HIS 69 HA HIS 69 -19.497 -0.577 9.296 553 HB2 HIS 69 2HB HIS 69 -21.062 1.286 9.425 554 HB3 HIS 69 1HB HIS 69 -20.384 1.996 7.967 555 HD1 HIS 69 1HD HIS 69 -22.874 -0.533 9.128 556 HD2 HIS 69 2HD HIS 69 -21.082 0.647 5.569 557 HE1 HIS 69 1HE HIS 69 -24.262 -1.518 7.279 558 H ASP 70 H ASP 70 -17.672 1.617 7.209 559 HA ASP 70 HA ASP 70 -17.925 -0.268 5.027 560 HB2 ASP 70 2HB ASP 70 -17.888 2.315 4.757 561 HB3 ASP 70 1HB ASP 70 -16.150 2.147 4.946 562 H PHE 71 H PHE 71 -15.700 0.545 7.567 563 HA PHE 71 HA PHE 71 -13.408 -0.652 6.509 564 HB2 PHE 71 2HB PHE 71 -13.503 0.830 8.507 565 HB3 PHE 71 1HB PHE 71 -14.265 -0.475 9.412 566 HD1 PHE 71 2HD PHE 71 -11.221 0.754 7.906 567 HD2 PHE 71 1HD PHE 71 -12.982 -2.389 10.107 568 HE1 PHE 71 2HE PHE 71 -8.953 -0.094 8.483 569 HE2 PHE 71 1HE PHE 71 -10.743 -3.263 10.703 570 HZ PHE 71 HZ PHE 71 -8.729 -2.109 9.884 571 H GLU 72 H GLU 72 -16.272 -1.907 8.095 572 HA GLU 72 HA GLU 72 -15.556 -4.527 8.629 573 HB2 GLU 72 2HB GLU 72 -18.147 -3.517 7.493 574 HB3 GLU 72 1HB GLU 72 -17.888 -5.090 8.213 575 HG2 GLU 72 2HG GLU 72 -17.432 -4.013 10.365 576 HG3 GLU 72 1HG GLU 72 -17.703 -2.433 9.614 577 H LYS 73 H LYS 73 -16.317 -2.929 5.632 578 HA LYS 73 HA LYS 73 -16.659 -5.323 4.102 579 HB2 LYS 73 2HB LYS 73 -16.134 -2.521 3.086 580 HB3 LYS 73 1HB LYS 73 -16.858 -3.853 2.196 581 HG2 LYS 73 2HG LYS 73 -18.089 -2.450 4.567 582 HG3 LYS 73 1HG LYS 73 -18.508 -2.176 2.877 583 HD2 LYS 73 2HD LYS 73 -19.310 -4.466 2.691 584 HD3 LYS 73 1HD LYS 73 -18.807 -4.800 4.347 585 HE2 LYS 73 2HE LYS 73 -20.863 -2.734 3.560 586 HE3 LYS 73 1HE LYS 73 -21.243 -4.355 4.123 587 HZ1 LYS 73 3HZ LYS 73 -20.244 -3.869 6.223 588 HZ2 LYS 73 1HZ LYS 73 -21.398 -2.718 5.906 589 HZ3 LYS 73 2HZ LYS 73 -19.763 -2.324 5.775 590 H LEU 74 H LEU 74 -14.152 -2.962 4.712 591 HA LEU 74 HA LEU 74 -12.169 -3.970 2.942 592 HB2 LEU 74 2HB LEU 74 -11.789 -2.635 5.629 593 HB3 LEU 74 1HB LEU 74 -10.524 -2.905 4.457 594 HG LEU 74 HG LEU 74 -12.878 -1.045 4.146 595 HD11 LEU 74 1HD1 LEU 74 -9.938 -0.580 4.573 596 HD12 LEU 74 2HD1 LEU 74 -11.240 -0.218 5.711 597 HD13 LEU 74 3HD1 LEU 74 -11.110 0.671 4.192 598 HD21 LEU 74 3HD2 LEU 74 -10.547 -1.579 2.292 599 HD22 LEU 74 1HD2 LEU 74 -11.764 -0.320 2.085 600 HD23 LEU 74 2HD2 LEU 74 -12.229 -2.019 1.992 601 H GLY 75 H GLY 75 -13.100 -4.715 6.202 602 HA2 GLY 75 2HA GLY 75 -13.068 -7.073 6.805 603 HA3 GLY 75 1HA GLY 75 -11.474 -7.139 6.052 604 H ALA 76 H ALA 76 -11.101 -8.023 8.275 605 HA ALA 76 HA ALA 76 -10.824 -5.960 10.310 606 HB1 ALA 76 1HB ALA 76 -10.292 -7.799 11.820 607 HB2 ALA 76 2HB ALA 76 -10.322 -8.928 10.463 608 HB3 ALA 76 3HB ALA 76 -11.798 -8.107 10.956 609 H ASP 77 H ASP 77 -9.092 -7.204 7.827 610 HA ASP 77 HA ASP 77 -6.478 -7.055 9.079 611 HB2 ASP 77 2HB ASP 77 -6.516 -8.790 7.525 612 HB3 ASP 77 1HB ASP 77 -7.369 -7.820 6.321 613 HA PRO 78 HA PRO 78 -6.093 -2.812 7.699 614 HB2 PRO 78 2HB PRO 78 -3.854 -2.628 9.514 615 HB3 PRO 78 1HB PRO 78 -5.415 -1.817 9.613 616 HG2 PRO 78 2HG PRO 78 -4.588 -3.775 11.350 617 HG3 PRO 78 1HG PRO 78 -6.285 -3.395 11.017 618 HD2 PRO 78 2HD PRO 78 -4.604 -5.626 9.956 619 HD3 PRO 78 1HD PRO 78 -6.319 -5.600 10.421 620 H GLU 79 H GLU 79 -3.302 -4.985 8.373 621 HA GLU 79 HA GLU 79 -1.671 -3.400 6.598 622 HB2 GLU 79 2HB GLU 79 -0.865 -5.606 8.428 623 HB3 GLU 79 1HB GLU 79 0.227 -4.719 7.386 624 HG2 GLU 79 2HG GLU 79 -0.302 -2.664 8.480 625 HG3 GLU 79 1HG GLU 79 -1.490 -3.471 9.512 626 H LEU 80 H LEU 80 -2.907 -6.742 6.398 627 HA LEU 80 HA LEU 80 -0.814 -7.654 4.755 628 HB2 LEU 80 2HB LEU 80 -2.247 -9.198 5.980 629 HB3 LEU 80 1HB LEU 80 -3.618 -8.731 5.004 630 HG LEU 80 HG LEU 80 -2.534 -9.725 3.022 631 HD11 LEU 80 1HD1 LEU 80 -0.208 -9.450 3.670 632 HD12 LEU 80 2HD1 LEU 80 -0.557 -11.138 3.309 633 HD13 LEU 80 3HD1 LEU 80 -0.422 -10.604 4.983 634 HD21 LEU 80 3HD2 LEU 80 -2.801 -12.059 3.697 635 HD22 LEU 80 1HD2 LEU 80 -4.087 -11.049 4.356 636 HD23 LEU 80 2HD2 LEU 80 -2.757 -11.579 5.390 637 H LYS 81 H LYS 81 -4.050 -6.646 3.819 638 HA LYS 81 HA LYS 81 -3.593 -6.841 1.017 639 HB2 LYS 81 2HB LYS 81 -5.536 -5.375 0.773 640 HB3 LYS 81 1HB LYS 81 -5.810 -6.721 1.869 641 HG2 LYS 81 2HG LYS 81 -5.524 -5.236 3.775 642 HG3 LYS 81 1HG LYS 81 -5.223 -3.886 2.679 643 HD2 LYS 81 2HD LYS 81 -7.522 -3.754 3.282 644 HD3 LYS 81 1HD LYS 81 -7.328 -4.393 1.628 645 HE2 LYS 81 2HE LYS 81 -9.074 -5.598 2.967 646 HE3 LYS 81 1HE LYS 81 -7.811 -6.614 2.294 647 HZ1 LYS 81 3HZ LYS 81 -8.327 -7.197 4.571 648 HZ2 LYS 81 1HZ LYS 81 -7.916 -5.658 5.130 649 HZ3 LYS 81 2HZ LYS 81 -6.738 -6.656 4.490 650 H SER 82 H SER 82 -2.929 -4.407 3.327 651 HA SER 82 HA SER 82 -2.364 -2.303 1.541 652 HB2 SER 82 2HB SER 82 -1.720 -2.725 4.431 653 HB3 SER 82 1HB SER 82 -1.637 -1.183 3.579 654 HG SER 82 HG SER 82 -3.708 -2.217 4.756 655 H THR 83 H THR 83 -0.570 -5.031 2.644 656 HA THR 83 HA THR 83 2.001 -3.872 2.517 657 HB THR 83 HB THR 83 1.199 -6.785 2.204 658 HG1 THR 83 1HG THR 83 0.621 -5.391 4.204 659 HG21 THR 83 3HG2 THR 83 3.531 -6.322 1.554 660 HG22 THR 83 1HG2 THR 83 3.461 -7.250 3.054 661 HG23 THR 83 2HG2 THR 83 3.796 -5.516 3.102 662 H GLY 84 H GLY 84 -0.028 -5.652 0.205 663 HA2 GLY 84 2HA GLY 84 1.849 -5.547 -1.934 664 HA3 GLY 84 1HA GLY 84 0.128 -5.895 -2.071 665 H PHE 85 H PHE 85 -0.804 -3.531 -0.856 666 HA PHE 85 HA PHE 85 -0.885 -1.747 -3.050 667 HB2 PHE 85 2HB PHE 85 -2.564 -2.044 -1.126 668 HB3 PHE 85 1HB PHE 85 -1.484 -1.018 -0.192 669 HD1 PHE 85 2HD PHE 85 -1.096 1.339 -0.919 670 HD2 PHE 85 1HD PHE 85 -4.008 -1.165 -2.739 671 HE1 PHE 85 2HE PHE 85 -2.188 3.312 -1.889 672 HE2 PHE 85 1HE PHE 85 -5.098 0.803 -3.713 673 HZ PHE 85 HZ PHE 85 -4.201 3.043 -3.273 674 H ALA 86 H ALA 86 0.847 -1.600 0.059 675 HA ALA 86 HA ALA 86 2.107 0.874 -0.348 676 HB1 ALA 86 1HB ALA 86 1.876 -0.166 1.853 677 HB2 ALA 86 2HB ALA 86 3.562 0.224 1.497 678 HB3 ALA 86 3HB ALA 86 2.988 -1.437 1.361 679 H ARG 87 H ARG 87 3.010 -2.400 -1.189 680 HA ARG 87 HA ARG 87 5.672 -2.028 -1.960 681 HB2 ARG 87 2HB ARG 87 4.638 -4.242 -1.786 682 HB3 ARG 87 1HB ARG 87 3.555 -3.856 -3.108 683 HG2 ARG 87 2HG ARG 87 5.307 -5.313 -3.891 684 HG3 ARG 87 1HG ARG 87 5.496 -3.726 -4.626 685 HD2 ARG 87 2HD ARG 87 7.235 -3.160 -3.050 686 HD3 ARG 87 1HD ARG 87 7.001 -4.689 -2.203 687 HE ARG 87 HE ARG 87 7.622 -4.936 -4.991 688 HH11 ARG 87 1HH1 ARG 87 9.010 -4.544 -1.779 689 HH12 ARG 87 2HH1 ARG 87 10.459 -5.369 -2.106 690 HH21 ARG 87 1HH2 ARG 87 9.633 -6.073 -5.499 691 HH22 ARG 87 2HH2 ARG 87 10.813 -6.255 -4.287 692 H ASP 88 H ASP 88 2.677 -1.677 -3.733 693 HA ASP 88 HA ASP 88 3.775 -1.035 -6.251 694 HB2 ASP 88 2HB ASP 88 1.468 -1.849 -5.857 695 HB3 ASP 88 1HB ASP 88 1.089 -0.326 -5.075 696 H LEU 89 H LEU 89 2.594 0.917 -3.572 697 HA LEU 89 HA LEU 89 2.972 3.450 -4.776 698 HB2 LEU 89 2HB LEU 89 1.558 2.817 -2.721 699 HB3 LEU 89 1HB LEU 89 3.043 2.865 -1.809 700 HG LEU 89 HG LEU 89 1.634 4.876 -1.506 701 HD11 LEU 89 1HD1 LEU 89 3.316 6.601 -1.841 702 HD12 LEU 89 2HD1 LEU 89 4.258 5.481 -2.828 703 HD13 LEU 89 3HD1 LEU 89 3.992 5.142 -1.119 704 HD21 LEU 89 3HD2 LEU 89 1.391 6.514 -3.297 705 HD22 LEU 89 1HD2 LEU 89 0.623 4.983 -3.708 706 HD23 LEU 89 2HD2 LEU 89 2.180 5.414 -4.422 707 H ALA 90 H ALA 90 5.067 1.426 -2.753 708 HA ALA 90 HA ALA 90 7.226 3.194 -2.421 709 HB1 ALA 90 1HB ALA 90 8.561 1.209 -1.933 710 HB2 ALA 90 2HB ALA 90 7.301 0.180 -2.618 711 HB3 ALA 90 3HB ALA 90 6.984 1.098 -1.148 712 H ASP 91 H ASP 91 6.422 0.947 -4.933 713 HA ASP 91 HA ASP 91 8.837 1.198 -6.405 714 HB2 ASP 91 2HB ASP 91 7.327 -0.733 -6.683 715 HB3 ASP 91 1HB ASP 91 6.100 0.326 -7.367 716 H TYR 92 H TYR 92 5.690 2.751 -6.619 717 HA TYR 92 HA TYR 92 6.077 4.431 -8.797 718 HB2 TYR 92 2HB TYR 92 4.357 4.512 -6.403 719 HB3 TYR 92 1HB TYR 92 4.625 6.050 -7.203 720 HD1 TYR 92 2HD TYR 92 3.218 2.670 -7.598 721 HD2 TYR 92 1HD TYR 92 3.610 6.536 -9.272 722 HE1 TYR 92 2HE TYR 92 1.408 2.153 -9.180 723 HE2 TYR 92 1HE TYR 92 1.784 6.062 -10.850 724 HH TYR 92 HH TYR 92 0.776 3.970 -11.881 725 H ILE 93 H ILE 93 6.746 5.181 -5.368 726 HA ILE 93 HA ILE 93 7.705 7.761 -5.973 727 HB ILE 93 HB ILE 93 8.653 7.888 -3.707 728 HG12 ILE 93 2HG1 ILE 93 7.781 5.003 -3.380 729 HG13 ILE 93 1HG1 ILE 93 9.445 5.512 -3.591 730 HG21 ILE 93 1HG2 ILE 93 5.912 6.643 -3.793 731 HG22 ILE 93 2HG2 ILE 93 6.286 8.346 -4.025 732 HG23 ILE 93 3HG2 ILE 93 6.565 7.589 -2.455 733 HD11 ILE 93 3HD1 ILE 93 8.943 5.077 -1.254 734 HD12 ILE 93 1HD1 ILE 93 7.662 6.286 -1.296 735 HD13 ILE 93 2HD1 ILE 93 9.340 6.777 -1.511 736 H GLN 94 H GLN 94 9.381 4.692 -5.769 737 HA GLN 94 HA GLN 94 11.973 5.798 -5.995 738 HB2 GLN 94 2HB GLN 94 10.911 3.084 -6.693 739 HB3 GLN 94 1HB GLN 94 12.605 3.520 -6.864 740 HG2 GLN 94 2HG GLN 94 12.631 4.037 -4.420 741 HG3 GLN 94 1HG GLN 94 10.975 3.442 -4.325 742 HE21 GLN 94 1HE2 GLN 94 11.529 1.769 -2.926 743 HE22 GLN 94 2HE2 GLN 94 12.419 0.400 -3.439 744 H GLU 95 H GLU 95 9.545 4.776 -8.417 745 HA GLU 95 HA GLU 95 11.130 4.989 -10.624 746 HB2 GLU 95 2HB GLU 95 8.524 4.303 -10.149 747 HB3 GLU 95 1HB GLU 95 8.331 5.887 -10.851 748 HG2 GLU 95 2HG GLU 95 9.933 5.122 -12.648 749 HG3 GLU 95 1HG GLU 95 9.606 3.512 -11.992 750 H GLN 96 H GLN 96 9.554 7.383 -8.658 751 HA GLN 96 HA GLN 96 9.909 9.562 -10.563 752 HB2 GLN 96 2HB GLN 96 9.003 9.744 -7.701 753 HB3 GLN 96 1HB GLN 96 8.784 10.941 -8.959 754 HG2 GLN 96 2HG GLN 96 7.458 8.253 -8.724 755 HG3 GLN 96 1HG GLN 96 6.706 9.839 -8.579 756 HE21 GLN 96 1HE2 GLN 96 6.231 7.542 -10.321 757 HE22 GLN 96 2HE2 GLN 96 6.281 8.134 -11.941 758 H GLY 97 H GLY 97 11.874 7.999 -8.446 759 HA2 GLY 97 2HA GLY 97 14.039 8.473 -7.852 760 HA3 GLY 97 1HA GLY 97 13.862 10.053 -8.601 761 H TRP 98 H TRP 98 11.601 8.993 -6.175 762 HA TRP 98 HA TRP 98 12.698 11.047 -4.407 763 HB2 TRP 98 2HB TRP 98 10.059 9.569 -4.227 764 HB3 TRP 98 1HB TRP 98 10.567 10.903 -3.201 765 HD1 TRP 98 HD TRP 98 11.662 12.750 -5.700 766 HE1 TRP 98 1HE TRP 98 9.893 13.926 -7.174 767 HE3 TRP 98 3HE TRP 98 7.595 9.882 -4.566 768 HZ2 TRP 98 2HZ TRP 98 7.163 13.697 -7.747 769 HZ3 TRP 98 3HZ TRP 98 5.433 10.433 -5.611 770 HH2 TRP 98 HH TRP 98 5.226 12.304 -7.168 771 H GLN 99 H GLN 99 12.753 10.502 -2.058 772 HA GLN 99 HA GLN 99 13.274 7.644 -1.637 773 HB2 GLN 99 2HB GLN 99 15.154 8.167 -0.198 774 HB3 GLN 99 1HB GLN 99 15.449 8.767 -1.818 775 HG2 GLN 99 2HG GLN 99 15.058 11.022 -1.136 776 HG3 GLN 99 1HG GLN 99 14.426 10.498 0.424 777 HE21 GLN 99 1HE2 GLN 99 16.690 12.292 -0.231 778 HE22 GLN 99 2HE2 GLN 99 18.031 11.598 0.611 779 H THR 100 H THR 100 13.492 7.263 0.790 780 HA THR 100 HA THR 100 12.344 9.073 2.556 781 HB THR 100 HB THR 100 10.284 8.138 1.368 782 HG1 THR 100 1HG THR 100 9.566 8.724 3.175 783 HG21 THR 100 3HG2 THR 100 9.580 5.831 1.917 784 HG22 THR 100 1HG2 THR 100 11.119 5.567 2.740 785 HG23 THR 100 2HG2 THR 100 11.086 5.837 0.998 786 H TYR 101 H TYR 101 12.197 7.734 4.736 787 HA TYR 101 HA TYR 101 14.588 6.044 4.639 788 HB2 TYR 101 2HB TYR 101 13.219 7.308 7.041 789 HB3 TYR 101 1HB TYR 101 14.733 6.411 7.076 790 HD1 TYR 101 1HD TYR 101 16.723 7.360 5.806 791 HD2 TYR 101 2HD TYR 101 13.205 9.629 6.572 792 HE1 TYR 101 1HE TYR 101 17.964 9.432 5.349 793 HE2 TYR 101 2HE TYR 101 14.449 11.711 6.114 794 HH TYR 101 HH TYR 101 16.762 12.481 6.146 795 H GLY 102 H GLY 102 14.222 3.920 4.593 796 HA2 GLY 102 2HA GLY 102 13.246 2.029 5.637 797 HA3 GLY 102 1HA GLY 102 11.812 3.007 5.957 798 H ASP 103 H ASP 103 10.539 1.538 4.983 799 HA ASP 103 HA ASP 103 10.393 1.942 2.118 800 HB2 ASP 103 2HB ASP 103 9.568 -0.341 1.755 801 HB3 ASP 103 1HB ASP 103 11.176 -0.382 2.442 802 H VAL 104 H VAL 104 8.100 1.492 1.391 803 HA VAL 104 HA VAL 104 6.501 3.233 3.016 804 HB VAL 104 HB VAL 104 5.863 1.923 0.358 805 HG11 VAL 104 1HG1 VAL 104 3.806 2.486 1.571 806 HG12 VAL 104 2HG1 VAL 104 4.031 3.515 0.162 807 HG13 VAL 104 3HG1 VAL 104 4.384 4.140 1.775 808 HG21 VAL 104 3HG2 VAL 104 6.736 4.720 1.049 809 HG22 VAL 104 1HG2 VAL 104 6.294 4.147 -0.556 810 HG23 VAL 104 2HG2 VAL 104 7.716 3.489 0.254 811 H VAL 105 H VAL 105 4.903 2.787 4.297 812 HA VAL 105 HA VAL 105 3.599 0.200 4.142 813 HB VAL 105 HB VAL 105 3.431 0.159 6.667 814 HG11 VAL 105 1HG1 VAL 105 5.728 -0.662 7.054 815 HG12 VAL 105 2HG1 VAL 105 6.211 0.031 5.506 816 HG13 VAL 105 3HG1 VAL 105 5.023 -1.270 5.559 817 HG21 VAL 105 3HG2 VAL 105 5.561 2.308 6.521 818 HG22 VAL 105 1HG2 VAL 105 5.047 1.475 7.988 819 HG23 VAL 105 2HG2 VAL 105 3.920 2.523 7.127 820 H VAL 106 H VAL 106 1.471 0.469 3.842 821 HA VAL 106 HA VAL 106 0.324 2.959 4.778 822 HB VAL 106 HB VAL 106 -1.217 2.914 2.997 823 HG11 VAL 106 1HG1 VAL 106 0.090 2.926 0.945 824 HG12 VAL 106 2HG1 VAL 106 1.374 2.051 1.761 825 HG13 VAL 106 3HG1 VAL 106 0.993 3.689 2.258 826 HG21 VAL 106 3HG2 VAL 106 -1.901 0.634 2.915 827 HG22 VAL 106 1HG2 VAL 106 -0.318 0.119 2.310 828 HG23 VAL 106 2HG2 VAL 106 -1.382 1.104 1.302 829 H ARG 107 H ARG 107 -1.613 2.774 5.952 830 HA ARG 107 HA ARG 107 -2.573 0.074 6.546 831 HB2 ARG 107 2HB ARG 107 -1.649 2.078 8.596 832 HB3 ARG 107 1HB ARG 107 -2.648 0.680 8.961 833 HG2 ARG 107 2HG ARG 107 -0.886 -0.808 8.281 834 HG3 ARG 107 1HG ARG 107 0.114 0.554 7.772 835 HD2 ARG 107 2HD ARG 107 0.232 1.376 10.018 836 HD3 ARG 107 1HD ARG 107 -0.896 0.144 10.576 837 HE ARG 107 HE ARG 107 0.952 -1.462 9.786 838 HH11 ARG 107 1HH1 ARG 107 1.653 1.759 11.091 839 HH12 ARG 107 2HH1 ARG 107 3.050 1.256 11.900 840 HH21 ARG 107 1HH2 ARG 107 2.776 -2.140 10.884 841 HH22 ARG 107 2HH2 ARG 107 3.738 -1.038 11.793 842 H PHE 108 H PHE 108 -4.673 0.018 7.314 843 HA PHE 108 HA PHE 108 -6.190 2.487 6.938 844 HB2 PHE 108 2HB PHE 108 -7.113 -0.398 6.980 845 HB3 PHE 108 1HB PHE 108 -8.162 0.997 6.788 846 HD1 PHE 108 2HD PHE 108 -7.955 2.387 4.728 847 HD2 PHE 108 1HD PHE 108 -5.983 -1.344 5.165 848 HE1 PHE 108 2HE PHE 108 -7.686 2.257 2.283 849 HE2 PHE 108 1HE PHE 108 -5.715 -1.492 2.717 850 HZ PHE 108 HZ PHE 108 -6.567 0.309 1.276 851 H GLU 109 H GLU 109 -7.659 3.108 8.490 852 HA GLU 109 HA GLU 109 -7.903 1.570 10.945 853 HB2 GLU 109 2HB GLU 109 -7.743 3.656 12.303 854 HB3 GLU 109 1HB GLU 109 -6.224 3.247 11.531 855 HG2 GLU 109 2HG GLU 109 -6.538 4.952 9.880 856 HG3 GLU 109 1HG GLU 109 -8.171 5.261 10.453 857 H GLN 110 H GLN 110 -9.792 2.491 12.224 858 HA GLN 110 HA GLN 110 -11.764 3.551 10.355 859 HB2 GLN 110 2HB GLN 110 -13.510 2.261 11.461 860 HB3 GLN 110 1HB GLN 110 -12.279 1.183 10.832 861 HG2 GLN 110 2HG GLN 110 -12.384 2.054 13.715 862 HG3 GLN 110 1HG GLN 110 -13.227 0.634 13.109 863 HE21 GLN 110 1HE2 GLN 110 -12.063 -1.175 12.636 864 HE22 GLN 110 2HE2 GLN 110 -10.392 -1.364 13.015 865 H SER 111 H SER 111 -13.289 4.928 11.229 866 HA SER 111 HA SER 111 -12.832 5.747 13.962 867 HB2 SER 111 2HB SER 111 -13.105 7.533 11.552 868 HB3 SER 111 1HB SER 111 -13.237 8.099 13.217 869 HG SER 111 HG SER 111 -11.060 6.674 13.139 870 H SER 112 H SER 112 -14.641 6.166 15.063 871 HA SER 112 HA SER 112 -17.144 5.320 13.929 872 HB2 SER 112 2HB SER 112 -16.370 4.790 16.291 873 HB3 SER 112 1HB SER 112 -16.624 6.487 16.683 874 HG SER 112 HG SER 112 -18.421 4.448 16.238 875 H ASN 113 H ASN 113 -15.467 8.298 14.568 876 HA ASN 113 HA ASN 113 -17.782 9.946 14.332 877 HB2 ASN 113 2HB ASN 113 -14.848 10.499 14.520 878 HB3 ASN 113 1HB ASN 113 -16.013 11.756 14.149 879 HD21 ASN 113 1HD2 ASN 113 -14.703 9.694 16.583 880 HD22 ASN 113 2HD2 ASN 113 -15.523 10.365 17.929 881 H LEU 114 H LEU 114 -16.054 8.234 12.172 882 HA LEU 114 HA LEU 114 -16.544 10.159 10.008 883 HB2 LEU 114 2HB LEU 114 -14.211 9.228 10.299 884 HB3 LEU 114 1HB LEU 114 -14.861 7.641 9.929 885 HG LEU 114 HG LEU 114 -15.497 8.461 7.677 886 HD11 LEU 114 1HD1 LEU 114 -14.563 10.590 6.898 887 HD12 LEU 114 2HD1 LEU 114 -14.044 10.954 8.543 888 HD13 LEU 114 3HD1 LEU 114 -15.763 10.820 8.166 889 HD21 LEU 114 3HD2 LEU 114 -13.368 7.319 8.021 890 HD22 LEU 114 1HD2 LEU 114 -12.601 8.860 8.401 891 HD23 LEU 114 2HD2 LEU 114 -13.234 8.562 6.783 892 H HIS 115 H HIS 115 -17.732 9.330 8.126 893 HA HIS 115 HA HIS 115 -19.329 6.991 8.888 894 HB2 HIS 115 2HB HIS 115 -20.545 9.216 9.098 895 HB3 HIS 115 1HB HIS 115 -20.411 9.361 7.353 896 HD1 HIS 115 1HD HIS 115 -22.550 8.657 6.211 897 HD2 HIS 115 2HD HIS 115 -21.844 6.514 9.702 898 HE1 HIS 115 1HE HIS 115 -24.467 7.064 6.457 899 H THR 116 H THR 116 -20.294 5.803 7.163 900 HA THR 116 HA THR 116 -18.661 4.736 5.310 901 HB THR 116 HB THR 116 -21.634 5.006 5.019 902 HG1 THR 116 1HG THR 116 -21.875 3.659 6.715 903 HG21 THR 116 3HG2 THR 116 -19.783 2.634 4.609 904 HG22 THR 116 1HG2 THR 116 -20.358 3.691 3.311 905 HG23 THR 116 2HG2 THR 116 -21.498 2.719 4.235 906 H GLY 117 H GLY 117 -17.825 5.582 3.471 907 HA2 GLY 117 2HA GLY 117 -18.353 6.312 1.202 908 HA3 GLY 117 1HA GLY 117 -19.458 7.480 1.918 909 H GLN 118 H GLN 118 -17.635 8.063 4.093 910 HA GLN 118 HA GLN 118 -15.949 9.964 2.670 911 HB2 GLN 118 2HB GLN 118 -16.788 9.693 5.547 912 HB3 GLN 118 1HB GLN 118 -15.627 10.889 5.013 913 HG2 GLN 118 2HG GLN 118 -17.315 11.929 3.621 914 HG3 GLN 118 1HG GLN 118 -18.479 10.686 4.073 915 HE21 GLN 118 1HE2 GLN 118 -19.855 12.236 4.930 916 HE22 GLN 118 2HE2 GLN 118 -19.549 13.013 6.445 917 H PHE 119 H PHE 119 -13.779 9.694 2.585 918 HA PHE 119 HA PHE 119 -12.536 8.071 4.630 919 HB2 PHE 119 2HB PHE 119 -11.341 6.630 3.129 920 HB3 PHE 119 1HB PHE 119 -13.015 6.597 2.632 921 HD1 PHE 119 2HD PHE 119 -13.732 7.792 0.560 922 HD2 PHE 119 1HD PHE 119 -9.637 7.381 1.654 923 HE1 PHE 119 2HE PHE 119 -13.061 8.306 -1.750 924 HE2 PHE 119 1HE PHE 119 -8.961 7.890 -0.640 925 HZ PHE 119 HZ PHE 119 -10.674 8.358 -2.356 926 H ARG 120 H ARG 120 -10.335 8.527 4.891 927 HA ARG 120 HA ARG 120 -9.348 10.793 3.397 928 HB2 ARG 120 2HB ARG 120 -8.630 11.928 5.487 929 HB3 ARG 120 1HB ARG 120 -10.375 11.846 5.306 930 HG2 ARG 120 2HG ARG 120 -10.501 10.049 6.908 931 HG3 ARG 120 1HG ARG 120 -8.739 9.994 7.023 932 HD2 ARG 120 2HD ARG 120 -10.462 12.355 7.757 933 HD3 ARG 120 1HD ARG 120 -9.788 11.205 8.906 934 HE ARG 120 HE ARG 120 -7.594 11.902 8.210 935 HH11 ARG 120 1HH1 ARG 120 -10.276 14.123 7.476 936 HH12 ARG 120 2HH1 ARG 120 -9.294 15.516 7.397 937 HH21 ARG 120 1HH2 ARG 120 -6.234 13.919 8.109 938 HH22 ARG 120 2HH2 ARG 120 -7.006 15.373 7.741 939 H ALA 121 H ALA 121 -7.059 10.899 3.388 940 HA ALA 121 HA ALA 121 -5.661 8.779 4.803 941 HB1 ALA 121 1HB ALA 121 -4.502 8.084 2.769 942 HB2 ALA 121 2HB ALA 121 -5.485 9.204 1.833 943 HB3 ALA 121 3HB ALA 121 -6.243 7.821 2.621 944 H ARG 122 H ARG 122 -3.649 9.324 5.342 945 HA ARG 122 HA ARG 122 -2.550 11.785 4.210 946 HB2 ARG 122 2HB ARG 122 -1.732 12.480 6.417 947 HB3 ARG 122 1HB ARG 122 -3.488 12.422 6.366 948 HG2 ARG 122 2HG ARG 122 -3.493 10.337 7.538 949 HG3 ARG 122 1HG ARG 122 -1.734 10.274 7.525 950 HD2 ARG 122 2HD ARG 122 -1.592 12.256 8.886 951 HD3 ARG 122 1HD ARG 122 -3.339 12.465 8.821 952 HE ARG 122 HE ARG 122 -3.547 10.439 10.136 953 HH11 ARG 122 1HH1 ARG 122 -0.270 11.893 10.125 954 HH12 ARG 122 2HH1 ARG 122 0.133 11.241 11.635 955 HH21 ARG 122 1HH2 ARG 122 -2.914 9.563 12.221 956 HH22 ARG 122 2HH2 ARG 122 -1.365 9.880 12.835 957 H GLY 123 H GLY 123 -0.397 11.887 4.175 958 HA2 GLY 123 2HA GLY 123 1.037 9.366 4.686 959 HA3 GLY 123 1HA GLY 123 1.376 10.421 3.314 960 H THR 124 H THR 124 2.559 9.535 6.153 961 HA THR 124 HA THR 124 3.630 12.169 6.721 962 HB THR 124 HB THR 124 3.014 9.871 8.608 963 HG1 THR 124 1HG THR 124 1.720 12.353 8.082 964 HG21 THR 124 3HG2 THR 124 3.917 12.700 9.159 965 HG22 THR 124 1HG2 THR 124 4.905 11.247 9.321 966 HG23 THR 124 2HG2 THR 124 3.509 11.488 10.385 967 H VAL 125 H VAL 125 5.882 12.147 7.294 968 HA VAL 125 HA VAL 125 7.318 9.831 6.258 969 HB VAL 125 HB VAL 125 8.420 12.552 7.021 970 HG11 VAL 125 1HG1 VAL 125 10.068 10.780 7.108 971 HG12 VAL 125 2HG1 VAL 125 10.393 11.834 5.726 972 HG13 VAL 125 3HG1 VAL 125 9.628 10.261 5.483 973 HG21 VAL 125 3HG2 VAL 125 7.936 11.532 4.234 974 HG22 VAL 125 1HG2 VAL 125 8.493 13.127 4.699 975 HG23 VAL 125 2HG2 VAL 125 6.828 12.632 5.060 976 H ASN 126 H ASN 126 7.876 8.437 7.745 977 HA ASN 126 HA ASN 126 8.460 9.327 10.425 978 HB2 ASN 126 2HB ASN 126 7.171 7.267 10.271 979 HB3 ASN 126 1HB ASN 126 8.382 6.543 9.219 980 HD21 ASN 126 1HD2 ASN 126 8.728 4.854 10.602 981 HD22 ASN 126 2HD2 ASN 126 9.575 4.994 12.096 982 HA PRO 127 HA PRO 127 12.611 9.450 8.582 983 HB2 PRO 127 2HB PRO 127 13.713 11.248 10.238 984 HB3 PRO 127 1HB PRO 127 12.556 11.732 8.996 985 HG2 PRO 127 2HG PRO 127 12.136 11.354 11.928 986 HG3 PRO 127 1HG PRO 127 11.463 12.589 10.851 987 HD2 PRO 127 2HD PRO 127 10.123 10.312 11.695 988 HD3 PRO 127 1HD PRO 127 9.714 11.253 10.251 989 H ASP 128 H ASP 128 11.583 8.343 11.550 990 HA ASP 128 HA ASP 128 14.203 7.805 12.649 991 HB2 ASP 128 2HB ASP 128 11.447 7.217 13.720 992 HB3 ASP 128 1HB ASP 128 12.945 6.835 14.560 993 H VAL 129 H VAL 129 13.300 6.486 10.190 994 HA VAL 129 HA VAL 129 13.398 3.708 11.099 995 HB VAL 129 HB VAL 129 13.188 4.670 8.230 996 HG11 VAL 129 1HG1 VAL 129 12.527 2.329 7.790 997 HG12 VAL 129 2HG1 VAL 129 12.836 1.948 9.485 998 HG13 VAL 129 3HG1 VAL 129 14.157 2.476 8.443 999 HG21 VAL 129 3HG2 VAL 129 11.174 5.304 9.490 1000 HG22 VAL 129 1HG2 VAL 129 10.979 3.631 10.010 1001 HG23 VAL 129 2HG2 VAL 129 10.834 4.045 8.302 1002 H GLU 130 H GLU 130 15.414 3.334 11.652 1003 HA GLU 130 HA GLU 130 17.534 4.452 10.061 1004 HB2 GLU 130 2HB GLU 130 17.657 2.800 12.579 1005 HB3 GLU 130 1HB GLU 130 19.031 3.569 11.793 1006 HG2 GLU 130 2HG GLU 130 17.879 5.756 12.105 1007 HG3 GLU 130 1HG GLU 130 16.675 4.917 13.076 1008 H THR 131 H THR 131 19.249 3.118 9.293 1009 HA THR 131 HA THR 131 18.118 0.827 8.023 1010 HB THR 131 HB THR 131 19.480 2.391 6.731 1011 HG1 THR 131 1HG THR 131 20.960 -0.010 6.811 1012 HG21 THR 131 3HG2 THR 131 21.147 3.066 8.390 1013 HG22 THR 131 1HG2 THR 131 21.952 2.437 6.950 1014 HG23 THR 131 2HG2 THR 131 21.814 1.433 8.392 1015 H HIS 132 H HIS 132 18.285 -1.158 8.682 1016 HA HIS 132 HA HIS 132 20.423 -1.909 10.495 1017 HB2 HIS 132 2HB HIS 132 17.471 -2.552 10.853 1018 HB3 HIS 132 1HB HIS 132 18.766 -3.330 11.744 1019 HD1 HIS 132 1HD HIS 132 16.407 -0.598 12.056 1020 HD2 HIS 132 2HD HIS 132 20.312 -1.317 13.303 1021 HE1 HIS 132 1HE HIS 132 16.853 1.001 13.945 Start of MODEL 18 1 H1 MET 1 1HT MET 1 9.004 -11.909 4.735 2 H2 MET 1 2HT MET 1 9.038 -13.592 4.877 3 H3 MET 1 3HT MET 1 8.532 -12.895 3.451 4 HA MET 1 HA MET 1 10.692 -12.081 2.966 5 HB2 MET 1 2HB MET 1 11.429 -13.382 5.597 6 HB3 MET 1 1HB MET 1 12.611 -12.896 4.404 7 HG2 MET 1 2HG MET 1 11.785 -10.553 4.671 8 HG3 MET 1 1HG MET 1 10.779 -11.123 6.002 9 HE1 MET 1 2HE MET 1 11.822 -12.277 8.231 10 HE2 MET 1 3HE MET 1 13.556 -12.394 8.542 11 HE3 MET 1 1HE MET 1 12.818 -13.372 7.275 12 H GLY 2 H GLY 2 12.487 -13.592 2.180 13 HA2 GLY 2 2HA GLY 2 12.584 -16.256 2.450 14 HA3 GLY 2 1HA GLY 2 11.218 -16.033 1.366 15 H SER 3 H SER 3 11.586 -15.633 -0.717 16 HA SER 3 HA SER 3 14.390 -15.410 -1.464 17 HB2 SER 3 2HB SER 3 13.272 -17.633 -1.873 18 HB3 SER 3 1HB SER 3 12.193 -16.810 -2.990 19 HG SER 3 HG SER 3 14.952 -17.236 -3.154 20 H GLN 4 H GLN 4 14.604 -13.301 -2.041 21 HA GLN 4 HA GLN 4 12.936 -12.399 -4.234 22 HB2 GLN 4 2HB GLN 4 12.060 -11.290 -2.158 23 HB3 GLN 4 1HB GLN 4 13.656 -10.595 -1.902 24 HG2 GLN 4 2HG GLN 4 13.487 -9.437 -4.070 25 HG3 GLN 4 1HG GLN 4 11.868 -10.092 -4.280 26 HE21 GLN 4 1HE2 GLN 4 10.887 -8.095 -4.355 27 HE22 GLN 4 2HE2 GLN 4 10.738 -7.081 -2.975 28 H LYS 5 H LYS 5 14.343 -12.310 -5.787 29 HA LYS 5 HA LYS 5 16.999 -11.228 -5.209 30 HB2 LYS 5 2HB LYS 5 16.154 -13.223 -7.344 31 HB3 LYS 5 1HB LYS 5 17.743 -12.513 -7.236 32 HG2 LYS 5 2HG LYS 5 17.977 -14.660 -6.325 33 HG3 LYS 5 1HG LYS 5 17.932 -13.575 -4.943 34 HD2 LYS 5 2HD LYS 5 16.596 -15.527 -4.456 35 HD3 LYS 5 1HD LYS 5 15.527 -14.139 -4.646 36 HE2 LYS 5 2HE LYS 5 14.613 -16.109 -5.763 37 HE3 LYS 5 1HE LYS 5 15.005 -14.860 -6.939 38 HZ1 LYS 5 3HZ LYS 5 17.055 -16.043 -7.446 39 HZ2 LYS 5 1HZ LYS 5 15.713 -17.034 -7.674 40 HZ3 LYS 5 2HZ LYS 5 16.680 -17.224 -6.306 41 H ARG 6 H ARG 6 17.696 -10.822 -7.901 42 HA ARG 6 HA ARG 6 16.046 -8.579 -8.497 43 HB2 ARG 6 2HB ARG 6 18.447 -9.747 -9.902 44 HB3 ARG 6 1HB ARG 6 17.545 -8.382 -10.537 45 HG2 ARG 6 2HG ARG 6 18.931 -8.450 -7.861 46 HG3 ARG 6 1HG ARG 6 19.547 -7.668 -9.318 47 HD2 ARG 6 2HD ARG 6 17.535 -6.238 -9.369 48 HD3 ARG 6 1HD ARG 6 16.986 -6.992 -7.876 49 HE ARG 6 HE ARG 6 19.344 -6.113 -7.136 50 HH11 ARG 6 1HH1 ARG 6 16.718 -4.503 -8.917 51 HH12 ARG 6 2HH1 ARG 6 17.142 -2.937 -8.411 52 HH21 ARG 6 1HH2 ARG 6 19.893 -3.926 -6.391 53 HH22 ARG 6 2HH2 ARG 6 18.967 -2.612 -6.935 54 H LEU 7 H LEU 7 14.124 -9.305 -8.851 55 HA LEU 7 HA LEU 7 13.456 -11.327 -10.698 56 HB2 LEU 7 2HB LEU 7 12.013 -10.537 -8.794 57 HB3 LEU 7 1HB LEU 7 11.774 -9.031 -9.640 58 HG LEU 7 HG LEU 7 10.836 -11.681 -10.792 59 HD11 LEU 7 1HD1 LEU 7 9.831 -11.418 -8.613 60 HD12 LEU 7 2HD1 LEU 7 8.641 -11.139 -9.883 61 HD13 LEU 7 3HD1 LEU 7 9.351 -9.772 -9.016 62 HD21 LEU 7 3HD2 LEU 7 9.264 -10.270 -12.026 63 HD22 LEU 7 1HD2 LEU 7 10.927 -9.781 -12.358 64 HD23 LEU 7 2HD2 LEU 7 9.931 -8.836 -11.248 65 H VAL 8 H VAL 8 14.057 -11.132 -12.667 66 HA VAL 8 HA VAL 8 14.360 -8.633 -13.992 67 HB VAL 8 HB VAL 8 15.807 -10.604 -14.478 68 HG11 VAL 8 1HG1 VAL 8 15.005 -12.401 -15.918 69 HG12 VAL 8 2HG1 VAL 8 13.358 -11.793 -15.731 70 HG13 VAL 8 3HG1 VAL 8 14.246 -12.389 -14.326 71 HG21 VAL 8 3HG2 VAL 8 15.829 -10.404 -16.944 72 HG22 VAL 8 1HG2 VAL 8 15.719 -8.844 -16.126 73 HG23 VAL 8 2HG2 VAL 8 14.283 -9.557 -16.858 74 H GLN 9 H GLN 9 13.136 -7.834 -15.642 75 HA GLN 9 HA GLN 9 10.496 -7.522 -15.265 76 HB2 GLN 9 2HB GLN 9 11.989 -6.175 -16.691 77 HB3 GLN 9 1HB GLN 9 11.890 -7.414 -17.925 78 HG2 GLN 9 2HG GLN 9 9.482 -7.008 -18.098 79 HG3 GLN 9 1HG GLN 9 9.629 -5.731 -16.889 80 HE21 GLN 9 1HE2 GLN 9 8.753 -5.518 -19.603 81 HE22 GLN 9 2HE2 GLN 9 9.826 -4.416 -20.389 82 H ARG 10 H ARG 10 8.942 -8.933 -15.229 83 HA ARG 10 HA ARG 10 8.983 -11.247 -16.995 84 HB2 ARG 10 2HB ARG 10 7.553 -10.657 -14.431 85 HB3 ARG 10 1HB ARG 10 6.921 -11.884 -15.511 86 HG2 ARG 10 2HG ARG 10 9.698 -11.875 -14.330 87 HG3 ARG 10 1HG ARG 10 8.338 -12.844 -13.748 88 HD2 ARG 10 2HD ARG 10 8.180 -13.851 -16.036 89 HD3 ARG 10 1HD ARG 10 9.650 -12.982 -16.451 90 HE ARG 10 HE ARG 10 10.133 -14.532 -14.179 91 HH11 ARG 10 1HH1 ARG 10 9.459 -14.913 -17.641 92 HH12 ARG 10 2HH1 ARG 10 10.267 -16.398 -17.774 93 HH21 ARG 10 1HH2 ARG 10 11.221 -16.562 -14.363 94 HH22 ARG 10 2HH2 ARG 10 11.336 -17.345 -15.884 95 H VAL 11 H VAL 11 6.688 -12.006 -17.564 96 HA VAL 11 HA VAL 11 5.597 -10.145 -19.378 97 HB VAL 11 HB VAL 11 3.781 -11.899 -19.683 98 HG11 VAL 11 1HG1 VAL 11 5.268 -13.538 -20.718 99 HG12 VAL 11 2HG1 VAL 11 6.634 -12.863 -19.829 100 HG13 VAL 11 3HG1 VAL 11 5.804 -11.892 -21.047 101 HG21 VAL 11 3HG2 VAL 11 4.063 -14.051 -18.624 102 HG22 VAL 11 1HG2 VAL 11 3.868 -12.812 -17.388 103 HG23 VAL 11 2HG2 VAL 11 5.468 -13.469 -17.728 104 H GLU 12 H GLU 12 3.682 -9.033 -19.334 105 HA GLU 12 HA GLU 12 2.744 -8.147 -16.816 106 HB2 GLU 12 2HB GLU 12 2.761 -6.741 -18.863 107 HB3 GLU 12 1HB GLU 12 1.531 -7.781 -19.567 108 HG2 GLU 12 2HG GLU 12 0.514 -5.765 -18.728 109 HG3 GLU 12 1HG GLU 12 -0.006 -7.138 -17.752 110 H ARG 13 H ARG 13 1.467 -9.277 -15.554 111 HA ARG 13 HA ARG 13 -0.738 -10.774 -16.708 112 HB2 ARG 13 2HB ARG 13 1.173 -11.859 -14.620 113 HB3 ARG 13 1HB ARG 13 -0.361 -12.594 -15.032 114 HG2 ARG 13 2HG ARG 13 2.006 -12.270 -16.851 115 HG3 ARG 13 1HG ARG 13 1.483 -13.775 -16.080 116 HD2 ARG 13 2HD ARG 13 -0.666 -13.572 -17.313 117 HD3 ARG 13 1HD ARG 13 -0.020 -12.156 -18.141 118 HE ARG 13 HE ARG 13 0.857 -14.917 -18.417 119 HH11 ARG 13 1HH1 ARG 13 1.062 -11.560 -19.584 120 HH12 ARG 13 2HH1 ARG 13 1.744 -11.997 -21.092 121 HH21 ARG 13 1HH2 ARG 13 1.797 -15.474 -20.503 122 HH22 ARG 13 2HH2 ARG 13 2.158 -14.248 -21.611 123 H LYS 14 H LYS 14 -2.438 -11.059 -15.202 124 HA LYS 14 HA LYS 14 -2.336 -9.094 -13.061 125 HB2 LYS 14 2HB LYS 14 -4.689 -10.488 -14.359 126 HB3 LYS 14 1HB LYS 14 -4.839 -9.536 -12.890 127 HG2 LYS 14 2HG LYS 14 -5.523 -8.139 -14.669 128 HG3 LYS 14 1HG LYS 14 -3.920 -7.585 -14.200 129 HD2 LYS 14 2HD LYS 14 -3.005 -8.951 -16.097 130 HD3 LYS 14 1HD LYS 14 -4.670 -9.253 -16.597 131 HE2 LYS 14 2HE LYS 14 -3.311 -6.570 -16.381 132 HE3 LYS 14 1HE LYS 14 -3.744 -7.411 -17.863 133 HZ1 LYS 14 3HZ LYS 14 -6.077 -7.169 -17.293 134 HZ2 LYS 14 1HZ LYS 14 -5.300 -5.668 -17.304 135 HZ3 LYS 14 2HZ LYS 14 -5.668 -6.412 -15.834 136 H LEU 15 H LEU 15 -2.486 -9.664 -10.998 137 HA LEU 15 HA LEU 15 -1.719 -12.357 -10.426 138 HB2 LEU 15 2HB LEU 15 -2.300 -10.064 -8.552 139 HB3 LEU 15 1HB LEU 15 -1.565 -11.581 -8.087 140 HG LEU 15 HG LEU 15 -0.367 -9.480 -9.900 141 HD11 LEU 15 1HD1 LEU 15 -0.334 -8.872 -7.561 142 HD12 LEU 15 2HD1 LEU 15 1.292 -9.240 -8.136 143 HD13 LEU 15 3HD1 LEU 15 0.419 -10.414 -7.151 144 HD21 LEU 15 3HD2 LEU 15 1.656 -10.880 -9.897 145 HD22 LEU 15 1HD2 LEU 15 0.299 -11.698 -10.671 146 HD23 LEU 15 2HD2 LEU 15 0.777 -12.141 -9.033 147 H GLU 16 H GLU 16 -2.768 -13.692 -8.838 148 HA GLU 16 HA GLU 16 -5.497 -14.024 -9.491 149 HB2 GLU 16 2HB GLU 16 -3.782 -15.402 -7.426 150 HB3 GLU 16 1HB GLU 16 -5.417 -15.895 -7.857 151 HG2 GLU 16 2HG GLU 16 -4.705 -16.317 -10.145 152 HG3 GLU 16 1HG GLU 16 -3.076 -15.788 -9.743 153 H GLN 17 H GLN 17 -7.214 -13.291 -8.571 154 HA GLN 17 HA GLN 17 -6.911 -11.613 -6.198 155 HB2 GLN 17 2HB GLN 17 -9.145 -11.753 -8.229 156 HB3 GLN 17 1HB GLN 17 -8.981 -10.574 -6.942 157 HG2 GLN 17 2HG GLN 17 -7.123 -10.887 -9.291 158 HG3 GLN 17 1HG GLN 17 -8.361 -9.644 -9.111 159 HE21 GLN 17 1HE2 GLN 17 -5.468 -9.452 -9.432 160 HE22 GLN 17 2HE2 GLN 17 -4.895 -8.523 -8.097 161 H THR 18 H THR 18 -8.129 -12.062 -4.349 162 HA THR 18 HA THR 18 -9.308 -14.555 -3.922 163 HB THR 18 HB THR 18 -9.904 -11.950 -2.485 164 HG1 THR 18 1HG THR 18 -7.927 -12.966 -1.224 165 HG21 THR 18 3HG2 THR 18 -9.617 -14.787 -1.460 166 HG22 THR 18 1HG2 THR 18 -11.150 -13.954 -1.729 167 HG23 THR 18 2HG2 THR 18 -10.036 -13.372 -0.494 168 H VAL 19 H VAL 19 -11.612 -15.096 -3.933 169 HA VAL 19 HA VAL 19 -13.112 -13.460 -5.724 170 HB VAL 19 HB VAL 19 -14.992 -15.103 -5.458 171 HG11 VAL 19 1HG1 VAL 19 -12.301 -16.260 -6.169 172 HG12 VAL 19 2HG1 VAL 19 -13.370 -15.354 -7.240 173 HG13 VAL 19 3HG1 VAL 19 -13.861 -16.938 -6.641 174 HG21 VAL 19 3HG2 VAL 19 -14.475 -15.868 -3.168 175 HG22 VAL 19 1HG2 VAL 19 -13.012 -16.643 -3.765 176 HG23 VAL 19 2HG2 VAL 19 -14.600 -17.219 -4.289 177 H GLY 20 H GLY 20 -13.296 -11.591 -4.785 178 HA2 GLY 20 2HA GLY 20 -14.639 -11.389 -2.230 179 HA3 GLY 20 1HA GLY 20 -13.880 -10.073 -3.120 180 H ASP 21 H ASP 21 -16.555 -12.366 -3.426 181 HA ASP 21 HA ASP 21 -18.094 -10.871 -5.220 182 HB2 ASP 21 2HB ASP 21 -19.022 -12.816 -3.096 183 HB3 ASP 21 1HB ASP 21 -20.054 -12.165 -4.353 184 H ALA 22 H ALA 22 -17.983 -10.883 -1.786 185 HA ALA 22 HA ALA 22 -20.053 -9.033 -1.259 186 HB1 ALA 22 1HB ALA 22 -19.050 -10.400 0.533 187 HB2 ALA 22 2HB ALA 22 -19.002 -8.686 0.931 188 HB3 ALA 22 3HB ALA 22 -17.546 -9.499 0.361 189 H PHE 23 H PHE 23 -16.615 -8.567 -1.579 190 HA PHE 23 HA PHE 23 -16.472 -5.815 -1.235 191 HB2 PHE 23 2HB PHE 23 -14.882 -7.717 -2.873 192 HB3 PHE 23 1HB PHE 23 -14.347 -6.048 -2.604 193 HD1 PHE 23 1HD PHE 23 -14.757 -9.390 -1.198 194 HD2 PHE 23 2HD PHE 23 -13.570 -5.395 -0.374 195 HE1 PHE 23 1HE PHE 23 -13.676 -10.146 0.871 196 HE2 PHE 23 2HE PHE 23 -12.494 -6.137 1.699 197 HZ PHE 23 HZ PHE 23 -12.540 -8.521 2.325 198 H ALA 24 H ALA 24 -16.814 -7.716 -4.202 199 HA ALA 24 HA ALA 24 -16.824 -5.671 -6.067 200 HB1 ALA 24 1HB ALA 24 -16.639 -8.051 -6.633 201 HB2 ALA 24 2HB ALA 24 -17.905 -7.254 -7.567 202 HB3 ALA 24 3HB ALA 24 -18.332 -8.280 -6.198 203 H ARG 25 H ARG 25 -19.616 -7.157 -4.411 204 HA ARG 25 HA ARG 25 -21.459 -5.464 -5.728 205 HB2 ARG 25 2HB ARG 25 -23.134 -6.391 -4.246 206 HB3 ARG 25 1HB ARG 25 -22.150 -7.666 -4.948 207 HG2 ARG 25 2HG ARG 25 -20.927 -7.846 -2.839 208 HG3 ARG 25 1HG ARG 25 -21.915 -6.556 -2.160 209 HD2 ARG 25 2HD ARG 25 -22.952 -9.208 -3.158 210 HD3 ARG 25 1HD ARG 25 -22.664 -8.799 -1.468 211 HE ARG 25 HE ARG 25 -24.432 -6.987 -2.832 212 HH11 ARG 25 1HH1 ARG 25 -24.272 -9.992 -0.968 213 HH12 ARG 25 2HH1 ARG 25 -25.892 -9.908 -0.458 214 HH21 ARG 25 1HH2 ARG 25 -26.671 -6.908 -2.120 215 HH22 ARG 25 2HH2 ARG 25 -27.270 -8.170 -1.138 216 H ILE 26 H ILE 26 -19.658 -5.147 -2.783 217 HA ILE 26 HA ILE 26 -21.299 -3.055 -1.718 218 HB ILE 26 HB ILE 26 -18.515 -3.960 -0.919 219 HG12 ILE 26 2HG1 ILE 26 -21.173 -4.332 0.491 220 HG13 ILE 26 1HG1 ILE 26 -20.399 -5.556 -0.507 221 HG21 ILE 26 1HG2 ILE 26 -20.318 -1.977 0.476 222 HG22 ILE 26 2HG2 ILE 26 -18.794 -1.603 -0.330 223 HG23 ILE 26 3HG2 ILE 26 -18.803 -2.610 1.119 224 HD11 ILE 26 3HD1 ILE 26 -19.259 -4.376 2.022 225 HD12 ILE 26 1HD1 ILE 26 -18.512 -5.632 1.041 226 HD13 ILE 26 2HD1 ILE 26 -20.028 -5.958 1.877 227 H PHE 27 H PHE 27 -18.061 -3.081 -3.185 228 HA PHE 27 HA PHE 27 -18.024 -0.200 -3.066 229 HB2 PHE 27 2HB PHE 27 -15.925 -2.115 -4.087 230 HB3 PHE 27 1HB PHE 27 -15.706 -0.384 -3.865 231 HD1 PHE 27 2HD PHE 27 -15.983 0.562 -1.534 232 HD2 PHE 27 1HD PHE 27 -15.587 -3.598 -2.293 233 HE1 PHE 27 2HE PHE 27 -15.378 0.194 0.820 234 HE2 PHE 27 1HE PHE 27 -14.986 -3.976 0.062 235 HZ PHE 27 HZ PHE 27 -14.878 -2.079 1.620 236 H GLY 28 H GLY 28 -19.013 -2.480 -5.326 237 HA2 GLY 28 2HA GLY 28 -20.046 -2.026 -7.371 238 HA3 GLY 28 1HA GLY 28 -19.413 -0.383 -7.291 239 H GLY 29 H GLY 29 -17.953 -3.573 -7.236 240 HA2 GLY 29 2HA GLY 29 -16.845 -4.212 -9.420 241 HA3 GLY 29 1HA GLY 29 -16.043 -2.651 -9.282 242 H SER 30 H SER 30 -14.842 -2.278 -7.253 243 HA SER 30 HA SER 30 -13.093 -2.743 -5.925 244 HB2 SER 30 2HB SER 30 -15.000 -3.860 -4.662 245 HB3 SER 30 1HB SER 30 -14.504 -5.378 -5.398 246 HG SER 30 HG SER 30 -12.811 -5.469 -4.155 247 H ILE 31 H ILE 31 -12.887 -3.448 -8.677 248 HA ILE 31 HA ILE 31 -11.376 -5.902 -8.904 249 HB ILE 31 HB ILE 31 -11.665 -3.592 -10.870 250 HG12 ILE 31 2HG1 ILE 31 -13.212 -6.199 -10.743 251 HG13 ILE 31 1HG1 ILE 31 -13.842 -4.634 -10.263 252 HG21 ILE 31 1HG2 ILE 31 -9.723 -4.991 -11.352 253 HG22 ILE 31 2HG2 ILE 31 -10.972 -5.232 -12.577 254 HG23 ILE 31 3HG2 ILE 31 -10.734 -6.436 -11.313 255 HD11 ILE 31 3HD1 ILE 31 -14.658 -5.258 -12.444 256 HD12 ILE 31 1HD1 ILE 31 -13.006 -5.455 -13.034 257 HD13 ILE 31 2HD1 ILE 31 -13.596 -3.856 -12.577 258 H VAL 32 H VAL 32 -10.829 -2.447 -8.891 259 HA VAL 32 HA VAL 32 -8.158 -2.892 -7.921 260 HB VAL 32 HB VAL 32 -7.809 -2.554 -10.309 261 HG11 VAL 32 1HG1 VAL 32 -9.416 -0.018 -10.059 262 HG12 VAL 32 2HG1 VAL 32 -9.873 -1.474 -10.939 263 HG13 VAL 32 3HG1 VAL 32 -8.504 -0.508 -11.487 264 HG21 VAL 32 3HG2 VAL 32 -6.166 -1.528 -8.851 265 HG22 VAL 32 1HG2 VAL 32 -7.123 -0.049 -8.777 266 HG23 VAL 32 2HG2 VAL 32 -6.387 -0.546 -10.300 267 HA PRO 33 HA PRO 33 -9.934 0.298 -5.344 268 HB2 PRO 33 2HB PRO 33 -7.611 0.174 -3.621 269 HB3 PRO 33 1HB PRO 33 -9.243 -0.397 -3.292 270 HG2 PRO 33 2HG PRO 33 -7.079 -2.077 -3.658 271 HG3 PRO 33 1HG PRO 33 -8.769 -2.542 -3.900 272 HD2 PRO 33 2HD PRO 33 -6.699 -1.821 -5.924 273 HD3 PRO 33 1HD PRO 33 -8.009 -3.020 -5.995 274 H GLN 34 H GLN 34 -9.422 1.624 -7.197 275 HA GLN 34 HA GLN 34 -6.871 2.808 -7.576 276 HB2 GLN 34 2HB GLN 34 -8.601 2.356 -9.359 277 HB3 GLN 34 1HB GLN 34 -9.520 3.708 -8.730 278 HG2 GLN 34 2HG GLN 34 -6.708 3.968 -9.763 279 HG3 GLN 34 1HG GLN 34 -8.123 4.135 -10.790 280 HE21 GLN 34 1HE2 GLN 34 -6.005 6.025 -10.094 281 HE22 GLN 34 2HE2 GLN 34 -6.808 7.424 -9.476 282 H GLU 35 H GLU 35 -9.883 3.866 -6.092 283 HA GLU 35 HA GLU 35 -9.262 6.586 -5.750 284 HB2 GLU 35 2HB GLU 35 -11.010 4.842 -3.992 285 HB3 GLU 35 1HB GLU 35 -10.976 6.588 -3.976 286 HG2 GLU 35 2HG GLU 35 -11.832 6.704 -6.202 287 HG3 GLU 35 1HG GLU 35 -11.721 4.956 -6.382 288 H VAL 36 H VAL 36 -8.468 3.791 -3.845 289 HA VAL 36 HA VAL 36 -7.482 5.140 -1.576 290 HB VAL 36 HB VAL 36 -6.625 2.418 -2.618 291 HG11 VAL 36 1HG1 VAL 36 -6.414 3.604 0.152 292 HG12 VAL 36 2HG1 VAL 36 -5.073 3.291 -0.953 293 HG13 VAL 36 3HG1 VAL 36 -6.002 1.947 -0.293 294 HG21 VAL 36 3HG2 VAL 36 -9.040 2.525 -2.288 295 HG22 VAL 36 1HG2 VAL 36 -8.802 3.138 -0.653 296 HG23 VAL 36 2HG2 VAL 36 -8.289 1.501 -1.066 297 H GLU 37 H GLU 37 -5.703 3.729 -4.368 298 HA GLU 37 HA GLU 37 -3.263 4.851 -3.449 299 HB2 GLU 37 2HB GLU 37 -2.265 4.178 -5.590 300 HB3 GLU 37 1HB GLU 37 -3.154 2.880 -4.816 301 HG2 GLU 37 2HG GLU 37 -4.934 3.070 -6.367 302 HG3 GLU 37 1HG GLU 37 -4.273 4.568 -7.025 303 H ALA 38 H ALA 38 -5.774 6.013 -5.469 304 HA ALA 38 HA ALA 38 -4.445 8.146 -6.713 305 HB1 ALA 38 1HB ALA 38 -6.656 9.171 -6.967 306 HB2 ALA 38 2HB ALA 38 -7.323 8.032 -5.796 307 HB3 ALA 38 3HB ALA 38 -6.717 7.451 -7.346 308 H LEU 39 H LEU 39 -6.110 7.931 -3.597 309 HA LEU 39 HA LEU 39 -5.504 10.628 -2.986 310 HB2 LEU 39 2HB LEU 39 -7.429 9.379 -2.016 311 HB3 LEU 39 1HB LEU 39 -6.300 8.445 -1.053 312 HG LEU 39 HG LEU 39 -5.596 10.505 0.114 313 HD11 LEU 39 1HD1 LEU 39 -6.012 12.093 -1.675 314 HD12 LEU 39 2HD1 LEU 39 -6.858 12.561 -0.202 315 HD13 LEU 39 3HD1 LEU 39 -7.746 11.815 -1.532 316 HD21 LEU 39 3HD2 LEU 39 -7.413 9.172 1.039 317 HD22 LEU 39 1HD2 LEU 39 -8.577 10.094 0.088 318 HD23 LEU 39 2HD2 LEU 39 -7.645 10.889 1.354 319 H LEU 40 H LEU 40 -4.021 7.531 -2.241 320 HA LEU 40 HA LEU 40 -2.023 8.497 -0.528 321 HB2 LEU 40 2HB LEU 40 -2.275 6.035 -2.167 322 HB3 LEU 40 1HB LEU 40 -0.673 6.449 -1.605 323 HG LEU 40 HG LEU 40 -1.486 6.372 0.731 324 HD11 LEU 40 1HD1 LEU 40 -3.657 5.413 1.255 325 HD12 LEU 40 2HD1 LEU 40 -4.070 5.419 -0.459 326 HD13 LEU 40 3HD1 LEU 40 -3.806 6.944 0.389 327 HD21 LEU 40 3HD2 LEU 40 -2.038 3.878 -0.866 328 HD22 LEU 40 1HD2 LEU 40 -1.758 3.950 0.872 329 HD23 LEU 40 2HD2 LEU 40 -0.471 4.400 -0.244 330 H ARG 41 H ARG 41 -1.919 8.164 -4.086 331 HA ARG 41 HA ARG 41 0.741 9.109 -4.300 332 HB2 ARG 41 2HB ARG 41 0.304 9.556 -6.698 333 HB3 ARG 41 1HB ARG 41 -0.293 7.974 -6.234 334 HG2 ARG 41 2HG ARG 41 -2.530 8.709 -6.250 335 HG3 ARG 41 1HG ARG 41 -2.055 10.395 -6.350 336 HD2 ARG 41 2HD ARG 41 -2.883 9.635 -8.484 337 HD3 ARG 41 1HD ARG 41 -1.175 10.009 -8.608 338 HE ARG 41 HE ARG 41 -1.174 7.345 -8.185 339 HH11 ARG 41 1HH1 ARG 41 -3.169 9.298 -10.389 340 HH12 ARG 41 2HH1 ARG 41 -3.008 8.221 -11.693 341 HH21 ARG 41 1HH2 ARG 41 -1.054 5.789 -10.069 342 HH22 ARG 41 2HH2 ARG 41 -1.852 6.245 -11.502 343 H ARG 42 H ARG 42 -2.298 10.771 -3.976 344 HA ARG 42 HA ARG 42 -1.326 13.371 -4.579 345 HB2 ARG 42 2HB ARG 42 -3.582 12.448 -2.857 346 HB3 ARG 42 1HB ARG 42 -3.196 14.133 -3.099 347 HG2 ARG 42 2HG ARG 42 -3.624 13.806 -5.520 348 HG3 ARG 42 1HG ARG 42 -4.172 12.167 -5.139 349 HD2 ARG 42 2HD ARG 42 -6.076 13.691 -5.211 350 HD3 ARG 42 1HD ARG 42 -5.834 13.065 -3.581 351 HE ARG 42 HE ARG 42 -5.428 15.792 -4.524 352 HH11 ARG 42 1HH1 ARG 42 -5.059 13.573 -1.796 353 HH12 ARG 42 2HH1 ARG 42 -4.919 14.728 -0.581 354 HH21 ARG 42 1HH2 ARG 42 -5.334 17.456 -2.877 355 HH22 ARG 42 2HH2 ARG 42 -5.134 17.072 -1.231 356 H GLU 43 H GLU 43 -1.819 11.628 -1.516 357 HA GLU 43 HA GLU 43 -0.902 13.749 0.098 358 HB2 GLU 43 2HB GLU 43 -1.034 10.799 0.724 359 HB3 GLU 43 1HB GLU 43 -0.793 12.072 1.904 360 HG2 GLU 43 2HG GLU 43 -3.248 11.741 0.185 361 HG3 GLU 43 1HG GLU 43 -3.102 11.217 1.854 362 H ALA 44 H ALA 44 0.713 11.084 -1.470 363 HA ALA 44 HA ALA 44 3.230 11.321 -0.256 364 HB1 ALA 44 1HB ALA 44 2.573 10.480 -3.085 365 HB2 ALA 44 2HB ALA 44 2.608 9.420 -1.673 366 HB3 ALA 44 3HB ALA 44 4.095 10.171 -2.245 367 H ALA 45 H ALA 45 1.850 12.867 -3.127 368 HA ALA 45 HA ALA 45 4.169 14.411 -3.736 369 HB1 ALA 45 1HB ALA 45 2.515 13.833 -5.449 370 HB2 ALA 45 2HB ALA 45 2.714 15.580 -5.328 371 HB3 ALA 45 3HB ALA 45 1.305 14.802 -4.611 372 H ASP 46 H ASP 46 1.454 14.797 -1.700 373 HA ASP 46 HA ASP 46 1.634 17.630 -1.324 374 HB2 ASP 46 2HB ASP 46 -0.485 16.384 -1.088 375 HB3 ASP 46 1HB ASP 46 0.195 15.524 0.287 376 H GLY 47 H GLY 47 3.073 14.846 0.096 377 HA2 GLY 47 2HA GLY 47 4.098 16.418 2.353 378 HA3 GLY 47 1HA GLY 47 4.101 14.667 2.235 379 H ILE 48 H ILE 48 5.067 16.316 -0.598 380 HA ILE 48 HA ILE 48 7.668 15.247 -0.518 381 HB ILE 48 HB ILE 48 6.301 17.207 -2.351 382 HG12 ILE 48 2HG1 ILE 48 5.605 14.906 -2.505 383 HG13 ILE 48 1HG1 ILE 48 6.459 15.373 -3.979 384 HG21 ILE 48 1HG2 ILE 48 9.117 16.204 -2.648 385 HG22 ILE 48 2HG2 ILE 48 8.617 17.859 -2.297 386 HG23 ILE 48 3HG2 ILE 48 8.213 17.129 -3.856 387 HD11 ILE 48 3HD1 ILE 48 7.109 13.161 -3.349 388 HD12 ILE 48 1HD1 ILE 48 7.500 13.676 -1.708 389 HD13 ILE 48 2HD1 ILE 48 8.474 14.239 -3.060 390 H GLN 49 H GLN 49 9.493 16.031 0.131 391 HA GLN 49 HA GLN 49 9.585 18.822 0.901 392 HB2 GLN 49 2HB GLN 49 10.484 16.454 2.494 393 HB3 GLN 49 1HB GLN 49 11.071 18.084 2.818 394 HG2 GLN 49 2HG GLN 49 8.793 18.826 3.171 395 HG3 GLN 49 1HG GLN 49 8.197 17.205 2.815 396 HE21 GLN 49 1HE2 GLN 49 10.373 15.952 4.265 397 HE22 GLN 49 2HE2 GLN 49 10.040 16.150 5.944 398 H SER 50 H SER 50 11.456 19.809 0.677 399 HA SER 50 HA SER 50 12.996 18.983 -1.511 400 HB2 SER 50 2HB SER 50 13.501 21.202 0.471 401 HB3 SER 50 1HB SER 50 14.163 21.070 -1.164 402 HG SER 50 HG SER 50 12.413 22.431 -1.186 403 H LEU 51 H LEU 51 14.740 17.993 -1.634 404 HA LEU 51 HA LEU 51 16.606 17.705 0.524 405 HB2 LEU 51 2HB LEU 51 14.781 15.806 0.563 406 HB3 LEU 51 1HB LEU 51 15.560 15.235 -0.893 407 HG LEU 51 HG LEU 51 17.656 14.850 0.375 408 HD11 LEU 51 1HD1 LEU 51 16.017 15.751 2.736 409 HD12 LEU 51 2HD1 LEU 51 17.437 16.574 2.079 410 HD13 LEU 51 3HD1 LEU 51 17.596 14.984 2.825 411 HD21 LEU 51 3HD2 LEU 51 15.240 13.613 1.683 412 HD22 LEU 51 1HD2 LEU 51 16.880 12.976 1.691 413 HD23 LEU 51 2HD2 LEU 51 15.977 13.063 0.177 414 H GLN 52 H GLN 52 18.210 15.827 -0.931 415 HA GLN 52 HA GLN 52 19.300 17.563 -2.855 416 HB2 GLN 52 2HB GLN 52 19.870 14.676 -2.298 417 HB3 GLN 52 1HB GLN 52 20.756 15.627 -3.486 418 HG2 GLN 52 2HG GLN 52 20.550 16.203 -0.541 419 HG3 GLN 52 1HG GLN 52 21.956 15.551 -1.394 420 HE21 GLN 52 1HE2 GLN 52 21.597 18.012 0.165 421 HE22 GLN 52 2HE2 GLN 52 22.099 19.300 -0.866 422 H GLY 53 H GLY 53 19.808 17.139 -5.044 423 HA2 GLY 53 2HA GLY 53 17.327 17.227 -6.430 424 HA3 GLY 53 1HA GLY 53 18.917 17.418 -7.137 425 H ASN 54 H ASN 54 19.139 14.606 -5.637 426 HA ASN 54 HA ASN 54 18.721 13.117 -8.068 427 HB2 ASN 54 2HB ASN 54 19.535 12.210 -5.308 428 HB3 ASN 54 1HB ASN 54 19.248 11.071 -6.602 429 HD21 ASN 54 1HD2 ASN 54 20.758 14.180 -7.175 430 HD22 ASN 54 2HD2 ASN 54 22.330 13.551 -7.499 431 H ARG 55 H ARG 55 17.157 13.400 -4.917 432 HA ARG 55 HA ARG 55 14.678 12.760 -5.956 433 HB2 ARG 55 2HB ARG 55 14.268 10.681 -4.551 434 HB3 ARG 55 1HB ARG 55 15.202 10.494 -6.021 435 HG2 ARG 55 2HG ARG 55 17.235 10.493 -4.684 436 HG3 ARG 55 1HG ARG 55 16.237 10.587 -3.220 437 HD2 ARG 55 2HD ARG 55 16.829 8.244 -3.652 438 HD3 ARG 55 1HD ARG 55 15.100 8.518 -3.883 439 HE ARG 55 HE ARG 55 16.790 8.648 -6.225 440 HH11 ARG 55 1HH1 ARG 55 14.294 6.870 -4.397 441 HH12 ARG 55 2HH1 ARG 55 14.068 5.691 -5.589 442 HH21 ARG 55 1HH2 ARG 55 16.394 7.072 -7.884 443 HH22 ARG 55 2HH2 ARG 55 15.277 5.816 -7.653 444 H LEU 56 H LEU 56 13.017 13.157 -4.651 445 HA LEU 56 HA LEU 56 13.558 15.074 -2.454 446 HB2 LEU 56 2HB LEU 56 11.037 14.428 -3.973 447 HB3 LEU 56 1HB LEU 56 11.278 15.750 -2.848 448 HG LEU 56 HG LEU 56 12.670 15.452 -5.516 449 HD11 LEU 56 1HD1 LEU 56 11.300 17.348 -6.215 450 HD12 LEU 56 2HD1 LEU 56 10.464 17.316 -4.662 451 HD13 LEU 56 3HD1 LEU 56 10.309 15.957 -5.772 452 HD21 LEU 56 3HD2 LEU 56 13.446 17.753 -5.106 453 HD22 LEU 56 1HD2 LEU 56 14.070 16.627 -3.899 454 HD23 LEU 56 2HD2 LEU 56 12.728 17.699 -3.499 455 H LEU 57 H LEU 57 12.375 15.040 -0.527 456 HA LEU 57 HA LEU 57 12.168 12.369 0.495 457 HB2 LEU 57 2HB LEU 57 13.288 14.158 1.755 458 HB3 LEU 57 1HB LEU 57 11.812 15.081 1.776 459 HG LEU 57 HG LEU 57 10.770 13.441 3.265 460 HD11 LEU 57 1HD1 LEU 57 12.079 11.581 4.171 461 HD12 LEU 57 2HD1 LEU 57 13.417 12.001 3.092 462 HD13 LEU 57 3HD1 LEU 57 11.874 11.458 2.422 463 HD21 LEU 57 3HD2 LEU 57 12.090 15.276 4.226 464 HD22 LEU 57 1HD2 LEU 57 13.521 14.249 4.198 465 HD23 LEU 57 2HD2 LEU 57 12.154 13.827 5.229 466 H ALA 58 H ALA 58 10.348 11.296 0.746 467 HA ALA 58 HA ALA 58 7.783 12.674 0.410 468 HB1 ALA 58 1HB ALA 58 7.016 10.602 -0.712 469 HB2 ALA 58 2HB ALA 58 8.641 9.934 -0.555 470 HB3 ALA 58 3HB ALA 58 8.364 11.356 -1.561 471 HA PRO 59 HA PRO 59 6.401 10.732 4.234 472 HB2 PRO 59 2HB PRO 59 4.080 9.643 2.750 473 HB3 PRO 59 1HB PRO 59 4.115 10.668 4.187 474 HG2 PRO 59 2HG PRO 59 3.426 11.712 1.871 475 HG3 PRO 59 1HG PRO 59 4.511 12.601 2.957 476 HD2 PRO 59 2HD PRO 59 5.196 10.994 0.521 477 HD3 PRO 59 1HD PRO 59 5.780 12.601 1.016 478 H ASN 60 H ASN 60 6.142 8.783 5.302 479 HA ASN 60 HA ASN 60 6.654 6.330 3.764 480 HB2 ASN 60 2HB ASN 60 8.182 5.548 5.543 481 HB3 ASN 60 1HB ASN 60 8.767 7.018 4.787 482 HD21 ASN 60 1HD2 ASN 60 9.626 6.081 7.275 483 HD22 ASN 60 2HD2 ASN 60 9.192 7.220 8.483 484 H GLU 61 H GLU 61 5.174 7.865 6.503 485 HA GLU 61 HA GLU 61 3.824 5.425 7.318 486 HB2 GLU 61 2HB GLU 61 4.844 6.775 9.077 487 HB3 GLU 61 1HB GLU 61 4.032 8.212 8.491 488 HG2 GLU 61 2HG GLU 61 2.984 7.402 10.515 489 HG3 GLU 61 1HG GLU 61 1.879 7.263 9.152 490 H TYR 62 H TYR 62 1.924 5.045 6.370 491 HA TYR 62 HA TYR 62 0.355 7.346 5.471 492 HB2 TYR 62 2HB TYR 62 0.679 4.653 4.134 493 HB3 TYR 62 1HB TYR 62 -0.616 5.774 3.723 494 HD1 TYR 62 1HD TYR 62 3.059 5.331 3.750 495 HD2 TYR 62 2HD TYR 62 -0.211 7.642 2.319 496 HE1 TYR 62 1HE TYR 62 4.570 6.518 2.232 497 HE2 TYR 62 2HE TYR 62 1.295 8.834 0.790 498 HH TYR 62 HH TYR 62 4.550 7.806 0.278 499 H ILE 63 H ILE 63 -1.299 7.614 6.629 500 HA ILE 63 HA ILE 63 -2.550 5.331 7.988 501 HB ILE 63 HB ILE 63 -2.708 8.288 8.671 502 HG12 ILE 63 2HG1 ILE 63 -1.198 6.073 10.094 503 HG13 ILE 63 1HG1 ILE 63 -0.457 7.290 9.067 504 HG21 ILE 63 1HG2 ILE 63 -4.711 7.066 9.335 505 HG22 ILE 63 2HG2 ILE 63 -3.770 7.527 10.755 506 HG23 ILE 63 3HG2 ILE 63 -3.720 5.867 10.171 507 HD11 ILE 63 3HD1 ILE 63 -1.932 7.818 11.640 508 HD12 ILE 63 1HD1 ILE 63 -1.166 9.031 10.617 509 HD13 ILE 63 2HD1 ILE 63 -0.181 7.816 11.430 510 H ILE 64 H ILE 64 -4.269 4.669 6.897 511 HA ILE 64 HA ILE 64 -5.892 6.640 5.479 512 HB ILE 64 HB ILE 64 -5.894 3.607 5.167 513 HG12 ILE 64 2HG1 ILE 64 -5.137 4.161 2.782 514 HG13 ILE 64 1HG1 ILE 64 -4.826 5.789 3.364 515 HG21 ILE 64 1HG2 ILE 64 -8.100 4.537 4.807 516 HG22 ILE 64 2HG2 ILE 64 -7.416 3.966 3.282 517 HG23 ILE 64 3HG2 ILE 64 -7.448 5.693 3.645 518 HD11 ILE 64 3HD1 ILE 64 -3.151 4.940 4.887 519 HD12 ILE 64 1HD1 ILE 64 -2.798 4.445 3.231 520 HD13 ILE 64 2HD1 ILE 64 -3.502 3.292 4.374 521 H THR 65 H THR 65 -7.686 7.246 6.374 522 HA THR 65 HA THR 65 -8.798 5.659 8.560 523 HB THR 65 HB THR 65 -9.260 8.587 7.990 524 HG1 THR 65 1HG THR 65 -7.053 7.263 8.939 525 HG21 THR 65 3HG2 THR 65 -9.820 8.635 10.358 526 HG22 THR 65 1HG2 THR 65 -9.401 6.928 10.516 527 HG23 THR 65 2HG2 THR 65 -10.783 7.402 9.539 528 H LEU 66 H LEU 66 -10.736 4.772 8.163 529 HA LEU 66 HA LEU 66 -12.486 5.915 6.078 530 HB2 LEU 66 2HB LEU 66 -11.573 3.171 6.530 531 HB3 LEU 66 1HB LEU 66 -13.307 3.312 6.371 532 HG LEU 66 HG LEU 66 -12.310 2.732 4.271 533 HD11 LEU 66 1HD1 LEU 66 -14.283 4.092 4.212 534 HD12 LEU 66 2HD1 LEU 66 -13.221 4.460 2.861 535 HD13 LEU 66 3HD1 LEU 66 -13.309 5.562 4.237 536 HD21 LEU 66 3HD2 LEU 66 -10.717 5.275 4.537 537 HD22 LEU 66 1HD2 LEU 66 -10.797 4.264 3.092 538 HD23 LEU 66 2HD2 LEU 66 -10.090 3.627 4.574 539 H GLY 67 H GLY 67 -14.779 5.448 6.426 540 HA2 GLY 67 2HA GLY 67 -15.685 5.847 9.075 541 HA3 GLY 67 1HA GLY 67 -16.688 5.326 7.715 542 H VAL 68 H VAL 68 -16.652 4.348 10.474 543 HA VAL 68 HA VAL 68 -15.182 2.104 11.023 544 HB VAL 68 HB VAL 68 -18.058 2.544 11.776 545 HG11 VAL 68 1HG1 VAL 68 -17.376 0.235 12.212 546 HG12 VAL 68 2HG1 VAL 68 -17.564 1.105 13.735 547 HG13 VAL 68 3HG1 VAL 68 -15.953 0.801 13.085 548 HG21 VAL 68 3HG2 VAL 68 -17.169 3.537 13.831 549 HG22 VAL 68 1HG2 VAL 68 -16.631 4.422 12.407 550 HG23 VAL 68 2HG2 VAL 68 -15.528 3.318 13.233 551 H HIS 69 H HIS 69 -18.399 2.000 9.475 552 HA HIS 69 HA HIS 69 -18.341 -0.829 9.254 553 HB2 HIS 69 2HB HIS 69 -20.441 0.418 9.383 554 HB3 HIS 69 1HB HIS 69 -20.126 1.137 7.808 555 HD1 HIS 69 1HD HIS 69 -20.137 -2.472 9.055 556 HD2 HIS 69 2HD HIS 69 -21.631 -0.106 5.982 557 HE1 HIS 69 1HE HIS 69 -21.472 -4.013 7.570 558 H ASP 70 H ASP 70 -17.243 1.683 7.165 559 HA ASP 70 HA ASP 70 -17.075 0.080 4.770 560 HB2 ASP 70 2HB ASP 70 -17.177 2.662 4.948 561 HB3 ASP 70 1HB ASP 70 -15.482 2.578 5.391 562 H PHE 71 H PHE 71 -14.988 1.142 7.377 563 HA PHE 71 HA PHE 71 -12.568 0.086 6.493 564 HB2 PHE 71 2HB PHE 71 -12.522 1.735 8.105 565 HB3 PHE 71 1HB PHE 71 -13.624 0.893 9.187 566 HD1 PHE 71 1HD PHE 71 -10.244 0.653 7.679 567 HD2 PHE 71 2HD PHE 71 -12.792 -0.407 10.883 568 HE1 PHE 71 1HE PHE 71 -8.323 -0.356 8.860 569 HE2 PHE 71 2HE PHE 71 -10.886 -1.412 12.088 570 HZ PHE 71 HZ PHE 71 -8.650 -1.388 11.065 571 H GLU 72 H GLU 72 -15.197 -1.324 8.328 572 HA GLU 72 HA GLU 72 -14.040 -3.638 9.294 573 HB2 GLU 72 2HB GLU 72 -16.772 -3.305 8.088 574 HB3 GLU 72 1HB GLU 72 -16.237 -4.707 8.985 575 HG2 GLU 72 2HG GLU 72 -15.886 -3.209 10.944 576 HG3 GLU 72 1HG GLU 72 -16.641 -1.917 10.007 577 H LYS 73 H LYS 73 -15.120 -2.886 6.052 578 HA LYS 73 HA LYS 73 -14.726 -5.611 5.204 579 HB2 LYS 73 2HB LYS 73 -15.490 -3.236 3.494 580 HB3 LYS 73 1HB LYS 73 -15.685 -4.942 3.105 581 HG2 LYS 73 2HG LYS 73 -17.196 -3.371 5.200 582 HG3 LYS 73 1HG LYS 73 -17.836 -4.044 3.701 583 HD2 LYS 73 2HD LYS 73 -17.479 -6.310 4.540 584 HD3 LYS 73 1HD LYS 73 -16.727 -5.670 6.004 585 HE2 LYS 73 2HE LYS 73 -18.880 -4.517 6.527 586 HE3 LYS 73 1HE LYS 73 -19.601 -5.337 5.143 587 HZ1 LYS 73 3HZ LYS 73 -18.466 -6.654 7.563 588 HZ2 LYS 73 1HZ LYS 73 -19.049 -7.470 6.218 589 HZ3 LYS 73 2HZ LYS 73 -20.087 -6.563 7.151 590 H LEU 74 H LEU 74 -13.091 -2.544 5.019 591 HA LEU 74 HA LEU 74 -11.143 -3.403 3.105 592 HB2 LEU 74 2HB LEU 74 -10.852 -1.262 5.208 593 HB3 LEU 74 1HB LEU 74 -9.789 -1.508 3.843 594 HG LEU 74 HG LEU 74 -12.616 -0.480 3.822 595 HD11 LEU 74 1HD1 LEU 74 -11.556 1.457 2.794 596 HD12 LEU 74 2HD1 LEU 74 -9.983 0.681 2.981 597 HD13 LEU 74 3HD1 LEU 74 -10.926 1.114 4.405 598 HD21 LEU 74 3HD2 LEU 74 -12.404 -0.346 1.370 599 HD22 LEU 74 1HD2 LEU 74 -12.351 -2.016 1.928 600 HD23 LEU 74 2HD2 LEU 74 -10.862 -1.196 1.459 601 H GLY 75 H GLY 75 -11.415 -3.494 6.568 602 HA2 GLY 75 2HA GLY 75 -8.733 -4.408 7.030 603 HA3 GLY 75 1HA GLY 75 -10.025 -4.268 8.216 604 H ALA 76 H ALA 76 -11.008 -5.961 5.500 605 HA ALA 76 HA ALA 76 -10.872 -8.471 6.909 606 HB1 ALA 76 1HB ALA 76 -12.940 -7.890 5.739 607 HB2 ALA 76 2HB ALA 76 -12.216 -9.332 5.024 608 HB3 ALA 76 3HB ALA 76 -12.053 -7.767 4.222 609 H ASP 77 H ASP 77 -8.955 -6.706 4.805 610 HA ASP 77 HA ASP 77 -7.308 -9.076 4.371 611 HB2 ASP 77 2HB ASP 77 -7.868 -7.087 2.161 612 HB3 ASP 77 1HB ASP 77 -6.621 -8.312 2.108 613 HA PRO 78 HA PRO 78 -4.690 -5.474 5.786 614 HB2 PRO 78 2HB PRO 78 -3.651 -7.529 7.653 615 HB3 PRO 78 1HB PRO 78 -4.170 -5.878 8.008 616 HG2 PRO 78 2HG PRO 78 -5.624 -7.981 8.797 617 HG3 PRO 78 1HG PRO 78 -6.398 -6.488 8.237 618 HD2 PRO 78 2HD PRO 78 -5.981 -9.071 6.763 619 HD3 PRO 78 1HD PRO 78 -7.418 -8.027 6.810 620 H GLU 79 H GLU 79 -4.420 -8.811 5.238 621 HA GLU 79 HA GLU 79 -1.722 -9.291 4.771 622 HB2 GLU 79 2HB GLU 79 -4.134 -10.529 3.495 623 HB3 GLU 79 1HB GLU 79 -2.530 -11.227 3.536 624 HG2 GLU 79 2HG GLU 79 -4.221 -10.635 5.958 625 HG3 GLU 79 1HG GLU 79 -4.035 -12.218 5.202 626 H LEU 80 H LEU 80 -4.328 -8.669 2.417 627 HA LEU 80 HA LEU 80 -2.380 -8.336 0.334 628 HB2 LEU 80 2HB LEU 80 -5.376 -8.262 0.279 629 HB3 LEU 80 1HB LEU 80 -4.356 -8.047 -1.125 630 HG LEU 80 HG LEU 80 -4.568 -10.545 0.561 631 HD11 LEU 80 1HD1 LEU 80 -5.482 -9.953 -2.244 632 HD12 LEU 80 2HD1 LEU 80 -6.514 -10.181 -0.830 633 HD13 LEU 80 3HD1 LEU 80 -5.555 -11.523 -1.450 634 HD21 LEU 80 3HD2 LEU 80 -2.297 -10.327 -0.289 635 HD22 LEU 80 1HD2 LEU 80 -2.919 -9.994 -1.909 636 HD23 LEU 80 2HD2 LEU 80 -3.160 -11.579 -1.182 637 H LYS 81 H LYS 81 -4.684 -6.260 2.065 638 HA LYS 81 HA LYS 81 -4.210 -4.125 0.232 639 HB2 LYS 81 2HB LYS 81 -5.762 -4.197 2.816 640 HB3 LYS 81 1HB LYS 81 -5.669 -2.787 1.769 641 HG2 LYS 81 2HG LYS 81 -6.754 -4.002 -0.036 642 HG3 LYS 81 1HG LYS 81 -6.758 -5.477 0.930 643 HD2 LYS 81 2HD LYS 81 -8.250 -4.454 2.546 644 HD3 LYS 81 1HD LYS 81 -8.177 -2.921 1.684 645 HE2 LYS 81 2HE LYS 81 -10.261 -4.098 1.178 646 HE3 LYS 81 1HE LYS 81 -9.255 -3.950 -0.252 647 HZ1 LYS 81 3HZ LYS 81 -8.601 -6.260 -0.005 648 HZ2 LYS 81 1HZ LYS 81 -10.247 -6.118 -0.096 649 HZ3 LYS 81 2HZ LYS 81 -9.544 -6.472 1.367 650 H SER 82 H SER 82 -3.438 -4.426 3.739 651 HA SER 82 HA SER 82 -2.031 -1.990 3.788 652 HB2 SER 82 2HB SER 82 -1.792 -4.376 5.641 653 HB3 SER 82 1HB SER 82 -1.231 -2.739 5.989 654 HG SER 82 HG SER 82 -3.510 -2.186 5.443 655 H THR 83 H THR 83 -0.870 -5.337 3.545 656 HA THR 83 HA THR 83 1.854 -4.745 3.356 657 HB THR 83 HB THR 83 0.422 -7.049 2.060 658 HG1 THR 83 1HG THR 83 0.085 -7.852 3.945 659 HG21 THR 83 3HG2 THR 83 2.824 -6.863 1.571 660 HG22 THR 83 1HG2 THR 83 2.487 -8.263 2.588 661 HG23 THR 83 2HG2 THR 83 3.172 -6.801 3.299 662 H GLY 84 H GLY 84 -0.660 -5.165 0.844 663 HA2 GLY 84 2HA GLY 84 1.032 -5.167 -1.382 664 HA3 GLY 84 1HA GLY 84 -0.692 -4.828 -1.378 665 H PHE 85 H PHE 85 -1.037 -2.566 -0.108 666 HA PHE 85 HA PHE 85 -0.136 -0.693 -1.973 667 HB2 PHE 85 2HB PHE 85 -1.577 -0.394 0.640 668 HB3 PHE 85 1HB PHE 85 -1.051 1.018 -0.271 669 HD1 PHE 85 1HD PHE 85 -3.254 -1.942 -0.336 670 HD2 PHE 85 2HD PHE 85 -2.162 1.701 -2.234 671 HE1 PHE 85 1HE PHE 85 -5.264 -2.078 -1.740 672 HE2 PHE 85 2HE PHE 85 -4.167 1.575 -3.636 673 HZ PHE 85 HZ PHE 85 -5.719 -0.316 -3.398 674 H ALA 86 H ALA 86 1.160 -1.600 1.133 675 HA ALA 86 HA ALA 86 2.876 0.589 1.493 676 HB1 ALA 86 1HB ALA 86 2.407 -1.055 3.247 677 HB2 ALA 86 2HB ALA 86 4.142 -0.863 2.992 678 HB3 ALA 86 3HB ALA 86 3.302 -2.273 2.343 679 H ARG 87 H ARG 87 3.438 -2.506 -0.199 680 HA ARG 87 HA ARG 87 6.057 -1.626 -0.926 681 HB2 ARG 87 2HB ARG 87 4.538 -4.171 -1.323 682 HB3 ARG 87 1HB ARG 87 5.991 -3.856 -2.255 683 HG2 ARG 87 2HG ARG 87 6.609 -5.154 -0.333 684 HG3 ARG 87 1HG ARG 87 7.210 -3.513 -0.094 685 HD2 ARG 87 2HD ARG 87 4.816 -3.275 1.078 686 HD3 ARG 87 1HD ARG 87 5.087 -4.996 1.344 687 HE ARG 87 HE ARG 87 7.342 -3.429 2.052 688 HH11 ARG 87 1HH1 ARG 87 4.226 -4.582 3.206 689 HH12 ARG 87 2HH1 ARG 87 4.487 -4.212 4.838 690 HH21 ARG 87 1HH2 ARG 87 7.738 -2.827 4.341 691 HH22 ARG 87 2HH2 ARG 87 6.555 -3.194 5.500 692 H ASP 88 H ASP 88 2.948 -1.655 -2.327 693 HA ASP 88 HA ASP 88 3.748 -1.287 -5.039 694 HB2 ASP 88 2HB ASP 88 1.414 -1.941 -4.085 695 HB3 ASP 88 1HB ASP 88 1.191 -0.219 -3.839 696 H LEU 89 H LEU 89 2.856 0.890 -2.378 697 HA LEU 89 HA LEU 89 3.192 3.297 -3.802 698 HB2 LEU 89 2HB LEU 89 1.971 2.818 -1.554 699 HB3 LEU 89 1HB LEU 89 3.535 2.987 -0.812 700 HG LEU 89 HG LEU 89 2.150 5.001 -0.545 701 HD11 LEU 89 1HD1 LEU 89 4.528 5.347 -0.560 702 HD12 LEU 89 2HD1 LEU 89 3.689 6.705 -1.317 703 HD13 LEU 89 3HD1 LEU 89 4.503 5.502 -2.318 704 HD21 LEU 89 3HD2 LEU 89 2.243 5.203 -3.546 705 HD22 LEU 89 1HD2 LEU 89 1.591 6.420 -2.450 706 HD23 LEU 89 2HD2 LEU 89 0.822 4.838 -2.566 707 H ALA 90 H ALA 90 5.357 1.212 -2.006 708 HA ALA 90 HA ALA 90 7.601 2.922 -1.901 709 HB1 ALA 90 1HB ALA 90 7.576 -0.093 -2.041 710 HB2 ALA 90 2HB ALA 90 7.440 0.873 -0.570 711 HB3 ALA 90 3HB ALA 90 8.930 0.909 -1.512 712 H ASP 91 H ASP 91 6.499 0.648 -4.340 713 HA ASP 91 HA ASP 91 8.787 1.100 -6.036 714 HB2 ASP 91 2HB ASP 91 7.420 -1.016 -6.145 715 HB3 ASP 91 1HB ASP 91 6.117 -0.064 -6.853 716 H TYR 92 H TYR 92 5.569 2.370 -5.729 717 HA TYR 92 HA TYR 92 5.435 4.060 -7.920 718 HB2 TYR 92 2HB TYR 92 4.170 3.883 -5.337 719 HB3 TYR 92 1HB TYR 92 4.412 5.561 -5.795 720 HD1 TYR 92 2HD TYR 92 3.533 6.257 -8.097 721 HD2 TYR 92 1HD TYR 92 2.349 2.685 -6.136 722 HE1 TYR 92 2HE TYR 92 1.482 6.202 -9.460 723 HE2 TYR 92 1HE TYR 92 0.286 2.615 -7.490 724 HH TYR 92 HH TYR 92 -1.131 3.976 -8.825 725 H ILE 93 H ILE 93 6.659 4.895 -4.638 726 HA ILE 93 HA ILE 93 7.547 7.432 -5.382 727 HB ILE 93 HB ILE 93 9.021 7.498 -3.411 728 HG12 ILE 93 2HG1 ILE 93 8.266 4.596 -2.985 729 HG13 ILE 93 1HG1 ILE 93 9.836 5.155 -3.532 730 HG21 ILE 93 1HG2 ILE 93 6.664 7.968 -3.099 731 HG22 ILE 93 2HG2 ILE 93 7.326 7.157 -1.682 732 HG23 ILE 93 3HG2 ILE 93 6.351 6.255 -2.842 733 HD11 ILE 93 3HD1 ILE 93 9.853 4.602 -1.160 734 HD12 ILE 93 1HD1 ILE 93 8.591 5.797 -0.866 735 HD13 ILE 93 2HD1 ILE 93 10.186 6.313 -1.422 736 H GLN 94 H GLN 94 9.109 4.364 -5.781 737 HA GLN 94 HA GLN 94 11.632 5.347 -6.565 738 HB2 GLN 94 2HB GLN 94 10.165 2.921 -7.515 739 HB3 GLN 94 1HB GLN 94 11.842 3.314 -7.858 740 HG2 GLN 94 2HG GLN 94 10.590 2.667 -5.188 741 HG3 GLN 94 1HG GLN 94 11.740 1.684 -6.089 742 HE21 GLN 94 1HE2 GLN 94 11.876 2.686 -3.431 743 HE22 GLN 94 2HE2 GLN 94 13.309 3.636 -3.295 744 H GLU 95 H GLU 95 8.685 4.653 -8.412 745 HA GLU 95 HA GLU 95 9.624 5.202 -10.961 746 HB2 GLU 95 2HB GLU 95 6.905 5.426 -9.742 747 HB3 GLU 95 1HB GLU 95 7.170 5.584 -11.455 748 HG2 GLU 95 2HG GLU 95 8.164 3.274 -11.389 749 HG3 GLU 95 1HG GLU 95 7.617 3.182 -9.715 750 H GLN 96 H GLN 96 8.043 7.387 -8.565 751 HA GLN 96 HA GLN 96 8.361 9.548 -10.341 752 HB2 GLN 96 2HB GLN 96 7.443 9.340 -7.530 753 HB3 GLN 96 1HB GLN 96 7.652 10.893 -8.313 754 HG2 GLN 96 2HG GLN 96 5.492 10.455 -8.644 755 HG3 GLN 96 1HG GLN 96 6.139 9.824 -10.180 756 HE21 GLN 96 1HE2 GLN 96 4.612 8.323 -10.614 757 HE22 GLN 96 2HE2 GLN 96 4.237 7.023 -9.548 758 H GLY 97 H GLY 97 10.518 8.069 -8.227 759 HA2 GLY 97 2HA GLY 97 12.761 8.653 -8.025 760 HA3 GLY 97 1HA GLY 97 12.399 10.194 -8.790 761 H TRP 98 H TRP 98 10.819 8.843 -5.955 762 HA TRP 98 HA TRP 98 11.958 11.043 -4.380 763 HB2 TRP 98 2HB TRP 98 9.400 9.498 -3.887 764 HB3 TRP 98 1HB TRP 98 9.988 10.865 -2.954 765 HD1 TRP 98 HD TRP 98 10.708 12.713 -5.575 766 HE1 TRP 98 1HE TRP 98 8.756 13.802 -6.849 767 HE3 TRP 98 3HE TRP 98 6.911 9.700 -3.980 768 HZ2 TRP 98 2HZ TRP 98 5.974 13.458 -7.117 769 HZ3 TRP 98 3HZ TRP 98 4.625 10.153 -4.782 770 HH2 TRP 98 HH TRP 98 4.170 11.992 -6.318 771 H GLN 99 H GLN 99 11.930 10.425 -1.929 772 HA GLN 99 HA GLN 99 12.577 7.648 -1.392 773 HB2 GLN 99 2HB GLN 99 14.718 8.235 -0.290 774 HB3 GLN 99 1HB GLN 99 14.750 8.495 -2.022 775 HG2 GLN 99 2HG GLN 99 14.489 10.893 -1.688 776 HG3 GLN 99 1HG GLN 99 14.371 10.646 0.054 777 HE21 GLN 99 1HE2 GLN 99 16.329 12.156 -1.619 778 HE22 GLN 99 2HE2 GLN 99 17.863 11.545 -1.125 779 H THR 100 H THR 100 13.085 7.459 1.075 780 HA THR 100 HA THR 100 12.098 9.545 2.698 781 HB THR 100 HB THR 100 9.963 8.525 1.833 782 HG1 THR 100 1HG THR 100 9.410 9.286 3.624 783 HG21 THR 100 3HG2 THR 100 9.297 6.289 2.635 784 HG22 THR 100 1HG2 THR 100 10.894 6.068 3.345 785 HG23 THR 100 2HG2 THR 100 10.720 6.192 1.596 786 H TYR 101 H TYR 101 11.820 8.378 5.049 787 HA TYR 101 HA TYR 101 14.382 6.938 5.304 788 HB2 TYR 101 2HB TYR 101 12.775 8.313 7.479 789 HB3 TYR 101 1HB TYR 101 14.373 7.613 7.660 790 HD1 TYR 101 1HD TYR 101 16.180 8.671 5.959 791 HD2 TYR 101 2HD TYR 101 12.617 10.596 7.269 792 HE1 TYR 101 1HE TYR 101 17.183 10.874 5.462 793 HE2 TYR 101 2HE TYR 101 13.616 12.791 6.771 794 HH TYR 101 HH TYR 101 15.832 13.775 6.553 795 H GLY 102 H GLY 102 14.133 4.790 5.520 796 HA2 GLY 102 2HA GLY 102 13.393 3.015 6.995 797 HA3 GLY 102 1HA GLY 102 11.869 3.881 7.177 798 H ASP 103 H ASP 103 10.665 2.133 6.549 799 HA ASP 103 HA ASP 103 10.740 1.582 3.678 800 HB2 ASP 103 2HB ASP 103 11.285 -0.449 5.072 801 HB3 ASP 103 1HB ASP 103 9.732 -0.269 5.878 802 H VAL 104 H VAL 104 8.626 1.436 2.742 803 HA VAL 104 HA VAL 104 6.864 3.418 3.911 804 HB VAL 104 HB VAL 104 6.550 1.856 1.323 805 HG11 VAL 104 1HG1 VAL 104 4.952 3.605 0.689 806 HG12 VAL 104 2HG1 VAL 104 5.119 4.326 2.290 807 HG13 VAL 104 3HG1 VAL 104 4.419 2.715 2.117 808 HG21 VAL 104 3HG2 VAL 104 7.330 3.905 0.219 809 HG22 VAL 104 1HG2 VAL 104 8.558 3.236 1.293 810 HG23 VAL 104 2HG2 VAL 104 7.619 4.640 1.794 811 H VAL 105 H VAL 105 5.066 3.004 5.035 812 HA VAL 105 HA VAL 105 4.041 0.265 5.030 813 HB VAL 105 HB VAL 105 3.480 0.507 7.427 814 HG11 VAL 105 1HG1 VAL 105 5.746 0.340 8.351 815 HG12 VAL 105 2HG1 VAL 105 6.397 1.005 6.854 816 HG13 VAL 105 3HG1 VAL 105 5.587 -0.558 6.841 817 HG21 VAL 105 3HG2 VAL 105 4.996 3.120 7.278 818 HG22 VAL 105 1HG2 VAL 105 4.416 2.357 8.760 819 HG23 VAL 105 2HG2 VAL 105 3.266 2.939 7.556 820 H VAL 106 H VAL 106 1.771 0.054 5.347 821 HA VAL 106 HA VAL 106 0.232 2.519 5.046 822 HB VAL 106 HB VAL 106 -0.003 0.045 3.281 823 HG11 VAL 106 1HG1 VAL 106 -2.260 0.738 4.003 824 HG12 VAL 106 2HG1 VAL 106 -1.996 1.065 2.288 825 HG13 VAL 106 3HG1 VAL 106 -1.908 2.379 3.456 826 HG21 VAL 106 3HG2 VAL 106 0.262 1.632 1.462 827 HG22 VAL 106 1HG2 VAL 106 1.606 1.765 2.594 828 HG23 VAL 106 2HG2 VAL 106 0.318 2.968 2.609 829 H ARG 107 H ARG 107 -1.097 2.668 6.657 830 HA ARG 107 HA ARG 107 -2.185 0.213 7.868 831 HB2 ARG 107 2HB ARG 107 -0.544 1.265 9.281 832 HB3 ARG 107 1HB ARG 107 -1.364 2.813 9.119 833 HG2 ARG 107 2HG ARG 107 -3.293 1.866 10.341 834 HG3 ARG 107 1HG ARG 107 -2.379 0.368 10.554 835 HD2 ARG 107 2HD ARG 107 -1.438 3.077 11.497 836 HD3 ARG 107 1HD ARG 107 -2.280 1.917 12.517 837 HE ARG 107 HE ARG 107 -0.414 0.502 12.433 838 HH11 ARG 107 1HH1 ARG 107 0.273 3.492 10.650 839 HH12 ARG 107 2HH1 ARG 107 1.910 3.485 10.923 840 HH21 ARG 107 1HH2 ARG 107 1.837 0.464 12.861 841 HH22 ARG 107 2HH2 ARG 107 2.872 1.688 12.260 842 H PHE 108 H PHE 108 -4.298 0.209 8.297 843 HA PHE 108 HA PHE 108 -5.912 2.519 7.405 844 HB2 PHE 108 2HB PHE 108 -6.618 -0.430 7.442 845 HB3 PHE 108 1HB PHE 108 -7.742 0.853 7.027 846 HD1 PHE 108 1HD PHE 108 -4.599 -0.803 5.982 847 HD2 PHE 108 2HD PHE 108 -7.874 1.648 4.829 848 HE1 PHE 108 1HE PHE 108 -3.942 -1.042 3.617 849 HE2 PHE 108 2HE PHE 108 -7.215 1.430 2.469 850 HZ PHE 108 HZ PHE 108 -5.253 0.082 1.859 851 H GLU 109 H GLU 109 -7.547 3.249 8.774 852 HA GLU 109 HA GLU 109 -8.155 1.727 11.147 853 HB2 GLU 109 2HB GLU 109 -7.893 3.705 12.635 854 HB3 GLU 109 1HB GLU 109 -6.395 3.046 12.005 855 HG2 GLU 109 2HG GLU 109 -6.219 4.871 10.430 856 HG3 GLU 109 1HG GLU 109 -7.789 5.494 10.950 857 H GLN 110 H GLN 110 -9.859 2.987 12.481 858 HA GLN 110 HA GLN 110 -11.927 3.692 10.545 859 HB2 GLN 110 2HB GLN 110 -13.560 3.000 12.216 860 HB3 GLN 110 1HB GLN 110 -12.457 1.685 11.845 861 HG2 GLN 110 2HG GLN 110 -12.313 3.441 14.310 862 HG3 GLN 110 1HG GLN 110 -13.076 1.859 14.250 863 HE21 GLN 110 1HE2 GLN 110 -11.752 0.020 14.090 864 HE22 GLN 110 2HE2 GLN 110 -10.068 0.086 14.432 865 H SER 111 H SER 111 -13.476 5.281 11.159 866 HA SER 111 HA SER 111 -12.755 7.073 13.318 867 HB2 SER 111 2HB SER 111 -13.225 8.954 11.685 868 HB3 SER 111 1HB SER 111 -11.696 8.097 11.454 869 HG SER 111 HG SER 111 -13.049 6.763 9.922 870 H SER 112 H SER 112 -14.563 7.999 14.249 871 HA SER 112 HA SER 112 -17.087 6.871 13.543 872 HB2 SER 112 2HB SER 112 -17.764 8.340 15.556 873 HB3 SER 112 1HB SER 112 -16.664 6.991 15.850 874 HG SER 112 HG SER 112 -16.289 9.618 16.225 875 H ASN 113 H ASN 113 -15.353 9.804 13.044 876 HA ASN 113 HA ASN 113 -17.637 11.438 12.445 877 HB2 ASN 113 2HB ASN 113 -15.594 12.410 13.352 878 HB3 ASN 113 1HB ASN 113 -14.709 11.941 11.917 879 HD21 ASN 113 1HD2 ASN 113 -14.780 13.229 10.109 880 HD22 ASN 113 2HD2 ASN 113 -15.686 14.691 10.012 881 H LEU 114 H LEU 114 -15.494 9.454 10.591 882 HA LEU 114 HA LEU 114 -16.453 10.616 8.128 883 HB2 LEU 114 2HB LEU 114 -14.639 8.247 8.522 884 HB3 LEU 114 1HB LEU 114 -15.084 8.916 6.965 885 HG LEU 114 HG LEU 114 -13.411 10.212 9.107 886 HD11 LEU 114 1HD1 LEU 114 -12.238 8.586 7.754 887 HD12 LEU 114 2HD1 LEU 114 -11.688 10.218 7.372 888 HD13 LEU 114 3HD1 LEU 114 -12.798 9.383 6.285 889 HD21 LEU 114 3HD2 LEU 114 -14.439 11.388 6.530 890 HD22 LEU 114 1HD2 LEU 114 -13.191 12.111 7.550 891 HD23 LEU 114 2HD2 LEU 114 -14.829 11.915 8.167 892 H HIS 115 H HIS 115 -17.515 9.553 6.515 893 HA HIS 115 HA HIS 115 -19.531 7.760 7.561 894 HB2 HIS 115 2HB HIS 115 -19.463 9.384 5.016 895 HB3 HIS 115 1HB HIS 115 -20.809 8.379 5.518 896 HD1 HIS 115 1HD HIS 115 -22.336 9.338 7.409 897 HD2 HIS 115 2HD HIS 115 -19.160 11.791 6.354 898 HE1 HIS 115 1HE HIS 115 -22.803 11.578 8.451 899 H THR 116 H THR 116 -20.415 6.188 5.762 900 HA THR 116 HA THR 116 -18.309 4.464 4.982 901 HB THR 116 HB THR 116 -21.190 4.449 4.021 902 HG1 THR 116 1HG THR 116 -21.637 3.342 5.999 903 HG21 THR 116 3HG2 THR 116 -20.888 2.028 4.004 904 HG22 THR 116 1HG2 THR 116 -19.282 2.197 4.716 905 HG23 THR 116 2HG2 THR 116 -19.579 2.773 3.084 906 H GLY 117 H GLY 117 -17.277 4.399 2.938 907 HA2 GLY 117 2HA GLY 117 -16.795 5.021 0.773 908 HA3 GLY 117 1HA GLY 117 -18.314 5.909 0.714 909 H GLN 118 H GLN 118 -16.922 6.954 3.461 910 HA GLN 118 HA GLN 118 -15.795 9.322 2.180 911 HB2 GLN 118 2HB GLN 118 -17.646 9.619 3.756 912 HB3 GLN 118 1HB GLN 118 -16.747 8.739 4.980 913 HG2 GLN 118 2HG GLN 118 -16.562 10.984 5.526 914 HG3 GLN 118 1HG GLN 118 -15.015 10.536 4.802 915 HE21 GLN 118 1HE2 GLN 118 -17.958 12.265 4.380 916 HE22 GLN 118 2HE2 GLN 118 -17.445 13.224 3.065 917 H PHE 119 H PHE 119 -13.593 9.389 2.209 918 HA PHE 119 HA PHE 119 -12.247 7.960 4.350 919 HB2 PHE 119 2HB PHE 119 -10.786 6.760 2.845 920 HB3 PHE 119 1HB PHE 119 -12.458 6.377 2.496 921 HD1 PHE 119 1HD PHE 119 -13.551 7.462 0.474 922 HD2 PHE 119 2HD PHE 119 -9.374 7.576 1.219 923 HE1 PHE 119 1HE PHE 119 -13.149 7.992 -1.889 924 HE2 PHE 119 2HE PHE 119 -8.952 8.104 -1.098 925 HZ PHE 119 HZ PHE 119 -10.841 8.324 -2.696 926 H ARG 120 H ARG 120 -10.113 8.463 4.602 927 HA ARG 120 HA ARG 120 -8.943 10.641 3.139 928 HB2 ARG 120 2HB ARG 120 -9.681 10.806 6.044 929 HB3 ARG 120 1HB ARG 120 -8.148 11.491 5.531 930 HG2 ARG 120 2HG ARG 120 -10.836 12.266 4.395 931 HG3 ARG 120 1HG ARG 120 -9.979 13.154 5.654 932 HD2 ARG 120 2HD ARG 120 -8.954 12.640 2.848 933 HD3 ARG 120 1HD ARG 120 -9.619 14.161 3.435 934 HE ARG 120 HE ARG 120 -7.649 13.908 5.137 935 HH11 ARG 120 1HH1 ARG 120 -7.512 13.374 1.601 936 HH12 ARG 120 2HH1 ARG 120 -5.808 13.642 1.544 937 HH21 ARG 120 1HH2 ARG 120 -5.394 14.292 4.960 938 HH22 ARG 120 2HH2 ARG 120 -4.570 14.126 3.461 939 H ALA 121 H ALA 121 -6.753 10.528 3.166 940 HA ALA 121 HA ALA 121 -5.536 8.403 4.719 941 HB1 ALA 121 1HB ALA 121 -5.928 7.485 2.472 942 HB2 ALA 121 2HB ALA 121 -4.206 7.807 2.719 943 HB3 ALA 121 3HB ALA 121 -5.182 8.912 1.756 944 H ARG 122 H ARG 122 -3.578 9.056 5.434 945 HA ARG 122 HA ARG 122 -2.744 11.663 4.443 946 HB2 ARG 122 2HB ARG 122 -3.911 11.875 6.614 947 HB3 ARG 122 1HB ARG 122 -2.724 10.801 7.337 948 HG2 ARG 122 2HG ARG 122 -2.229 13.131 7.838 949 HG3 ARG 122 1HG ARG 122 -0.956 12.409 6.850 950 HD2 ARG 122 2HD ARG 122 -1.953 13.423 4.843 951 HD3 ARG 122 1HD ARG 122 -3.198 14.165 5.846 952 HE ARG 122 HE ARG 122 -1.031 15.095 6.982 953 HH11 ARG 122 1HH1 ARG 122 -1.798 14.838 3.500 954 HH12 ARG 122 2HH1 ARG 122 -0.897 16.224 3.084 955 HH21 ARG 122 1HH2 ARG 122 0.178 17.029 6.360 956 HH22 ARG 122 2HH2 ARG 122 0.260 17.465 4.719 957 H GLY 123 H GLY 123 -0.733 11.720 3.833 958 HA2 GLY 123 2HA GLY 123 1.019 9.521 4.609 959 HA3 GLY 123 1HA GLY 123 1.254 10.567 3.208 960 H THR 124 H THR 124 2.364 9.932 6.200 961 HA THR 124 HA THR 124 3.207 12.685 6.645 962 HB THR 124 HB THR 124 2.575 10.468 8.589 963 HG1 THR 124 1HG THR 124 1.250 12.723 7.616 964 HG21 THR 124 3HG2 THR 124 2.931 12.110 10.358 965 HG22 THR 124 1HG2 THR 124 3.364 13.328 9.148 966 HG23 THR 124 2HG2 THR 124 4.394 11.912 9.378 967 H VAL 125 H VAL 125 5.357 12.956 7.208 968 HA VAL 125 HA VAL 125 7.146 10.738 6.573 969 HB VAL 125 HB VAL 125 7.862 13.634 7.149 970 HG11 VAL 125 1HG1 VAL 125 9.483 11.416 5.912 971 HG12 VAL 125 2HG1 VAL 125 9.716 12.119 7.514 972 HG13 VAL 125 3HG1 VAL 125 10.004 13.092 6.071 973 HG21 VAL 125 3HG2 VAL 125 6.453 13.433 5.127 974 HG22 VAL 125 1HG2 VAL 125 7.626 12.301 4.453 975 HG23 VAL 125 2HG2 VAL 125 8.094 13.972 4.759 976 H ASN 126 H ASN 126 7.574 9.492 8.269 977 HA ASN 126 HA ASN 126 7.965 10.772 10.875 978 HB2 ASN 126 2HB ASN 126 6.224 9.039 10.926 979 HB3 ASN 126 1HB ASN 126 7.357 7.869 10.240 980 HD21 ASN 126 1HD2 ASN 126 7.310 6.470 12.014 981 HD22 ASN 126 2HD2 ASN 126 8.001 6.893 13.535 982 HA PRO 127 HA PRO 127 12.188 9.421 10.003 983 HB2 PRO 127 2HB PRO 127 13.445 11.468 11.174 984 HB3 PRO 127 1HB PRO 127 12.680 11.662 9.593 985 HG2 PRO 127 2HG PRO 127 11.766 12.597 12.265 986 HG3 PRO 127 1HG PRO 127 11.540 13.343 10.677 987 HD2 PRO 127 2HD PRO 127 9.655 11.787 12.086 988 HD3 PRO 127 1HD PRO 127 9.555 12.283 10.385 989 H ASP 128 H ASP 128 10.275 9.445 12.638 990 HA ASP 128 HA ASP 128 12.380 8.856 14.533 991 HB2 ASP 128 2HB ASP 128 10.704 10.460 15.340 992 HB3 ASP 128 1HB ASP 128 9.428 9.279 15.044 993 H VAL 129 H VAL 129 12.749 7.080 13.227 994 HA VAL 129 HA VAL 129 11.275 4.761 14.224 995 HB VAL 129 HB VAL 129 12.699 4.951 11.535 996 HG11 VAL 129 1HG1 VAL 129 12.809 2.722 12.457 997 HG12 VAL 129 2HG1 VAL 129 11.732 2.758 11.061 998 HG13 VAL 129 3HG1 VAL 129 11.060 2.707 12.694 999 HG21 VAL 129 3HG2 VAL 129 10.475 4.787 10.495 1000 HG22 VAL 129 1HG2 VAL 129 10.622 6.238 11.487 1001 HG23 VAL 129 2HG2 VAL 129 9.728 4.845 12.092 1002 H GLU 130 H GLU 130 12.620 3.622 15.526 1003 HA GLU 130 HA GLU 130 15.394 4.293 15.704 1004 HB2 GLU 130 2HB GLU 130 13.899 2.005 16.990 1005 HB3 GLU 130 1HB GLU 130 15.572 2.397 17.313 1006 HG2 GLU 130 2HG GLU 130 14.299 3.217 19.127 1007 HG3 GLU 130 1HG GLU 130 14.776 4.618 18.178 1008 H THR 131 H THR 131 17.148 3.079 15.084 1009 HA THR 131 HA THR 131 16.485 1.184 13.036 1010 HB THR 131 HB THR 131 18.186 2.928 12.489 1011 HG1 THR 131 1HG THR 131 19.844 0.802 12.243 1012 HG21 THR 131 3HG2 THR 131 20.489 2.734 13.393 1013 HG22 THR 131 1HG2 THR 131 19.920 1.498 14.513 1014 HG23 THR 131 2HG2 THR 131 19.327 3.154 14.652 1015 H HIS 132 H HIS 132 16.344 -0.824 13.456 1016 HA HIS 132 HA HIS 132 18.040 -2.156 15.339 1017 HB2 HIS 132 2HB HIS 132 16.257 -1.176 16.793 1018 HB3 HIS 132 1HB HIS 132 15.043 -1.980 15.812 1019 HD1 HIS 132 1HD HIS 132 14.099 -3.647 17.435 1020 HD2 HIS 132 2HD HIS 132 18.247 -3.640 17.408 1021 HE1 HIS 132 1HE HIS 132 14.809 -5.576 18.900 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -5.418 30.436 5.522 2 H2 MET 1 2HT MET 1 -4.396 30.219 4.224 3 H3 MET 1 3HT MET 1 -3.752 30.690 5.707 4 HA MET 1 HA MET 1 -3.268 28.405 5.330 5 HB2 MET 1 2HB MET 1 -3.852 29.066 7.645 6 HB3 MET 1 1HB MET 1 -5.534 28.662 7.332 7 HG2 MET 1 2HG MET 1 -4.861 26.324 6.931 8 HG3 MET 1 1HG MET 1 -3.203 26.761 7.331 9 HE1 MET 1 2HE MET 1 -4.669 24.374 8.735 10 HE2 MET 1 3HE MET 1 -4.252 24.637 10.427 11 HE3 MET 1 1HE MET 1 -3.042 24.887 9.168 12 H GLY 2 H GLY 2 -6.730 29.137 4.873 13 HA2 GLY 2 2HA GLY 2 -7.188 26.483 3.829 14 HA3 GLY 2 1HA GLY 2 -8.349 27.811 3.907 15 H SER 3 H SER 3 -8.137 26.315 1.602 16 HA SER 3 HA SER 3 -6.411 27.739 -0.197 17 HB2 SER 3 2HB SER 3 -8.650 25.794 -0.819 18 HB3 SER 3 1HB SER 3 -7.373 26.311 -1.922 19 HG SER 3 HG SER 3 -6.151 25.456 0.219 20 H GLN 4 H GLN 4 -9.961 27.234 -0.296 21 HA GLN 4 HA GLN 4 -11.732 28.520 -0.715 22 HB2 GLN 4 2HB GLN 4 -9.970 30.740 0.307 23 HB3 GLN 4 1HB GLN 4 -11.703 30.877 0.043 24 HG2 GLN 4 2HG GLN 4 -10.357 28.982 1.958 25 HG3 GLN 4 1HG GLN 4 -11.150 30.497 2.390 26 HE21 GLN 4 1HE2 GLN 4 -13.342 30.607 2.344 27 HE22 GLN 4 2HE2 GLN 4 -14.379 29.226 2.284 28 H LYS 5 H LYS 5 -9.145 28.740 -2.578 29 HA LYS 5 HA LYS 5 -9.777 30.962 -4.197 30 HB2 LYS 5 2HB LYS 5 -8.076 30.023 -5.769 31 HB3 LYS 5 1HB LYS 5 -7.489 30.278 -4.136 32 HG2 LYS 5 2HG LYS 5 -7.878 27.820 -3.727 33 HG3 LYS 5 1HG LYS 5 -8.191 27.665 -5.454 34 HD2 LYS 5 2HD LYS 5 -5.632 28.700 -4.213 35 HD3 LYS 5 1HD LYS 5 -5.864 27.089 -4.884 36 HE2 LYS 5 2HE LYS 5 -6.251 28.048 -7.089 37 HE3 LYS 5 1HE LYS 5 -6.085 29.675 -6.433 38 HZ1 LYS 5 3HZ LYS 5 -3.793 29.211 -5.908 39 HZ2 LYS 5 1HZ LYS 5 -4.070 28.915 -7.527 40 HZ3 LYS 5 2HZ LYS 5 -3.911 27.632 -6.444 41 H ARG 6 H ARG 6 -11.001 31.163 -5.877 42 HA ARG 6 HA ARG 6 -12.822 28.998 -6.431 43 HB2 ARG 6 2HB ARG 6 -12.806 31.836 -7.476 44 HB3 ARG 6 1HB ARG 6 -14.084 30.657 -7.740 45 HG2 ARG 6 2HG ARG 6 -14.546 30.594 -5.359 46 HG3 ARG 6 1HG ARG 6 -13.230 31.729 -5.058 47 HD2 ARG 6 2HD ARG 6 -15.314 32.933 -5.037 48 HD3 ARG 6 1HD ARG 6 -14.402 33.381 -6.475 49 HE ARG 6 HE ARG 6 -16.092 31.313 -7.207 50 HH11 ARG 6 1HH1 ARG 6 -16.394 34.657 -6.091 51 HH12 ARG 6 2HH1 ARG 6 -17.937 34.891 -6.787 52 HH21 ARG 6 1HH2 ARG 6 -18.148 31.671 -8.212 53 HH22 ARG 6 2HH2 ARG 6 -18.938 33.170 -8.052 54 H LEU 7 H LEU 7 -11.545 27.579 -7.520 55 HA LEU 7 HA LEU 7 -10.434 28.423 -10.055 56 HB2 LEU 7 2HB LEU 7 -10.435 25.732 -8.675 57 HB3 LEU 7 1HB LEU 7 -9.733 26.019 -10.251 58 HG LEU 7 HG LEU 7 -8.805 27.287 -7.672 59 HD11 LEU 7 1HD1 LEU 7 -8.307 24.907 -7.771 60 HD12 LEU 7 2HD1 LEU 7 -6.838 25.867 -7.948 61 HD13 LEU 7 3HD1 LEU 7 -7.573 25.115 -9.362 62 HD21 LEU 7 3HD2 LEU 7 -8.407 28.768 -9.564 63 HD22 LEU 7 1HD2 LEU 7 -7.705 27.434 -10.483 64 HD23 LEU 7 2HD2 LEU 7 -6.886 28.042 -9.052 65 H VAL 8 H VAL 8 -12.130 28.948 -11.219 66 HA VAL 8 HA VAL 8 -14.326 27.137 -11.477 67 HB VAL 8 HB VAL 8 -15.220 28.814 -13.173 68 HG11 VAL 8 1HG1 VAL 8 -14.489 29.866 -10.435 69 HG12 VAL 8 2HG1 VAL 8 -15.888 28.864 -10.821 70 HG13 VAL 8 3HG1 VAL 8 -15.771 30.500 -11.468 71 HG21 VAL 8 3HG2 VAL 8 -12.851 30.455 -12.236 72 HG22 VAL 8 1HG2 VAL 8 -14.168 31.033 -13.258 73 HG23 VAL 8 2HG2 VAL 8 -13.065 29.800 -13.861 74 H GLN 9 H GLN 9 -13.356 25.350 -12.197 75 HA GLN 9 HA GLN 9 -12.235 25.441 -14.903 76 HB2 GLN 9 2HB GLN 9 -11.815 23.405 -12.717 77 HB3 GLN 9 1HB GLN 9 -11.139 23.317 -14.335 78 HG2 GLN 9 2HG GLN 9 -9.872 25.361 -13.912 79 HG3 GLN 9 1HG GLN 9 -10.551 25.441 -12.288 80 HE21 GLN 9 1HE2 GLN 9 -7.792 25.191 -13.192 81 HE22 GLN 9 2HE2 GLN 9 -7.171 23.780 -12.413 82 H ARG 10 H ARG 10 -13.063 24.161 -16.415 83 HA ARG 10 HA ARG 10 -15.588 22.885 -15.869 84 HB2 ARG 10 2HB ARG 10 -13.996 23.300 -18.395 85 HB3 ARG 10 1HB ARG 10 -15.494 22.384 -18.358 86 HG2 ARG 10 2HG ARG 10 -16.718 24.333 -17.696 87 HG3 ARG 10 1HG ARG 10 -15.230 25.257 -17.511 88 HD2 ARG 10 2HD ARG 10 -14.801 25.137 -19.872 89 HD3 ARG 10 1HD ARG 10 -16.149 24.028 -20.102 90 HE ARG 10 HE ARG 10 -17.647 25.739 -19.692 91 HH11 ARG 10 1HH1 ARG 10 -14.304 26.945 -19.840 92 HH12 ARG 10 2HH1 ARG 10 -14.741 28.557 -20.127 93 HH21 ARG 10 1HH2 ARG 10 -18.246 27.948 -20.108 94 HH22 ARG 10 2HH2 ARG 10 -17.045 29.156 -20.247 95 H VAL 11 H VAL 11 -15.016 21.231 -14.582 96 HA VAL 11 HA VAL 11 -13.669 19.034 -15.916 97 HB VAL 11 HB VAL 11 -12.041 19.916 -14.348 98 HG11 VAL 11 1HG1 VAL 11 -13.457 21.163 -12.858 99 HG12 VAL 11 2HG1 VAL 11 -12.424 20.071 -11.934 100 HG13 VAL 11 3HG1 VAL 11 -14.121 19.670 -12.195 101 HG21 VAL 11 3HG2 VAL 11 -11.682 17.979 -12.846 102 HG22 VAL 11 1HG2 VAL 11 -12.052 17.507 -14.505 103 HG23 VAL 11 2HG2 VAL 11 -13.294 17.398 -13.260 104 H GLU 12 H GLU 12 -15.006 17.417 -16.129 105 HA GLU 12 HA GLU 12 -17.355 17.419 -14.486 106 HB2 GLU 12 2HB GLU 12 -18.122 15.564 -16.121 107 HB3 GLU 12 1HB GLU 12 -18.090 17.222 -16.668 108 HG2 GLU 12 2HG GLU 12 -17.305 15.779 -18.407 109 HG3 GLU 12 1HG GLU 12 -15.973 16.767 -17.843 110 H ARG 13 H ARG 13 -18.134 15.729 -13.315 111 HA ARG 13 HA ARG 13 -16.687 13.300 -13.101 112 HB2 ARG 13 2HB ARG 13 -16.088 13.453 -10.751 113 HB3 ARG 13 1HB ARG 13 -15.295 14.737 -11.640 114 HG2 ARG 13 2HG ARG 13 -16.980 16.324 -10.813 115 HG3 ARG 13 1HG ARG 13 -17.742 15.010 -9.912 116 HD2 ARG 13 2HD ARG 13 -15.603 14.645 -8.713 117 HD3 ARG 13 1HD ARG 13 -14.939 16.039 -9.560 118 HE ARG 13 HE ARG 13 -17.349 16.591 -8.147 119 HH11 ARG 13 1HH1 ARG 13 -13.831 16.395 -7.866 120 HH12 ARG 13 2HH1 ARG 13 -13.735 17.397 -6.483 121 HH21 ARG 13 1HH2 ARG 13 -17.195 18.005 -6.230 122 HH22 ARG 13 2HH2 ARG 13 -15.667 18.297 -5.543 123 H LYS 14 H LYS 14 -17.739 12.026 -11.174 124 HA LYS 14 HA LYS 14 -20.576 12.685 -10.965 125 HB2 LYS 14 2HB LYS 14 -19.415 10.024 -11.791 126 HB3 LYS 14 1HB LYS 14 -21.088 10.283 -11.348 127 HG2 LYS 14 2HG LYS 14 -21.407 11.695 -13.284 128 HG3 LYS 14 1HG LYS 14 -19.693 11.543 -13.691 129 HD2 LYS 14 2HD LYS 14 -19.950 9.138 -13.940 130 HD3 LYS 14 1HD LYS 14 -21.656 9.269 -13.511 131 HE2 LYS 14 2HE LYS 14 -22.088 10.578 -15.468 132 HE3 LYS 14 1HE LYS 14 -20.372 10.619 -15.871 133 HZ1 LYS 14 3HZ LYS 14 -22.070 8.190 -15.765 134 HZ2 LYS 14 1HZ LYS 14 -20.435 8.224 -16.170 135 HZ3 LYS 14 2HZ LYS 14 -21.556 8.966 -17.170 136 H LEU 15 H LEU 15 -21.520 11.119 -9.318 137 HA LEU 15 HA LEU 15 -19.679 10.673 -7.129 138 HB2 LEU 15 2HB LEU 15 -21.963 11.463 -6.658 139 HB3 LEU 15 1HB LEU 15 -22.631 10.064 -7.471 140 HG LEU 15 HG LEU 15 -21.689 8.613 -5.712 141 HD11 LEU 15 1HD1 LEU 15 -20.877 11.198 -4.402 142 HD12 LEU 15 2HD1 LEU 15 -19.793 9.953 -5.023 143 HD13 LEU 15 3HD1 LEU 15 -20.841 9.607 -3.646 144 HD21 LEU 15 3HD2 LEU 15 -23.418 10.866 -4.717 145 HD22 LEU 15 1HD2 LEU 15 -23.235 9.292 -3.944 146 HD23 LEU 15 2HD2 LEU 15 -23.976 9.409 -5.538 147 H GLU 16 H GLU 16 -21.691 8.960 -9.400 148 HA GLU 16 HA GLU 16 -20.331 6.482 -8.815 149 HB2 GLU 16 2HB GLU 16 -22.155 5.406 -10.150 150 HB3 GLU 16 1HB GLU 16 -22.738 6.248 -8.731 151 HG2 GLU 16 2HG GLU 16 -22.875 7.341 -11.555 152 HG3 GLU 16 1HG GLU 16 -24.187 6.492 -10.756 153 H GLN 17 H GLN 17 -18.401 7.063 -9.827 154 HA GLN 17 HA GLN 17 -18.546 7.768 -12.640 155 HB2 GLN 17 2HB GLN 17 -16.992 8.957 -11.038 156 HB3 GLN 17 1HB GLN 17 -16.049 7.475 -10.963 157 HG2 GLN 17 2HG GLN 17 -14.969 8.924 -12.499 158 HG3 GLN 17 1HG GLN 17 -15.749 7.656 -13.442 159 HE21 GLN 17 1HE2 GLN 17 -15.700 11.008 -12.674 160 HE22 GLN 17 2HE2 GLN 17 -16.842 11.527 -13.878 161 H THR 18 H THR 18 -17.678 5.183 -10.609 162 HA THR 18 HA THR 18 -16.509 3.621 -12.718 163 HB THR 18 HB THR 18 -17.245 2.804 -9.913 164 HG1 THR 18 1HG THR 18 -14.764 3.790 -10.916 165 HG21 THR 18 3HG2 THR 18 -15.480 1.144 -10.228 166 HG22 THR 18 1HG2 THR 18 -15.182 1.781 -11.853 167 HG23 THR 18 2HG2 THR 18 -16.724 1.008 -11.482 168 H VAL 19 H VAL 19 -17.683 2.327 -13.967 169 HA VAL 19 HA VAL 19 -20.463 1.816 -13.206 170 HB VAL 19 HB VAL 19 -19.329 1.759 -16.014 171 HG11 VAL 19 1HG1 VAL 19 -21.309 0.409 -15.750 172 HG12 VAL 19 2HG1 VAL 19 -21.686 1.851 -16.698 173 HG13 VAL 19 3HG1 VAL 19 -22.165 1.757 -15.004 174 HG21 VAL 19 3HG2 VAL 19 -20.882 3.961 -14.660 175 HG22 VAL 19 1HG2 VAL 19 -20.451 3.913 -16.371 176 HG23 VAL 19 2HG2 VAL 19 -19.186 4.023 -15.143 177 H GLY 20 H GLY 20 -20.414 -0.075 -12.219 178 HA2 GLY 20 2HA GLY 20 -20.510 -2.385 -12.101 179 HA3 GLY 20 1HA GLY 20 -19.952 -2.452 -13.769 180 H ASP 21 H ASP 21 -19.030 -2.641 -10.407 181 HA ASP 21 HA ASP 21 -16.547 -3.753 -11.062 182 HB2 ASP 21 2HB ASP 21 -15.952 -1.341 -11.206 183 HB3 ASP 21 1HB ASP 21 -16.605 -1.091 -9.595 184 H ALA 22 H ALA 22 -15.731 -4.693 -9.251 185 HA ALA 22 HA ALA 22 -17.565 -5.747 -7.415 186 HB1 ALA 22 1HB ALA 22 -15.482 -6.895 -8.061 187 HB2 ALA 22 2HB ALA 22 -15.672 -6.787 -6.310 188 HB3 ALA 22 3HB ALA 22 -14.565 -5.701 -7.146 189 H PHE 23 H PHE 23 -14.950 -3.448 -6.756 190 HA PHE 23 HA PHE 23 -15.796 -3.127 -4.062 191 HB2 PHE 23 2HB PHE 23 -13.882 -1.822 -5.852 192 HB3 PHE 23 1HB PHE 23 -14.183 -1.073 -4.266 193 HD1 PHE 23 1HD PHE 23 -13.801 -2.602 -2.224 194 HD2 PHE 23 2HD PHE 23 -12.342 -3.516 -6.107 195 HE1 PHE 23 1HE PHE 23 -12.159 -4.138 -1.237 196 HE2 PHE 23 2HE PHE 23 -10.694 -5.056 -5.128 197 HZ PHE 23 HZ PHE 23 -10.600 -5.373 -2.695 198 H ALA 24 H ALA 24 -16.326 -1.418 -7.022 199 HA ALA 24 HA ALA 24 -17.459 0.921 -6.016 200 HB1 ALA 24 1HB ALA 24 -18.524 1.215 -8.178 201 HB2 ALA 24 2HB ALA 24 -18.240 -0.476 -8.565 202 HB3 ALA 24 3HB ALA 24 -16.870 0.629 -8.375 203 H ARG 25 H ARG 25 -19.005 -2.227 -6.655 204 HA ARG 25 HA ARG 25 -21.573 -1.187 -5.935 205 HB2 ARG 25 2HB ARG 25 -22.435 -3.349 -6.390 206 HB3 ARG 25 1HB ARG 25 -21.242 -3.012 -7.627 207 HG2 ARG 25 2HG ARG 25 -19.626 -4.419 -6.427 208 HG3 ARG 25 1HG ARG 25 -20.864 -4.789 -5.225 209 HD2 ARG 25 2HD ARG 25 -20.845 -6.604 -6.745 210 HD3 ARG 25 1HD ARG 25 -22.274 -5.651 -7.135 211 HE ARG 25 HE ARG 25 -19.755 -5.644 -8.631 212 HH11 ARG 25 1HH1 ARG 25 -23.249 -4.993 -8.578 213 HH12 ARG 25 2HH1 ARG 25 -23.403 -4.950 -10.266 214 HH21 ARG 25 1HH2 ARG 25 -19.994 -5.627 -10.967 215 HH22 ARG 25 2HH2 ARG 25 -21.505 -5.331 -11.658 216 H ILE 26 H ILE 26 -18.963 -2.836 -4.316 217 HA ILE 26 HA ILE 26 -20.374 -3.747 -2.054 218 HB ILE 26 HB ILE 26 -17.450 -2.938 -2.289 219 HG12 ILE 26 2HG1 ILE 26 -18.744 -5.672 -2.243 220 HG13 ILE 26 1HG1 ILE 26 -18.150 -4.859 -3.689 221 HG21 ILE 26 1HG2 ILE 26 -18.819 -4.440 -0.054 222 HG22 ILE 26 2HG2 ILE 26 -18.167 -2.805 0.043 223 HG23 ILE 26 3HG2 ILE 26 -17.081 -4.174 -0.197 224 HD11 ILE 26 3HD1 ILE 26 -16.580 -6.534 -2.928 225 HD12 ILE 26 1HD1 ILE 26 -16.496 -5.770 -1.338 226 HD13 ILE 26 2HD1 ILE 26 -15.876 -4.925 -2.757 227 H PHE 27 H PHE 27 -18.563 -0.756 -2.596 228 HA PHE 27 HA PHE 27 -19.478 0.315 -0.085 229 HB2 PHE 27 2HB PHE 27 -18.001 1.630 -2.363 230 HB3 PHE 27 1HB PHE 27 -18.311 2.389 -0.809 231 HD1 PHE 27 1HD PHE 27 -17.413 1.093 1.274 232 HD2 PHE 27 2HD PHE 27 -16.097 0.483 -2.702 233 HE1 PHE 27 1HE PHE 27 -15.335 0.112 2.134 234 HE2 PHE 27 2HE PHE 27 -13.996 -0.512 -1.862 235 HZ PHE 27 HZ PHE 27 -13.617 -0.699 0.562 236 H GLY 28 H GLY 28 -20.435 0.418 -3.414 237 HA2 GLY 28 2HA GLY 28 -22.559 1.001 -4.180 238 HA3 GLY 28 1HA GLY 28 -22.849 1.846 -2.662 239 H GLY 29 H GLY 29 -20.774 3.499 -2.452 240 HA2 GLY 29 2HA GLY 29 -21.479 5.544 -4.324 241 HA3 GLY 29 1HA GLY 29 -20.409 5.708 -2.948 242 H SER 30 H SER 30 -19.698 3.196 -5.255 243 HA SER 30 HA SER 30 -18.266 2.990 -6.994 244 HB2 SER 30 2HB SER 30 -19.532 4.837 -7.973 245 HB3 SER 30 1HB SER 30 -18.545 6.014 -7.115 246 HG SER 30 HG SER 30 -16.784 4.760 -8.386 247 H ILE 31 H ILE 31 -17.344 3.368 -4.224 248 HA ILE 31 HA ILE 31 -14.796 4.669 -4.478 249 HB ILE 31 HB ILE 31 -15.849 2.912 -2.230 250 HG12 ILE 31 2HG1 ILE 31 -15.773 5.930 -2.473 251 HG13 ILE 31 1HG1 ILE 31 -17.217 4.932 -2.586 252 HG21 ILE 31 1HG2 ILE 31 -13.484 4.805 -2.294 253 HG22 ILE 31 2HG2 ILE 31 -13.402 3.045 -2.236 254 HG23 ILE 31 3HG2 ILE 31 -14.063 3.940 -0.870 255 HD11 ILE 31 3HD1 ILE 31 -16.906 4.237 -0.266 256 HD12 ILE 31 1HD1 ILE 31 -17.043 5.989 -0.422 257 HD13 ILE 31 2HD1 ILE 31 -15.462 5.247 -0.166 258 H VAL 32 H VAL 32 -13.108 3.749 -5.291 259 HA VAL 32 HA VAL 32 -12.902 0.829 -5.340 260 HB VAL 32 HB VAL 32 -11.703 1.124 -7.587 261 HG11 VAL 32 1HG1 VAL 32 -14.000 0.296 -7.485 262 HG12 VAL 32 2HG1 VAL 32 -13.750 1.321 -8.898 263 HG13 VAL 32 3HG1 VAL 32 -14.603 1.955 -7.487 264 HG21 VAL 32 3HG2 VAL 32 -12.984 3.852 -7.476 265 HG22 VAL 32 1HG2 VAL 32 -12.115 3.167 -8.849 266 HG23 VAL 32 2HG2 VAL 32 -11.256 3.539 -7.345 267 HA PRO 33 HA PRO 33 -8.807 1.278 -3.613 268 HB2 PRO 33 2HB PRO 33 -7.245 -0.200 -5.383 269 HB3 PRO 33 1HB PRO 33 -8.188 -0.890 -4.059 270 HG2 PRO 33 2HG PRO 33 -8.899 -0.644 -6.955 271 HG3 PRO 33 1HG PRO 33 -9.144 -2.014 -5.855 272 HD2 PRO 33 2HD PRO 33 -11.181 -0.423 -6.463 273 HD3 PRO 33 1HD PRO 33 -10.958 -0.994 -4.799 274 H GLN 34 H GLN 34 -9.336 2.037 -6.932 275 HA GLN 34 HA GLN 34 -6.938 3.344 -7.566 276 HB2 GLN 34 2HB GLN 34 -9.722 3.790 -8.656 277 HB3 GLN 34 1HB GLN 34 -8.257 4.482 -9.331 278 HG2 GLN 34 2HG GLN 34 -8.811 1.549 -9.073 279 HG3 GLN 34 1HG GLN 34 -8.985 2.500 -10.547 280 HE21 GLN 34 1HE2 GLN 34 -7.269 0.234 -9.967 281 HE22 GLN 34 2HE2 GLN 34 -5.648 0.757 -10.229 282 H GLU 35 H GLU 35 -9.841 4.425 -5.913 283 HA GLU 35 HA GLU 35 -9.408 7.206 -5.792 284 HB2 GLU 35 2HB GLU 35 -10.650 5.300 -3.798 285 HB3 GLU 35 1HB GLU 35 -10.713 7.044 -3.654 286 HG2 GLU 35 2HG GLU 35 -11.842 5.496 -5.959 287 HG3 GLU 35 1HG GLU 35 -12.768 6.017 -4.547 288 H VAL 36 H VAL 36 -8.392 4.538 -3.832 289 HA VAL 36 HA VAL 36 -7.185 5.970 -1.755 290 HB VAL 36 HB VAL 36 -6.592 3.142 -2.655 291 HG11 VAL 36 1HG1 VAL 36 -6.140 4.511 -0.017 292 HG12 VAL 36 2HG1 VAL 36 -4.895 4.000 -1.158 293 HG13 VAL 36 3HG1 VAL 36 -5.883 2.795 -0.332 294 HG21 VAL 36 3HG2 VAL 36 -8.224 2.456 -0.949 295 HG22 VAL 36 1HG2 VAL 36 -8.972 3.442 -2.208 296 HG23 VAL 36 2HG2 VAL 36 -8.600 4.150 -0.637 297 H GLU 37 H GLU 37 -5.690 4.237 -4.534 298 HA GLU 37 HA GLU 37 -3.110 5.157 -3.856 299 HB2 GLU 37 2HB GLU 37 -2.347 4.401 -6.056 300 HB3 GLU 37 1HB GLU 37 -3.333 3.187 -5.267 301 HG2 GLU 37 2HG GLU 37 -5.159 3.629 -6.690 302 HG3 GLU 37 1HG GLU 37 -4.390 5.073 -7.347 303 H ALA 38 H ALA 38 -5.604 6.546 -5.889 304 HA ALA 38 HA ALA 38 -4.091 8.533 -7.138 305 HB1 ALA 38 1HB ALA 38 -6.978 8.662 -6.260 306 HB2 ALA 38 2HB ALA 38 -6.399 8.005 -7.791 307 HB3 ALA 38 3HB ALA 38 -6.211 9.721 -7.438 308 H LEU 39 H LEU 39 -5.846 8.539 -4.061 309 HA LEU 39 HA LEU 39 -5.045 11.184 -3.429 310 HB2 LEU 39 2HB LEU 39 -7.065 10.134 -2.458 311 HB3 LEU 39 1HB LEU 39 -6.048 9.013 -1.580 312 HG LEU 39 HG LEU 39 -5.106 10.885 -0.277 313 HD11 LEU 39 1HD1 LEU 39 -5.325 12.672 -1.907 314 HD12 LEU 39 2HD1 LEU 39 -6.151 13.104 -0.410 315 HD13 LEU 39 3HD1 LEU 39 -7.081 12.573 -1.808 316 HD21 LEU 39 3HD2 LEU 39 -7.051 9.684 0.578 317 HD22 LEU 39 1HD2 LEU 39 -8.122 10.793 -0.280 318 HD23 LEU 39 2HD2 LEU 39 -7.108 11.387 1.035 319 H LEU 40 H LEU 40 -3.770 7.990 -2.672 320 HA LEU 40 HA LEU 40 -1.813 8.777 -0.824 321 HB2 LEU 40 2HB LEU 40 -1.787 6.433 -2.737 322 HB3 LEU 40 1HB LEU 40 -0.588 6.681 -1.486 323 HG LEU 40 HG LEU 40 -3.528 6.139 -1.096 324 HD11 LEU 40 1HD1 LEU 40 -1.085 4.489 -0.503 325 HD12 LEU 40 2HD1 LEU 40 -2.250 4.202 -1.799 326 HD13 LEU 40 3HD1 LEU 40 -2.747 4.049 -0.115 327 HD21 LEU 40 3HD2 LEU 40 -1.358 6.572 0.957 328 HD22 LEU 40 1HD2 LEU 40 -3.006 6.046 1.295 329 HD23 LEU 40 2HD2 LEU 40 -2.720 7.650 0.636 330 H ARG 41 H ARG 41 -1.530 8.444 -4.352 331 HA ARG 41 HA ARG 41 1.191 9.289 -4.302 332 HB2 ARG 41 2HB ARG 41 1.060 9.416 -6.751 333 HB3 ARG 41 1HB ARG 41 0.394 7.909 -6.153 334 HG2 ARG 41 2HG ARG 41 -1.859 8.779 -6.459 335 HG3 ARG 41 1HG ARG 41 -1.190 10.304 -7.054 336 HD2 ARG 41 2HD ARG 41 -0.811 7.585 -8.290 337 HD3 ARG 41 1HD ARG 41 -1.904 8.842 -8.871 338 HE ARG 41 HE ARG 41 0.740 9.829 -8.692 339 HH11 ARG 41 1HH1 ARG 41 -1.241 7.674 -10.684 340 HH12 ARG 41 2HH1 ARG 41 -0.388 8.015 -12.119 341 HH21 ARG 41 1HH2 ARG 41 1.897 10.276 -10.627 342 HH22 ARG 41 2HH2 ARG 41 1.447 9.529 -12.094 343 H ARG 42 H ARG 42 -1.843 10.968 -4.570 344 HA ARG 42 HA ARG 42 -0.800 13.476 -5.392 345 HB2 ARG 42 2HB ARG 42 -3.190 12.863 -5.560 346 HB3 ARG 42 1HB ARG 42 -3.289 12.794 -3.816 347 HG2 ARG 42 2HG ARG 42 -2.964 15.175 -3.650 348 HG3 ARG 42 1HG ARG 42 -2.702 15.289 -5.397 349 HD2 ARG 42 2HD ARG 42 -4.945 14.504 -5.823 350 HD3 ARG 42 1HD ARG 42 -5.224 14.255 -4.106 351 HE ARG 42 HE ARG 42 -4.603 16.875 -4.276 352 HH11 ARG 42 1HH1 ARG 42 -6.923 14.886 -6.086 353 HH12 ARG 42 2HH1 ARG 42 -8.147 16.055 -6.127 354 HH21 ARG 42 1HH2 ARG 42 -6.294 18.531 -4.359 355 HH22 ARG 42 2HH2 ARG 42 -7.778 18.192 -5.114 356 H GLU 43 H GLU 43 -1.465 11.997 -2.286 357 HA GLU 43 HA GLU 43 -0.682 14.125 -0.606 358 HB2 GLU 43 2HB GLU 43 -1.993 12.165 0.151 359 HB3 GLU 43 1HB GLU 43 -0.623 11.122 -0.176 360 HG2 GLU 43 2HG GLU 43 -0.615 11.397 2.124 361 HG3 GLU 43 1HG GLU 43 0.621 12.510 1.552 362 H ALA 44 H ALA 44 1.051 11.353 -1.938 363 HA ALA 44 HA ALA 44 3.543 11.828 -0.779 364 HB1 ALA 44 1HB ALA 44 2.958 9.732 -1.912 365 HB2 ALA 44 2HB ALA 44 4.452 10.412 -2.552 366 HB3 ALA 44 3HB ALA 44 2.948 10.576 -3.461 367 H ALA 45 H ALA 45 2.264 12.827 -3.924 368 HA ALA 45 HA ALA 45 4.548 14.175 -4.805 369 HB1 ALA 45 1HB ALA 45 3.144 15.129 -6.527 370 HB2 ALA 45 2HB ALA 45 1.696 14.673 -5.632 371 HB3 ALA 45 3HB ALA 45 2.753 13.425 -6.294 372 H ASP 46 H ASP 46 1.900 15.308 -2.754 373 HA ASP 46 HA ASP 46 3.033 17.992 -2.988 374 HB2 ASP 46 2HB ASP 46 0.528 17.675 -3.057 375 HB3 ASP 46 1HB ASP 46 0.612 17.175 -1.376 376 H GLY 47 H GLY 47 3.344 15.284 -1.064 377 HA2 GLY 47 2HA GLY 47 4.100 16.722 1.364 378 HA3 GLY 47 1HA GLY 47 3.994 14.979 1.167 379 H ILE 48 H ILE 48 5.501 16.123 -1.443 380 HA ILE 48 HA ILE 48 8.007 15.092 -1.016 381 HB ILE 48 HB ILE 48 6.926 17.156 -2.908 382 HG12 ILE 48 2HG1 ILE 48 6.125 14.912 -3.263 383 HG13 ILE 48 1HG1 ILE 48 7.198 15.370 -4.579 384 HG21 ILE 48 1HG2 ILE 48 9.245 17.716 -2.637 385 HG22 ILE 48 2HG2 ILE 48 8.922 17.028 -4.233 386 HG23 ILE 48 3HG2 ILE 48 9.690 16.037 -2.977 387 HD11 ILE 48 3HD1 ILE 48 7.847 13.538 -2.272 388 HD12 ILE 48 1HD1 ILE 48 9.005 14.082 -3.493 389 HD13 ILE 48 2HD1 ILE 48 7.623 13.105 -3.962 390 H GLN 49 H GLN 49 9.717 15.751 0.019 391 HA GLN 49 HA GLN 49 9.773 18.465 1.120 392 HB2 GLN 49 2HB GLN 49 9.873 16.418 2.665 393 HB3 GLN 49 1HB GLN 49 11.399 16.061 1.902 394 HG2 GLN 49 2HG GLN 49 12.343 18.149 2.648 395 HG3 GLN 49 1HG GLN 49 10.822 18.559 3.444 396 HE21 GLN 49 1HE2 GLN 49 10.260 17.463 5.337 397 HE22 GLN 49 2HE2 GLN 49 11.379 16.523 6.241 398 H SER 50 H SER 50 11.436 19.770 0.508 399 HA SER 50 HA SER 50 13.009 19.029 -1.723 400 HB2 SER 50 2HB SER 50 12.210 21.370 -1.260 401 HB3 SER 50 1HB SER 50 13.301 21.432 0.118 402 HG SER 50 HG SER 50 14.347 20.817 -2.442 403 H LEU 51 H LEU 51 14.823 17.998 -1.666 404 HA LEU 51 HA LEU 51 16.388 17.803 0.808 405 HB2 LEU 51 2HB LEU 51 14.870 15.781 0.095 406 HB3 LEU 51 1HB LEU 51 16.030 15.561 -1.191 407 HG LEU 51 HG LEU 51 17.808 15.269 0.596 408 HD11 LEU 51 1HD1 LEU 51 15.423 15.146 2.412 409 HD12 LEU 51 2HD1 LEU 51 16.684 16.376 2.421 410 HD13 LEU 51 3HD1 LEU 51 17.075 14.709 2.836 411 HD21 LEU 51 3HD2 LEU 51 17.151 12.975 1.103 412 HD22 LEU 51 1HD2 LEU 51 16.827 13.374 -0.583 413 HD23 LEU 51 2HD2 LEU 51 15.505 13.323 0.580 414 H GLN 52 H GLN 52 18.506 16.387 -0.339 415 HA GLN 52 HA GLN 52 20.025 18.236 -1.702 416 HB2 GLN 52 2HB GLN 52 20.253 15.231 -1.849 417 HB3 GLN 52 1HB GLN 52 21.520 16.377 -2.272 418 HG2 GLN 52 2HG GLN 52 21.568 17.161 0.044 419 HG3 GLN 52 1HG GLN 52 20.306 15.995 0.442 420 HE21 GLN 52 1HE2 GLN 52 22.974 16.240 1.504 421 HE22 GLN 52 2HE2 GLN 52 23.767 14.740 1.216 422 H GLY 53 H GLY 53 20.911 18.128 -3.907 423 HA2 GLY 53 2HA GLY 53 18.854 18.343 -5.823 424 HA3 GLY 53 1HA GLY 53 20.579 18.420 -6.142 425 H ASN 54 H ASN 54 20.478 15.634 -4.728 426 HA ASN 54 HA ASN 54 20.537 14.106 -7.095 427 HB2 ASN 54 2HB ASN 54 21.850 13.505 -5.085 428 HB3 ASN 54 1HB ASN 54 20.362 13.118 -4.235 429 HD21 ASN 54 1HD2 ASN 54 20.997 10.970 -3.902 430 HD22 ASN 54 2HD2 ASN 54 21.046 9.823 -5.180 431 H ARG 55 H ARG 55 18.049 14.478 -4.484 432 HA ARG 55 HA ARG 55 15.972 13.877 -6.190 433 HB2 ARG 55 2HB ARG 55 15.208 11.713 -5.158 434 HB3 ARG 55 1HB ARG 55 16.576 11.621 -6.251 435 HG2 ARG 55 2HG ARG 55 18.073 11.565 -4.320 436 HG3 ARG 55 1HG ARG 55 16.670 11.539 -3.250 437 HD2 ARG 55 2HD ARG 55 17.568 9.273 -3.675 438 HD3 ARG 55 1HD ARG 55 15.904 9.467 -4.217 439 HE ARG 55 HE ARG 55 16.956 9.882 -6.486 440 HH11 ARG 55 1HH1 ARG 55 18.518 7.760 -4.101 441 HH12 ARG 55 2HH1 ARG 55 19.163 6.714 -5.272 442 HH21 ARG 55 1HH2 ARG 55 17.840 8.461 -8.073 443 HH22 ARG 55 2HH2 ARG 55 18.778 7.126 -7.579 444 H LEU 56 H LEU 56 13.950 13.468 -5.058 445 HA LEU 56 HA LEU 56 13.663 15.321 -2.820 446 HB2 LEU 56 2HB LEU 56 11.673 14.020 -4.654 447 HB3 LEU 56 1HB LEU 56 11.344 15.255 -3.453 448 HG LEU 56 HG LEU 56 13.167 15.667 -5.810 449 HD11 LEU 56 1HD1 LEU 56 10.910 15.273 -6.603 450 HD12 LEU 56 2HD1 LEU 56 11.345 16.974 -6.781 451 HD13 LEU 56 3HD1 LEU 56 10.284 16.471 -5.472 452 HD21 LEU 56 3HD2 LEU 56 11.970 17.568 -3.794 453 HD22 LEU 56 1HD2 LEU 56 12.875 18.051 -5.232 454 HD23 LEU 56 2HD2 LEU 56 13.670 17.119 -3.971 455 H LEU 57 H LEU 57 12.408 14.831 -0.987 456 HA LEU 57 HA LEU 57 12.491 11.998 -0.308 457 HB2 LEU 57 2HB LEU 57 13.611 13.745 1.147 458 HB3 LEU 57 1HB LEU 57 12.014 14.384 1.451 459 HG LEU 57 HG LEU 57 11.373 12.240 2.493 460 HD11 LEU 57 1HD1 LEU 57 13.121 10.648 3.063 461 HD12 LEU 57 2HD1 LEU 57 14.291 11.598 2.158 462 HD13 LEU 57 3HD1 LEU 57 12.959 10.813 1.313 463 HD21 LEU 57 3HD2 LEU 57 12.143 14.103 3.857 464 HD22 LEU 57 1HD2 LEU 57 13.813 13.579 3.651 465 HD23 LEU 57 2HD2 LEU 57 12.676 12.567 4.540 466 H ALA 58 H ALA 58 10.628 10.910 -0.038 467 HA ALA 58 HA ALA 58 8.118 12.404 -0.273 468 HB1 ALA 58 1HB ALA 58 8.775 9.590 -1.166 469 HB2 ALA 58 2HB ALA 58 8.605 10.996 -2.217 470 HB3 ALA 58 3HB ALA 58 7.207 10.379 -1.336 471 HA PRO 59 HA PRO 59 6.733 10.662 3.665 472 HB2 PRO 59 2HB PRO 59 4.164 10.067 2.320 473 HB3 PRO 59 1HB PRO 59 4.473 11.066 3.744 474 HG2 PRO 59 2HG PRO 59 3.831 12.192 1.434 475 HG3 PRO 59 1HG PRO 59 5.069 12.916 2.473 476 HD2 PRO 59 2HD PRO 59 5.418 11.248 0.009 477 HD3 PRO 59 1HD PRO 59 6.274 12.729 0.503 478 H ASN 60 H ASN 60 6.234 8.725 4.666 479 HA ASN 60 HA ASN 60 6.222 6.390 2.905 480 HB2 ASN 60 2HB ASN 60 7.792 5.188 4.352 481 HB3 ASN 60 1HB ASN 60 8.499 6.669 3.741 482 HD21 ASN 60 1HD2 ASN 60 9.103 5.022 6.068 483 HD22 ASN 60 2HD2 ASN 60 9.099 6.131 7.400 484 H GLU 61 H GLU 61 5.138 7.805 5.922 485 HA GLU 61 HA GLU 61 3.640 5.352 6.400 486 HB2 GLU 61 2HB GLU 61 4.686 6.162 8.441 487 HB3 GLU 61 1HB GLU 61 4.001 7.768 8.206 488 HG2 GLU 61 2HG GLU 61 1.766 6.932 8.564 489 HG3 GLU 61 1HG GLU 61 2.348 5.281 8.630 490 H TYR 62 H TYR 62 1.730 5.157 5.655 491 HA TYR 62 HA TYR 62 0.135 7.584 5.229 492 HB2 TYR 62 2HB TYR 62 0.192 5.085 3.538 493 HB3 TYR 62 1HB TYR 62 -0.978 6.384 3.349 494 HD1 TYR 62 1HD TYR 62 2.634 5.596 3.156 495 HD2 TYR 62 2HD TYR 62 -0.453 8.332 2.123 496 HE1 TYR 62 1HE TYR 62 4.201 6.824 1.731 497 HE2 TYR 62 2HE TYR 62 1.111 9.564 0.690 498 HH TYR 62 HH TYR 62 4.273 8.335 -0.017 499 H ILE 63 H ILE 63 -1.380 7.695 6.539 500 HA ILE 63 HA ILE 63 -2.518 5.275 7.729 501 HB ILE 63 HB ILE 63 -2.858 8.154 8.609 502 HG12 ILE 63 2HG1 ILE 63 -1.025 6.039 9.754 503 HG13 ILE 63 1HG1 ILE 63 -0.504 7.383 8.743 504 HG21 ILE 63 1HG2 ILE 63 -3.653 7.137 10.702 505 HG22 ILE 63 2HG2 ILE 63 -3.461 5.531 9.999 506 HG23 ILE 63 3HG2 ILE 63 -4.652 6.647 9.333 507 HD11 ILE 63 3HD1 ILE 63 -0.106 7.787 11.104 508 HD12 ILE 63 1HD1 ILE 63 -1.830 7.619 11.426 509 HD13 ILE 63 2HD1 ILE 63 -1.249 8.954 10.428 510 H ILE 64 H ILE 64 -4.190 4.625 6.561 511 HA ILE 64 HA ILE 64 -5.919 6.627 5.347 512 HB ILE 64 HB ILE 64 -5.792 3.641 4.855 513 HG12 ILE 64 2HG1 ILE 64 -4.641 5.895 3.190 514 HG13 ILE 64 1HG1 ILE 64 -3.694 4.858 4.248 515 HG21 ILE 64 1HG2 ILE 64 -7.125 4.193 2.858 516 HG22 ILE 64 2HG2 ILE 64 -7.128 5.894 3.333 517 HG23 ILE 64 3HG2 ILE 64 -7.943 4.697 4.340 518 HD11 ILE 64 3HD1 ILE 64 -3.498 4.150 1.965 519 HD12 ILE 64 1HD1 ILE 64 -5.252 3.993 1.832 520 HD13 ILE 64 2HD1 ILE 64 -4.349 2.931 2.910 521 H THR 65 H THR 65 -7.615 7.081 6.465 522 HA THR 65 HA THR 65 -8.600 5.109 8.359 523 HB THR 65 HB THR 65 -9.004 8.104 8.410 524 HG1 THR 65 1HG THR 65 -6.933 6.443 9.095 525 HG21 THR 65 3HG2 THR 65 -9.559 7.693 10.749 526 HG22 THR 65 1HG2 THR 65 -9.255 5.968 10.537 527 HG23 THR 65 2HG2 THR 65 -10.608 6.727 9.705 528 H LEU 66 H LEU 66 -10.371 4.220 7.864 529 HA LEU 66 HA LEU 66 -12.352 5.411 6.016 530 HB2 LEU 66 2HB LEU 66 -11.542 2.609 6.676 531 HB3 LEU 66 1HB LEU 66 -13.182 2.903 6.172 532 HG LEU 66 HG LEU 66 -11.828 2.091 4.330 533 HD11 LEU 66 1HD1 LEU 66 -12.617 4.940 4.007 534 HD12 LEU 66 2HD1 LEU 66 -13.633 3.523 3.783 535 HD13 LEU 66 3HD1 LEU 66 -12.277 3.820 2.689 536 HD21 LEU 66 3HD2 LEU 66 -10.146 4.555 4.716 537 HD22 LEU 66 1HD2 LEU 66 -10.000 3.399 3.392 538 HD23 LEU 66 2HD2 LEU 66 -9.640 2.897 5.047 539 H GLY 67 H GLY 67 -14.664 4.605 6.552 540 HA2 GLY 67 2HA GLY 67 -15.264 5.063 9.319 541 HA3 GLY 67 1HA GLY 67 -16.410 4.653 8.036 542 H VAL 68 H VAL 68 -16.648 3.376 10.482 543 HA VAL 68 HA VAL 68 -15.088 1.004 10.562 544 HB VAL 68 HB VAL 68 -16.113 1.883 12.588 545 HG11 VAL 68 1HG1 VAL 68 -18.228 2.679 11.809 546 HG12 VAL 68 2HG1 VAL 68 -18.508 1.507 13.095 547 HG13 VAL 68 3HG1 VAL 68 -18.749 1.044 11.410 548 HG21 VAL 68 3HG2 VAL 68 -16.996 -0.922 11.928 549 HG22 VAL 68 1HG2 VAL 68 -16.939 -0.245 13.554 550 HG23 VAL 68 2HG2 VAL 68 -15.452 -0.429 12.624 551 H HIS 69 H HIS 69 -18.106 1.774 9.062 552 HA HIS 69 HA HIS 69 -18.712 -0.957 8.468 553 HB2 HIS 69 2HB HIS 69 -20.471 0.815 8.650 554 HB3 HIS 69 1HB HIS 69 -19.864 1.517 7.158 555 HD1 HIS 69 1HD HIS 69 -21.826 -1.420 8.450 556 HD2 HIS 69 2HD HIS 69 -20.562 0.151 4.823 557 HE1 HIS 69 1HE HIS 69 -23.128 -2.620 6.674 558 H ASP 70 H ASP 70 -16.899 1.593 6.930 559 HA ASP 70 HA ASP 70 -16.706 0.241 4.408 560 HB2 ASP 70 2HB ASP 70 -14.952 2.385 5.603 561 HB3 ASP 70 1HB ASP 70 -14.830 1.801 3.943 562 H PHE 71 H PHE 71 -14.992 0.289 7.416 563 HA PHE 71 HA PHE 71 -12.599 -0.904 6.676 564 HB2 PHE 71 2HB PHE 71 -13.052 0.285 8.777 565 HB3 PHE 71 1HB PHE 71 -14.091 -1.029 9.295 566 HD1 PHE 71 1HD PHE 71 -10.648 -0.121 8.449 567 HD2 PHE 71 2HD PHE 71 -13.200 -2.911 10.343 568 HE1 PHE 71 1HE PHE 71 -8.679 -1.186 9.486 569 HE2 PHE 71 2HE PHE 71 -11.255 -4.010 11.395 570 HZ PHE 71 HZ PHE 71 -8.986 -3.139 10.969 571 H GLU 72 H GLU 72 -15.657 -2.323 7.821 572 HA GLU 72 HA GLU 72 -14.697 -4.980 7.785 573 HB2 GLU 72 2HB GLU 72 -17.009 -5.630 8.060 574 HB3 GLU 72 1HB GLU 72 -16.586 -4.239 9.074 575 HG2 GLU 72 2HG GLU 72 -17.755 -2.754 7.645 576 HG3 GLU 72 1HG GLU 72 -18.057 -4.038 6.476 577 H LYS 73 H LYS 73 -16.133 -2.930 5.443 578 HA LYS 73 HA LYS 73 -16.550 -4.926 3.445 579 HB2 LYS 73 2HB LYS 73 -16.295 -1.934 3.095 580 HB3 LYS 73 1HB LYS 73 -16.861 -3.059 1.873 581 HG2 LYS 73 2HG LYS 73 -18.210 -2.419 4.490 582 HG3 LYS 73 1HG LYS 73 -18.734 -1.921 2.884 583 HD2 LYS 73 2HD LYS 73 -19.128 -4.266 2.283 584 HD3 LYS 73 1HD LYS 73 -18.539 -4.765 3.872 585 HE2 LYS 73 2HE LYS 73 -20.352 -3.542 4.938 586 HE3 LYS 73 1HE LYS 73 -20.952 -3.029 3.368 587 HZ1 LYS 73 3HZ LYS 73 -20.789 -5.818 4.358 588 HZ2 LYS 73 1HZ LYS 73 -21.336 -5.385 2.833 589 HZ3 LYS 73 2HZ LYS 73 -22.197 -4.914 4.196 590 H LEU 74 H LEU 74 -13.853 -3.022 4.435 591 HA LEU 74 HA LEU 74 -12.184 -3.516 2.182 592 HB2 LEU 74 2HB LEU 74 -11.405 -3.102 5.076 593 HB3 LEU 74 1HB LEU 74 -10.287 -3.086 3.732 594 HG LEU 74 HG LEU 74 -12.480 -1.072 4.234 595 HD11 LEU 74 1HD1 LEU 74 -9.483 -0.862 4.497 596 HD12 LEU 74 2HD1 LEU 74 -10.629 -0.932 5.830 597 HD13 LEU 74 3HD1 LEU 74 -10.632 0.453 4.736 598 HD21 LEU 74 3HD2 LEU 74 -11.456 0.188 2.405 599 HD22 LEU 74 1HD2 LEU 74 -12.034 -1.381 1.843 600 HD23 LEU 74 2HD2 LEU 74 -10.312 -1.129 2.132 601 H GLY 75 H GLY 75 -13.003 -5.240 5.091 602 HA2 GLY 75 2HA GLY 75 -13.156 -7.705 4.272 603 HA3 GLY 75 1HA GLY 75 -11.406 -7.514 4.232 604 H ALA 76 H ALA 76 -12.118 -9.416 5.780 605 HA ALA 76 HA ALA 76 -12.546 -8.482 8.474 606 HB1 ALA 76 1HB ALA 76 -12.275 -10.850 9.089 607 HB2 ALA 76 2HB ALA 76 -11.796 -11.202 7.428 608 HB3 ALA 76 3HB ALA 76 -13.438 -10.657 7.773 609 H ASP 77 H ASP 77 -10.027 -8.973 6.301 610 HA ASP 77 HA ASP 77 -8.069 -8.288 8.372 611 HB2 ASP 77 2HB ASP 77 -7.556 -10.054 5.947 612 HB3 ASP 77 1HB ASP 77 -6.319 -9.470 7.047 613 HA PRO 78 HA PRO 78 -8.378 -5.113 4.968 614 HB2 PRO 78 2HB PRO 78 -8.099 -3.244 7.236 615 HB3 PRO 78 1HB PRO 78 -9.301 -3.258 5.943 616 HG2 PRO 78 2HG PRO 78 -9.988 -3.946 8.420 617 HG3 PRO 78 1HG PRO 78 -10.637 -4.830 7.026 618 HD2 PRO 78 2HD PRO 78 -8.362 -5.575 8.835 619 HD3 PRO 78 1HD PRO 78 -9.725 -6.577 8.285 620 H GLU 79 H GLU 79 -6.318 -5.272 7.823 621 HA GLU 79 HA GLU 79 -4.311 -3.500 6.889 622 HB2 GLU 79 2HB GLU 79 -4.869 -4.304 9.314 623 HB3 GLU 79 1HB GLU 79 -3.788 -5.637 8.937 624 HG2 GLU 79 2HG GLU 79 -2.471 -4.055 10.063 625 HG3 GLU 79 1HG GLU 79 -2.061 -3.871 8.356 626 H LEU 80 H LEU 80 -5.073 -6.667 6.089 627 HA LEU 80 HA LEU 80 -2.494 -7.666 5.459 628 HB2 LEU 80 2HB LEU 80 -4.506 -9.080 5.813 629 HB3 LEU 80 1HB LEU 80 -5.176 -8.459 4.321 630 HG LEU 80 HG LEU 80 -3.347 -9.524 3.061 631 HD11 LEU 80 1HD1 LEU 80 -2.534 -10.578 5.761 632 HD12 LEU 80 2HD1 LEU 80 -1.594 -9.490 4.735 633 HD13 LEU 80 3HD1 LEU 80 -1.901 -11.149 4.223 634 HD21 LEU 80 3HD2 LEU 80 -5.437 -10.730 3.416 635 HD22 LEU 80 1HD2 LEU 80 -4.810 -11.380 4.930 636 HD23 LEU 80 2HD2 LEU 80 -4.064 -11.838 3.401 637 H LYS 81 H LYS 81 -4.931 -5.811 3.664 638 HA LYS 81 HA LYS 81 -3.318 -5.908 1.288 639 HB2 LYS 81 2HB LYS 81 -5.928 -4.554 1.906 640 HB3 LYS 81 1HB LYS 81 -5.086 -4.345 0.379 641 HG2 LYS 81 2HG LYS 81 -5.186 -6.805 0.042 642 HG3 LYS 81 1HG LYS 81 -6.154 -6.917 1.512 643 HD2 LYS 81 2HD LYS 81 -6.913 -5.159 -0.790 644 HD3 LYS 81 1HD LYS 81 -7.399 -6.860 -0.697 645 HE2 LYS 81 2HE LYS 81 -8.007 -4.835 1.454 646 HE3 LYS 81 1HE LYS 81 -9.097 -5.164 0.112 647 HZ1 LYS 81 3HZ LYS 81 -9.726 -6.458 2.013 648 HZ2 LYS 81 1HZ LYS 81 -8.194 -7.188 2.118 649 HZ3 LYS 81 2HZ LYS 81 -9.183 -7.452 0.788 650 H SER 82 H SER 82 -3.431 -3.995 4.076 651 HA SER 82 HA SER 82 -2.680 -1.498 3.142 652 HB2 SER 82 2HB SER 82 -1.796 -2.916 5.645 653 HB3 SER 82 1HB SER 82 -1.828 -1.174 5.370 654 HG SER 82 HG SER 82 -3.611 -1.922 6.535 655 H THR 83 H THR 83 -0.757 -4.380 3.899 656 HA THR 83 HA THR 83 1.748 -3.207 3.423 657 HB THR 83 HB THR 83 0.943 -6.125 3.244 658 HG1 THR 83 1HG THR 83 1.214 -4.319 5.339 659 HG21 THR 83 3HG2 THR 83 3.216 -5.640 2.405 660 HG22 THR 83 1HG2 THR 83 3.275 -6.536 3.922 661 HG23 THR 83 2HG2 THR 83 3.588 -4.800 3.915 662 H GLY 84 H GLY 84 -0.684 -4.634 1.365 663 HA2 GLY 84 2HA GLY 84 0.857 -5.005 -0.977 664 HA3 GLY 84 1HA GLY 84 -0.892 -4.784 -0.914 665 H PHE 85 H PHE 85 -1.143 -2.321 0.171 666 HA PHE 85 HA PHE 85 -0.456 -0.600 -1.964 667 HB2 PHE 85 2HB PHE 85 -1.788 -0.187 0.673 668 HB3 PHE 85 1HB PHE 85 -1.204 1.220 -0.208 669 HD1 PHE 85 1HD PHE 85 -3.595 -1.590 -0.276 670 HD2 PHE 85 2HD PHE 85 -2.248 1.967 -2.182 671 HE1 PHE 85 1HE PHE 85 -5.632 -1.557 -1.662 672 HE2 PHE 85 2HE PHE 85 -4.257 2.024 -3.558 673 HZ PHE 85 HZ PHE 85 -5.974 0.250 -3.311 674 H ALA 86 H ALA 86 1.014 -1.227 1.125 675 HA ALA 86 HA ALA 86 2.786 0.948 1.208 676 HB1 ALA 86 1HB ALA 86 2.427 -0.570 3.114 677 HB2 ALA 86 2HB ALA 86 4.141 -0.403 2.730 678 HB3 ALA 86 3HB ALA 86 3.265 -1.852 2.239 679 H ARG 87 H ARG 87 3.129 -2.234 -0.230 680 HA ARG 87 HA ARG 87 5.734 -1.827 -1.236 681 HB2 ARG 87 2HB ARG 87 4.814 -4.052 -0.931 682 HB3 ARG 87 1HB ARG 87 3.554 -3.724 -2.109 683 HG2 ARG 87 2HG ARG 87 5.230 -3.550 -3.868 684 HG3 ARG 87 1HG ARG 87 6.505 -3.855 -2.687 685 HD2 ARG 87 2HD ARG 87 5.578 -6.031 -2.219 686 HD3 ARG 87 1HD ARG 87 4.248 -5.738 -3.339 687 HE ARG 87 HE ARG 87 6.634 -5.358 -4.709 688 HH11 ARG 87 1HH1 ARG 87 4.938 -8.066 -3.182 689 HH12 ARG 87 2HH1 ARG 87 5.478 -9.219 -4.298 690 HH21 ARG 87 1HH2 ARG 87 7.399 -6.905 -6.210 691 HH22 ARG 87 2HH2 ARG 87 6.909 -8.532 -6.106 692 H ASP 88 H ASP 88 2.527 -1.447 -2.661 693 HA ASP 88 HA ASP 88 3.400 -0.787 -5.265 694 HB2 ASP 88 2HB ASP 88 1.086 -1.525 -4.714 695 HB3 ASP 88 1HB ASP 88 0.797 0.033 -3.948 696 H LEU 89 H LEU 89 2.718 1.210 -2.451 697 HA LEU 89 HA LEU 89 3.060 3.689 -3.778 698 HB2 LEU 89 2HB LEU 89 1.832 3.311 -1.592 699 HB3 LEU 89 1HB LEU 89 3.381 3.090 -0.823 700 HG LEU 89 HG LEU 89 2.340 5.299 -0.385 701 HD11 LEU 89 1HD1 LEU 89 4.287 6.709 -0.836 702 HD12 LEU 89 2HD1 LEU 89 4.947 5.440 -1.869 703 HD13 LEU 89 3HD1 LEU 89 4.719 5.146 -0.147 704 HD21 LEU 89 3HD2 LEU 89 1.229 5.630 -2.519 705 HD22 LEU 89 1HD2 LEU 89 2.788 5.800 -3.324 706 HD23 LEU 89 2HD2 LEU 89 2.272 6.999 -2.136 707 H ALA 90 H ALA 90 5.229 1.582 -1.916 708 HA ALA 90 HA ALA 90 7.518 3.206 -1.958 709 HB1 ALA 90 1HB ALA 90 7.363 0.185 -2.036 710 HB2 ALA 90 2HB ALA 90 7.337 1.179 -0.578 711 HB3 ALA 90 3HB ALA 90 8.782 1.132 -1.588 712 H ASP 91 H ASP 91 6.258 0.868 -4.179 713 HA ASP 91 HA ASP 91 8.268 0.881 -6.131 714 HB2 ASP 91 2HB ASP 91 6.380 -0.758 -5.993 715 HB3 ASP 91 1HB ASP 91 5.288 0.509 -6.525 716 H TYR 92 H TYR 92 5.209 2.690 -5.971 717 HA TYR 92 HA TYR 92 5.476 4.329 -8.175 718 HB2 TYR 92 2HB TYR 92 4.013 4.634 -5.617 719 HB3 TYR 92 1HB TYR 92 4.268 6.092 -6.558 720 HD1 TYR 92 1HD TYR 92 3.697 5.738 -9.165 721 HD2 TYR 92 2HD TYR 92 2.021 3.527 -5.945 722 HE1 TYR 92 1HE TYR 92 1.706 5.265 -10.535 723 HE2 TYR 92 2HE TYR 92 0.031 3.035 -7.309 724 HH TYR 92 HH TYR 92 -1.169 3.851 -9.251 725 H ILE 93 H ILE 93 6.546 5.155 -4.865 726 HA ILE 93 HA ILE 93 7.492 7.678 -5.671 727 HB ILE 93 HB ILE 93 8.696 7.833 -3.511 728 HG12 ILE 93 2HG1 ILE 93 7.669 5.015 -3.042 729 HG13 ILE 93 1HG1 ILE 93 9.348 5.444 -3.313 730 HG21 ILE 93 1HG2 ILE 93 6.699 7.745 -2.086 731 HG22 ILE 93 2HG2 ILE 93 5.870 6.808 -3.329 732 HG23 ILE 93 3HG2 ILE 93 6.349 8.468 -3.660 733 HD11 ILE 93 3HD1 ILE 93 9.350 6.747 -1.240 734 HD12 ILE 93 1HD1 ILE 93 8.896 5.067 -0.951 735 HD13 ILE 93 2HD1 ILE 93 7.659 6.324 -0.977 736 H GLN 94 H GLN 94 9.152 4.592 -5.519 737 HA GLN 94 HA GLN 94 11.697 5.740 -6.031 738 HB2 GLN 94 2HB GLN 94 10.682 2.942 -6.348 739 HB3 GLN 94 1HB GLN 94 12.350 3.412 -6.653 740 HG2 GLN 94 2HG GLN 94 12.435 4.251 -4.277 741 HG3 GLN 94 1HG GLN 94 10.826 3.582 -4.045 742 HE21 GLN 94 1HE2 GLN 94 13.251 2.951 -2.668 743 HE22 GLN 94 2HE2 GLN 94 13.561 1.278 -2.903 744 H GLU 95 H GLU 95 9.122 4.468 -8.036 745 HA GLU 95 HA GLU 95 10.487 4.509 -10.417 746 HB2 GLU 95 2HB GLU 95 7.607 4.703 -9.676 747 HB3 GLU 95 1HB GLU 95 8.049 4.781 -11.362 748 HG2 GLU 95 2HG GLU 95 8.720 2.548 -9.460 749 HG3 GLU 95 1HG GLU 95 7.400 2.526 -10.625 750 H GLN 96 H GLN 96 8.869 7.000 -8.614 751 HA GLN 96 HA GLN 96 8.984 8.991 -10.704 752 HB2 GLN 96 2HB GLN 96 8.539 9.417 -7.755 753 HB3 GLN 96 1HB GLN 96 8.153 10.538 -9.049 754 HG2 GLN 96 2HG GLN 96 6.846 7.889 -8.475 755 HG3 GLN 96 1HG GLN 96 6.139 9.489 -8.292 756 HE21 GLN 96 1HE2 GLN 96 5.385 7.126 -9.871 757 HE22 GLN 96 2HE2 GLN 96 5.232 7.660 -11.497 758 H GLY 97 H GLY 97 11.213 7.722 -8.536 759 HA2 GLY 97 2HA GLY 97 13.502 8.209 -8.601 760 HA3 GLY 97 1HA GLY 97 13.129 9.775 -9.306 761 H TRP 98 H TRP 98 11.324 8.779 -6.545 762 HA TRP 98 HA TRP 98 12.734 10.794 -4.947 763 HB2 TRP 98 2HB TRP 98 10.042 9.505 -4.412 764 HB3 TRP 98 1HB TRP 98 10.729 10.889 -3.581 765 HD1 TRP 98 HD TRP 98 11.553 12.450 -6.365 766 HE1 TRP 98 1HE TRP 98 9.658 13.582 -7.703 767 HE3 TRP 98 3HE TRP 98 7.567 9.909 -4.445 768 HZ2 TRP 98 2HZ TRP 98 6.859 13.446 -7.891 769 HZ3 TRP 98 3HZ TRP 98 5.306 10.480 -5.245 770 HH2 TRP 98 HH TRP 98 4.962 12.208 -6.932 771 H GLN 99 H GLN 99 12.685 10.182 -2.514 772 HA GLN 99 HA GLN 99 12.930 7.300 -2.080 773 HB2 GLN 99 2HB GLN 99 15.022 7.512 -0.879 774 HB3 GLN 99 1HB GLN 99 15.238 8.142 -2.501 775 HG2 GLN 99 2HG GLN 99 15.119 10.416 -1.679 776 HG3 GLN 99 1HG GLN 99 14.766 9.837 -0.053 777 HE21 GLN 99 1HE2 GLN 99 16.591 10.827 0.831 778 HE22 GLN 99 2HE2 GLN 99 18.176 10.216 0.529 779 H THR 100 H THR 100 13.225 6.948 0.393 780 HA THR 100 HA THR 100 12.197 9.100 1.975 781 HB THR 100 HB THR 100 10.170 7.859 1.109 782 HG1 THR 100 1HG THR 100 9.584 8.772 2.858 783 HG21 THR 100 3HG2 THR 100 11.253 5.611 2.831 784 HG22 THR 100 1HG2 THR 100 11.102 5.584 1.074 785 HG23 THR 100 2HG2 THR 100 9.658 5.648 2.083 786 H TYR 101 H TYR 101 12.114 8.217 4.359 787 HA TYR 101 HA TYR 101 14.493 6.538 4.710 788 HB2 TYR 101 2HB TYR 101 13.579 8.862 6.416 789 HB3 TYR 101 1HB TYR 101 14.843 7.734 6.896 790 HD1 TYR 101 1HD TYR 101 16.797 7.472 5.190 791 HD2 TYR 101 2HD TYR 101 14.171 10.801 5.313 792 HE1 TYR 101 1HE TYR 101 18.471 8.821 4.013 793 HE2 TYR 101 2HE TYR 101 15.843 12.165 4.131 794 HH TYR 101 HH TYR 101 18.662 10.772 2.711 795 H GLY 102 H GLY 102 14.110 4.713 5.606 796 HA2 GLY 102 2HA GLY 102 13.226 3.471 7.486 797 HA3 GLY 102 1HA GLY 102 11.796 4.496 7.394 798 H ASP 103 H ASP 103 10.426 2.739 7.129 799 HA ASP 103 HA ASP 103 10.602 1.518 4.469 800 HB2 ASP 103 2HB ASP 103 10.930 -0.145 6.291 801 HB3 ASP 103 1HB ASP 103 9.375 0.344 6.973 802 H VAL 104 H VAL 104 8.722 1.506 3.309 803 HA VAL 104 HA VAL 104 6.828 3.551 3.986 804 HB VAL 104 HB VAL 104 6.799 1.571 1.683 805 HG11 VAL 104 1HG1 VAL 104 4.575 2.494 2.141 806 HG12 VAL 104 2HG1 VAL 104 5.217 3.104 0.619 807 HG13 VAL 104 3HG1 VAL 104 5.231 4.131 2.054 808 HG21 VAL 104 3HG2 VAL 104 7.731 4.436 1.773 809 HG22 VAL 104 1HG2 VAL 104 7.648 3.427 0.332 810 HG23 VAL 104 2HG2 VAL 104 8.768 3.017 1.636 811 H VAL 105 H VAL 105 5.153 3.299 5.205 812 HA VAL 105 HA VAL 105 3.984 0.664 5.359 813 HB VAL 105 HB VAL 105 5.310 0.942 7.388 814 HG11 VAL 105 1HG1 VAL 105 5.446 3.349 7.527 815 HG12 VAL 105 2HG1 VAL 105 4.863 2.678 9.049 816 HG13 VAL 105 3HG1 VAL 105 3.732 3.447 7.933 817 HG21 VAL 105 3HG2 VAL 105 3.562 0.613 9.095 818 HG22 VAL 105 1HG2 VAL 105 3.229 -0.291 7.616 819 HG23 VAL 105 2HG2 VAL 105 2.356 1.205 7.950 820 H VAL 106 H VAL 106 2.027 0.636 4.819 821 HA VAL 106 HA VAL 106 0.407 3.060 5.026 822 HB VAL 106 HB VAL 106 0.202 0.767 3.022 823 HG11 VAL 106 1HG1 VAL 106 -1.428 3.292 3.228 824 HG12 VAL 106 2HG1 VAL 106 -1.991 1.654 3.566 825 HG13 VAL 106 3HG1 VAL 106 -1.528 2.107 1.925 826 HG21 VAL 106 3HG2 VAL 106 2.090 2.278 2.592 827 HG22 VAL 106 1HG2 VAL 106 0.989 3.644 2.534 828 HG23 VAL 106 2HG2 VAL 106 0.869 2.370 1.321 829 H ARG 107 H ARG 107 -1.502 2.791 6.102 830 HA ARG 107 HA ARG 107 -2.316 0.104 6.807 831 HB2 ARG 107 2HB ARG 107 -2.652 0.883 9.216 832 HB3 ARG 107 1HB ARG 107 -1.025 0.491 8.699 833 HG2 ARG 107 2HG ARG 107 -0.520 2.875 8.461 834 HG3 ARG 107 1HG ARG 107 -2.167 3.271 8.960 835 HD2 ARG 107 2HD ARG 107 -1.820 2.347 11.123 836 HD3 ARG 107 1HD ARG 107 -0.286 1.634 10.641 837 HE ARG 107 HE ARG 107 0.591 3.909 10.485 838 HH11 ARG 107 1HH1 ARG 107 -2.496 3.655 12.263 839 HH12 ARG 107 2HH1 ARG 107 -2.029 4.767 13.443 840 HH21 ARG 107 1HH2 ARG 107 1.176 5.457 12.073 841 HH22 ARG 107 2HH2 ARG 107 0.084 5.864 13.334 842 H PHE 108 H PHE 108 -4.394 -0.202 7.140 843 HA PHE 108 HA PHE 108 -6.196 2.054 6.527 844 HB2 PHE 108 2HB PHE 108 -6.478 -0.917 6.008 845 HB3 PHE 108 1HB PHE 108 -7.826 0.199 5.907 846 HD1 PHE 108 2HD PHE 108 -4.589 -0.738 4.391 847 HD2 PHE 108 1HD PHE 108 -8.176 1.503 3.973 848 HE1 PHE 108 2HE PHE 108 -4.078 -0.368 2.013 849 HE2 PHE 108 1HE PHE 108 -7.673 1.873 1.596 850 HZ PHE 108 HZ PHE 108 -5.617 0.929 0.616 851 H GLU 109 H GLU 109 -7.192 2.726 8.281 852 HA GLU 109 HA GLU 109 -8.144 0.735 10.160 853 HB2 GLU 109 2HB GLU 109 -7.453 2.246 12.062 854 HB3 GLU 109 1HB GLU 109 -6.155 1.402 11.236 855 HG2 GLU 109 2HG GLU 109 -5.732 3.492 9.945 856 HG3 GLU 109 1HG GLU 109 -6.910 4.299 10.986 857 H GLN 110 H GLN 110 -9.704 1.752 11.753 858 HA GLN 110 HA GLN 110 -11.377 3.453 10.112 859 HB2 GLN 110 2HB GLN 110 -13.336 2.592 11.448 860 HB3 GLN 110 1HB GLN 110 -12.572 1.482 10.334 861 HG2 GLN 110 2HG GLN 110 -13.222 0.373 12.395 862 HG3 GLN 110 1HG GLN 110 -11.472 0.366 12.174 863 HE21 GLN 110 1HE2 GLN 110 -14.127 1.703 14.037 864 HE22 GLN 110 2HE2 GLN 110 -13.165 2.232 15.353 865 H SER 111 H SER 111 -12.959 4.715 11.140 866 HA SER 111 HA SER 111 -12.152 5.918 13.672 867 HB2 SER 111 2HB SER 111 -11.377 7.383 11.826 868 HB3 SER 111 1HB SER 111 -13.003 7.377 11.143 869 HG SER 111 HG SER 111 -12.078 8.513 13.556 870 H SER 112 H SER 112 -13.941 6.410 14.928 871 HA SER 112 HA SER 112 -16.419 5.226 14.162 872 HB2 SER 112 2HB SER 112 -17.018 6.110 16.476 873 HB3 SER 112 1HB SER 112 -15.723 4.911 16.395 874 HG SER 112 HG SER 112 -15.302 6.795 17.705 875 H ASN 113 H ASN 113 -14.939 8.299 13.926 876 HA ASN 113 HA ASN 113 -17.337 9.847 13.962 877 HB2 ASN 113 2HB ASN 113 -14.472 10.459 13.298 878 HB3 ASN 113 1HB ASN 113 -15.759 11.651 13.202 879 HD21 ASN 113 1HD2 ASN 113 -16.694 12.353 15.116 880 HD22 ASN 113 2HD2 ASN 113 -15.949 12.156 16.653 881 H LEU 114 H LEU 114 -15.300 8.255 11.651 882 HA LEU 114 HA LEU 114 -16.395 9.678 9.419 883 HB2 LEU 114 2HB LEU 114 -14.616 7.257 9.531 884 HB3 LEU 114 1HB LEU 114 -15.172 7.985 8.041 885 HG LEU 114 HG LEU 114 -13.389 9.265 10.101 886 HD11 LEU 114 1HD1 LEU 114 -12.306 7.577 8.722 887 HD12 LEU 114 2HD1 LEU 114 -11.724 9.198 8.345 888 HD13 LEU 114 3HD1 LEU 114 -12.869 8.400 7.265 889 HD21 LEU 114 3HD2 LEU 114 -14.506 10.367 7.524 890 HD22 LEU 114 1HD2 LEU 114 -13.226 11.117 8.482 891 HD23 LEU 114 2HD2 LEU 114 -14.834 10.944 9.160 892 H HIS 115 H HIS 115 -17.968 9.143 8.151 893 HA HIS 115 HA HIS 115 -19.515 6.828 8.964 894 HB2 HIS 115 2HB HIS 115 -20.296 9.230 7.298 895 HB3 HIS 115 1HB HIS 115 -21.365 7.887 7.691 896 HD1 HIS 115 1HD HIS 115 -21.344 11.109 8.633 897 HD2 HIS 115 2HD HIS 115 -20.761 7.668 10.882 898 HE1 HIS 115 1HE HIS 115 -21.897 11.723 11.016 899 H THR 116 H THR 116 -20.551 5.581 7.235 900 HA THR 116 HA THR 116 -18.720 4.311 5.667 901 HB THR 116 HB THR 116 -21.660 4.499 5.062 902 HG1 THR 116 1HG THR 116 -21.888 2.886 6.628 903 HG21 THR 116 3HG2 THR 116 -20.360 3.201 3.494 904 HG22 THR 116 1HG2 THR 116 -21.347 2.128 4.480 905 HG23 THR 116 2HG2 THR 116 -19.617 2.285 4.807 906 H GLY 117 H GLY 117 -17.674 4.977 3.934 907 HA2 GLY 117 2HA GLY 117 -17.825 5.511 1.564 908 HA3 GLY 117 1HA GLY 117 -19.119 6.633 1.962 909 H GLN 118 H GLN 118 -16.928 7.020 4.312 910 HA GLN 118 HA GLN 118 -15.570 9.134 2.816 911 HB2 GLN 118 2HB GLN 118 -16.638 9.081 5.604 912 HB3 GLN 118 1HB GLN 118 -15.399 10.238 5.170 913 HG2 GLN 118 2HG GLN 118 -16.846 11.143 3.431 914 HG3 GLN 118 1HG GLN 118 -18.075 9.943 3.829 915 HE21 GLN 118 1HE2 GLN 118 -19.267 10.197 5.619 916 HE22 GLN 118 2HE2 GLN 118 -19.314 11.635 6.563 917 H PHE 119 H PHE 119 -13.470 9.018 2.644 918 HA PHE 119 HA PHE 119 -12.001 7.479 4.633 919 HB2 PHE 119 2HB PHE 119 -10.743 6.310 2.966 920 HB3 PHE 119 1HB PHE 119 -12.415 6.197 2.473 921 HD1 PHE 119 1HD PHE 119 -13.262 7.701 0.623 922 HD2 PHE 119 2HD PHE 119 -9.132 7.237 1.534 923 HE1 PHE 119 1HE PHE 119 -12.671 8.557 -1.607 924 HE2 PHE 119 2HE PHE 119 -8.535 8.092 -0.671 925 HZ PHE 119 HZ PHE 119 -10.303 8.759 -2.261 926 H ARG 120 H ARG 120 -9.911 8.202 4.936 927 HA ARG 120 HA ARG 120 -9.040 10.543 3.477 928 HB2 ARG 120 2HB ARG 120 -8.415 11.694 5.593 929 HB3 ARG 120 1HB ARG 120 -10.154 11.533 5.400 930 HG2 ARG 120 2HG ARG 120 -10.119 9.630 6.958 931 HG3 ARG 120 1HG ARG 120 -8.384 9.843 7.162 932 HD2 ARG 120 2HD ARG 120 -9.580 10.875 9.009 933 HD3 ARG 120 1HD ARG 120 -8.778 12.109 8.042 934 HE ARG 120 HE ARG 120 -11.422 11.743 7.139 935 HH11 ARG 120 1HH1 ARG 120 -9.657 13.174 9.860 936 HH12 ARG 120 2HH1 ARG 120 -10.837 14.326 10.221 937 HH21 ARG 120 1HH2 ARG 120 -13.064 13.292 7.626 938 HH22 ARG 120 2HH2 ARG 120 -12.888 14.385 8.914 939 H ALA 121 H ALA 121 -6.881 10.470 3.090 940 HA ALA 121 HA ALA 121 -5.358 8.430 4.542 941 HB1 ALA 121 1HB ALA 121 -5.782 7.737 2.221 942 HB2 ALA 121 2HB ALA 121 -4.069 8.067 2.494 943 HB3 ALA 121 3HB ALA 121 -5.067 9.246 1.644 944 H ARG 122 H ARG 122 -3.771 9.286 5.704 945 HA ARG 122 HA ARG 122 -2.816 11.936 5.038 946 HB2 ARG 122 2HB ARG 122 -3.966 11.366 7.195 947 HB3 ARG 122 1HB ARG 122 -2.596 10.331 7.549 948 HG2 ARG 122 2HG ARG 122 -2.272 12.348 8.685 949 HG3 ARG 122 1HG ARG 122 -1.151 12.332 7.323 950 HD2 ARG 122 2HD ARG 122 -3.833 13.560 6.988 951 HD3 ARG 122 1HD ARG 122 -2.598 14.407 7.889 952 HE ARG 122 HE ARG 122 -2.223 13.573 5.049 953 HH11 ARG 122 1HH1 ARG 122 -1.896 15.984 7.614 954 HH12 ARG 122 2HH1 ARG 122 -1.264 17.186 6.598 955 HH21 ARG 122 1HH2 ARG 122 -1.364 15.158 3.658 956 HH22 ARG 122 2HH2 ARG 122 -0.949 16.700 4.262 957 H GLY 123 H GLY 123 -0.837 11.883 4.165 958 HA2 GLY 123 2HA GLY 123 0.943 9.618 4.803 959 HA3 GLY 123 1HA GLY 123 1.038 10.576 3.329 960 H THR 124 H THR 124 2.719 9.987 5.895 961 HA THR 124 HA THR 124 3.759 12.709 6.039 962 HB THR 124 HB THR 124 2.346 12.355 8.059 963 HG1 THR 124 1HG THR 124 3.971 12.906 9.584 964 HG21 THR 124 3HG2 THR 124 4.263 10.097 8.685 965 HG22 THR 124 1HG2 THR 124 2.559 9.915 8.259 966 HG23 THR 124 2HG2 THR 124 3.014 10.713 9.765 967 H VAL 125 H VAL 125 6.005 12.704 6.965 968 HA VAL 125 HA VAL 125 7.459 10.379 5.910 969 HB VAL 125 HB VAL 125 8.602 13.090 6.658 970 HG11 VAL 125 1HG1 VAL 125 9.815 10.820 5.097 971 HG12 VAL 125 2HG1 VAL 125 10.242 11.316 6.731 972 HG13 VAL 125 3HG1 VAL 125 10.565 12.392 5.372 973 HG21 VAL 125 3HG2 VAL 125 8.698 13.658 4.325 974 HG22 VAL 125 1HG2 VAL 125 7.031 13.286 4.748 975 HG23 VAL 125 2HG2 VAL 125 8.018 12.111 3.858 976 H ASN 126 H ASN 126 7.791 8.934 7.462 977 HA ASN 126 HA ASN 126 8.709 9.906 10.064 978 HB2 ASN 126 2HB ASN 126 6.558 8.791 10.338 979 HB3 ASN 126 1HB ASN 126 7.139 7.389 9.446 980 HD21 ASN 126 1HD2 ASN 126 6.677 6.055 11.246 981 HD22 ASN 126 2HD2 ASN 126 7.699 6.041 12.635 982 HA PRO 127 HA PRO 127 12.323 7.801 8.329 983 HB2 PRO 127 2HB PRO 127 13.810 9.243 10.368 984 HB3 PRO 127 1HB PRO 127 13.912 9.396 8.612 985 HG2 PRO 127 2HG PRO 127 12.883 11.322 10.234 986 HG3 PRO 127 1HG PRO 127 12.372 11.102 8.547 987 HD2 PRO 127 2HD PRO 127 11.032 10.280 11.086 988 HD3 PRO 127 1HD PRO 127 10.336 10.906 9.570 989 H ASP 128 H ASP 128 11.175 7.987 11.585 990 HA ASP 128 HA ASP 128 13.128 6.058 12.460 991 HB2 ASP 128 2HB ASP 128 11.175 7.670 14.071 992 HB3 ASP 128 1HB ASP 128 11.971 6.256 14.750 993 H VAL 129 H VAL 129 12.210 4.767 10.900 994 HA VAL 129 HA VAL 129 10.230 2.992 12.127 995 HB VAL 129 HB VAL 129 11.276 2.972 9.272 996 HG11 VAL 129 1HG1 VAL 129 9.485 1.310 8.860 997 HG12 VAL 129 2HG1 VAL 129 9.077 1.359 10.579 998 HG13 VAL 129 3HG1 VAL 129 10.646 0.746 10.066 999 HG21 VAL 129 3HG2 VAL 129 8.581 3.840 10.319 1000 HG22 VAL 129 1HG2 VAL 129 9.023 3.721 8.617 1001 HG23 VAL 129 2HG2 VAL 129 9.830 4.895 9.655 1002 H GLU 130 H GLU 130 11.381 1.901 13.483 1003 HA GLU 130 HA GLU 130 14.120 1.254 13.083 1004 HB2 GLU 130 2HB GLU 130 12.187 0.346 15.198 1005 HB3 GLU 130 1HB GLU 130 13.941 0.179 15.261 1006 HG2 GLU 130 2HG GLU 130 14.254 2.512 15.397 1007 HG3 GLU 130 1HG GLU 130 12.574 2.839 14.988 1008 H THR 131 H THR 131 14.389 -0.029 11.463 1009 HA THR 131 HA THR 131 12.867 -2.468 11.132 1010 HB THR 131 HB THR 131 13.303 -1.087 9.148 1011 HG1 THR 131 1HG THR 131 14.954 -3.080 8.363 1012 HG21 THR 131 3HG2 THR 131 15.411 -0.060 9.815 1013 HG22 THR 131 1HG2 THR 131 15.583 -0.840 8.240 1014 HG23 THR 131 2HG2 THR 131 16.227 -1.618 9.688 1015 H HIS 132 H HIS 132 14.070 -4.487 10.719 1016 HA HIS 132 HA HIS 132 16.293 -4.783 12.563 1017 HB2 HIS 132 2HB HIS 132 14.415 -6.386 12.787 1018 HB3 HIS 132 1HB HIS 132 14.598 -6.851 11.104 1019 HD1 HIS 132 1HD HIS 132 16.219 -7.301 14.495 1020 HD2 HIS 132 2HD HIS 132 16.575 -8.712 10.600 1021 HE1 HIS 132 1HE HIS 132 17.763 -9.265 14.604 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -38.168 26.457 2.191 2 H2 MET 1 2HT MET 1 -37.753 28.060 2.521 3 H3 MET 1 3HT MET 1 -36.842 26.783 3.171 4 HA MET 1 HA MET 1 -37.125 27.383 0.319 5 HB2 MET 1 2HB MET 1 -34.785 28.084 0.370 6 HB3 MET 1 1HB MET 1 -35.724 29.069 1.471 7 HG2 MET 1 2HG MET 1 -33.994 26.741 2.300 8 HG3 MET 1 1HG MET 1 -33.487 28.427 2.333 9 HE1 MET 1 2HE MET 1 -33.867 27.424 6.114 10 HE2 MET 1 3HE MET 1 -32.766 27.985 4.854 11 HE3 MET 1 1HE MET 1 -33.388 26.338 4.811 12 H GLY 2 H GLY 2 -35.890 26.028 -1.023 13 HA2 GLY 2 2HA GLY 2 -34.376 23.850 -0.035 14 HA3 GLY 2 1HA GLY 2 -35.988 23.339 -0.516 15 H SER 3 H SER 3 -33.591 25.616 -1.798 16 HA SER 3 HA SER 3 -34.033 24.357 -4.396 17 HB2 SER 3 2HB SER 3 -33.045 27.156 -3.801 18 HB3 SER 3 1HB SER 3 -33.329 26.481 -5.409 19 HG SER 3 HG SER 3 -35.505 26.192 -4.805 20 H GLN 4 H GLN 4 -32.601 22.716 -3.970 21 HA GLN 4 HA GLN 4 -29.745 23.408 -3.819 22 HB2 GLN 4 2HB GLN 4 -31.315 20.972 -3.003 23 HB3 GLN 4 1HB GLN 4 -29.600 20.856 -3.317 24 HG2 GLN 4 2HG GLN 4 -30.195 21.033 -0.915 25 HG3 GLN 4 1HG GLN 4 -29.105 22.293 -1.471 26 HE21 GLN 4 1HE2 GLN 4 -29.739 24.362 -1.341 27 HE22 GLN 4 2HE2 GLN 4 -31.205 24.893 -0.612 28 H LYS 5 H LYS 5 -29.075 23.587 -5.936 29 HA LYS 5 HA LYS 5 -29.641 21.272 -7.620 30 HB2 LYS 5 2HB LYS 5 -29.787 24.108 -8.661 31 HB3 LYS 5 1HB LYS 5 -29.975 22.660 -9.608 32 HG2 LYS 5 2HG LYS 5 -32.176 23.261 -9.373 33 HG3 LYS 5 1HG LYS 5 -31.995 22.232 -7.957 34 HD2 LYS 5 2HD LYS 5 -33.145 24.251 -7.310 35 HD3 LYS 5 1HD LYS 5 -31.531 24.266 -6.599 36 HE2 LYS 5 2HE LYS 5 -32.110 26.467 -7.512 37 HE3 LYS 5 1HE LYS 5 -30.756 25.782 -8.396 38 HZ1 LYS 5 3HZ LYS 5 -32.395 25.051 -10.107 39 HZ2 LYS 5 1HZ LYS 5 -32.360 26.722 -9.948 40 HZ3 LYS 5 2HZ LYS 5 -33.596 25.818 -9.264 41 H ARG 6 H ARG 6 -28.086 20.772 -9.062 42 HA ARG 6 HA ARG 6 -25.658 22.396 -9.067 43 HB2 ARG 6 2HB ARG 6 -25.832 19.359 -9.057 44 HB3 ARG 6 1HB ARG 6 -24.364 20.273 -9.361 45 HG2 ARG 6 2HG ARG 6 -25.930 20.193 -6.781 46 HG3 ARG 6 1HG ARG 6 -24.384 19.408 -7.097 47 HD2 ARG 6 2HD ARG 6 -24.923 22.381 -7.044 48 HD3 ARG 6 1HD ARG 6 -24.052 21.449 -5.835 49 HE ARG 6 HE ARG 6 -22.519 20.937 -7.865 50 HH11 ARG 6 1HH1 ARG 6 -24.078 24.068 -7.134 51 HH12 ARG 6 2HH1 ARG 6 -22.862 24.985 -7.876 52 HH21 ARG 6 1HH2 ARG 6 -20.810 22.293 -8.874 53 HH22 ARG 6 2HH2 ARG 6 -21.017 23.985 -8.868 54 H LEU 7 H LEU 7 -26.050 23.349 -10.957 55 HA LEU 7 HA LEU 7 -27.367 21.939 -13.043 56 HB2 LEU 7 2HB LEU 7 -26.153 24.695 -13.005 57 HB3 LEU 7 1HB LEU 7 -26.861 24.000 -14.445 58 HG LEU 7 HG LEU 7 -29.023 23.785 -13.105 59 HD11 LEU 7 1HD1 LEU 7 -27.615 25.675 -11.251 60 HD12 LEU 7 2HD1 LEU 7 -28.145 24.037 -10.874 61 HD13 LEU 7 3HD1 LEU 7 -29.334 25.294 -11.222 62 HD21 LEU 7 3HD2 LEU 7 -28.734 25.434 -14.835 63 HD22 LEU 7 1HD2 LEU 7 -27.942 26.529 -13.705 64 HD23 LEU 7 2HD2 LEU 7 -29.643 26.121 -13.487 65 H VAL 8 H VAL 8 -26.300 20.287 -13.759 66 HA VAL 8 HA VAL 8 -23.666 20.743 -14.898 67 HB VAL 8 HB VAL 8 -23.841 18.797 -13.362 68 HG11 VAL 8 1HG1 VAL 8 -25.135 16.794 -13.947 69 HG12 VAL 8 2HG1 VAL 8 -25.893 17.692 -15.260 70 HG13 VAL 8 3HG1 VAL 8 -26.144 18.195 -13.588 71 HG21 VAL 8 3HG2 VAL 8 -22.914 17.043 -14.823 72 HG22 VAL 8 1HG2 VAL 8 -22.213 18.630 -15.142 73 HG23 VAL 8 2HG2 VAL 8 -23.429 17.966 -16.233 74 H GLN 9 H GLN 9 -23.465 20.866 -17.061 75 HA GLN 9 HA GLN 9 -25.977 20.760 -18.523 76 HB2 GLN 9 2HB GLN 9 -23.328 21.940 -19.354 77 HB3 GLN 9 1HB GLN 9 -24.814 22.024 -20.289 78 HG2 GLN 9 2HG GLN 9 -25.863 23.221 -18.357 79 HG3 GLN 9 1HG GLN 9 -24.267 23.283 -17.614 80 HE21 GLN 9 1HE2 GLN 9 -26.292 24.445 -20.115 81 HE22 GLN 9 2HE2 GLN 9 -25.317 25.756 -20.632 82 H ARG 10 H ARG 10 -23.547 18.747 -17.916 83 HA ARG 10 HA ARG 10 -23.596 17.413 -20.530 84 HB2 ARG 10 2HB ARG 10 -22.233 16.510 -17.988 85 HB3 ARG 10 1HB ARG 10 -21.958 15.910 -19.612 86 HG2 ARG 10 2HG ARG 10 -20.940 18.021 -20.229 87 HG3 ARG 10 1HG ARG 10 -21.257 18.653 -18.613 88 HD2 ARG 10 2HD ARG 10 -19.427 16.373 -19.368 89 HD3 ARG 10 1HD ARG 10 -18.986 17.937 -18.690 90 HE ARG 10 HE ARG 10 -20.515 15.873 -17.217 91 HH11 ARG 10 1HH1 ARG 10 -18.021 18.403 -17.209 92 HH12 ARG 10 2HH1 ARG 10 -17.650 18.213 -15.550 93 HH21 ARG 10 1HH2 ARG 10 -19.987 15.602 -14.997 94 HH22 ARG 10 2HH2 ARG 10 -18.841 16.605 -14.233 95 H VAL 11 H VAL 11 -24.844 15.586 -20.798 96 HA VAL 11 HA VAL 11 -26.418 14.817 -18.538 97 HB VAL 11 HB VAL 11 -27.631 14.839 -20.656 98 HG11 VAL 11 1HG1 VAL 11 -25.639 12.847 -21.692 99 HG12 VAL 11 2HG1 VAL 11 -25.855 14.512 -22.236 100 HG13 VAL 11 3HG1 VAL 11 -27.127 13.320 -22.511 101 HG21 VAL 11 3HG2 VAL 11 -28.365 13.156 -19.083 102 HG22 VAL 11 1HG2 VAL 11 -27.199 12.003 -19.734 103 HG23 VAL 11 2HG2 VAL 11 -28.546 12.551 -20.729 104 H GLU 12 H GLU 12 -25.093 14.091 -17.126 105 HA GLU 12 HA GLU 12 -22.828 12.598 -17.382 106 HB2 GLU 12 2HB GLU 12 -24.785 12.638 -15.094 107 HB3 GLU 12 1HB GLU 12 -23.161 11.969 -15.007 108 HG2 GLU 12 2HG GLU 12 -23.807 14.835 -15.661 109 HG3 GLU 12 1HG GLU 12 -23.325 14.243 -14.070 110 H ARG 13 H ARG 13 -22.588 10.851 -18.390 111 HA ARG 13 HA ARG 13 -24.394 8.865 -18.946 112 HB2 ARG 13 2HB ARG 13 -22.539 7.477 -19.650 113 HB3 ARG 13 1HB ARG 13 -22.247 9.122 -20.154 114 HG2 ARG 13 2HG ARG 13 -20.906 7.692 -17.834 115 HG3 ARG 13 1HG ARG 13 -20.183 8.021 -19.403 116 HD2 ARG 13 2HD ARG 13 -20.372 10.441 -18.936 117 HD3 ARG 13 1HD ARG 13 -21.032 10.066 -17.345 118 HE ARG 13 HE ARG 13 -18.399 9.070 -18.117 119 HH11 ARG 13 1HH1 ARG 13 -20.362 10.996 -15.858 120 HH12 ARG 13 2HH1 ARG 13 -19.033 11.521 -14.955 121 HH21 ARG 13 1HH2 ARG 13 -16.587 9.784 -16.840 122 HH22 ARG 13 2HH2 ARG 13 -16.821 10.815 -15.513 123 H LYS 14 H LYS 14 -25.368 7.449 -17.749 124 HA LYS 14 HA LYS 14 -24.352 6.988 -15.083 125 HB2 LYS 14 2HB LYS 14 -26.954 6.141 -16.366 126 HB3 LYS 14 1HB LYS 14 -26.511 5.824 -14.695 127 HG2 LYS 14 2HG LYS 14 -26.398 8.229 -14.258 128 HG3 LYS 14 1HG LYS 14 -26.857 8.554 -15.925 129 HD2 LYS 14 2HD LYS 14 -28.542 7.060 -13.913 130 HD3 LYS 14 1HD LYS 14 -28.747 8.754 -14.345 131 HE2 LYS 14 2HE LYS 14 -29.037 6.396 -16.214 132 HE3 LYS 14 1HE LYS 14 -30.355 7.324 -15.518 133 HZ1 LYS 14 3HZ LYS 14 -29.892 8.002 -17.772 134 HZ2 LYS 14 1HZ LYS 14 -28.308 8.378 -17.406 135 HZ3 LYS 14 2HZ LYS 14 -29.597 9.273 -16.757 136 H LEU 15 H LEU 15 -22.910 5.546 -14.928 137 HA LEU 15 HA LEU 15 -22.611 3.402 -16.771 138 HB2 LEU 15 2HB LEU 15 -20.659 4.340 -15.663 139 HB3 LEU 15 1HB LEU 15 -21.315 3.917 -14.094 140 HG LEU 15 HG LEU 15 -21.076 1.524 -14.639 141 HD11 LEU 15 1HD1 LEU 15 -21.311 1.599 -17.039 142 HD12 LEU 15 2HD1 LEU 15 -19.784 0.828 -16.601 143 HD13 LEU 15 3HD1 LEU 15 -19.797 2.488 -17.190 144 HD21 LEU 15 3HD2 LEU 15 -18.627 1.430 -14.541 145 HD22 LEU 15 1HD2 LEU 15 -19.282 2.659 -13.459 146 HD23 LEU 15 2HD2 LEU 15 -18.551 3.136 -14.989 147 H GLU 16 H GLU 16 -23.735 1.630 -16.776 148 HA GLU 16 HA GLU 16 -25.470 0.863 -14.680 149 HB2 GLU 16 2HB GLU 16 -25.787 0.338 -17.120 150 HB3 GLU 16 1HB GLU 16 -24.424 -0.762 -17.018 151 HG2 GLU 16 2HG GLU 16 -25.656 -2.145 -15.433 152 HG3 GLU 16 1HG GLU 16 -27.020 -1.030 -15.513 153 H GLN 17 H GLN 17 -24.505 0.430 -12.824 154 HA GLN 17 HA GLN 17 -21.913 -0.633 -12.561 155 HB2 GLN 17 2HB GLN 17 -24.137 -0.347 -10.538 156 HB3 GLN 17 1HB GLN 17 -22.473 -0.760 -10.148 157 HG2 GLN 17 2HG GLN 17 -21.695 1.364 -10.952 158 HG3 GLN 17 1HG GLN 17 -23.303 1.779 -11.534 159 HE21 GLN 17 1HE2 GLN 17 -23.436 3.609 -10.309 160 HE22 GLN 17 2HE2 GLN 17 -23.622 3.581 -8.588 161 H THR 18 H THR 18 -21.462 -2.601 -11.245 162 HA THR 18 HA THR 18 -22.227 -4.892 -12.546 163 HB THR 18 HB THR 18 -21.417 -4.802 -9.691 164 HG1 THR 18 1HG THR 18 -19.665 -4.561 -11.926 165 HG21 THR 18 3HG2 THR 18 -21.765 -6.988 -10.659 166 HG22 THR 18 1HG2 THR 18 -20.046 -6.754 -10.364 167 HG23 THR 18 2HG2 THR 18 -20.683 -6.607 -12.002 168 H VAL 19 H VAL 19 -24.250 -5.496 -12.639 169 HA VAL 19 HA VAL 19 -26.188 -5.170 -10.573 170 HB VAL 19 HB VAL 19 -26.366 -6.940 -13.042 171 HG11 VAL 19 1HG1 VAL 19 -28.547 -5.822 -11.276 172 HG12 VAL 19 2HG1 VAL 19 -28.035 -7.506 -11.361 173 HG13 VAL 19 3HG1 VAL 19 -28.793 -6.746 -12.758 174 HG21 VAL 19 3HG2 VAL 19 -27.284 -4.090 -12.658 175 HG22 VAL 19 1HG2 VAL 19 -27.564 -5.077 -14.093 176 HG23 VAL 19 2HG2 VAL 19 -25.920 -4.611 -13.644 177 H GLY 20 H GLY 20 -25.976 -6.241 -8.766 178 HA2 GLY 20 2HA GLY 20 -26.251 -8.256 -7.525 179 HA3 GLY 20 1HA GLY 20 -25.531 -9.139 -8.870 180 H ASP 21 H ASP 21 -24.470 -6.227 -7.150 181 HA ASP 21 HA ASP 21 -22.100 -7.618 -6.238 182 HB2 ASP 21 2HB ASP 21 -21.429 -6.464 -8.282 183 HB3 ASP 21 1HB ASP 21 -22.166 -4.975 -7.697 184 H ALA 22 H ALA 22 -21.957 -7.295 -4.230 185 HA ALA 22 HA ALA 22 -23.794 -5.787 -2.744 186 HB1 ALA 22 1HB ALA 22 -22.698 -7.810 -1.889 187 HB2 ALA 22 2HB ALA 22 -22.564 -6.446 -0.776 188 HB3 ALA 22 3HB ALA 22 -21.184 -6.915 -1.770 189 H PHE 23 H PHE 23 -20.539 -5.043 -3.674 190 HA PHE 23 HA PHE 23 -20.202 -2.826 -1.950 191 HB2 PHE 23 2HB PHE 23 -18.943 -3.652 -4.508 192 HB3 PHE 23 1HB PHE 23 -18.308 -2.293 -3.555 193 HD1 PHE 23 1HD PHE 23 -17.332 -2.808 -1.301 194 HD2 PHE 23 2HD PHE 23 -18.479 -5.888 -4.007 195 HE1 PHE 23 1HE PHE 23 -15.984 -4.425 -0.031 196 HE2 PHE 23 2HE PHE 23 -17.143 -7.511 -2.736 197 HZ PHE 23 HZ PHE 23 -15.891 -6.780 -0.745 198 H ALA 24 H ALA 24 -21.204 -3.196 -5.291 199 HA ALA 24 HA ALA 24 -21.574 -0.492 -5.926 200 HB1 ALA 24 1HB ALA 24 -22.947 -1.282 -7.776 201 HB2 ALA 24 2HB ALA 24 -23.078 -2.867 -7.025 202 HB3 ALA 24 3HB ALA 24 -21.512 -2.294 -7.606 203 H ARG 25 H ARG 25 -23.638 -2.769 -4.242 204 HA ARG 25 HA ARG 25 -25.997 -1.150 -4.263 205 HB2 ARG 25 2HB ARG 25 -25.197 -3.277 -2.260 206 HB3 ARG 25 1HB ARG 25 -26.810 -2.643 -2.519 207 HG2 ARG 25 2HG ARG 25 -25.204 -4.342 -4.414 208 HG3 ARG 25 1HG ARG 25 -26.622 -4.833 -3.491 209 HD2 ARG 25 2HD ARG 25 -26.533 -2.754 -5.667 210 HD3 ARG 25 1HD ARG 25 -27.185 -4.384 -5.820 211 HE ARG 25 HE ARG 25 -28.696 -3.560 -3.907 212 HH11 ARG 25 1HH1 ARG 25 -27.617 -1.654 -6.678 213 HH12 ARG 25 2HH1 ARG 25 -28.986 -0.652 -6.724 214 HH21 ARG 25 1HH2 ARG 25 -30.604 -2.184 -3.969 215 HH22 ARG 25 2HH2 ARG 25 -30.746 -0.988 -5.158 216 H ILE 26 H ILE 26 -23.409 -1.739 -1.975 217 HA ILE 26 HA ILE 26 -24.381 -0.144 0.132 218 HB ILE 26 HB ILE 26 -21.556 -1.067 -0.454 219 HG12 ILE 26 2HG1 ILE 26 -23.603 -2.198 1.461 220 HG13 ILE 26 1HG1 ILE 26 -23.330 -2.827 -0.159 221 HG21 ILE 26 1HG2 ILE 26 -21.550 0.845 1.090 222 HG22 ILE 26 2HG2 ILE 26 -21.089 -0.641 1.916 223 HG23 ILE 26 3HG2 ILE 26 -22.714 0.016 2.126 224 HD11 ILE 26 3HD1 ILE 26 -21.316 -2.738 2.071 225 HD12 ILE 26 1HD1 ILE 26 -21.034 -3.386 0.455 226 HD13 ILE 26 2HD1 ILE 26 -22.203 -4.163 1.525 227 H PHE 27 H PHE 27 -21.828 0.566 -2.275 228 HA PHE 27 HA PHE 27 -21.508 3.211 -1.187 229 HB2 PHE 27 2HB PHE 27 -20.405 2.102 -3.776 230 HB3 PHE 27 1HB PHE 27 -19.927 3.604 -3.016 231 HD1 PHE 27 1HD PHE 27 -19.309 3.165 -0.358 232 HD2 PHE 27 2HD PHE 27 -18.890 0.434 -3.588 233 HE1 PHE 27 1HE PHE 27 -17.551 1.979 0.888 234 HE2 PHE 27 2HE PHE 27 -17.132 -0.774 -2.340 235 HZ PHE 27 HZ PHE 27 -16.466 -0.001 -0.101 236 H GLY 28 H GLY 28 -23.368 1.794 -3.783 237 HA2 GLY 28 2HA GLY 28 -25.089 2.763 -5.002 238 HA3 GLY 28 1HA GLY 28 -24.732 4.309 -4.236 239 H GLY 29 H GLY 29 -21.863 3.619 -5.060 240 HA2 GLY 29 2HA GLY 29 -21.823 3.971 -7.907 241 HA3 GLY 29 1HA GLY 29 -21.253 5.350 -6.957 242 H SER 30 H SER 30 -20.597 2.228 -8.063 243 HA SER 30 HA SER 30 -18.809 1.057 -6.510 244 HB2 SER 30 2HB SER 30 -18.600 1.306 -9.497 245 HB3 SER 30 1HB SER 30 -17.950 0.001 -8.502 246 HG SER 30 HG SER 30 -20.008 -0.596 -7.951 247 H ILE 31 H ILE 31 -16.897 1.404 -5.729 248 HA ILE 31 HA ILE 31 -15.052 3.231 -7.019 249 HB ILE 31 HB ILE 31 -16.095 4.441 -5.150 250 HG12 ILE 31 2HG1 ILE 31 -13.580 4.755 -5.567 251 HG13 ILE 31 1HG1 ILE 31 -14.194 5.313 -4.028 252 HG21 ILE 31 1HG2 ILE 31 -16.877 2.674 -3.784 253 HG22 ILE 31 2HG2 ILE 31 -15.880 3.755 -2.811 254 HG23 ILE 31 3HG2 ILE 31 -15.232 2.208 -3.360 255 HD11 ILE 31 3HD1 ILE 31 -13.266 3.321 -2.946 256 HD12 ILE 31 1HD1 ILE 31 -12.024 4.241 -3.795 257 HD13 ILE 31 2HD1 ILE 31 -12.665 2.759 -4.505 258 H VAL 32 H VAL 32 -13.082 2.409 -7.207 259 HA VAL 32 HA VAL 32 -12.633 -0.240 -6.037 260 HB VAL 32 HB VAL 32 -11.130 -0.695 -7.981 261 HG11 VAL 32 1HG1 VAL 32 -12.894 -0.979 -9.664 262 HG12 VAL 32 2HG1 VAL 32 -13.941 0.094 -8.734 263 HG13 VAL 32 3HG1 VAL 32 -13.443 -1.454 -8.054 264 HG21 VAL 32 3HG2 VAL 32 -12.221 1.893 -9.075 265 HG22 VAL 32 1HG2 VAL 32 -11.140 0.779 -9.912 266 HG23 VAL 32 2HG2 VAL 32 -10.578 1.660 -8.483 267 HA PRO 33 HA PRO 33 -9.012 1.030 -3.810 268 HB2 PRO 33 2HB PRO 33 -7.201 -0.892 -4.783 269 HB3 PRO 33 1HB PRO 33 -8.230 -1.059 -3.359 270 HG2 PRO 33 2HG PRO 33 -8.638 -2.055 -6.139 271 HG3 PRO 33 1HG PRO 33 -9.095 -2.803 -4.600 272 HD2 PRO 33 2HD PRO 33 -10.914 -1.660 -6.159 273 HD3 PRO 33 1HD PRO 33 -10.998 -1.493 -4.393 274 H GLN 34 H GLN 34 -8.893 0.768 -7.239 275 HA GLN 34 HA GLN 34 -6.323 1.827 -7.675 276 HB2 GLN 34 2HB GLN 34 -8.737 1.894 -9.491 277 HB3 GLN 34 1HB GLN 34 -7.104 2.318 -9.977 278 HG2 GLN 34 2HG GLN 34 -6.340 0.068 -9.518 279 HG3 GLN 34 1HG GLN 34 -7.939 -0.377 -8.933 280 HE21 GLN 34 1HE2 GLN 34 -7.407 1.647 -11.757 281 HE22 GLN 34 2HE2 GLN 34 -7.985 0.494 -12.888 282 H GLU 35 H GLU 35 -9.434 3.368 -7.010 283 HA GLU 35 HA GLU 35 -8.600 6.003 -7.726 284 HB2 GLU 35 2HB GLU 35 -11.014 5.374 -7.460 285 HB3 GLU 35 1HB GLU 35 -10.748 5.155 -5.739 286 HG2 GLU 35 2HG GLU 35 -10.213 7.520 -5.498 287 HG3 GLU 35 1HG GLU 35 -10.421 7.754 -7.231 288 H VAL 36 H VAL 36 -8.393 3.996 -4.942 289 HA VAL 36 HA VAL 36 -7.517 5.943 -3.085 290 HB VAL 36 HB VAL 36 -7.020 2.953 -3.019 291 HG11 VAL 36 1HG1 VAL 36 -6.974 5.014 -0.814 292 HG12 VAL 36 2HG1 VAL 36 -5.591 4.131 -1.465 293 HG13 VAL 36 3HG1 VAL 36 -6.860 3.271 -0.586 294 HG21 VAL 36 3HG2 VAL 36 -9.308 4.545 -1.852 295 HG22 VAL 36 1HG2 VAL 36 -9.023 2.822 -1.598 296 HG23 VAL 36 2HG2 VAL 36 -9.409 3.427 -3.210 297 H GLU 37 H GLU 37 -5.767 3.544 -5.096 298 HA GLU 37 HA GLU 37 -3.274 4.448 -4.165 299 HB2 GLU 37 2HB GLU 37 -2.213 3.078 -5.864 300 HB3 GLU 37 1HB GLU 37 -3.509 2.182 -5.117 301 HG2 GLU 37 2HG GLU 37 -3.840 1.597 -7.295 302 HG3 GLU 37 1HG GLU 37 -4.834 3.052 -7.221 303 H ALA 38 H ALA 38 -5.262 5.442 -6.842 304 HA ALA 38 HA ALA 38 -3.503 7.144 -8.154 305 HB1 ALA 38 1HB ALA 38 -5.757 6.621 -8.978 306 HB2 ALA 38 2HB ALA 38 -5.513 8.363 -8.896 307 HB3 ALA 38 3HB ALA 38 -6.458 7.547 -7.655 308 H LEU 39 H LEU 39 -5.645 7.765 -5.416 309 HA LEU 39 HA LEU 39 -4.801 10.420 -4.999 310 HB2 LEU 39 2HB LEU 39 -6.171 8.469 -3.178 311 HB3 LEU 39 1HB LEU 39 -5.797 10.113 -2.701 312 HG LEU 39 HG LEU 39 -7.600 9.326 -4.991 313 HD11 LEU 39 1HD1 LEU 39 -9.390 10.203 -3.566 314 HD12 LEU 39 2HD1 LEU 39 -8.219 10.464 -2.268 315 HD13 LEU 39 3HD1 LEU 39 -8.582 8.827 -2.813 316 HD21 LEU 39 3HD2 LEU 39 -6.473 11.427 -5.438 317 HD22 LEU 39 1HD2 LEU 39 -6.879 12.014 -3.828 318 HD23 LEU 39 2HD2 LEU 39 -8.156 11.742 -5.013 319 H LEU 40 H LEU 40 -3.581 7.371 -3.835 320 HA LEU 40 HA LEU 40 -1.847 8.522 -1.908 321 HB2 LEU 40 2HB LEU 40 -1.638 5.848 -3.291 322 HB3 LEU 40 1HB LEU 40 -0.673 6.342 -1.917 323 HG LEU 40 HG LEU 40 -3.647 5.889 -1.961 324 HD11 LEU 40 1HD1 LEU 40 -2.353 3.857 -1.974 325 HD12 LEU 40 2HD1 LEU 40 -3.149 4.075 -0.416 326 HD13 LEU 40 3HD1 LEU 40 -1.424 4.407 -0.579 327 HD21 LEU 40 3HD2 LEU 40 -3.119 7.757 -0.488 328 HD22 LEU 40 1HD2 LEU 40 -1.892 6.787 0.331 329 HD23 LEU 40 2HD2 LEU 40 -3.600 6.343 0.434 330 H ARG 41 H ARG 41 -1.429 7.671 -5.290 331 HA ARG 41 HA ARG 41 1.330 8.287 -5.472 332 HB2 ARG 41 2HB ARG 41 -0.730 8.724 -7.674 333 HB3 ARG 41 1HB ARG 41 1.002 8.531 -7.885 334 HG2 ARG 41 2HG ARG 41 0.864 6.242 -7.141 335 HG3 ARG 41 1HG ARG 41 -0.873 6.422 -6.892 336 HD2 ARG 41 2HD ARG 41 0.605 6.685 -9.499 337 HD3 ARG 41 1HD ARG 41 -0.443 5.356 -9.016 338 HE ARG 41 HE ARG 41 -1.834 7.808 -8.913 339 HH11 ARG 41 1HH1 ARG 41 -0.655 5.363 -11.203 340 HH12 ARG 41 2HH1 ARG 41 -1.721 5.805 -12.428 341 HH21 ARG 41 1HH2 ARG 41 -3.331 8.400 -10.638 342 HH22 ARG 41 2HH2 ARG 41 -3.298 7.528 -12.097 343 H ARG 42 H ARG 42 -1.567 10.218 -5.883 344 HA ARG 42 HA ARG 42 -0.255 12.651 -6.357 345 HB2 ARG 42 2HB ARG 42 -2.460 12.641 -7.144 346 HB3 ARG 42 1HB ARG 42 -3.086 11.878 -5.698 347 HG2 ARG 42 2HG ARG 42 -2.022 14.644 -5.468 348 HG3 ARG 42 1HG ARG 42 -3.589 14.411 -6.258 349 HD2 ARG 42 2HD ARG 42 -4.573 13.587 -4.339 350 HD3 ARG 42 1HD ARG 42 -3.037 13.042 -3.677 351 HE ARG 42 HE ARG 42 -3.480 15.906 -3.892 352 HH11 ARG 42 1HH1 ARG 42 -3.482 13.002 -1.894 353 HH12 ARG 42 2HH1 ARG 42 -3.120 13.770 -0.437 354 HH21 ARG 42 1HH2 ARG 42 -3.070 17.064 -1.820 355 HH22 ARG 42 2HH2 ARG 42 -2.947 16.149 -0.396 356 H GLU 43 H GLU 43 -1.392 11.172 -3.366 357 HA GLU 43 HA GLU 43 -0.884 13.279 -1.577 358 HB2 GLU 43 2HB GLU 43 -2.160 11.264 -0.979 359 HB3 GLU 43 1HB GLU 43 -0.729 10.281 -1.187 360 HG2 GLU 43 2HG GLU 43 -1.204 10.563 1.155 361 HG3 GLU 43 1HG GLU 43 0.297 11.381 0.755 362 H ALA 44 H ALA 44 1.172 10.609 -2.644 363 HA ALA 44 HA ALA 44 3.468 11.219 -1.204 364 HB1 ALA 44 1HB ALA 44 4.637 9.865 -2.880 365 HB2 ALA 44 2HB ALA 44 3.207 9.960 -3.921 366 HB3 ALA 44 3HB ALA 44 3.115 9.116 -2.377 367 H ALA 45 H ALA 45 2.432 12.260 -4.411 368 HA ALA 45 HA ALA 45 4.780 13.728 -5.026 369 HB1 ALA 45 1HB ALA 45 3.532 14.577 -6.926 370 HB2 ALA 45 2HB ALA 45 2.034 13.964 -6.230 371 HB3 ALA 45 3HB ALA 45 3.288 12.839 -6.749 372 H ASP 46 H ASP 46 1.777 14.539 -3.454 373 HA ASP 46 HA ASP 46 2.284 17.362 -3.651 374 HB2 ASP 46 2HB ASP 46 -0.037 16.560 -3.654 375 HB3 ASP 46 1HB ASP 46 0.183 15.906 -2.036 376 H GLY 47 H GLY 47 2.688 14.855 -1.263 377 HA2 GLY 47 2HA GLY 47 3.386 16.732 0.815 378 HA3 GLY 47 1HA GLY 47 3.376 14.981 0.933 379 H ILE 48 H ILE 48 5.081 16.132 -1.769 380 HA ILE 48 HA ILE 48 7.529 15.085 -1.035 381 HB ILE 48 HB ILE 48 6.693 17.041 -3.157 382 HG12 ILE 48 2HG1 ILE 48 6.017 14.765 -3.490 383 HG13 ILE 48 1HG1 ILE 48 7.269 15.175 -4.659 384 HG21 ILE 48 1HG2 ILE 48 8.933 17.694 -2.607 385 HG22 ILE 48 2HG2 ILE 48 8.882 16.896 -4.187 386 HG23 ILE 48 3HG2 ILE 48 9.486 16.023 -2.770 387 HD11 ILE 48 3HD1 ILE 48 8.922 14.022 -3.206 388 HD12 ILE 48 1HD1 ILE 48 7.656 12.970 -3.832 389 HD13 ILE 48 2HD1 ILE 48 7.586 13.506 -2.169 390 H GLN 49 H GLN 49 9.373 15.826 -0.157 391 HA GLN 49 HA GLN 49 9.227 18.463 1.054 392 HB2 GLN 49 2HB GLN 49 8.995 16.334 2.495 393 HB3 GLN 49 1HB GLN 49 10.639 16.031 2.040 394 HG2 GLN 49 2HG GLN 49 11.435 17.978 3.125 395 HG3 GLN 49 1HG GLN 49 9.787 18.512 3.474 396 HE21 GLN 49 1HE2 GLN 49 12.268 16.235 4.297 397 HE22 GLN 49 2HE2 GLN 49 11.565 15.674 5.761 398 H SER 50 H SER 50 10.964 19.680 0.614 399 HA SER 50 HA SER 50 12.729 18.941 -1.430 400 HB2 SER 50 2HB SER 50 11.940 21.261 -1.024 401 HB3 SER 50 1HB SER 50 12.856 21.293 0.477 402 HG SER 50 HG SER 50 13.824 21.135 -2.175 403 H LEU 51 H LEU 51 14.658 18.302 -1.397 404 HA LEU 51 HA LEU 51 16.301 17.996 0.955 405 HB2 LEU 51 2HB LEU 51 14.700 15.951 0.613 406 HB3 LEU 51 1HB LEU 51 15.610 15.648 -0.845 407 HG LEU 51 HG LEU 51 17.667 15.380 0.613 408 HD11 LEU 51 1HD1 LEU 51 16.814 16.591 2.586 409 HD12 LEU 51 2HD1 LEU 51 17.361 14.956 2.961 410 HD13 LEU 51 3HD1 LEU 51 15.638 15.295 2.826 411 HD21 LEU 51 3HD2 LEU 51 16.474 13.484 -0.290 412 HD22 LEU 51 1HD2 LEU 51 15.341 13.534 1.058 413 HD23 LEU 51 2HD2 LEU 51 17.035 13.138 1.346 414 H GLN 52 H GLN 52 18.310 16.554 -0.409 415 HA GLN 52 HA GLN 52 19.371 18.226 -2.354 416 HB2 GLN 52 2HB GLN 52 19.715 15.224 -2.153 417 HB3 GLN 52 1HB GLN 52 20.709 16.274 -3.140 418 HG2 GLN 52 2HG GLN 52 21.457 17.420 -1.074 419 HG3 GLN 52 1HG GLN 52 20.536 16.242 -0.137 420 HE21 GLN 52 1HE2 GLN 52 22.358 15.410 0.845 421 HE22 GLN 52 2HE2 GLN 52 23.508 14.429 0.021 422 H GLY 53 H GLY 53 19.356 18.186 -4.655 423 HA2 GLY 53 2HA GLY 53 16.821 17.681 -5.804 424 HA3 GLY 53 1HA GLY 53 18.266 18.176 -6.666 425 H ASN 54 H ASN 54 19.430 15.669 -5.280 426 HA ASN 54 HA ASN 54 19.381 13.928 -7.491 427 HB2 ASN 54 2HB ASN 54 21.164 13.931 -5.751 428 HB3 ASN 54 1HB ASN 54 20.010 13.281 -4.597 429 HD21 ASN 54 1HD2 ASN 54 21.208 11.424 -4.251 430 HD22 ASN 54 2HD2 ASN 54 21.365 10.178 -5.416 431 H ARG 55 H ARG 55 17.547 14.059 -4.479 432 HA ARG 55 HA ARG 55 15.343 12.847 -5.582 433 HB2 ARG 55 2HB ARG 55 15.267 10.791 -4.118 434 HB3 ARG 55 1HB ARG 55 16.383 10.734 -5.465 435 HG2 ARG 55 2HG ARG 55 18.196 11.273 -3.935 436 HG3 ARG 55 1HG ARG 55 17.031 11.227 -2.600 437 HD2 ARG 55 2HD ARG 55 18.140 9.048 -2.732 438 HD3 ARG 55 1HD ARG 55 16.450 8.905 -3.196 439 HE ARG 55 HE ARG 55 18.685 8.967 -5.106 440 HH11 ARG 55 1HH1 ARG 55 15.388 7.812 -4.270 441 HH12 ARG 55 2HH1 ARG 55 15.364 6.696 -5.537 442 HH21 ARG 55 1HH2 ARG 55 18.568 7.447 -6.791 443 HH22 ARG 55 2HH2 ARG 55 17.173 6.482 -7.018 444 H LEU 56 H LEU 56 13.627 13.236 -4.486 445 HA LEU 56 HA LEU 56 13.808 15.116 -2.209 446 HB2 LEU 56 2HB LEU 56 11.514 14.354 -4.001 447 HB3 LEU 56 1HB LEU 56 11.565 15.667 -2.835 448 HG LEU 56 HG LEU 56 13.272 15.502 -5.318 449 HD11 LEU 56 1HD1 LEU 56 11.901 17.305 -6.165 450 HD12 LEU 56 2HD1 LEU 56 10.884 17.225 -4.728 451 HD13 LEU 56 3HD1 LEU 56 10.927 15.865 -5.856 452 HD21 LEU 56 3HD2 LEU 56 13.851 17.826 -4.792 453 HD22 LEU 56 1HD2 LEU 56 14.369 16.724 -3.516 454 HD23 LEU 56 2HD2 LEU 56 12.928 17.719 -3.296 455 H LEU 57 H LEU 57 12.440 14.935 -0.442 456 HA LEU 57 HA LEU 57 12.353 12.170 0.376 457 HB2 LEU 57 2HB LEU 57 13.390 14.282 1.615 458 HB3 LEU 57 1HB LEU 57 11.740 14.541 2.107 459 HG LEU 57 HG LEU 57 13.066 13.448 3.835 460 HD11 LEU 57 1HD1 LEU 57 10.924 11.680 2.715 461 HD12 LEU 57 2HD1 LEU 57 10.707 13.037 3.825 462 HD13 LEU 57 3HD1 LEU 57 11.588 11.599 4.347 463 HD21 LEU 57 3HD2 LEU 57 13.374 11.235 1.817 464 HD22 LEU 57 1HD2 LEU 57 13.780 11.121 3.530 465 HD23 LEU 57 2HD2 LEU 57 14.638 12.255 2.497 466 H ALA 58 H ALA 58 10.497 11.147 0.335 467 HA ALA 58 HA ALA 58 8.003 12.642 -0.040 468 HB1 ALA 58 1HB ALA 58 8.706 9.766 -0.681 469 HB2 ALA 58 2HB ALA 58 8.587 11.088 -1.844 470 HB3 ALA 58 3HB ALA 58 7.148 10.528 -0.996 471 HA PRO 59 HA PRO 59 6.425 11.178 3.913 472 HB2 PRO 59 2HB PRO 59 4.021 10.176 2.484 473 HB3 PRO 59 1HB PRO 59 4.125 11.314 3.834 474 HG2 PRO 59 2HG PRO 59 3.541 12.176 1.384 475 HG3 PRO 59 1HG PRO 59 4.600 13.117 2.447 476 HD2 PRO 59 2HD PRO 59 5.318 11.354 0.139 477 HD3 PRO 59 1HD PRO 59 6.001 12.924 0.614 478 H ASN 60 H ASN 60 6.203 9.237 5.070 479 HA ASN 60 HA ASN 60 6.569 6.808 3.441 480 HB2 ASN 60 2HB ASN 60 8.142 5.922 5.054 481 HB3 ASN 60 1HB ASN 60 8.686 7.502 4.508 482 HD21 ASN 60 1HD2 ASN 60 7.701 5.600 7.157 483 HD22 ASN 60 2HD2 ASN 60 7.968 6.808 8.380 484 H GLU 61 H GLU 61 5.030 8.257 6.199 485 HA GLU 61 HA GLU 61 3.807 5.677 6.773 486 HB2 GLU 61 2HB GLU 61 4.987 6.901 8.646 487 HB3 GLU 61 1HB GLU 61 3.798 8.182 8.479 488 HG2 GLU 61 2HG GLU 61 2.021 6.659 9.078 489 HG3 GLU 61 1HG GLU 61 3.164 5.320 9.156 490 H TYR 62 H TYR 62 1.983 5.438 5.741 491 HA TYR 62 HA TYR 62 0.330 7.811 5.188 492 HB2 TYR 62 2HB TYR 62 0.575 5.215 3.658 493 HB3 TYR 62 1HB TYR 62 -0.662 6.425 3.335 494 HD1 TYR 62 2HD TYR 62 3.009 5.889 3.428 495 HD2 TYR 62 1HD TYR 62 -0.198 8.214 1.892 496 HE1 TYR 62 2HE TYR 62 4.569 7.046 1.936 497 HE2 TYR 62 1HE TYR 62 1.361 9.385 0.395 498 HH TYR 62 HH TYR 62 4.669 8.355 0.052 499 H ILE 63 H ILE 63 -1.649 7.880 5.957 500 HA ILE 63 HA ILE 63 -2.670 5.438 7.216 501 HB ILE 63 HB ILE 63 -3.094 8.271 8.232 502 HG12 ILE 63 2HG1 ILE 63 -1.381 6.055 9.399 503 HG13 ILE 63 1HG1 ILE 63 -0.750 7.457 8.549 504 HG21 ILE 63 1HG2 ILE 63 -4.963 6.764 8.708 505 HG22 ILE 63 2HG2 ILE 63 -4.087 7.126 10.197 506 HG23 ILE 63 3HG2 ILE 63 -3.855 5.577 9.385 507 HD11 ILE 63 3HD1 ILE 63 -1.674 8.905 10.308 508 HD12 ILE 63 1HD1 ILE 63 -0.533 7.717 10.943 509 HD13 ILE 63 2HD1 ILE 63 -2.268 7.469 11.142 510 H ILE 64 H ILE 64 -4.291 4.751 6.038 511 HA ILE 64 HA ILE 64 -6.167 6.680 4.932 512 HB ILE 64 HB ILE 64 -5.544 3.819 4.059 513 HG12 ILE 64 2HG1 ILE 64 -5.081 4.872 1.820 514 HG13 ILE 64 1HG1 ILE 64 -5.260 6.446 2.573 515 HG21 ILE 64 1HG2 ILE 64 -7.243 4.081 2.310 516 HG22 ILE 64 2HG2 ILE 64 -7.702 5.636 3.007 517 HG23 ILE 64 3HG2 ILE 64 -7.934 4.154 3.931 518 HD11 ILE 64 3HD1 ILE 64 -2.918 5.841 2.277 519 HD12 ILE 64 1HD1 ILE 64 -3.178 4.385 3.236 520 HD13 ILE 64 2HD1 ILE 64 -3.329 5.974 3.985 521 H THR 65 H THR 65 -7.810 6.858 6.226 522 HA THR 65 HA THR 65 -8.638 4.515 7.790 523 HB THR 65 HB THR 65 -9.230 7.396 8.498 524 HG1 THR 65 1HG THR 65 -6.985 5.767 9.078 525 HG21 THR 65 3HG2 THR 65 -9.597 6.461 10.728 526 HG22 THR 65 1HG2 THR 65 -9.199 4.849 10.127 527 HG23 THR 65 2HG2 THR 65 -10.635 5.683 9.535 528 H LEU 66 H LEU 66 -10.533 3.749 7.286 529 HA LEU 66 HA LEU 66 -12.454 5.376 5.766 530 HB2 LEU 66 2HB LEU 66 -11.942 2.430 5.991 531 HB3 LEU 66 1HB LEU 66 -13.554 2.979 5.601 532 HG LEU 66 HG LEU 66 -12.266 2.280 3.612 533 HD11 LEU 66 1HD1 LEU 66 -14.052 3.794 3.317 534 HD12 LEU 66 2HD1 LEU 66 -12.725 4.209 2.223 535 HD13 LEU 66 3HD1 LEU 66 -12.999 5.155 3.686 536 HD21 LEU 66 3HD2 LEU 66 -10.502 4.638 4.242 537 HD22 LEU 66 1HD2 LEU 66 -10.449 3.676 2.765 538 HD23 LEU 66 2HD2 LEU 66 -10.024 2.942 4.311 539 H GLY 67 H GLY 67 -14.663 5.309 6.451 540 HA2 GLY 67 2HA GLY 67 -15.090 5.372 9.230 541 HA3 GLY 67 1HA GLY 67 -16.348 5.296 7.993 542 H VAL 68 H VAL 68 -16.067 3.861 10.574 543 HA VAL 68 HA VAL 68 -15.300 1.230 10.201 544 HB VAL 68 HB VAL 68 -15.630 1.983 12.380 545 HG11 VAL 68 1HG1 VAL 68 -17.865 2.518 13.362 546 HG12 VAL 68 2HG1 VAL 68 -18.557 2.390 11.746 547 HG13 VAL 68 3HG1 VAL 68 -17.365 3.642 12.099 548 HG21 VAL 68 3HG2 VAL 68 -17.086 0.264 13.418 549 HG22 VAL 68 1HG2 VAL 68 -16.029 -0.383 12.162 550 HG23 VAL 68 2HG2 VAL 68 -17.732 -0.100 11.815 551 H HIS 69 H HIS 69 -18.380 2.675 9.493 552 HA HIS 69 HA HIS 69 -19.831 0.351 8.870 553 HB2 HIS 69 2HB HIS 69 -20.927 2.510 9.248 554 HB3 HIS 69 1HB HIS 69 -20.128 3.179 7.835 555 HD1 HIS 69 1HD HIS 69 -23.225 1.380 8.880 556 HD2 HIS 69 2HD HIS 69 -21.160 2.156 5.343 557 HE1 HIS 69 1HE HIS 69 -24.806 0.884 7.021 558 H ASP 70 H ASP 70 -17.561 2.252 6.983 559 HA ASP 70 HA ASP 70 -18.212 0.882 4.518 560 HB2 ASP 70 2HB ASP 70 -16.091 2.945 5.165 561 HB3 ASP 70 1HB ASP 70 -16.265 2.196 3.588 562 H PHE 71 H PHE 71 -15.539 0.965 6.890 563 HA PHE 71 HA PHE 71 -13.827 -0.583 5.293 564 HB2 PHE 71 2HB PHE 71 -13.180 0.943 7.198 565 HB3 PHE 71 1HB PHE 71 -13.694 -0.355 8.278 566 HD1 PHE 71 1HD PHE 71 -11.385 0.465 5.554 567 HD2 PHE 71 2HD PHE 71 -12.258 -2.123 8.772 568 HE1 PHE 71 1HE PHE 71 -9.142 -0.562 5.310 569 HE2 PHE 71 2HE PHE 71 -10.030 -3.176 8.561 570 HZ PHE 71 HZ PHE 71 -8.471 -2.390 6.820 571 H GLU 72 H GLU 72 -16.200 -1.486 7.748 572 HA GLU 72 HA GLU 72 -15.460 -4.178 7.977 573 HB2 GLU 72 2HB GLU 72 -17.730 -4.526 8.841 574 HB3 GLU 72 1HB GLU 72 -16.937 -3.077 9.477 575 HG2 GLU 72 2HG GLU 72 -18.250 -1.641 8.160 576 HG3 GLU 72 1HG GLU 72 -18.898 -2.983 7.225 577 H LYS 73 H LYS 73 -17.306 -2.464 5.644 578 HA LYS 73 HA LYS 73 -18.405 -4.765 4.331 579 HB2 LYS 73 2HB LYS 73 -18.013 -2.007 3.169 580 HB3 LYS 73 1HB LYS 73 -19.053 -3.266 2.539 581 HG2 LYS 73 2HG LYS 73 -19.411 -1.765 5.118 582 HG3 LYS 73 1HG LYS 73 -20.340 -1.538 3.646 583 HD2 LYS 73 2HD LYS 73 -21.068 -3.960 3.891 584 HD3 LYS 73 1HD LYS 73 -20.316 -3.917 5.487 585 HE2 LYS 73 2HE LYS 73 -22.521 -2.104 4.521 586 HE3 LYS 73 1HE LYS 73 -22.715 -3.455 5.634 587 HZ1 LYS 73 3HZ LYS 73 -22.628 -1.314 6.736 588 HZ2 LYS 73 1HZ LYS 73 -21.055 -1.032 6.184 589 HZ3 LYS 73 2HZ LYS 73 -21.391 -2.302 7.263 590 H LEU 74 H LEU 74 -15.513 -2.942 4.119 591 HA LEU 74 HA LEU 74 -14.625 -4.037 1.632 592 HB2 LEU 74 2HB LEU 74 -12.970 -2.887 3.890 593 HB3 LEU 74 1HB LEU 74 -12.411 -3.177 2.258 594 HG LEU 74 HG LEU 74 -14.473 -1.134 3.096 595 HD11 LEU 74 1HD1 LEU 74 -11.662 -0.815 2.076 596 HD12 LEU 74 2HD1 LEU 74 -12.217 -0.516 3.724 597 HD13 LEU 74 3HD1 LEU 74 -12.798 0.492 2.398 598 HD21 LEU 74 3HD2 LEU 74 -14.372 -0.372 0.758 599 HD22 LEU 74 1HD2 LEU 74 -15.003 -2.016 0.880 600 HD23 LEU 74 2HD2 LEU 74 -13.336 -1.742 0.367 601 H GLY 75 H GLY 75 -14.255 -4.880 5.007 602 HA2 GLY 75 2HA GLY 75 -14.272 -7.481 5.073 603 HA3 GLY 75 1HA GLY 75 -12.718 -7.256 4.277 604 H ALA 76 H ALA 76 -12.567 -8.575 6.533 605 HA ALA 76 HA ALA 76 -12.041 -6.695 8.689 606 HB1 ALA 76 1HB ALA 76 -11.803 -8.667 10.097 607 HB2 ALA 76 2HB ALA 76 -11.952 -9.711 8.683 608 HB3 ALA 76 3HB ALA 76 -13.320 -8.724 9.200 609 H ASP 77 H ASP 77 -10.403 -7.680 6.120 610 HA ASP 77 HA ASP 77 -7.856 -8.106 7.506 611 HB2 ASP 77 2HB ASP 77 -8.802 -8.891 4.793 612 HB3 ASP 77 1HB ASP 77 -7.079 -8.766 5.107 613 HA PRO 78 HA PRO 78 -6.911 -3.911 6.022 614 HB2 PRO 78 2HB PRO 78 -5.147 -3.825 8.340 615 HB3 PRO 78 1HB PRO 78 -6.536 -2.797 7.976 616 HG2 PRO 78 2HG PRO 78 -6.536 -4.597 10.002 617 HG3 PRO 78 1HG PRO 78 -8.004 -4.169 9.104 618 HD2 PRO 78 2HD PRO 78 -6.209 -6.542 8.795 619 HD3 PRO 78 1HD PRO 78 -7.986 -6.475 8.811 620 H GLU 79 H GLU 79 -4.715 -6.333 7.419 621 HA GLU 79 HA GLU 79 -2.342 -5.176 6.463 622 HB2 GLU 79 2HB GLU 79 -2.363 -6.611 8.422 623 HB3 GLU 79 1HB GLU 79 -2.854 -7.980 7.448 624 HG2 GLU 79 2HG GLU 79 -0.735 -7.964 6.295 625 HG3 GLU 79 1HG GLU 79 -0.248 -6.517 7.170 626 H LEU 80 H LEU 80 -4.484 -7.473 5.055 627 HA LEU 80 HA LEU 80 -2.859 -8.488 3.014 628 HB2 LEU 80 2HB LEU 80 -5.073 -9.386 3.689 629 HB3 LEU 80 1HB LEU 80 -5.838 -7.989 2.974 630 HG LEU 80 HG LEU 80 -5.025 -8.709 0.749 631 HD11 LEU 80 1HD1 LEU 80 -4.136 -10.973 0.479 632 HD12 LEU 80 2HD1 LEU 80 -4.058 -11.149 2.235 633 HD13 LEU 80 3HD1 LEU 80 -3.053 -9.950 1.418 634 HD21 LEU 80 3HD2 LEU 80 -6.613 -10.769 2.277 635 HD22 LEU 80 1HD2 LEU 80 -6.549 -10.618 0.523 636 HD23 LEU 80 2HD2 LEU 80 -7.259 -9.330 1.492 637 H LYS 81 H LYS 81 -4.361 -5.414 3.401 638 HA LYS 81 HA LYS 81 -3.868 -4.650 0.612 639 HB2 LYS 81 2HB LYS 81 -5.437 -3.352 2.829 640 HB3 LYS 81 1HB LYS 81 -5.045 -2.507 1.343 641 HG2 LYS 81 2HG LYS 81 -6.541 -5.107 1.419 642 HG3 LYS 81 1HG LYS 81 -7.332 -3.528 1.442 643 HD2 LYS 81 2HD LYS 81 -6.301 -2.971 -0.696 644 HD3 LYS 81 1HD LYS 81 -5.453 -4.510 -0.716 645 HE2 LYS 81 2HE LYS 81 -8.445 -4.163 -0.724 646 HE3 LYS 81 1HE LYS 81 -7.458 -4.511 -2.143 647 HZ1 LYS 81 3HZ LYS 81 -8.427 -6.540 -1.298 648 HZ2 LYS 81 1HZ LYS 81 -7.766 -6.286 0.235 649 HZ3 LYS 81 2HZ LYS 81 -6.778 -6.576 -1.097 650 H SER 82 H SER 82 -2.860 -3.947 3.932 651 HA SER 82 HA SER 82 -1.611 -1.522 3.306 652 HB2 SER 82 2HB SER 82 -0.562 -1.855 5.585 653 HB3 SER 82 1HB SER 82 -2.325 -1.854 5.534 654 HG SER 82 HG SER 82 -0.652 -3.748 6.359 655 H THR 83 H THR 83 -0.335 -4.814 3.650 656 HA THR 83 HA THR 83 2.350 -4.014 3.316 657 HB THR 83 HB THR 83 1.113 -6.686 2.684 658 HG1 THR 83 1HG THR 83 1.266 -5.351 4.997 659 HG21 THR 83 3HG2 THR 83 3.354 -7.549 3.257 660 HG22 THR 83 1HG2 THR 83 3.914 -5.895 3.511 661 HG23 THR 83 2HG2 THR 83 3.424 -6.422 1.898 662 H GLY 84 H GLY 84 -0.168 -5.035 1.040 663 HA2 GLY 84 2HA GLY 84 1.479 -5.317 -1.231 664 HA3 GLY 84 1HA GLY 84 -0.265 -5.092 -1.244 665 H PHE 85 H PHE 85 -0.641 -2.682 -0.203 666 HA PHE 85 HA PHE 85 0.099 -0.954 -2.285 667 HB2 PHE 85 2HB PHE 85 -1.313 -0.569 0.301 668 HB3 PHE 85 1HB PHE 85 -0.817 0.839 -0.629 669 HD1 PHE 85 2HD PHE 85 -2.597 -2.405 -1.144 670 HD2 PHE 85 1HD PHE 85 -2.332 1.728 -2.069 671 HE1 PHE 85 2HE PHE 85 -4.637 -2.586 -2.492 672 HE2 PHE 85 1HE PHE 85 -4.375 1.575 -3.407 673 HZ PHE 85 HZ PHE 85 -5.538 -0.585 -3.630 674 H ALA 86 H ALA 86 1.533 -1.523 0.886 675 HA ALA 86 HA ALA 86 3.040 0.866 0.994 676 HB1 ALA 86 1HB ALA 86 4.386 -0.231 2.702 677 HB2 ALA 86 2HB ALA 86 3.709 -1.800 2.256 678 HB3 ALA 86 3HB ALA 86 2.676 -0.562 2.968 679 H ARG 87 H ARG 87 3.837 -2.357 -0.121 680 HA ARG 87 HA ARG 87 6.451 -1.723 -1.003 681 HB2 ARG 87 2HB ARG 87 5.703 -4.014 -0.542 682 HB3 ARG 87 1HB ARG 87 4.567 -3.919 -1.878 683 HG2 ARG 87 2HG ARG 87 6.439 -3.683 -3.435 684 HG3 ARG 87 1HG ARG 87 7.564 -3.816 -2.083 685 HD2 ARG 87 2HD ARG 87 6.676 -6.020 -1.565 686 HD3 ARG 87 1HD ARG 87 5.568 -5.905 -2.928 687 HE ARG 87 HE ARG 87 8.021 -5.446 -4.000 688 HH11 ARG 87 1HH1 ARG 87 6.635 -8.136 -2.137 689 HH12 ARG 87 2HH1 ARG 87 7.528 -9.344 -2.924 690 HH21 ARG 87 1HH2 ARG 87 9.316 -7.107 -5.056 691 HH22 ARG 87 2HH2 ARG 87 9.107 -8.735 -4.622 692 H ASP 88 H ASP 88 3.313 -1.714 -2.491 693 HA ASP 88 HA ASP 88 4.054 -1.279 -5.189 694 HB2 ASP 88 2HB ASP 88 1.764 -1.962 -4.211 695 HB3 ASP 88 1HB ASP 88 1.515 -0.244 -3.941 696 H LEU 89 H LEU 89 3.101 0.982 -2.625 697 HA LEU 89 HA LEU 89 3.455 3.306 -4.223 698 HB2 LEU 89 2HB LEU 89 1.924 3.159 -2.284 699 HB3 LEU 89 1HB LEU 89 3.309 3.039 -1.226 700 HG LEU 89 HG LEU 89 3.973 5.329 -1.818 701 HD11 LEU 89 1HD1 LEU 89 2.463 6.736 -3.141 702 HD12 LEU 89 2HD1 LEU 89 1.459 5.331 -3.496 703 HD13 LEU 89 3HD1 LEU 89 3.113 5.414 -4.105 704 HD21 LEU 89 3HD2 LEU 89 2.114 6.469 -0.730 705 HD22 LEU 89 1HD2 LEU 89 2.490 4.944 0.069 706 HD23 LEU 89 2HD2 LEU 89 1.089 5.059 -0.996 707 H ALA 90 H ALA 90 5.522 1.493 -2.045 708 HA ALA 90 HA ALA 90 7.635 3.347 -1.878 709 HB1 ALA 90 1HB ALA 90 9.039 1.415 -1.296 710 HB2 ALA 90 2HB ALA 90 7.757 0.326 -1.826 711 HB3 ALA 90 3HB ALA 90 7.505 1.370 -0.424 712 H ASP 91 H ASP 91 6.800 0.853 -4.142 713 HA ASP 91 HA ASP 91 9.067 0.990 -5.806 714 HB2 ASP 91 2HB ASP 91 7.458 -0.878 -5.922 715 HB3 ASP 91 1HB ASP 91 6.230 0.221 -6.536 716 H TYR 92 H TYR 92 5.942 2.613 -5.951 717 HA TYR 92 HA TYR 92 6.306 4.226 -8.188 718 HB2 TYR 92 2HB TYR 92 4.707 4.569 -5.701 719 HB3 TYR 92 1HB TYR 92 4.905 5.946 -6.767 720 HD1 TYR 92 2HD TYR 92 4.336 5.490 -9.257 721 HD2 TYR 92 1HD TYR 92 2.919 3.130 -6.034 722 HE1 TYR 92 2HE TYR 92 2.394 4.774 -10.622 723 HE2 TYR 92 1HE TYR 92 1.006 2.407 -7.373 724 HH TYR 92 HH TYR 92 -0.296 3.121 -9.256 725 H ILE 93 H ILE 93 7.097 5.102 -4.803 726 HA ILE 93 HA ILE 93 8.071 7.625 -5.571 727 HB ILE 93 HB ILE 93 9.103 7.853 -3.328 728 HG12 ILE 93 2HG1 ILE 93 8.269 4.962 -2.926 729 HG13 ILE 93 1HG1 ILE 93 9.919 5.530 -3.081 730 HG21 ILE 93 1HG2 ILE 93 6.720 8.309 -3.593 731 HG22 ILE 93 2HG2 ILE 93 7.050 7.628 -2.003 732 HG23 ILE 93 3HG2 ILE 93 6.351 6.617 -3.266 733 HD11 ILE 93 3HD1 ILE 93 9.689 6.806 -1.007 734 HD12 ILE 93 1HD1 ILE 93 9.357 5.092 -0.758 735 HD13 ILE 93 2HD1 ILE 93 8.024 6.241 -0.850 736 H GLN 94 H GLN 94 9.638 4.555 -5.328 737 HA GLN 94 HA GLN 94 12.297 5.396 -5.727 738 HB2 GLN 94 2HB GLN 94 10.839 2.839 -6.302 739 HB3 GLN 94 1HB GLN 94 12.540 3.038 -6.697 740 HG2 GLN 94 2HG GLN 94 13.119 3.287 -4.399 741 HG3 GLN 94 1HG GLN 94 11.431 3.472 -3.928 742 HE21 GLN 94 1HE2 GLN 94 11.701 1.775 -2.432 743 HE22 GLN 94 2HE2 GLN 94 11.732 0.128 -2.949 744 H GLU 95 H GLU 95 9.697 4.556 -8.023 745 HA GLU 95 HA GLU 95 11.152 4.740 -10.377 746 HB2 GLU 95 2HB GLU 95 8.276 5.259 -9.743 747 HB3 GLU 95 1HB GLU 95 8.843 5.231 -11.380 748 HG2 GLU 95 2HG GLU 95 9.626 2.871 -10.891 749 HG3 GLU 95 1HG GLU 95 8.715 3.026 -9.383 750 H GLN 96 H GLN 96 9.429 7.097 -8.470 751 HA GLN 96 HA GLN 96 9.627 9.271 -10.311 752 HB2 GLN 96 2HB GLN 96 9.132 9.316 -7.360 753 HB3 GLN 96 1HB GLN 96 8.792 10.621 -8.482 754 HG2 GLN 96 2HG GLN 96 7.482 7.913 -8.372 755 HG3 GLN 96 1HG GLN 96 6.763 9.460 -7.935 756 HE21 GLN 96 1HE2 GLN 96 6.103 7.375 -9.920 757 HE22 GLN 96 2HE2 GLN 96 5.938 8.205 -11.408 758 H GLY 97 H GLY 97 11.862 7.895 -8.208 759 HA2 GLY 97 2HA GLY 97 14.084 8.516 -7.918 760 HA3 GLY 97 1HA GLY 97 13.738 10.020 -8.765 761 H TRP 98 H TRP 98 11.957 8.761 -6.008 762 HA TRP 98 HA TRP 98 12.979 10.992 -4.401 763 HB2 TRP 98 2HB TRP 98 10.351 9.504 -4.161 764 HB3 TRP 98 1HB TRP 98 10.866 10.848 -3.155 765 HD1 TRP 98 HD TRP 98 11.923 12.620 -5.743 766 HE1 TRP 98 1HE TRP 98 10.137 13.777 -7.180 767 HE3 TRP 98 3HE TRP 98 7.862 9.860 -4.368 768 HZ2 TRP 98 2HZ TRP 98 7.375 13.585 -7.646 769 HZ3 TRP 98 3HZ TRP 98 5.668 10.424 -5.346 770 HH2 TRP 98 HH TRP 98 5.441 12.252 -6.955 771 H GLN 99 H GLN 99 12.510 10.316 -1.934 772 HA GLN 99 HA GLN 99 12.913 7.521 -1.361 773 HB2 GLN 99 2HB GLN 99 14.972 7.825 -0.088 774 HB3 GLN 99 1HB GLN 99 15.236 8.227 -1.774 775 HG2 GLN 99 2HG GLN 99 15.172 10.596 -1.253 776 HG3 GLN 99 1HG GLN 99 14.755 10.235 0.421 777 HE21 GLN 99 1HE2 GLN 99 17.041 11.687 -0.665 778 HE22 GLN 99 2HE2 GLN 99 18.443 10.844 -0.103 779 H THR 100 H THR 100 13.279 7.410 1.190 780 HA THR 100 HA THR 100 12.319 9.674 2.581 781 HB THR 100 HB THR 100 10.209 8.592 1.734 782 HG1 THR 100 1HG THR 100 9.540 9.514 3.429 783 HG21 THR 100 3HG2 THR 100 9.485 6.466 2.765 784 HG22 THR 100 1HG2 THR 100 11.062 6.316 3.544 785 HG23 THR 100 2HG2 THR 100 10.937 6.249 1.787 786 H TYR 101 H TYR 101 12.039 8.866 4.997 787 HA TYR 101 HA TYR 101 14.328 7.108 5.531 788 HB2 TYR 101 2HB TYR 101 13.460 9.572 7.045 789 HB3 TYR 101 1HB TYR 101 14.630 8.420 7.669 790 HD1 TYR 101 2HD TYR 101 16.637 7.938 5.998 791 HD2 TYR 101 1HD TYR 101 14.234 11.438 5.965 792 HE1 TYR 101 2HE TYR 101 18.431 9.144 4.830 793 HE2 TYR 101 1HE TYR 101 16.017 12.652 4.793 794 HH TYR 101 HH TYR 101 18.330 12.541 4.460 795 H GLY 102 H GLY 102 13.849 5.363 6.611 796 HA2 GLY 102 2HA GLY 102 12.786 4.390 8.538 797 HA3 GLY 102 1HA GLY 102 11.381 5.401 8.190 798 H ASP 103 H ASP 103 9.993 3.684 7.972 799 HA ASP 103 HA ASP 103 10.487 1.941 5.666 800 HB2 ASP 103 2HB ASP 103 10.283 0.679 7.765 801 HB3 ASP 103 1HB ASP 103 8.736 1.465 8.089 802 H VAL 104 H VAL 104 8.933 1.817 4.179 803 HA VAL 104 HA VAL 104 6.949 3.930 4.154 804 HB VAL 104 HB VAL 104 7.417 1.741 2.090 805 HG11 VAL 104 1HG1 VAL 104 5.902 4.345 1.872 806 HG12 VAL 104 2HG1 VAL 104 5.198 2.729 1.929 807 HG13 VAL 104 3HG1 VAL 104 6.191 3.212 0.553 808 HG21 VAL 104 3HG2 VAL 104 8.435 4.583 2.103 809 HG22 VAL 104 1HG2 VAL 104 8.635 3.425 0.789 810 HG23 VAL 104 2HG2 VAL 104 9.412 3.135 2.347 811 H VAL 105 H VAL 105 5.272 3.541 5.392 812 HA VAL 105 HA VAL 105 4.047 0.916 5.230 813 HB VAL 105 HB VAL 105 5.217 0.969 7.355 814 HG11 VAL 105 1HG1 VAL 105 4.725 2.595 9.118 815 HG12 VAL 105 2HG1 VAL 105 3.719 3.501 7.989 816 HG13 VAL 105 3HG1 VAL 105 5.450 3.351 7.696 817 HG21 VAL 105 3HG2 VAL 105 2.249 1.348 7.777 818 HG22 VAL 105 1HG2 VAL 105 3.354 0.584 8.916 819 HG23 VAL 105 2HG2 VAL 105 3.054 -0.159 7.342 820 H VAL 106 H VAL 106 2.107 0.997 4.557 821 HA VAL 106 HA VAL 106 0.609 3.462 4.931 822 HB VAL 106 HB VAL 106 1.011 3.010 2.542 823 HG11 VAL 106 1HG1 VAL 106 0.005 1.063 1.456 824 HG12 VAL 106 2HG1 VAL 106 -0.329 0.384 3.058 825 HG13 VAL 106 3HG1 VAL 106 1.331 0.684 2.538 826 HG21 VAL 106 3HG2 VAL 106 -1.079 4.047 3.086 827 HG22 VAL 106 1HG2 VAL 106 -1.805 2.449 3.329 828 HG23 VAL 106 2HG2 VAL 106 -1.257 2.927 1.720 829 H ARG 107 H ARG 107 -1.136 3.344 6.099 830 HA ARG 107 HA ARG 107 -1.946 0.706 7.086 831 HB2 ARG 107 2HB ARG 107 -2.373 3.452 8.221 832 HB3 ARG 107 1HB ARG 107 -2.987 1.964 8.914 833 HG2 ARG 107 2HG ARG 107 -0.729 1.196 9.326 834 HG3 ARG 107 1HG ARG 107 -0.082 2.642 8.542 835 HD2 ARG 107 2HD ARG 107 -1.171 4.045 10.203 836 HD3 ARG 107 1HD ARG 107 -1.856 2.615 10.958 837 HE ARG 107 HE ARG 107 0.415 1.926 11.478 838 HH11 ARG 107 1HH1 ARG 107 -0.114 5.358 10.733 839 HH12 ARG 107 2HH1 ARG 107 1.214 5.905 11.632 840 HH21 ARG 107 1HH2 ARG 107 2.175 2.680 12.794 841 HH22 ARG 107 2HH2 ARG 107 2.549 4.329 12.876 842 H PHE 108 H PHE 108 -3.865 -0.003 6.619 843 HA PHE 108 HA PHE 108 -5.915 1.882 5.726 844 HB2 PHE 108 2HB PHE 108 -5.579 -1.075 5.095 845 HB3 PHE 108 1HB PHE 108 -7.016 -0.142 4.695 846 HD1 PHE 108 2HD PHE 108 -3.460 -0.617 3.975 847 HD2 PHE 108 1HD PHE 108 -7.057 1.319 2.842 848 HE1 PHE 108 2HE PHE 108 -2.425 0.047 1.857 849 HE2 PHE 108 1HE PHE 108 -6.034 1.992 0.713 850 HZ PHE 108 HZ PHE 108 -3.713 1.355 0.218 851 H GLU 109 H GLU 109 -7.279 2.206 7.298 852 HA GLU 109 HA GLU 109 -7.915 0.022 9.072 853 HB2 GLU 109 2HB GLU 109 -7.425 1.490 11.061 854 HB3 GLU 109 1HB GLU 109 -6.038 0.840 10.200 855 HG2 GLU 109 2HG GLU 109 -5.731 2.979 9.073 856 HG3 GLU 109 1HG GLU 109 -7.130 3.629 9.928 857 H GLN 110 H GLN 110 -9.437 0.819 10.757 858 HA GLN 110 HA GLN 110 -11.337 2.708 9.590 859 HB2 GLN 110 2HB GLN 110 -13.105 1.387 10.710 860 HB3 GLN 110 1HB GLN 110 -12.247 0.500 9.455 861 HG2 GLN 110 2HG GLN 110 -10.980 -0.691 11.086 862 HG3 GLN 110 1HG GLN 110 -11.678 0.255 12.397 863 HE21 GLN 110 1HE2 GLN 110 -13.768 -0.138 13.002 864 HE22 GLN 110 2HE2 GLN 110 -14.613 -1.579 12.539 865 H SER 111 H SER 111 -12.726 3.671 11.203 866 HA SER 111 HA SER 111 -11.712 3.743 13.907 867 HB2 SER 111 2HB SER 111 -10.588 5.628 12.739 868 HB3 SER 111 1HB SER 111 -12.158 6.213 12.193 869 HG SER 111 HG SER 111 -10.964 6.307 14.697 870 H SER 112 H SER 112 -13.393 4.069 15.327 871 HA SER 112 HA SER 112 -16.031 3.772 14.220 872 HB2 SER 112 2HB SER 112 -15.147 2.576 16.315 873 HB3 SER 112 1HB SER 112 -15.272 4.128 17.138 874 HG SER 112 HG SER 112 -17.096 2.373 16.940 875 H ASN 113 H ASN 113 -13.925 6.266 15.168 876 HA ASN 113 HA ASN 113 -15.873 8.252 15.842 877 HB2 ASN 113 2HB ASN 113 -12.921 8.306 15.311 878 HB3 ASN 113 1HB ASN 113 -13.872 9.733 15.684 879 HD21 ASN 113 1HD2 ASN 113 -11.665 8.463 17.106 880 HD22 ASN 113 2HD2 ASN 113 -12.217 8.101 18.686 881 H LEU 114 H LEU 114 -14.950 6.835 13.057 882 HA LEU 114 HA LEU 114 -15.430 9.256 11.483 883 HB2 LEU 114 2HB LEU 114 -13.194 8.031 11.279 884 HB3 LEU 114 1HB LEU 114 -14.087 6.732 10.522 885 HG LEU 114 HG LEU 114 -14.773 8.307 8.720 886 HD11 LEU 114 1HD1 LEU 114 -12.916 10.188 10.177 887 HD12 LEU 114 2HD1 LEU 114 -14.649 10.410 9.918 888 HD13 LEU 114 3HD1 LEU 114 -13.538 10.442 8.552 889 HD21 LEU 114 3HD2 LEU 114 -12.830 6.871 8.420 890 HD22 LEU 114 1HD2 LEU 114 -11.808 8.078 9.202 891 HD23 LEU 114 2HD2 LEU 114 -12.573 8.442 7.658 892 H HIS 115 H HIS 115 -17.194 9.227 10.148 893 HA HIS 115 HA HIS 115 -18.844 6.862 10.384 894 HB2 HIS 115 2HB HIS 115 -19.590 9.738 9.895 895 HB3 HIS 115 1HB HIS 115 -20.742 8.410 9.791 896 HD1 HIS 115 1HD HIS 115 -19.700 10.874 12.159 897 HD2 HIS 115 2HD HIS 115 -20.547 6.807 12.375 898 HE1 HIS 115 1HE HIS 115 -20.122 10.365 14.577 899 H THR 116 H THR 116 -20.472 6.680 8.417 900 HA THR 116 HA THR 116 -18.786 6.110 6.239 901 HB THR 116 HB THR 116 -20.797 4.733 6.783 902 HG1 THR 116 1HG THR 116 -19.814 4.761 4.709 903 HG21 THR 116 3HG2 THR 116 -22.352 7.053 5.612 904 HG22 THR 116 1HG2 THR 116 -22.389 6.532 7.298 905 HG23 THR 116 2HG2 THR 116 -23.020 5.476 6.037 906 H GLY 117 H GLY 117 -18.742 6.965 4.162 907 HA2 GLY 117 2HA GLY 117 -19.062 8.624 2.533 908 HA3 GLY 117 1HA GLY 117 -19.923 9.601 3.725 909 H GLN 118 H GLN 118 -17.433 8.485 5.335 910 HA GLN 118 HA GLN 118 -15.695 10.780 4.765 911 HB2 GLN 118 2HB GLN 118 -16.393 9.453 7.381 912 HB3 GLN 118 1HB GLN 118 -15.182 10.710 7.181 913 HG2 GLN 118 2HG GLN 118 -16.752 12.335 6.751 914 HG3 GLN 118 1HG GLN 118 -17.996 11.165 6.324 915 HE21 GLN 118 1HE2 GLN 118 -19.411 12.080 7.732 916 HE22 GLN 118 2HE2 GLN 118 -19.326 11.910 9.450 917 H PHE 119 H PHE 119 -13.631 10.279 4.423 918 HA PHE 119 HA PHE 119 -12.361 8.009 5.561 919 HB2 PHE 119 2HB PHE 119 -11.752 6.866 3.487 920 HB3 PHE 119 1HB PHE 119 -13.496 7.033 3.560 921 HD1 PHE 119 2HD PHE 119 -14.704 8.470 2.030 922 HD2 PHE 119 1HD PHE 119 -10.472 8.067 1.789 923 HE1 PHE 119 2HE PHE 119 -14.736 9.461 -0.219 924 HE2 PHE 119 1HE PHE 119 -10.500 9.059 -0.462 925 HZ PHE 119 HZ PHE 119 -12.635 9.758 -1.468 926 H ARG 120 H ARG 120 -10.054 8.173 5.156 927 HA ARG 120 HA ARG 120 -9.298 10.748 4.009 928 HB2 ARG 120 2HB ARG 120 -7.788 11.234 5.814 929 HB3 ARG 120 1HB ARG 120 -9.381 10.945 6.508 930 HG2 ARG 120 2HG ARG 120 -8.755 8.768 7.217 931 HG3 ARG 120 1HG ARG 120 -7.226 8.857 6.356 932 HD2 ARG 120 2HD ARG 120 -6.800 9.184 8.689 933 HD3 ARG 120 1HD ARG 120 -6.554 10.712 7.859 934 HE ARG 120 HE ARG 120 -8.648 11.466 8.747 935 HH11 ARG 120 1HH1 ARG 120 -7.550 8.374 10.162 936 HH12 ARG 120 2HH1 ARG 120 -8.200 8.717 11.695 937 HH21 ARG 120 1HH2 ARG 120 -9.547 11.878 10.851 938 HH22 ARG 120 2HH2 ARG 120 -9.371 10.743 12.113 939 H ALA 121 H ALA 121 -7.200 10.772 3.183 940 HA ALA 121 HA ALA 121 -5.524 8.425 3.499 941 HB1 ALA 121 1HB ALA 121 -6.624 8.137 1.306 942 HB2 ALA 121 2HB ALA 121 -4.924 8.560 1.095 943 HB3 ALA 121 3HB ALA 121 -6.170 9.785 0.857 944 H ARG 122 H ARG 122 -3.689 9.242 4.316 945 HA ARG 122 HA ARG 122 -2.769 11.877 3.444 946 HB2 ARG 122 2HB ARG 122 -4.374 11.712 5.640 947 HB3 ARG 122 1HB ARG 122 -2.815 11.416 6.377 948 HG2 ARG 122 2HG ARG 122 -3.602 13.856 4.789 949 HG3 ARG 122 1HG ARG 122 -3.448 13.758 6.537 950 HD2 ARG 122 2HD ARG 122 -1.050 13.320 6.288 951 HD3 ARG 122 1HD ARG 122 -1.221 13.395 4.535 952 HE ARG 122 HE ARG 122 -1.919 15.686 6.224 953 HH11 ARG 122 1HH1 ARG 122 -0.097 14.355 3.455 954 HH12 ARG 122 2HH1 ARG 122 0.554 15.847 3.021 955 HH21 ARG 122 1HH2 ARG 122 -1.021 17.703 5.601 956 HH22 ARG 122 2HH2 ARG 122 0.033 17.821 4.257 957 H GLY 123 H GLY 123 -0.555 11.894 3.434 958 HA2 GLY 123 2HA GLY 123 0.804 9.693 4.818 959 HA3 GLY 123 1HA GLY 123 1.340 10.378 3.283 960 H THR 124 H THR 124 2.553 10.178 6.021 961 HA THR 124 HA THR 124 3.367 12.967 6.103 962 HB THR 124 HB THR 124 1.723 12.592 7.933 963 HG1 THR 124 1HG THR 124 3.068 14.075 8.561 964 HG21 THR 124 3HG2 THR 124 2.114 10.199 8.339 965 HG22 THR 124 1HG2 THR 124 2.286 11.127 9.831 966 HG23 THR 124 2HG2 THR 124 3.720 10.571 8.972 967 H VAL 125 H VAL 125 5.492 13.237 7.020 968 HA VAL 125 HA VAL 125 7.200 10.955 6.472 969 HB VAL 125 HB VAL 125 7.948 13.836 7.117 970 HG11 VAL 125 1HG1 VAL 125 9.719 12.295 7.764 971 HG12 VAL 125 2HG1 VAL 125 10.209 13.217 6.343 972 HG13 VAL 125 3HG1 VAL 125 9.682 11.548 6.169 973 HG21 VAL 125 3HG2 VAL 125 6.806 13.579 4.943 974 HG22 VAL 125 1HG2 VAL 125 8.009 12.380 4.474 975 HG23 VAL 125 2HG2 VAL 125 8.496 14.054 4.752 976 H ASN 126 H ASN 126 7.498 9.632 8.088 977 HA ASN 126 HA ASN 126 8.082 10.732 10.722 978 HB2 ASN 126 2HB ASN 126 5.783 9.830 10.860 979 HB3 ASN 126 1HB ASN 126 6.347 8.292 10.209 980 HD21 ASN 126 1HD2 ASN 126 5.737 7.093 12.024 981 HD22 ASN 126 2HD2 ASN 126 6.539 7.250 13.547 982 HA PRO 127 HA PRO 127 11.412 8.021 9.279 983 HB2 PRO 127 2HB PRO 127 13.403 9.298 10.607 984 HB3 PRO 127 1HB PRO 127 12.802 9.841 9.039 985 HG2 PRO 127 2HG PRO 127 12.179 10.869 11.763 986 HG3 PRO 127 1HG PRO 127 12.452 11.774 10.262 987 HD2 PRO 127 2HD PRO 127 9.989 11.278 11.298 988 HD3 PRO 127 1HD PRO 127 10.286 11.474 9.559 989 H ASP 128 H ASP 128 10.154 8.831 12.339 990 HA ASP 128 HA ASP 128 11.822 6.914 13.673 991 HB2 ASP 128 2HB ASP 128 9.961 8.983 14.711 992 HB3 ASP 128 1HB ASP 128 10.168 7.528 15.680 993 H VAL 129 H VAL 129 11.020 5.519 12.131 994 HA VAL 129 HA VAL 129 9.085 3.853 13.437 995 HB VAL 129 HB VAL 129 7.823 4.698 11.533 996 HG11 VAL 129 1HG1 VAL 129 8.598 4.502 9.218 997 HG12 VAL 129 2HG1 VAL 129 10.157 3.914 9.806 998 HG13 VAL 129 3HG1 VAL 129 9.632 5.555 10.182 999 HG21 VAL 129 3HG2 VAL 129 8.867 1.945 10.866 1000 HG22 VAL 129 1HG2 VAL 129 7.381 2.660 10.240 1001 HG23 VAL 129 2HG2 VAL 129 7.537 2.315 11.961 1002 H GLU 130 H GLU 130 9.946 1.869 13.740 1003 HA GLU 130 HA GLU 130 12.662 1.493 13.128 1004 HB2 GLU 130 2HB GLU 130 10.595 -0.334 14.340 1005 HB3 GLU 130 1HB GLU 130 12.316 -0.710 14.261 1006 HG2 GLU 130 2HG GLU 130 12.890 1.042 15.698 1007 HG3 GLU 130 1HG GLU 130 11.329 1.829 15.516 1008 H THR 131 H THR 131 13.523 0.719 11.368 1009 HA THR 131 HA THR 131 11.802 -0.791 9.581 1010 HB THR 131 HB THR 131 11.906 1.460 8.796 1011 HG1 THR 131 1HG THR 131 12.416 1.074 6.733 1012 HG21 THR 131 3HG2 THR 131 14.870 1.111 8.832 1013 HG22 THR 131 1HG2 THR 131 13.929 2.236 9.803 1014 HG23 THR 131 2HG2 THR 131 14.073 2.493 8.047 1015 H HIS 132 H HIS 132 12.610 -2.605 10.183 1016 HA HIS 132 HA HIS 132 14.783 -3.640 8.690 1017 HB2 HIS 132 2HB HIS 132 15.912 -2.560 10.795 1018 HB3 HIS 132 1HB HIS 132 15.197 -3.903 11.677 1019 HD1 HIS 132 1HD HIS 132 16.267 -6.286 11.263 1020 HD2 HIS 132 2HD HIS 132 18.023 -3.175 9.147 1021 HE1 HIS 132 1HE HIS 132 18.426 -7.194 10.337 Start of MODEL 21 1 H1 MET 1 1HT MET 1 5.715 31.458 6.144 2 H2 MET 1 2HT MET 1 4.533 31.605 7.367 3 H3 MET 1 3HT MET 1 4.163 32.017 5.795 4 HA MET 1 HA MET 1 4.278 29.821 5.040 5 HB2 MET 1 2HB MET 1 5.057 29.129 7.883 6 HB3 MET 1 1HB MET 1 4.544 27.962 6.687 7 HG2 MET 1 2HG MET 1 6.933 27.918 6.884 8 HG3 MET 1 1HG MET 1 6.489 28.546 5.301 9 HE1 MET 1 2HE MET 1 9.373 28.740 6.627 10 HE2 MET 1 3HE MET 1 9.829 30.387 6.195 11 HE3 MET 1 1HE MET 1 9.002 29.364 5.019 12 H GLY 2 H GLY 2 2.659 28.080 5.596 13 HA2 GLY 2 2HA GLY 2 0.729 28.160 7.441 14 HA3 GLY 2 1HA GLY 2 0.231 29.391 6.274 15 H SER 3 H SER 3 -0.968 26.756 6.843 16 HA SER 3 HA SER 3 -0.330 25.285 4.478 17 HB2 SER 3 2HB SER 3 -2.296 24.769 6.718 18 HB3 SER 3 1HB SER 3 -1.994 23.642 5.397 19 HG SER 3 HG SER 3 0.125 23.440 6.075 20 H GLN 4 H GLN 4 -0.928 26.561 2.840 21 HA GLN 4 HA GLN 4 -3.719 27.454 2.631 22 HB2 GLN 4 2HB GLN 4 -1.981 29.170 2.322 23 HB3 GLN 4 1HB GLN 4 -1.284 28.221 1.018 24 HG2 GLN 4 2HG GLN 4 -3.445 28.453 -0.209 25 HG3 GLN 4 1HG GLN 4 -3.977 29.561 1.053 26 HE21 GLN 4 1HE2 GLN 4 -3.572 30.001 -1.767 27 HE22 GLN 4 2HE2 GLN 4 -2.429 31.288 -1.920 28 H LYS 5 H LYS 5 -5.023 26.276 1.424 29 HA LYS 5 HA LYS 5 -4.417 25.476 -1.175 30 HB2 LYS 5 2HB LYS 5 -4.675 23.020 -0.971 31 HB3 LYS 5 1HB LYS 5 -3.242 23.554 -0.118 32 HG2 LYS 5 2HG LYS 5 -5.864 22.982 1.267 33 HG3 LYS 5 1HG LYS 5 -4.628 21.756 1.014 34 HD2 LYS 5 2HD LYS 5 -4.012 24.347 2.418 35 HD3 LYS 5 1HD LYS 5 -4.724 22.999 3.291 36 HE2 LYS 5 2HE LYS 5 -2.280 23.093 3.550 37 HE3 LYS 5 1HE LYS 5 -2.801 21.612 2.773 38 HZ1 LYS 5 3HZ LYS 5 -0.800 22.602 1.842 39 HZ2 LYS 5 1HZ LYS 5 -1.618 23.965 1.317 40 HZ3 LYS 5 2HZ LYS 5 -1.966 22.423 0.685 41 H ARG 6 H ARG 6 -6.379 24.540 -2.144 42 HA ARG 6 HA ARG 6 -8.681 25.332 -0.547 43 HB2 ARG 6 2HB ARG 6 -8.480 24.783 -3.513 44 HB3 ARG 6 1HB ARG 6 -9.927 25.287 -2.661 45 HG2 ARG 6 2HG ARG 6 -8.805 27.407 -2.087 46 HG3 ARG 6 1HG ARG 6 -7.415 26.890 -3.047 47 HD2 ARG 6 2HD ARG 6 -10.230 27.274 -4.049 48 HD3 ARG 6 1HD ARG 6 -8.858 28.338 -4.358 49 HE ARG 6 HE ARG 6 -7.915 26.080 -5.310 50 HH11 ARG 6 1HH1 ARG 6 -11.098 27.547 -5.822 51 HH12 ARG 6 2HH1 ARG 6 -11.330 26.835 -7.353 52 HH21 ARG 6 1HH2 ARG 6 -8.244 25.111 -7.394 53 HH22 ARG 6 2HH2 ARG 6 -9.644 25.436 -8.304 54 H LEU 7 H LEU 7 -9.427 23.669 0.552 55 HA LEU 7 HA LEU 7 -9.197 21.010 -0.538 56 HB2 LEU 7 2HB LEU 7 -9.087 21.709 2.000 57 HB3 LEU 7 1HB LEU 7 -10.829 21.785 1.892 58 HG LEU 7 HG LEU 7 -10.080 19.695 2.919 59 HD11 LEU 7 1HD1 LEU 7 -11.284 18.077 1.567 60 HD12 LEU 7 2HD1 LEU 7 -11.292 19.206 0.211 61 HD13 LEU 7 3HD1 LEU 7 -12.164 19.600 1.695 62 HD21 LEU 7 3HD2 LEU 7 -8.699 19.137 0.297 63 HD22 LEU 7 1HD2 LEU 7 -8.857 18.016 1.649 64 HD23 LEU 7 2HD2 LEU 7 -7.913 19.493 1.838 65 H VAL 8 H VAL 8 -10.327 21.175 -2.363 66 HA VAL 8 HA VAL 8 -12.989 22.267 -2.270 67 HB VAL 8 HB VAL 8 -11.473 23.091 -4.020 68 HG11 VAL 8 1HG1 VAL 8 -10.798 21.708 -5.915 69 HG12 VAL 8 2HG1 VAL 8 -11.446 20.287 -5.091 70 HG13 VAL 8 3HG1 VAL 8 -10.084 21.165 -4.394 71 HG21 VAL 8 3HG2 VAL 8 -13.779 21.496 -5.034 72 HG22 VAL 8 1HG2 VAL 8 -12.969 22.756 -5.971 73 HG23 VAL 8 2HG2 VAL 8 -13.812 23.175 -4.478 74 H GLN 9 H GLN 9 -14.756 21.118 -2.412 75 HA GLN 9 HA GLN 9 -14.403 18.217 -2.572 76 HB2 GLN 9 2HB GLN 9 -16.393 18.021 -1.129 77 HB3 GLN 9 1HB GLN 9 -15.078 18.897 -0.366 78 HG2 GLN 9 2HG GLN 9 -16.220 21.011 -0.893 79 HG3 GLN 9 1HG GLN 9 -17.557 20.092 -1.586 80 HE21 GLN 9 1HE2 GLN 9 -18.939 18.946 -0.187 81 HE22 GLN 9 2HE2 GLN 9 -18.946 19.274 1.504 82 H ARG 10 H ARG 10 -15.000 20.129 -4.826 83 HA ARG 10 HA ARG 10 -17.548 19.062 -5.461 84 HB2 ARG 10 2HB ARG 10 -17.390 20.272 -7.737 85 HB3 ARG 10 1HB ARG 10 -17.575 21.240 -6.295 86 HG2 ARG 10 2HG ARG 10 -16.047 22.390 -7.599 87 HG3 ARG 10 1HG ARG 10 -15.129 21.523 -6.365 88 HD2 ARG 10 2HD ARG 10 -14.035 21.448 -8.593 89 HD3 ARG 10 1HD ARG 10 -14.445 19.850 -7.968 90 HE ARG 10 HE ARG 10 -16.507 20.886 -9.616 91 HH11 ARG 10 1HH1 ARG 10 -13.302 19.377 -9.828 92 HH12 ARG 10 2HH1 ARG 10 -13.568 18.711 -11.379 93 HH21 ARG 10 1HH2 ARG 10 -16.873 19.986 -11.686 94 HH22 ARG 10 2HH2 ARG 10 -15.715 19.027 -12.470 95 H VAL 11 H VAL 11 -17.799 17.147 -6.012 96 HA VAL 11 HA VAL 11 -15.598 15.732 -7.200 97 HB VAL 11 HB VAL 11 -16.812 14.625 -5.389 98 HG11 VAL 11 1HG1 VAL 11 -19.016 15.566 -5.657 99 HG12 VAL 11 2HG1 VAL 11 -19.101 13.803 -5.636 100 HG13 VAL 11 3HG1 VAL 11 -19.233 14.674 -7.162 101 HG21 VAL 11 3HG2 VAL 11 -17.264 12.440 -6.435 102 HG22 VAL 11 1HG2 VAL 11 -15.772 13.168 -7.028 103 HG23 VAL 11 2HG2 VAL 11 -17.229 13.207 -8.021 104 H GLU 12 H GLU 12 -15.339 15.240 -9.236 105 HA GLU 12 HA GLU 12 -17.200 16.279 -11.157 106 HB2 GLU 12 2HB GLU 12 -14.714 16.457 -11.428 107 HB3 GLU 12 1HB GLU 12 -14.641 14.710 -11.588 108 HG2 GLU 12 2HG GLU 12 -14.534 15.789 -13.766 109 HG3 GLU 12 1HG GLU 12 -16.003 14.829 -13.609 110 H ARG 13 H ARG 13 -18.159 15.011 -12.776 111 HA ARG 13 HA ARG 13 -18.440 12.193 -12.109 112 HB2 ARG 13 2HB ARG 13 -20.858 12.261 -12.601 113 HB3 ARG 13 1HB ARG 13 -20.436 13.197 -11.182 114 HG2 ARG 13 2HG ARG 13 -20.862 14.455 -13.878 115 HG3 ARG 13 1HG ARG 13 -22.186 14.155 -12.753 116 HD2 ARG 13 2HD ARG 13 -21.008 15.526 -11.079 117 HD3 ARG 13 1HD ARG 13 -19.747 15.859 -12.257 118 HE ARG 13 HE ARG 13 -21.504 16.918 -13.621 119 HH11 ARG 13 1HH1 ARG 13 -22.103 16.567 -10.136 120 HH12 ARG 13 2HH1 ARG 13 -23.015 17.985 -10.018 121 HH21 ARG 13 1HH2 ARG 13 -22.769 18.898 -13.414 122 HH22 ARG 13 2HH2 ARG 13 -23.430 19.309 -11.904 123 H LYS 14 H LYS 14 -18.970 10.839 -13.825 124 HA LYS 14 HA LYS 14 -19.161 11.803 -16.499 125 HB2 LYS 14 2HB LYS 14 -16.711 12.110 -15.900 126 HB3 LYS 14 1HB LYS 14 -16.634 10.388 -15.584 127 HG2 LYS 14 2HG LYS 14 -15.703 10.797 -17.733 128 HG3 LYS 14 1HG LYS 14 -17.265 10.008 -17.970 129 HD2 LYS 14 2HD LYS 14 -18.286 12.218 -18.359 130 HD3 LYS 14 1HD LYS 14 -16.698 12.959 -18.180 131 HE2 LYS 14 2HE LYS 14 -15.881 11.688 -20.087 132 HE3 LYS 14 1HE LYS 14 -17.459 10.916 -20.253 133 HZ1 LYS 14 3HZ LYS 14 -18.391 13.174 -20.608 134 HZ2 LYS 14 1HZ LYS 14 -17.291 12.710 -21.802 135 HZ3 LYS 14 2HZ LYS 14 -16.835 13.784 -20.581 136 H LEU 15 H LEU 15 -19.749 9.923 -17.817 137 HA LEU 15 HA LEU 15 -20.303 7.558 -16.274 138 HB2 LEU 15 2HB LEU 15 -20.739 8.181 -19.213 139 HB3 LEU 15 1HB LEU 15 -21.058 6.607 -18.532 140 HG LEU 15 HG LEU 15 -23.134 7.715 -18.775 141 HD11 LEU 15 1HD1 LEU 15 -24.018 7.785 -16.535 142 HD12 LEU 15 2HD1 LEU 15 -22.383 7.818 -15.882 143 HD13 LEU 15 3HD1 LEU 15 -22.945 6.406 -16.779 144 HD21 LEU 15 3HD2 LEU 15 -21.969 10.049 -17.250 145 HD22 LEU 15 1HD2 LEU 15 -23.671 9.875 -17.692 146 HD23 LEU 15 2HD2 LEU 15 -22.452 10.022 -18.949 147 H GLU 16 H GLU 16 -18.227 7.265 -15.639 148 HA GLU 16 HA GLU 16 -16.262 6.429 -17.641 149 HB2 GLU 16 2HB GLU 16 -16.140 8.210 -15.505 150 HB3 GLU 16 1HB GLU 16 -15.377 6.764 -14.881 151 HG2 GLU 16 2HG GLU 16 -14.570 8.164 -17.423 152 HG3 GLU 16 1HG GLU 16 -13.793 8.393 -15.863 153 H GLN 17 H GLN 17 -14.873 4.657 -16.916 154 HA GLN 17 HA GLN 17 -16.489 2.433 -16.039 155 HB2 GLN 17 2HB GLN 17 -14.436 1.102 -16.579 156 HB3 GLN 17 1HB GLN 17 -15.036 2.063 -17.924 157 HG2 GLN 17 2HG GLN 17 -13.335 3.789 -17.375 158 HG3 GLN 17 1HG GLN 17 -12.700 2.705 -16.148 159 HE21 GLN 17 1HE2 GLN 17 -10.751 2.720 -17.169 160 HE22 GLN 17 2HE2 GLN 17 -10.415 1.841 -18.606 161 H THR 18 H THR 18 -16.096 1.127 -14.242 162 HA THR 18 HA THR 18 -15.064 2.500 -11.993 163 HB THR 18 HB THR 18 -15.674 0.131 -10.991 164 HG1 THR 18 1HG THR 18 -16.730 -1.169 -12.332 165 HG21 THR 18 3HG2 THR 18 -17.751 2.048 -12.084 166 HG22 THR 18 1HG2 THR 18 -16.921 2.208 -10.540 167 HG23 THR 18 2HG2 THR 18 -18.029 0.864 -10.809 168 H VAL 19 H VAL 19 -12.923 2.638 -11.799 169 HA VAL 19 HA VAL 19 -11.222 0.461 -12.634 170 HB VAL 19 HB VAL 19 -10.450 3.040 -11.224 171 HG11 VAL 19 1HG1 VAL 19 -8.738 1.318 -11.137 172 HG12 VAL 19 2HG1 VAL 19 -8.232 2.636 -12.192 173 HG13 VAL 19 3HG1 VAL 19 -8.824 1.125 -12.889 174 HG21 VAL 19 3HG2 VAL 19 -11.615 3.575 -13.295 175 HG22 VAL 19 1HG2 VAL 19 -10.551 2.490 -14.188 176 HG23 VAL 19 2HG2 VAL 19 -9.896 3.945 -13.436 177 H GLY 20 H GLY 20 -10.543 -1.055 -11.272 178 HA2 GLY 20 2HA GLY 20 -10.165 -2.146 -9.256 179 HA3 GLY 20 1HA GLY 20 -10.640 -0.670 -8.406 180 H ASP 21 H ASP 21 -12.383 -2.250 -10.935 181 HA ASP 21 HA ASP 21 -14.919 -1.973 -9.831 182 HB2 ASP 21 2HB ASP 21 -14.524 -2.403 -12.222 183 HB3 ASP 21 1HB ASP 21 -14.037 -4.050 -11.838 184 H ALA 22 H ALA 22 -12.703 -4.580 -9.612 185 HA ALA 22 HA ALA 22 -14.391 -6.492 -8.406 186 HB1 ALA 22 1HB ALA 22 -12.194 -7.088 -9.347 187 HB2 ALA 22 2HB ALA 22 -12.362 -7.645 -7.682 188 HB3 ALA 22 3HB ALA 22 -11.405 -6.207 -8.038 189 H PHE 23 H PHE 23 -12.328 -4.049 -7.024 190 HA PHE 23 HA PHE 23 -12.865 -4.663 -4.307 191 HB2 PHE 23 2HB PHE 23 -11.962 -2.232 -5.733 192 HB3 PHE 23 1HB PHE 23 -12.057 -2.271 -3.961 193 HD1 PHE 23 2HD PHE 23 -10.671 -4.162 -2.838 194 HD2 PHE 23 1HD PHE 23 -10.033 -2.823 -6.827 195 HE1 PHE 23 2HE PHE 23 -8.401 -5.103 -2.788 196 HE2 PHE 23 1HE PHE 23 -7.762 -3.760 -6.779 197 HZ PHE 23 HZ PHE 23 -6.945 -4.901 -4.760 198 H ALA 24 H ALA 24 -14.323 -2.475 -6.648 199 HA ALA 24 HA ALA 24 -16.062 -1.103 -4.956 200 HB1 ALA 24 1HB ALA 24 -16.550 -1.873 -7.838 201 HB2 ALA 24 2HB ALA 24 -15.642 -0.463 -7.296 202 HB3 ALA 24 3HB ALA 24 -17.367 -0.583 -6.954 203 H ARG 25 H ARG 25 -16.640 -4.089 -6.772 204 HA ARG 25 HA ARG 25 -19.216 -4.417 -5.622 205 HB2 ARG 25 2HB ARG 25 -19.081 -6.735 -6.698 206 HB3 ARG 25 1HB ARG 25 -19.096 -5.307 -7.727 207 HG2 ARG 25 2HG ARG 25 -16.667 -5.497 -7.976 208 HG3 ARG 25 1HG ARG 25 -16.701 -6.962 -6.995 209 HD2 ARG 25 2HD ARG 25 -17.949 -8.133 -8.626 210 HD3 ARG 25 1HD ARG 25 -18.346 -6.647 -9.481 211 HE ARG 25 HE ARG 25 -16.236 -6.550 -10.360 212 HH11 ARG 25 1HH1 ARG 25 -16.531 -9.390 -8.268 213 HH12 ARG 25 2HH1 ARG 25 -15.296 -10.287 -9.018 214 HH21 ARG 25 1HH2 ARG 25 -14.472 -7.781 -11.379 215 HH22 ARG 25 2HH2 ARG 25 -14.079 -9.341 -10.807 216 H ILE 26 H ILE 26 -16.095 -5.491 -4.692 217 HA ILE 26 HA ILE 26 -17.025 -7.343 -2.718 218 HB ILE 26 HB ILE 26 -14.377 -5.854 -2.926 219 HG12 ILE 26 2HG1 ILE 26 -15.048 -8.774 -3.368 220 HG13 ILE 26 1HG1 ILE 26 -14.828 -7.581 -4.643 221 HG21 ILE 26 1HG2 ILE 26 -14.789 -6.319 -0.563 222 HG22 ILE 26 2HG2 ILE 26 -13.488 -7.335 -1.182 223 HG23 ILE 26 3HG2 ILE 26 -15.097 -8.016 -0.940 224 HD11 ILE 26 3HD1 ILE 26 -12.726 -8.490 -2.681 225 HD12 ILE 26 1HD1 ILE 26 -12.494 -7.301 -3.961 226 HD13 ILE 26 2HD1 ILE 26 -12.853 -8.976 -4.373 227 H PHE 27 H PHE 27 -16.340 -3.896 -2.725 228 HA PHE 27 HA PHE 27 -16.896 -3.541 0.055 229 HB2 PHE 27 2HB PHE 27 -16.861 -1.479 -2.165 230 HB3 PHE 27 1HB PHE 27 -16.928 -1.117 -0.448 231 HD1 PHE 27 1HD PHE 27 -14.803 -3.639 -0.124 232 HD2 PHE 27 2HD PHE 27 -14.931 0.096 -2.169 233 HE1 PHE 27 1HE PHE 27 -12.358 -3.535 -0.083 234 HE2 PHE 27 2HE PHE 27 -12.475 0.200 -2.126 235 HZ PHE 27 HZ PHE 27 -11.187 -1.620 -1.084 236 H GLY 28 H GLY 28 -18.740 -3.489 -2.868 237 HA2 GLY 28 2HA GLY 28 -21.021 -4.146 -2.835 238 HA3 GLY 28 1HA GLY 28 -21.151 -3.482 -1.212 239 H GLY 29 H GLY 29 -21.266 -1.233 -0.949 240 HA2 GLY 29 2HA GLY 29 -22.724 0.001 -3.143 241 HA3 GLY 29 1HA GLY 29 -22.622 0.591 -1.490 242 H SER 30 H SER 30 -19.612 0.277 -1.718 243 HA SER 30 HA SER 30 -19.127 2.948 -2.526 244 HB2 SER 30 2HB SER 30 -17.212 0.758 -1.708 245 HB3 SER 30 1HB SER 30 -16.852 2.491 -1.762 246 HG SER 30 HG SER 30 -17.942 1.166 0.281 247 H ILE 31 H ILE 31 -19.075 3.481 -4.556 248 HA ILE 31 HA ILE 31 -18.498 1.565 -6.617 249 HB ILE 31 HB ILE 31 -19.156 3.412 -8.187 250 HG12 ILE 31 2HG1 ILE 31 -19.896 4.830 -5.608 251 HG13 ILE 31 1HG1 ILE 31 -18.591 5.318 -6.676 252 HG21 ILE 31 1HG2 ILE 31 -20.726 1.710 -7.511 253 HG22 ILE 31 2HG2 ILE 31 -21.545 3.276 -7.560 254 HG23 ILE 31 3HG2 ILE 31 -21.068 2.580 -6.015 255 HD11 ILE 31 3HD1 ILE 31 -20.567 6.706 -6.968 256 HD12 ILE 31 1HD1 ILE 31 -21.528 5.283 -7.359 257 HD13 ILE 31 2HD1 ILE 31 -20.230 5.792 -8.437 258 H VAL 32 H VAL 32 -16.665 4.179 -5.205 259 HA VAL 32 HA VAL 32 -14.765 3.833 -7.413 260 HB VAL 32 HB VAL 32 -15.164 6.374 -5.800 261 HG11 VAL 32 1HG1 VAL 32 -12.825 6.018 -6.399 262 HG12 VAL 32 2HG1 VAL 32 -13.518 7.370 -7.296 263 HG13 VAL 32 3HG1 VAL 32 -13.280 5.810 -8.092 264 HG21 VAL 32 3HG2 VAL 32 -16.942 6.046 -7.449 265 HG22 VAL 32 1HG2 VAL 32 -15.734 5.785 -8.708 266 HG23 VAL 32 2HG2 VAL 32 -15.878 7.363 -7.937 267 HA PRO 33 HA PRO 33 -12.228 2.598 -3.848 268 HB2 PRO 33 2HB PRO 33 -11.061 0.615 -5.582 269 HB3 PRO 33 1HB PRO 33 -12.107 0.348 -4.191 270 HG2 PRO 33 2HG PRO 33 -12.855 -0.201 -6.762 271 HG3 PRO 33 1HG PRO 33 -14.000 0.217 -5.478 272 HD2 PRO 33 2HD PRO 33 -12.850 1.959 -7.628 273 HD3 PRO 33 1HD PRO 33 -14.526 1.849 -7.033 274 H GLN 34 H GLN 34 -11.526 3.346 -7.148 275 HA GLN 34 HA GLN 34 -8.691 3.302 -7.064 276 HB2 GLN 34 2HB GLN 34 -9.919 3.074 -9.150 277 HB3 GLN 34 1HB GLN 34 -10.575 4.691 -8.981 278 HG2 GLN 34 2HG GLN 34 -8.744 4.559 -10.635 279 HG3 GLN 34 1HG GLN 34 -8.389 5.667 -9.313 280 HE21 GLN 34 1HE2 GLN 34 -8.183 2.166 -9.033 281 HE22 GLN 34 2HE2 GLN 34 -6.475 2.131 -8.790 282 H GLU 35 H GLU 35 -10.913 5.551 -5.862 283 HA GLU 35 HA GLU 35 -9.466 7.934 -6.204 284 HB2 GLU 35 2HB GLU 35 -11.896 7.684 -5.488 285 HB3 GLU 35 1HB GLU 35 -11.287 7.343 -3.873 286 HG2 GLU 35 2HG GLU 35 -11.925 9.656 -4.042 287 HG3 GLU 35 1HG GLU 35 -10.171 9.533 -3.867 288 H VAL 36 H VAL 36 -9.082 5.275 -4.010 289 HA VAL 36 HA VAL 36 -7.557 6.577 -2.017 290 HB VAL 36 HB VAL 36 -7.465 3.652 -2.849 291 HG11 VAL 36 1HG1 VAL 36 -6.480 4.989 -0.315 292 HG12 VAL 36 2HG1 VAL 36 -5.458 4.324 -1.587 293 HG13 VAL 36 3HG1 VAL 36 -6.483 3.254 -0.632 294 HG21 VAL 36 3HG2 VAL 36 -8.915 3.292 -0.917 295 HG22 VAL 36 1HG2 VAL 36 -9.676 4.366 -2.100 296 HG23 VAL 36 2HG2 VAL 36 -8.948 5.031 -0.629 297 H GLU 37 H GLU 37 -6.560 4.872 -4.986 298 HA GLU 37 HA GLU 37 -3.790 5.247 -4.561 299 HB2 GLU 37 2HB GLU 37 -5.336 4.849 -7.121 300 HB3 GLU 37 1HB GLU 37 -3.589 4.950 -7.058 301 HG2 GLU 37 2HG GLU 37 -3.555 2.993 -5.592 302 HG3 GLU 37 1HG GLU 37 -5.311 2.864 -5.753 303 H ALA 38 H ALA 38 -6.160 7.050 -6.388 304 HA ALA 38 HA ALA 38 -4.470 8.987 -7.477 305 HB1 ALA 38 1HB ALA 38 -6.754 8.593 -8.250 306 HB2 ALA 38 2HB ALA 38 -6.481 10.296 -7.870 307 HB3 ALA 38 3HB ALA 38 -7.378 9.275 -6.747 308 H LEU 39 H LEU 39 -6.355 9.083 -4.476 309 HA LEU 39 HA LEU 39 -5.445 11.699 -3.836 310 HB2 LEU 39 2HB LEU 39 -7.649 10.689 -3.144 311 HB3 LEU 39 1HB LEU 39 -6.781 9.661 -2.042 312 HG LEU 39 HG LEU 39 -7.973 11.629 -1.016 313 HD11 LEU 39 1HD1 LEU 39 -6.219 12.230 0.543 314 HD12 LEU 39 2HD1 LEU 39 -5.013 11.500 -0.521 315 HD13 LEU 39 3HD1 LEU 39 -6.251 10.495 0.229 316 HD21 LEU 39 3HD2 LEU 39 -6.914 13.828 -1.147 317 HD22 LEU 39 1HD2 LEU 39 -7.495 13.287 -2.721 318 HD23 LEU 39 2HD2 LEU 39 -5.773 13.209 -2.336 319 H LEU 40 H LEU 40 -4.355 8.437 -3.042 320 HA LEU 40 HA LEU 40 -2.661 9.336 -0.955 321 HB2 LEU 40 2HB LEU 40 -3.596 6.998 -1.244 322 HB3 LEU 40 1HB LEU 40 -2.366 6.751 -2.463 323 HG LEU 40 HG LEU 40 -0.617 7.132 -0.760 324 HD11 LEU 40 1HD1 LEU 40 -2.979 7.316 1.106 325 HD12 LEU 40 2HD1 LEU 40 -1.792 8.590 0.775 326 HD13 LEU 40 3HD1 LEU 40 -1.310 7.123 1.619 327 HD21 LEU 40 3HD2 LEU 40 -2.672 5.041 -0.076 328 HD22 LEU 40 1HD2 LEU 40 -0.997 5.046 0.489 329 HD23 LEU 40 2HD2 LEU 40 -1.342 4.882 -1.231 330 H ARG 41 H ARG 41 -2.151 8.696 -4.417 331 HA ARG 41 HA ARG 41 0.617 9.302 -4.146 332 HB2 ARG 41 2HB ARG 41 0.749 9.449 -6.652 333 HB3 ARG 41 1HB ARG 41 0.080 7.945 -6.071 334 HG2 ARG 41 2HG ARG 41 -1.108 8.582 -8.041 335 HG3 ARG 41 1HG ARG 41 -2.191 8.822 -6.675 336 HD2 ARG 41 2HD ARG 41 -2.325 10.648 -8.320 337 HD3 ARG 41 1HD ARG 41 -1.790 11.211 -6.740 338 HE ARG 41 HE ARG 41 0.386 10.576 -8.449 339 HH11 ARG 41 1HH1 ARG 41 -2.022 13.113 -7.830 340 HH12 ARG 41 2HH1 ARG 41 -1.035 14.379 -8.395 341 HH21 ARG 41 1HH2 ARG 41 1.740 12.359 -9.252 342 HH22 ARG 41 2HH2 ARG 41 1.093 13.940 -9.204 343 H ARG 42 H ARG 42 -2.179 11.198 -4.471 344 HA ARG 42 HA ARG 42 -0.928 13.656 -5.156 345 HB2 ARG 42 2HB ARG 42 -3.408 13.180 -5.224 346 HB3 ARG 42 1HB ARG 42 -3.408 13.202 -3.474 347 HG2 ARG 42 2HG ARG 42 -2.726 15.565 -3.513 348 HG3 ARG 42 1HG ARG 42 -2.771 15.539 -5.281 349 HD2 ARG 42 2HD ARG 42 -5.151 14.792 -5.119 350 HD3 ARG 42 1HD ARG 42 -5.065 15.074 -3.385 351 HE ARG 42 HE ARG 42 -4.307 17.361 -4.922 352 HH11 ARG 42 1HH1 ARG 42 -7.104 15.624 -3.584 353 HH12 ARG 42 2HH1 ARG 42 -8.160 16.953 -3.695 354 HH21 ARG 42 1HH2 ARG 42 -5.796 19.186 -5.096 355 HH22 ARG 42 2HH2 ARG 42 -7.391 19.009 -4.536 356 H GLU 43 H GLU 43 -1.562 11.900 -2.187 357 HA GLU 43 HA GLU 43 -0.716 13.873 -0.347 358 HB2 GLU 43 2HB GLU 43 -2.136 11.794 0.116 359 HB3 GLU 43 1HB GLU 43 -0.643 10.880 0.049 360 HG2 GLU 43 2HG GLU 43 -1.289 11.364 2.341 361 HG3 GLU 43 1HG GLU 43 0.240 12.148 1.926 362 H ALA 44 H ALA 44 0.875 11.167 -1.945 363 HA ALA 44 HA ALA 44 3.379 11.381 -0.710 364 HB1 ALA 44 1HB ALA 44 2.676 9.441 -2.048 365 HB2 ALA 44 2HB ALA 44 4.228 10.081 -2.587 366 HB3 ALA 44 3HB ALA 44 2.762 10.428 -3.508 367 H ALA 45 H ALA 45 2.036 12.984 -3.529 368 HA ALA 45 HA ALA 45 4.473 14.314 -4.237 369 HB1 ALA 45 1HB ALA 45 1.646 14.884 -5.122 370 HB2 ALA 45 2HB ALA 45 2.764 13.765 -5.908 371 HB3 ALA 45 3HB ALA 45 3.121 15.491 -5.878 372 H ASP 46 H ASP 46 1.651 15.102 -2.351 373 HA ASP 46 HA ASP 46 2.285 17.880 -2.037 374 HB2 ASP 46 2HB ASP 46 -0.023 16.951 -1.868 375 HB3 ASP 46 1HB ASP 46 0.451 16.114 -0.397 376 H GLY 47 H GLY 47 2.895 14.920 -0.320 377 HA2 GLY 47 2HA GLY 47 3.938 16.163 2.042 378 HA3 GLY 47 1HA GLY 47 3.923 14.453 1.668 379 H ILE 48 H ILE 48 5.229 16.142 -0.869 380 HA ILE 48 HA ILE 48 7.783 15.130 -0.641 381 HB ILE 48 HB ILE 48 6.542 17.298 -2.285 382 HG12 ILE 48 2HG1 ILE 48 6.068 15.038 -2.915 383 HG13 ILE 48 1HG1 ILE 48 7.103 15.766 -4.138 384 HG21 ILE 48 1HG2 ILE 48 8.528 17.672 -3.549 385 HG22 ILE 48 2HG2 ILE 48 9.440 16.590 -2.493 386 HG23 ILE 48 3HG2 ILE 48 8.803 18.114 -1.855 387 HD11 ILE 48 3HD1 ILE 48 7.911 13.770 -2.018 388 HD12 ILE 48 1HD1 ILE 48 9.039 14.618 -3.085 389 HD13 ILE 48 2HD1 ILE 48 7.828 13.537 -3.756 390 H GLN 49 H GLN 49 9.629 15.785 0.196 391 HA GLN 49 HA GLN 49 9.626 18.275 1.703 392 HB2 GLN 49 2HB GLN 49 9.407 15.991 2.886 393 HB3 GLN 49 1HB GLN 49 11.040 15.750 2.385 394 HG2 GLN 49 2HG GLN 49 11.891 17.498 3.655 395 HG3 GLN 49 1HG GLN 49 10.280 18.145 3.975 396 HE21 GLN 49 1HE2 GLN 49 12.527 15.612 4.743 397 HE22 GLN 49 2HE2 GLN 49 11.717 15.081 6.171 398 H SER 50 H SER 50 11.538 19.384 1.589 399 HA SER 50 HA SER 50 13.108 18.944 -0.717 400 HB2 SER 50 2HB SER 50 13.346 20.981 1.489 401 HB3 SER 50 1HB SER 50 14.121 21.055 -0.098 402 HG SER 50 HG SER 50 11.602 21.706 0.645 403 H LEU 51 H LEU 51 14.992 18.117 -0.848 404 HA LEU 51 HA LEU 51 16.763 17.749 1.417 405 HB2 LEU 51 2HB LEU 51 15.186 15.711 1.107 406 HB3 LEU 51 1HB LEU 51 15.999 15.451 -0.416 407 HG LEU 51 HG LEU 51 18.152 15.104 0.874 408 HD11 LEU 51 1HD1 LEU 51 17.490 16.366 2.878 409 HD12 LEU 51 2HD1 LEU 51 18.041 14.724 3.228 410 HD13 LEU 51 3HD1 LEU 51 16.318 15.088 3.236 411 HD21 LEU 51 3HD2 LEU 51 15.857 13.362 1.631 412 HD22 LEU 51 1HD2 LEU 51 17.556 12.901 1.673 413 HD23 LEU 51 2HD2 LEU 51 16.771 13.238 0.121 414 H GLN 52 H GLN 52 18.708 16.368 0.080 415 HA GLN 52 HA GLN 52 20.025 18.015 -1.651 416 HB2 GLN 52 2HB GLN 52 20.084 14.989 -1.639 417 HB3 GLN 52 1HB GLN 52 21.329 16.036 -2.300 418 HG2 GLN 52 2HG GLN 52 21.840 16.899 -0.110 419 HG3 GLN 52 1HG GLN 52 20.505 15.992 0.594 420 HE21 GLN 52 1HE2 GLN 52 23.727 15.819 -0.690 421 HE22 GLN 52 2HE2 GLN 52 24.057 14.232 -0.106 422 H GLY 53 H GLY 53 20.179 18.255 -3.821 423 HA2 GLY 53 2HA GLY 53 17.720 18.010 -5.245 424 HA3 GLY 53 1HA GLY 53 19.194 18.759 -5.822 425 H ASN 54 H ASN 54 19.319 15.553 -4.705 426 HA ASN 54 HA ASN 54 19.808 14.541 -7.369 427 HB2 ASN 54 2HB ASN 54 19.720 13.128 -4.684 428 HB3 ASN 54 1HB ASN 54 20.104 12.345 -6.210 429 HD21 ASN 54 1HD2 ASN 54 21.626 12.700 -3.741 430 HD22 ASN 54 2HD2 ASN 54 23.121 13.402 -4.216 431 H ARG 55 H ARG 55 17.513 14.451 -4.743 432 HA ARG 55 HA ARG 55 15.277 14.101 -6.310 433 HB2 ARG 55 2HB ARG 55 14.542 11.828 -5.488 434 HB3 ARG 55 1HB ARG 55 15.821 11.819 -6.689 435 HG2 ARG 55 2HG ARG 55 17.455 11.473 -4.984 436 HG3 ARG 55 1HG ARG 55 16.218 11.531 -3.734 437 HD2 ARG 55 2HD ARG 55 16.833 9.207 -4.276 438 HD3 ARG 55 1HD ARG 55 15.141 9.550 -4.628 439 HE ARG 55 HE ARG 55 16.032 9.903 -6.996 440 HH11 ARG 55 1HH1 ARG 55 17.375 7.503 -4.743 441 HH12 ARG 55 2HH1 ARG 55 17.800 6.411 -5.968 442 HH21 ARG 55 1HH2 ARG 55 16.586 8.393 -8.635 443 HH22 ARG 55 2HH2 ARG 55 17.363 6.922 -8.233 444 H LEU 56 H LEU 56 13.343 13.790 -4.985 445 HA LEU 56 HA LEU 56 13.610 15.441 -2.590 446 HB2 LEU 56 2HB LEU 56 11.214 14.542 -4.161 447 HB3 LEU 56 1HB LEU 56 11.225 15.714 -2.851 448 HG LEU 56 HG LEU 56 12.748 16.093 -5.421 449 HD11 LEU 56 1HD1 LEU 56 10.978 17.572 -6.126 450 HD12 LEU 56 2HD1 LEU 56 10.096 17.257 -4.638 451 HD13 LEU 56 3HD1 LEU 56 10.324 15.959 -5.815 452 HD21 LEU 56 3HD2 LEU 56 12.011 17.976 -3.180 453 HD22 LEU 56 1HD2 LEU 56 12.820 18.439 -4.678 454 HD23 LEU 56 2HD2 LEU 56 13.621 17.359 -3.543 455 H LEU 57 H LEU 57 12.460 14.967 -0.634 456 HA LEU 57 HA LEU 57 12.641 12.135 -0.083 457 HB2 LEU 57 2HB LEU 57 13.889 13.986 1.183 458 HB3 LEU 57 1HB LEU 57 12.346 14.493 1.801 459 HG LEU 57 HG LEU 57 13.657 13.224 3.438 460 HD11 LEU 57 1HD1 LEU 57 11.278 13.153 3.655 461 HD12 LEU 57 2HD1 LEU 57 12.001 11.620 4.143 462 HD13 LEU 57 3HD1 LEU 57 11.193 11.760 2.576 463 HD21 LEU 57 3HD2 LEU 57 14.909 11.769 1.990 464 HD22 LEU 57 1HD2 LEU 57 13.432 10.954 1.482 465 HD23 LEU 57 2HD2 LEU 57 13.997 10.817 3.148 466 H ALA 58 H ALA 58 10.806 11.047 0.048 467 HA ALA 58 HA ALA 58 8.272 12.507 0.078 468 HB1 ALA 58 1HB ALA 58 8.659 11.158 -1.921 469 HB2 ALA 58 2HB ALA 58 7.339 10.473 -0.970 470 HB3 ALA 58 3HB ALA 58 8.940 9.732 -0.922 471 HA PRO 59 HA PRO 59 7.203 10.686 4.002 472 HB2 PRO 59 2HB PRO 59 4.570 9.964 2.868 473 HB3 PRO 59 1HB PRO 59 4.949 10.999 4.249 474 HG2 PRO 59 2HG PRO 59 4.082 12.051 1.975 475 HG3 PRO 59 1HG PRO 59 5.354 12.850 2.915 476 HD2 PRO 59 2HD PRO 59 5.598 11.153 0.465 477 HD3 PRO 59 1HD PRO 59 6.417 12.681 0.862 478 H ASN 60 H ASN 60 6.856 8.703 5.025 479 HA ASN 60 HA ASN 60 6.728 6.326 3.283 480 HB2 ASN 60 2HB ASN 60 8.228 5.142 4.809 481 HB3 ASN 60 1HB ASN 60 9.006 6.598 4.203 482 HD21 ASN 60 1HD2 ASN 60 9.393 4.966 6.623 483 HD22 ASN 60 2HD2 ASN 60 9.319 6.072 7.949 484 H GLU 61 H GLU 61 5.611 7.970 6.066 485 HA GLU 61 HA GLU 61 4.211 5.700 7.217 486 HB2 GLU 61 2HB GLU 61 5.446 7.306 8.626 487 HB3 GLU 61 1HB GLU 61 4.490 8.616 7.973 488 HG2 GLU 61 2HG GLU 61 3.687 8.147 10.156 489 HG3 GLU 61 1HG GLU 61 2.481 7.556 9.017 490 H TYR 62 H TYR 62 2.395 5.270 6.029 491 HA TYR 62 HA TYR 62 0.687 7.555 5.355 492 HB2 TYR 62 2HB TYR 62 1.154 5.045 3.775 493 HB3 TYR 62 1HB TYR 62 -0.193 6.135 3.467 494 HD1 TYR 62 2HD TYR 62 0.200 8.335 2.499 495 HD2 TYR 62 1HD TYR 62 3.411 5.641 3.187 496 HE1 TYR 62 2HE TYR 62 1.632 9.682 1.027 497 HE2 TYR 62 1HE TYR 62 4.848 6.981 1.717 498 HH TYR 62 HH TYR 62 4.735 8.565 0.016 499 H ILE 63 H ILE 63 -0.989 7.578 6.528 500 HA ILE 63 HA ILE 63 -2.211 5.038 7.354 501 HB ILE 63 HB ILE 63 -2.266 7.709 8.794 502 HG12 ILE 63 2HG1 ILE 63 -0.114 6.626 9.071 503 HG13 ILE 63 1HG1 ILE 63 -1.010 6.521 10.577 504 HG21 ILE 63 1HG2 ILE 63 -3.521 5.084 9.597 505 HG22 ILE 63 2HG2 ILE 63 -4.381 6.535 9.091 506 HG23 ILE 63 3HG2 ILE 63 -3.460 6.535 10.598 507 HD11 ILE 63 3HD1 ILE 63 -0.665 4.308 8.558 508 HD12 ILE 63 1HD1 ILE 63 -1.596 4.200 10.054 509 HD13 ILE 63 2HD1 ILE 63 0.151 4.443 10.109 510 H ILE 64 H ILE 64 -4.085 4.664 6.494 511 HA ILE 64 HA ILE 64 -5.611 6.948 5.497 512 HB ILE 64 HB ILE 64 -5.622 4.129 4.329 513 HG12 ILE 64 2HG1 ILE 64 -4.800 5.350 2.214 514 HG13 ILE 64 1HG1 ILE 64 -4.411 6.693 3.273 515 HG21 ILE 64 1HG2 ILE 64 -7.064 5.056 2.581 516 HG22 ILE 64 2HG2 ILE 64 -7.065 6.608 3.423 517 HG23 ILE 64 3HG2 ILE 64 -7.788 5.193 4.187 518 HD11 ILE 64 3HD1 ILE 64 -2.839 5.265 4.487 519 HD12 ILE 64 1HD1 ILE 64 -2.452 5.354 2.768 520 HD13 ILE 64 2HD1 ILE 64 -3.250 3.923 3.422 521 H THR 65 H THR 65 -7.358 7.277 6.554 522 HA THR 65 HA THR 65 -8.481 5.150 8.212 523 HB THR 65 HB THR 65 -8.985 8.132 8.377 524 HG1 THR 65 1HG THR 65 -7.202 6.617 10.009 525 HG21 THR 65 3HG2 THR 65 -9.361 5.884 10.368 526 HG22 THR 65 1HG2 THR 65 -10.645 6.696 9.475 527 HG23 THR 65 2HG2 THR 65 -9.699 7.590 10.666 528 H LEU 66 H LEU 66 -10.217 4.223 7.385 529 HA LEU 66 HA LEU 66 -12.011 5.771 5.650 530 HB2 LEU 66 2HB LEU 66 -10.930 3.070 5.365 531 HB3 LEU 66 1HB LEU 66 -12.674 3.109 5.256 532 HG LEU 66 HG LEU 66 -11.684 3.206 3.043 533 HD11 LEU 66 1HD1 LEU 66 -13.788 4.330 3.358 534 HD12 LEU 66 2HD1 LEU 66 -12.799 5.158 2.162 535 HD13 LEU 66 3HD1 LEU 66 -12.952 5.823 3.788 536 HD21 LEU 66 3HD2 LEU 66 -10.341 5.725 3.993 537 HD22 LEU 66 1HD2 LEU 66 -10.382 5.152 2.321 538 HD23 LEU 66 2HD2 LEU 66 -9.562 4.203 3.556 539 H GLY 67 H GLY 67 -14.269 4.652 5.661 540 HA2 GLY 67 2HA GLY 67 -15.220 4.978 8.329 541 HA3 GLY 67 1HA GLY 67 -16.183 4.596 6.906 542 H VAL 68 H VAL 68 -16.123 3.485 9.633 543 HA VAL 68 HA VAL 68 -15.029 0.890 9.564 544 HB VAL 68 HB VAL 68 -15.632 2.095 11.649 545 HG11 VAL 68 1HG1 VAL 68 -18.487 1.547 10.901 546 HG12 VAL 68 2HG1 VAL 68 -17.701 3.112 11.039 547 HG13 VAL 68 3HG1 VAL 68 -17.934 2.116 12.476 548 HG21 VAL 68 3HG2 VAL 68 -16.870 -0.627 11.294 549 HG22 VAL 68 1HG2 VAL 68 -16.621 0.150 12.863 550 HG23 VAL 68 2HG2 VAL 68 -15.241 -0.238 11.841 551 H HIS 69 H HIS 69 -17.908 2.260 8.348 552 HA HIS 69 HA HIS 69 -19.596 0.102 7.925 553 HB2 HIS 69 2HB HIS 69 -20.258 2.416 7.449 554 HB3 HIS 69 1HB HIS 69 -19.094 2.501 6.134 555 HD1 HIS 69 1HD HIS 69 -19.880 1.636 3.825 556 HD2 HIS 69 2HD HIS 69 -22.516 0.763 6.933 557 HE1 HIS 69 1HE HIS 69 -21.974 0.775 2.748 558 H ASP 70 H ASP 70 -17.055 1.333 5.757 559 HA ASP 70 HA ASP 70 -17.377 -1.054 4.250 560 HB2 ASP 70 2HB ASP 70 -15.927 1.460 3.604 561 HB3 ASP 70 1HB ASP 70 -15.621 -0.021 2.683 562 H PHE 71 H PHE 71 -15.312 0.005 6.664 563 HA PHE 71 HA PHE 71 -13.059 -1.503 6.074 564 HB2 PHE 71 2HB PHE 71 -13.301 0.239 7.867 565 HB3 PHE 71 1HB PHE 71 -14.154 -0.965 8.830 566 HD1 PHE 71 2HD PHE 71 -12.964 -2.923 9.673 567 HD2 PHE 71 1HD PHE 71 -10.990 0.162 7.563 568 HE1 PHE 71 2HE PHE 71 -10.805 -3.765 10.505 569 HE2 PHE 71 1HE PHE 71 -8.803 -0.658 8.386 570 HZ PHE 71 HZ PHE 71 -8.728 -2.630 9.863 571 H GLU 72 H GLU 72 -16.156 -2.441 7.521 572 HA GLU 72 HA GLU 72 -15.293 -4.990 8.336 573 HB2 GLU 72 2HB GLU 72 -17.624 -5.567 8.498 574 HB3 GLU 72 1HB GLU 72 -17.248 -3.947 9.135 575 HG2 GLU 72 2HG GLU 72 -18.239 -2.910 7.251 576 HG3 GLU 72 1HG GLU 72 -18.447 -4.471 6.456 577 H LYS 73 H LYS 73 -16.237 -3.754 5.356 578 HA LYS 73 HA LYS 73 -16.525 -6.226 3.927 579 HB2 LYS 73 2HB LYS 73 -15.908 -3.436 2.929 580 HB3 LYS 73 1HB LYS 73 -15.988 -4.811 1.858 581 HG2 LYS 73 2HG LYS 73 -18.029 -3.466 1.767 582 HG3 LYS 73 1HG LYS 73 -18.357 -5.087 2.368 583 HD2 LYS 73 2HD LYS 73 -18.710 -4.349 4.502 584 HD3 LYS 73 1HD LYS 73 -17.880 -2.821 4.271 585 HE2 LYS 73 2HE LYS 73 -20.551 -3.661 3.104 586 HE3 LYS 73 1HE LYS 73 -20.298 -2.503 4.412 587 HZ1 LYS 73 3HZ LYS 73 -19.480 -2.172 1.578 588 HZ2 LYS 73 1HZ LYS 73 -19.134 -1.030 2.758 589 HZ3 LYS 73 2HZ LYS 73 -20.722 -1.391 2.321 590 H LEU 74 H LEU 74 -13.884 -4.123 4.728 591 HA LEU 74 HA LEU 74 -11.886 -5.465 3.159 592 HB2 LEU 74 2HB LEU 74 -11.541 -3.864 5.707 593 HB3 LEU 74 1HB LEU 74 -10.244 -4.344 4.634 594 HG LEU 74 HG LEU 74 -12.458 -2.393 3.966 595 HD11 LEU 74 1HD1 LEU 74 -10.866 -1.504 5.582 596 HD12 LEU 74 2HD1 LEU 74 -10.681 -0.722 4.014 597 HD13 LEU 74 3HD1 LEU 74 -9.529 -1.957 4.524 598 HD21 LEU 74 3HD2 LEU 74 -10.027 -3.236 2.386 599 HD22 LEU 74 1HD2 LEU 74 -11.150 -1.951 1.944 600 HD23 LEU 74 2HD2 LEU 74 -11.705 -3.620 1.998 601 H GLY 75 H GLY 75 -13.157 -5.761 6.372 602 HA2 GLY 75 2HA GLY 75 -13.354 -8.088 7.175 603 HA3 GLY 75 1HA GLY 75 -11.669 -8.276 6.697 604 H ALA 76 H ALA 76 -11.295 -8.903 8.863 605 HA ALA 76 HA ALA 76 -11.463 -6.818 10.881 606 HB1 ALA 76 1HB ALA 76 -12.086 -9.108 11.493 607 HB2 ALA 76 2HB ALA 76 -10.700 -8.556 12.431 608 HB3 ALA 76 3HB ALA 76 -10.466 -9.660 11.076 609 H ASP 77 H ASP 77 -9.193 -8.302 8.765 610 HA ASP 77 HA ASP 77 -6.953 -6.927 10.082 611 HB2 ASP 77 2HB ASP 77 -6.485 -9.260 9.854 612 HB3 ASP 77 1HB ASP 77 -6.970 -9.252 8.161 613 HA PRO 78 HA PRO 78 -7.063 -4.432 6.315 614 HB2 PRO 78 2HB PRO 78 -5.712 -2.337 7.345 615 HB3 PRO 78 1HB PRO 78 -7.445 -2.559 7.620 616 HG2 PRO 78 2HG PRO 78 -5.142 -3.183 9.421 617 HG3 PRO 78 1HG PRO 78 -6.700 -2.457 9.833 618 HD2 PRO 78 2HD PRO 78 -6.094 -5.097 10.222 619 HD3 PRO 78 1HD PRO 78 -7.745 -4.513 9.960 620 H GLU 79 H GLU 79 -4.405 -5.201 8.493 621 HA GLU 79 HA GLU 79 -2.393 -3.904 7.110 622 HB2 GLU 79 2HB GLU 79 -2.329 -4.367 9.500 623 HB3 GLU 79 1HB GLU 79 -2.055 -6.068 9.165 624 HG2 GLU 79 2HG GLU 79 0.098 -5.638 8.282 625 HG3 GLU 79 1HG GLU 79 -0.205 -3.903 8.208 626 H LEU 80 H LEU 80 -3.293 -7.347 6.783 627 HA LEU 80 HA LEU 80 -0.981 -8.087 5.350 628 HB2 LEU 80 2HB LEU 80 -2.580 -9.726 6.227 629 HB3 LEU 80 1HB LEU 80 -3.805 -9.151 5.122 630 HG LEU 80 HG LEU 80 -2.390 -9.941 3.225 631 HD11 LEU 80 1HD1 LEU 80 -0.721 -11.164 5.413 632 HD12 LEU 80 2HD1 LEU 80 -0.223 -9.914 4.268 633 HD13 LEU 80 3HD1 LEU 80 -0.593 -11.538 3.695 634 HD21 LEU 80 3HD2 LEU 80 -4.231 -11.291 4.044 635 HD22 LEU 80 1HD2 LEU 80 -3.181 -12.019 5.263 636 HD23 LEU 80 2HD2 LEU 80 -2.888 -12.317 3.546 637 H LYS 81 H LYS 81 -3.927 -6.531 4.361 638 HA LYS 81 HA LYS 81 -3.156 -6.667 1.572 639 HB2 LYS 81 2HB LYS 81 -5.646 -5.560 2.889 640 HB3 LYS 81 1HB LYS 81 -5.311 -5.331 1.186 641 HG2 LYS 81 2HG LYS 81 -6.843 -7.185 1.458 642 HG3 LYS 81 1HG LYS 81 -5.302 -7.776 0.857 643 HD2 LYS 81 2HD LYS 81 -6.130 -9.302 2.540 644 HD3 LYS 81 1HD LYS 81 -4.721 -8.459 3.182 645 HE2 LYS 81 2HE LYS 81 -6.219 -6.901 4.364 646 HE3 LYS 81 1HE LYS 81 -7.609 -7.796 3.755 647 HZ1 LYS 81 3HZ LYS 81 -7.172 -8.451 5.935 648 HZ2 LYS 81 1HZ LYS 81 -5.557 -8.789 5.704 649 HZ3 LYS 81 2HZ LYS 81 -6.736 -9.763 4.995 650 H SER 82 H SER 82 -3.059 -4.502 4.203 651 HA SER 82 HA SER 82 -2.578 -2.112 2.801 652 HB2 SER 82 2HB SER 82 -1.535 -2.957 5.509 653 HB3 SER 82 1HB SER 82 -1.664 -1.306 4.909 654 HG SER 82 HG SER 82 -3.989 -2.780 4.811 655 H THR 83 H THR 83 -0.562 -4.837 3.753 656 HA THR 83 HA THR 83 1.959 -3.748 3.213 657 HB THR 83 HB THR 83 1.087 -6.641 2.902 658 HG1 THR 83 1HG THR 83 0.657 -5.484 5.053 659 HG21 THR 83 3HG2 THR 83 3.773 -5.411 3.561 660 HG22 THR 83 1HG2 THR 83 3.329 -6.148 2.021 661 HG23 THR 83 2HG2 THR 83 3.427 -7.142 3.476 662 H GLY 84 H GLY 84 -0.365 -5.517 1.166 663 HA2 GLY 84 2HA GLY 84 1.238 -5.623 -1.162 664 HA3 GLY 84 1HA GLY 84 -0.513 -5.783 -1.112 665 H PHE 85 H PHE 85 -1.082 -3.261 0.018 666 HA PHE 85 HA PHE 85 -1.016 -1.667 -2.337 667 HB2 PHE 85 2HB PHE 85 -2.798 -1.763 -0.428 668 HB3 PHE 85 1HB PHE 85 -1.750 -0.609 0.384 669 HD1 PHE 85 2HD PHE 85 -3.823 -1.180 -2.599 670 HD2 PHE 85 1HD PHE 85 -1.748 1.701 -0.263 671 HE1 PHE 85 2HE PHE 85 -4.927 0.630 -3.858 672 HE2 PHE 85 1HE PHE 85 -2.869 3.510 -1.532 673 HZ PHE 85 HZ PHE 85 -4.438 2.962 -3.317 674 H ALA 86 H ALA 86 0.810 -1.752 0.668 675 HA ALA 86 HA ALA 86 2.220 0.672 0.362 676 HB1 ALA 86 1HB ALA 86 2.126 -0.579 2.500 677 HB2 ALA 86 2HB ALA 86 3.771 -0.180 2.029 678 HB3 ALA 86 3HB ALA 86 3.161 -1.822 1.794 679 H ARG 87 H ARG 87 2.940 -2.627 -0.662 680 HA ARG 87 HA ARG 87 5.467 -2.176 -1.775 681 HB2 ARG 87 2HB ARG 87 4.627 -4.422 -1.457 682 HB3 ARG 87 1HB ARG 87 3.313 -4.127 -2.587 683 HG2 ARG 87 2HG ARG 87 4.926 -3.887 -4.408 684 HG3 ARG 87 1HG ARG 87 6.243 -4.200 -3.283 685 HD2 ARG 87 2HD ARG 87 5.344 -6.390 -2.811 686 HD3 ARG 87 1HD ARG 87 3.980 -6.084 -3.884 687 HE ARG 87 HE ARG 87 5.843 -5.760 -5.605 688 HH11 ARG 87 1HH1 ARG 87 5.930 -8.118 -2.971 689 HH12 ARG 87 2HH1 ARG 87 6.792 -9.297 -3.835 690 HH21 ARG 87 1HH2 ARG 87 7.063 -7.377 -6.816 691 HH22 ARG 87 2HH2 ARG 87 7.462 -8.855 -6.087 692 H ASP 88 H ASP 88 2.258 -1.838 -3.163 693 HA ASP 88 HA ASP 88 3.207 -1.169 -5.755 694 HB2 ASP 88 2HB ASP 88 0.964 -2.109 -5.383 695 HB3 ASP 88 1HB ASP 88 0.492 -0.643 -4.534 696 H LEU 89 H LEU 89 2.251 0.725 -2.935 697 HA LEU 89 HA LEU 89 2.556 3.246 -4.195 698 HB2 LEU 89 2HB LEU 89 1.348 2.933 -2.057 699 HB3 LEU 89 1HB LEU 89 2.867 2.563 -1.270 700 HG LEU 89 HG LEU 89 3.662 4.857 -1.780 701 HD11 LEU 89 1HD1 LEU 89 0.842 5.296 -2.757 702 HD12 LEU 89 2HD1 LEU 89 2.310 5.339 -3.739 703 HD13 LEU 89 3HD1 LEU 89 2.050 6.550 -2.488 704 HD21 LEU 89 3HD2 LEU 89 2.664 4.342 0.374 705 HD22 LEU 89 1HD2 LEU 89 1.064 4.696 -0.276 706 HD23 LEU 89 2HD2 LEU 89 2.260 5.984 -0.132 707 H ALA 90 H ALA 90 4.791 1.093 -2.562 708 HA ALA 90 HA ALA 90 7.042 2.759 -2.553 709 HB1 ALA 90 1HB ALA 90 8.362 0.687 -2.389 710 HB2 ALA 90 2HB ALA 90 6.939 -0.252 -2.841 711 HB3 ALA 90 3HB ALA 90 6.960 0.636 -1.320 712 H ASP 91 H ASP 91 5.613 0.721 -4.972 713 HA ASP 91 HA ASP 91 7.618 0.964 -6.962 714 HB2 ASP 91 2HB ASP 91 5.876 -0.758 -7.152 715 HB3 ASP 91 1HB ASP 91 4.646 0.487 -7.276 716 H TYR 92 H TYR 92 4.628 2.737 -6.355 717 HA TYR 92 HA TYR 92 4.834 4.625 -8.367 718 HB2 TYR 92 2HB TYR 92 3.573 4.750 -5.663 719 HB3 TYR 92 1HB TYR 92 3.650 6.191 -6.665 720 HD1 TYR 92 2HD TYR 92 2.665 6.091 -8.937 721 HD2 TYR 92 1HD TYR 92 1.910 3.131 -6.021 722 HE1 TYR 92 2HE TYR 92 0.623 5.394 -10.178 723 HE2 TYR 92 1HE TYR 92 -0.104 2.414 -7.223 724 HH TYR 92 HH TYR 92 -1.677 3.196 -8.812 725 H ILE 93 H ILE 93 6.192 4.868 -5.094 726 HA ILE 93 HA ILE 93 7.204 7.401 -5.693 727 HB ILE 93 HB ILE 93 8.567 7.311 -3.636 728 HG12 ILE 93 2HG1 ILE 93 7.545 4.473 -3.387 729 HG13 ILE 93 1HG1 ILE 93 9.200 4.919 -3.766 730 HG21 ILE 93 1HG2 ILE 93 6.706 7.070 -2.045 731 HG22 ILE 93 2HG2 ILE 93 5.754 6.271 -3.294 732 HG23 ILE 93 3HG2 ILE 93 6.221 7.959 -3.490 733 HD11 ILE 93 3HD1 ILE 93 8.982 4.294 -1.429 734 HD12 ILE 93 1HD1 ILE 93 7.752 5.536 -1.198 735 HD13 ILE 93 2HD1 ILE 93 9.410 6.000 -1.579 736 H GLN 94 H GLN 94 8.591 4.206 -6.085 737 HA GLN 94 HA GLN 94 11.223 4.992 -6.773 738 HB2 GLN 94 2HB GLN 94 9.554 2.606 -7.580 739 HB3 GLN 94 1HB GLN 94 11.201 2.820 -8.140 740 HG2 GLN 94 2HG GLN 94 12.025 2.698 -5.861 741 HG3 GLN 94 1HG GLN 94 10.372 2.602 -5.247 742 HE21 GLN 94 1HE2 GLN 94 10.845 0.579 -4.267 743 HE22 GLN 94 2HE2 GLN 94 10.968 -0.860 -5.217 744 H GLU 95 H GLU 95 8.284 4.556 -8.684 745 HA GLU 95 HA GLU 95 9.380 5.208 -11.156 746 HB2 GLU 95 2HB GLU 95 6.636 5.138 -10.030 747 HB3 GLU 95 1HB GLU 95 6.844 5.715 -11.661 748 HG2 GLU 95 2HG GLU 95 7.504 2.999 -10.532 749 HG3 GLU 95 1HG GLU 95 6.315 3.398 -11.774 750 H GLN 96 H GLN 96 8.059 7.211 -8.624 751 HA GLN 96 HA GLN 96 8.264 9.606 -10.235 752 HB2 GLN 96 2HB GLN 96 7.851 9.351 -7.265 753 HB3 GLN 96 1HB GLN 96 7.550 10.787 -8.220 754 HG2 GLN 96 2HG GLN 96 6.037 8.185 -8.247 755 HG3 GLN 96 1HG GLN 96 5.454 9.767 -7.747 756 HE21 GLN 96 1HE2 GLN 96 4.521 7.822 -9.736 757 HE22 GLN 96 2HE2 GLN 96 4.403 8.665 -11.217 758 H GLY 97 H GLY 97 10.348 7.725 -8.404 759 HA2 GLY 97 2HA GLY 97 12.598 7.855 -8.151 760 HA3 GLY 97 1HA GLY 97 12.578 9.388 -9.003 761 H TRP 98 H TRP 98 10.778 8.658 -6.074 762 HA TRP 98 HA TRP 98 12.305 10.781 -4.765 763 HB2 TRP 98 2HB TRP 98 9.719 9.464 -3.912 764 HB3 TRP 98 1HB TRP 98 10.512 10.796 -3.084 765 HD1 TRP 98 HD TRP 98 11.138 12.616 -5.642 766 HE1 TRP 98 1HE TRP 98 9.217 13.816 -6.823 767 HE3 TRP 98 3HE TRP 98 7.274 9.718 -3.989 768 HZ2 TRP 98 2HZ TRP 98 6.378 13.573 -7.019 769 HZ3 TRP 98 3HZ TRP 98 4.988 10.274 -4.710 770 HH2 TRP 98 HH TRP 98 4.553 12.160 -6.192 771 H GLN 99 H GLN 99 12.655 10.420 -2.348 772 HA GLN 99 HA GLN 99 13.380 7.631 -1.800 773 HB2 GLN 99 2HB GLN 99 15.489 8.400 -0.756 774 HB3 GLN 99 1HB GLN 99 15.436 8.753 -2.472 775 HG2 GLN 99 2HG GLN 99 14.828 11.101 -1.930 776 HG3 GLN 99 1HG GLN 99 15.004 10.712 -0.220 777 HE21 GLN 99 1HE2 GLN 99 16.511 12.631 -1.927 778 HE22 GLN 99 2HE2 GLN 99 18.158 12.140 -1.761 779 H THR 100 H THR 100 13.829 7.360 0.667 780 HA THR 100 HA THR 100 12.678 9.287 2.380 781 HB THR 100 HB THR 100 10.617 8.237 1.351 782 HG1 THR 100 1HG THR 100 9.958 8.927 3.143 783 HG21 THR 100 3HG2 THR 100 11.440 5.937 1.078 784 HG22 THR 100 1HG2 THR 100 9.978 5.957 2.064 785 HG23 THR 100 2HG2 THR 100 11.557 5.760 2.825 786 H TYR 101 H TYR 101 12.337 7.990 4.643 787 HA TYR 101 HA TYR 101 14.746 6.324 4.933 788 HB2 TYR 101 2HB TYR 101 13.733 8.377 6.922 789 HB3 TYR 101 1HB TYR 101 15.097 7.295 7.178 790 HD1 TYR 101 1HD TYR 101 17.009 7.452 5.409 791 HD2 TYR 101 2HD TYR 101 14.111 10.494 6.065 792 HE1 TYR 101 1HE TYR 101 18.501 9.094 4.355 793 HE2 TYR 101 2HE TYR 101 15.599 12.140 5.013 794 HH TYR 101 HH TYR 101 17.983 12.414 4.582 795 H GLY 102 H GLY 102 14.328 4.387 5.664 796 HA2 GLY 102 2HA GLY 102 13.306 2.945 7.268 797 HA3 GLY 102 1HA GLY 102 11.879 3.982 7.221 798 H ASP 103 H ASP 103 10.699 2.029 6.716 799 HA ASP 103 HA ASP 103 10.896 1.412 3.856 800 HB2 ASP 103 2HB ASP 103 11.354 -0.561 5.325 801 HB3 ASP 103 1HB ASP 103 9.781 -0.328 6.078 802 H VAL 104 H VAL 104 8.848 1.251 2.769 803 HA VAL 104 HA VAL 104 7.068 3.305 3.582 804 HB VAL 104 HB VAL 104 6.684 1.232 1.399 805 HG11 VAL 104 1HG1 VAL 104 4.594 2.344 1.991 806 HG12 VAL 104 2HG1 VAL 104 5.143 2.863 0.397 807 HG13 VAL 104 3HG1 VAL 104 5.360 3.920 1.791 808 HG21 VAL 104 3HG2 VAL 104 7.546 2.948 -0.124 809 HG22 VAL 104 1HG2 VAL 104 8.745 2.484 1.083 810 HG23 VAL 104 2HG2 VAL 104 7.864 4.001 1.254 811 H VAL 105 H VAL 105 5.424 3.167 4.950 812 HA VAL 105 HA VAL 105 4.195 0.566 5.283 813 HB VAL 105 HB VAL 105 5.520 1.033 7.278 814 HG11 VAL 105 1HG1 VAL 105 3.917 3.561 7.569 815 HG12 VAL 105 2HG1 VAL 105 5.646 3.443 7.227 816 HG13 VAL 105 3HG1 VAL 105 5.011 2.910 8.785 817 HG21 VAL 105 3HG2 VAL 105 3.447 -0.187 7.609 818 HG22 VAL 105 1HG2 VAL 105 2.564 1.327 7.806 819 HG23 VAL 105 2HG2 VAL 105 3.764 0.846 9.002 820 H VAL 106 H VAL 106 2.230 0.523 4.723 821 HA VAL 106 HA VAL 106 0.605 2.953 4.839 822 HB VAL 106 HB VAL 106 0.416 0.647 2.852 823 HG11 VAL 106 1HG1 VAL 106 -1.365 1.933 1.781 824 HG12 VAL 106 2HG1 VAL 106 -1.254 3.144 3.053 825 HG13 VAL 106 3HG1 VAL 106 -1.793 1.508 3.438 826 HG21 VAL 106 3HG2 VAL 106 1.149 3.539 2.399 827 HG22 VAL 106 1HG2 VAL 106 0.968 2.317 1.148 828 HG23 VAL 106 2HG2 VAL 106 2.259 2.170 2.340 829 H ARG 107 H ARG 107 -0.973 2.755 6.230 830 HA ARG 107 HA ARG 107 -2.047 0.096 6.780 831 HB2 ARG 107 2HB ARG 107 -1.092 2.104 8.787 832 HB3 ARG 107 1HB ARG 107 -2.358 0.955 9.183 833 HG2 ARG 107 2HG ARG 107 -0.881 -0.898 8.801 834 HG3 ARG 107 1HG ARG 107 0.380 0.181 8.200 835 HD2 ARG 107 2HD ARG 107 0.735 1.118 10.324 836 HD3 ARG 107 1HD ARG 107 -0.761 0.455 10.964 837 HE ARG 107 HE ARG 107 0.407 -1.797 10.560 838 HH11 ARG 107 1HH1 ARG 107 2.224 1.126 11.458 839 HH12 ARG 107 2HH1 ARG 107 3.328 0.287 12.424 840 HH21 ARG 107 1HH2 ARG 107 1.841 -2.894 11.868 841 HH22 ARG 107 2HH2 ARG 107 3.136 -2.087 12.655 842 H PHE 108 H PHE 108 -4.146 -0.034 6.922 843 HA PHE 108 HA PHE 108 -5.687 2.431 6.653 844 HB2 PHE 108 2HB PHE 108 -6.444 -0.442 6.045 845 HB3 PHE 108 1HB PHE 108 -7.516 0.937 5.869 846 HD1 PHE 108 2HD PHE 108 -4.579 -0.778 4.521 847 HD2 PHE 108 1HD PHE 108 -7.316 2.421 3.982 848 HE1 PHE 108 2HE PHE 108 -3.786 -0.508 2.216 849 HE2 PHE 108 1HE PHE 108 -6.534 2.706 1.664 850 HZ PHE 108 HZ PHE 108 -4.762 1.240 0.778 851 H GLU 109 H GLU 109 -7.253 2.888 8.121 852 HA GLU 109 HA GLU 109 -7.884 0.890 10.104 853 HB2 GLU 109 2HB GLU 109 -7.716 2.583 11.957 854 HB3 GLU 109 1HB GLU 109 -6.193 2.039 11.283 855 HG2 GLU 109 2HG GLU 109 -6.061 4.114 9.975 856 HG3 GLU 109 1HG GLU 109 -7.548 4.666 10.749 857 H GLN 110 H GLN 110 -9.720 1.564 11.485 858 HA GLN 110 HA GLN 110 -11.714 2.630 9.642 859 HB2 GLN 110 2HB GLN 110 -13.387 1.437 10.924 860 HB3 GLN 110 1HB GLN 110 -12.125 0.329 10.416 861 HG2 GLN 110 2HG GLN 110 -12.215 1.554 13.163 862 HG3 GLN 110 1HG GLN 110 -13.031 0.052 12.764 863 HE21 GLN 110 1HE2 GLN 110 -11.808 -1.764 12.429 864 HE22 GLN 110 2HE2 GLN 110 -10.141 -1.897 12.834 865 H SER 111 H SER 111 -13.189 4.053 10.297 866 HA SER 111 HA SER 111 -12.887 5.274 12.915 867 HB2 SER 111 2HB SER 111 -11.929 6.778 11.280 868 HB3 SER 111 1HB SER 111 -13.336 6.593 10.236 869 HG SER 111 HG SER 111 -12.922 8.245 12.342 870 H SER 112 H SER 112 -14.769 5.243 13.971 871 HA SER 112 HA SER 112 -17.138 4.321 12.634 872 HB2 SER 112 2HB SER 112 -16.461 3.662 14.998 873 HB3 SER 112 1HB SER 112 -16.870 5.302 15.492 874 HG SER 112 HG SER 112 -18.664 4.157 15.858 875 H ASN 113 H ASN 113 -15.718 7.273 13.643 876 HA ASN 113 HA ASN 113 -17.974 9.003 13.656 877 HB2 ASN 113 2HB ASN 113 -15.850 9.555 14.760 878 HB3 ASN 113 1HB ASN 113 -15.040 9.563 13.201 879 HD21 ASN 113 1HD2 ASN 113 -17.125 11.262 15.347 880 HD22 ASN 113 2HD2 ASN 113 -17.088 12.782 14.525 881 H LEU 114 H LEU 114 -15.533 8.183 11.300 882 HA LEU 114 HA LEU 114 -16.621 9.939 9.300 883 HB2 LEU 114 2HB LEU 114 -14.239 9.800 9.638 884 HB3 LEU 114 1HB LEU 114 -14.260 8.075 9.431 885 HG LEU 114 HG LEU 114 -14.937 9.901 7.129 886 HD11 LEU 114 1HD1 LEU 114 -12.566 9.852 6.541 887 HD12 LEU 114 2HD1 LEU 114 -12.206 8.934 8.002 888 HD13 LEU 114 3HD1 LEU 114 -12.773 10.600 8.123 889 HD21 LEU 114 3HD2 LEU 114 -14.096 8.030 5.834 890 HD22 LEU 114 1HD2 LEU 114 -15.369 7.484 6.923 891 HD23 LEU 114 2HD2 LEU 114 -13.677 7.165 7.312 892 H HIS 115 H HIS 115 -17.683 9.310 7.445 893 HA HIS 115 HA HIS 115 -18.390 6.460 7.270 894 HB2 HIS 115 2HB HIS 115 -20.347 7.873 7.982 895 HB3 HIS 115 1HB HIS 115 -20.117 8.814 6.503 896 HD1 HIS 115 1HD HIS 115 -21.287 7.959 4.400 897 HD2 HIS 115 2HD HIS 115 -21.218 5.168 7.481 898 HE1 HIS 115 1HE HIS 115 -22.723 6.056 3.640 899 H THR 116 H THR 116 -18.836 5.719 5.133 900 HA THR 116 HA THR 116 -16.876 6.227 3.296 901 HB THR 116 HB THR 116 -19.594 5.072 2.714 902 HG1 THR 116 1HG THR 116 -18.304 3.103 3.442 903 HG21 THR 116 3HG2 THR 116 -18.025 5.322 0.820 904 HG22 THR 116 1HG2 THR 116 -18.266 3.621 1.223 905 HG23 THR 116 2HG2 THR 116 -16.795 4.449 1.731 906 H GLY 117 H GLY 117 -16.621 7.835 1.974 907 HA2 GLY 117 2HA GLY 117 -17.745 9.141 0.119 908 HA3 GLY 117 1HA GLY 117 -18.842 9.665 1.414 909 H GLN 118 H GLN 118 -16.843 9.441 3.393 910 HA GLN 118 HA GLN 118 -15.052 11.658 2.793 911 HB2 GLN 118 2HB GLN 118 -16.790 12.051 4.599 912 HB3 GLN 118 1HB GLN 118 -16.155 10.655 5.446 913 HG2 GLN 118 2HG GLN 118 -14.001 11.779 5.699 914 HG3 GLN 118 1HG GLN 118 -14.653 13.153 4.807 915 HE21 GLN 118 1HE2 GLN 118 -14.674 11.458 7.838 916 HE22 GLN 118 2HE2 GLN 118 -15.489 12.676 8.727 917 H PHE 119 H PHE 119 -12.861 11.167 3.350 918 HA PHE 119 HA PHE 119 -12.245 8.832 4.835 919 HB2 PHE 119 2HB PHE 119 -10.886 7.705 3.128 920 HB3 PHE 119 1HB PHE 119 -12.546 7.819 2.588 921 HD1 PHE 119 2HD PHE 119 -13.148 9.473 0.813 922 HD2 PHE 119 1HD PHE 119 -9.120 8.669 1.916 923 HE1 PHE 119 2HE PHE 119 -12.374 10.464 -1.303 924 HE2 PHE 119 1HE PHE 119 -8.339 9.643 -0.178 925 HZ PHE 119 HZ PHE 119 -9.966 10.549 -1.807 926 H ARG 120 H ARG 120 -9.910 8.779 5.270 927 HA ARG 120 HA ARG 120 -8.707 11.394 4.805 928 HB2 ARG 120 2HB ARG 120 -8.921 9.956 7.445 929 HB3 ARG 120 1HB ARG 120 -7.770 11.244 7.155 930 HG2 ARG 120 2HG ARG 120 -10.753 11.571 6.873 931 HG3 ARG 120 1HG ARG 120 -9.866 11.915 8.354 932 HD2 ARG 120 2HD ARG 120 -10.225 13.967 7.152 933 HD3 ARG 120 1HD ARG 120 -8.510 13.570 7.108 934 HE ARG 120 HE ARG 120 -10.093 12.742 4.822 935 HH11 ARG 120 1HH1 ARG 120 -7.836 15.147 6.161 936 HH12 ARG 120 2HH1 ARG 120 -7.513 15.847 4.651 937 HH21 ARG 120 1HH2 ARG 120 -9.582 13.739 2.719 938 HH22 ARG 120 2HH2 ARG 120 -8.499 15.031 2.695 939 H ALA 121 H ALA 121 -6.580 11.383 4.433 940 HA ALA 121 HA ALA 121 -5.084 8.949 4.878 941 HB1 ALA 121 1HB ALA 121 -5.205 10.440 2.246 942 HB2 ALA 121 2HB ALA 121 -5.828 8.817 2.538 943 HB3 ALA 121 3HB ALA 121 -4.094 9.125 2.623 944 H ARG 122 H ARG 122 -3.137 9.440 5.632 945 HA ARG 122 HA ARG 122 -2.198 12.184 5.330 946 HB2 ARG 122 2HB ARG 122 -3.330 11.904 7.527 947 HB3 ARG 122 1HB ARG 122 -2.213 10.609 7.910 948 HG2 ARG 122 2HG ARG 122 -0.350 12.179 7.844 949 HG3 ARG 122 1HG ARG 122 -1.462 13.479 7.409 950 HD2 ARG 122 2HD ARG 122 -2.668 13.144 9.503 951 HD3 ARG 122 1HD ARG 122 -1.528 11.871 9.939 952 HE ARG 122 HE ARG 122 -0.104 14.172 9.343 953 HH11 ARG 122 1HH1 ARG 122 -2.370 13.009 11.802 954 HH12 ARG 122 2HH1 ARG 122 -1.727 13.948 13.063 955 HH21 ARG 122 1HH2 ARG 122 0.814 15.465 11.105 956 HH22 ARG 122 2HH2 ARG 122 0.116 15.370 12.660 957 H GLY 123 H GLY 123 -0.063 12.301 4.944 958 HA2 GLY 123 2HA GLY 123 1.517 9.856 5.197 959 HA3 GLY 123 1HA GLY 123 1.521 10.795 3.705 960 H THR 124 H THR 124 3.308 10.222 6.261 961 HA THR 124 HA THR 124 4.529 12.851 6.119 962 HB THR 124 HB THR 124 3.007 12.945 8.069 963 HG1 THR 124 1HG THR 124 5.016 13.091 9.681 964 HG21 THR 124 3HG2 THR 124 4.662 10.659 9.160 965 HG22 THR 124 1HG2 THR 124 2.980 10.557 8.638 966 HG23 THR 124 2HG2 THR 124 3.403 11.531 10.041 967 H VAL 125 H VAL 125 6.672 12.733 7.456 968 HA VAL 125 HA VAL 125 8.038 10.302 6.578 969 HB VAL 125 HB VAL 125 9.220 12.958 7.451 970 HG11 VAL 125 1HG1 VAL 125 10.538 10.570 6.153 971 HG12 VAL 125 2HG1 VAL 125 10.751 11.087 7.823 972 HG13 VAL 125 3HG1 VAL 125 11.323 12.110 6.503 973 HG21 VAL 125 3HG2 VAL 125 8.924 11.824 4.672 974 HG22 VAL 125 1HG2 VAL 125 9.677 13.358 5.095 975 HG23 VAL 125 2HG2 VAL 125 7.941 13.123 5.344 976 H ASN 126 H ASN 126 8.160 8.817 8.075 977 HA ASN 126 HA ASN 126 8.824 9.605 10.826 978 HB2 ASN 126 2HB ASN 126 6.461 8.875 10.711 979 HB3 ASN 126 1HB ASN 126 6.980 7.383 9.939 980 HD21 ASN 126 1HD2 ASN 126 6.001 6.188 11.569 981 HD22 ASN 126 2HD2 ASN 126 6.729 6.017 13.129 982 HA PRO 127 HA PRO 127 12.053 6.725 9.346 983 HB2 PRO 127 2HB PRO 127 13.811 8.068 11.238 984 HB3 PRO 127 1HB PRO 127 13.922 8.024 9.478 985 HG2 PRO 127 2HG PRO 127 13.297 10.273 10.900 986 HG3 PRO 127 1HG PRO 127 12.772 9.999 9.231 987 HD2 PRO 127 2HD PRO 127 11.264 9.677 11.787 988 HD3 PRO 127 1HD PRO 127 10.709 10.307 10.215 989 H ASP 128 H ASP 128 10.801 7.557 12.388 990 HA ASP 128 HA ASP 128 12.240 5.558 13.955 991 HB2 ASP 128 2HB ASP 128 10.001 7.430 14.723 992 HB3 ASP 128 1HB ASP 128 10.844 6.367 15.839 993 H VAL 129 H VAL 129 10.331 4.959 11.772 994 HA VAL 129 HA VAL 129 8.033 3.812 12.914 995 HB VAL 129 HB VAL 129 7.938 4.551 10.614 996 HG11 VAL 129 1HG1 VAL 129 9.191 3.474 8.795 997 HG12 VAL 129 2HG1 VAL 129 10.086 2.536 9.995 998 HG13 VAL 129 3HG1 VAL 129 10.230 4.294 9.962 999 HG21 VAL 129 3HG2 VAL 129 7.754 1.541 10.774 1000 HG22 VAL 129 1HG2 VAL 129 7.053 2.531 9.492 1001 HG23 VAL 129 2HG2 VAL 129 6.476 2.697 11.149 1002 H GLU 130 H GLU 130 8.138 2.283 14.201 1003 HA GLU 130 HA GLU 130 10.183 0.275 14.132 1004 HB2 GLU 130 2HB GLU 130 8.955 -0.748 16.073 1005 HB3 GLU 130 1HB GLU 130 9.462 0.906 16.338 1006 HG2 GLU 130 2HG GLU 130 6.658 0.124 15.546 1007 HG3 GLU 130 1HG GLU 130 7.196 0.296 17.212 1008 H THR 131 H THR 131 9.894 -1.911 13.678 1009 HA THR 131 HA THR 131 7.511 -2.423 12.070 1010 HB THR 131 HB THR 131 9.269 -1.885 10.531 1011 HG1 THR 131 1HG THR 131 8.678 -4.669 10.667 1012 HG21 THR 131 3HG2 THR 131 11.359 -3.202 10.384 1013 HG22 THR 131 1HG2 THR 131 10.908 -4.038 11.868 1014 HG23 THR 131 2HG2 THR 131 11.232 -2.302 11.893 1015 H HIS 132 H HIS 132 6.778 -4.539 12.005 1016 HA HIS 132 HA HIS 132 8.095 -6.368 13.876 1017 HB2 HIS 132 2HB HIS 132 5.215 -6.337 12.865 1018 HB3 HIS 132 1HB HIS 132 5.894 -7.587 13.887 1019 HD1 HIS 132 1HD HIS 132 6.047 -7.064 16.434 1020 HD2 HIS 132 2HD HIS 132 4.583 -3.932 14.122 1021 HE1 HIS 132 1HE HIS 132 5.104 -5.386 18.041 Start of MODEL 22 1 H1 MET 1 1HT MET 1 11.178 -26.672 -50.528 2 H2 MET 1 2HT MET 1 10.586 -25.186 -51.095 3 H3 MET 1 3HT MET 1 9.547 -26.252 -50.349 4 HA MET 1 HA MET 1 10.679 -25.984 -48.271 5 HB2 MET 1 2HB MET 1 12.282 -23.895 -49.791 6 HB3 MET 1 1HB MET 1 12.286 -24.100 -48.055 7 HG2 MET 1 2HG MET 1 13.285 -26.286 -48.277 8 HG3 MET 1 1HG MET 1 13.225 -26.157 -50.036 9 HE1 MET 1 2HE MET 1 17.057 -25.890 -49.211 10 HE2 MET 1 3HE MET 1 15.822 -26.763 -50.119 11 HE3 MET 1 1HE MET 1 15.860 -26.864 -48.358 12 H GLY 2 H GLY 2 10.176 -24.130 -46.900 13 HA2 GLY 2 2HA GLY 2 8.540 -22.067 -48.143 14 HA3 GLY 2 1HA GLY 2 7.780 -23.095 -46.923 15 H SER 3 H SER 3 10.879 -21.522 -47.361 16 HA SER 3 HA SER 3 11.487 -21.238 -44.674 17 HB2 SER 3 2HB SER 3 12.499 -19.585 -46.991 18 HB3 SER 3 1HB SER 3 13.317 -19.865 -45.452 19 HG SER 3 HG SER 3 13.606 -21.280 -47.582 20 H GLN 4 H GLN 4 10.009 -18.887 -46.917 21 HA GLN 4 HA GLN 4 9.778 -16.958 -44.767 22 HB2 GLN 4 2HB GLN 4 8.798 -16.808 -47.629 23 HB3 GLN 4 1HB GLN 4 8.789 -15.491 -46.468 24 HG2 GLN 4 2HG GLN 4 11.254 -16.878 -47.484 25 HG3 GLN 4 1HG GLN 4 10.642 -15.335 -48.084 26 HE21 GLN 4 1HE2 GLN 4 10.893 -13.541 -46.833 27 HE22 GLN 4 2HE2 GLN 4 11.907 -13.482 -45.441 28 H LYS 5 H LYS 5 8.190 -17.269 -43.365 29 HA LYS 5 HA LYS 5 5.687 -18.251 -44.450 30 HB2 LYS 5 2HB LYS 5 5.040 -18.979 -42.130 31 HB3 LYS 5 1HB LYS 5 6.385 -19.860 -42.802 32 HG2 LYS 5 2HG LYS 5 6.738 -17.590 -40.843 33 HG3 LYS 5 1HG LYS 5 6.484 -19.250 -40.325 34 HD2 LYS 5 2HD LYS 5 8.798 -18.300 -42.056 35 HD3 LYS 5 1HD LYS 5 8.870 -18.566 -40.320 36 HE2 LYS 5 2HE LYS 5 8.233 -20.691 -42.380 37 HE3 LYS 5 1HE LYS 5 9.800 -20.439 -41.624 38 HZ1 LYS 5 3HZ LYS 5 8.757 -20.912 -39.457 39 HZ2 LYS 5 1HZ LYS 5 8.614 -22.198 -40.534 40 HZ3 LYS 5 2HZ LYS 5 7.292 -21.230 -40.243 41 H ARG 6 H ARG 6 3.971 -17.060 -44.408 42 HA ARG 6 HA ARG 6 4.366 -14.300 -43.522 43 HB2 ARG 6 2HB ARG 6 2.254 -15.487 -45.334 44 HB3 ARG 6 1HB ARG 6 2.544 -13.776 -45.055 45 HG2 ARG 6 2HG ARG 6 4.537 -15.657 -46.309 46 HG3 ARG 6 1HG ARG 6 3.460 -14.585 -47.208 47 HD2 ARG 6 2HD ARG 6 5.458 -13.633 -45.158 48 HD3 ARG 6 1HD ARG 6 5.794 -13.716 -46.886 49 HE ARG 6 HE ARG 6 3.573 -12.292 -46.870 50 HH11 ARG 6 1HH1 ARG 6 6.454 -11.896 -44.841 51 HH12 ARG 6 2HH1 ARG 6 6.338 -10.208 -44.746 52 HH21 ARG 6 1HH2 ARG 6 3.415 -9.996 -46.767 53 HH22 ARG 6 2HH2 ARG 6 4.562 -9.085 -45.895 54 H LEU 7 H LEU 7 2.629 -13.183 -42.472 55 HA LEU 7 HA LEU 7 1.178 -12.869 -40.797 56 HB2 LEU 7 2HB LEU 7 -0.111 -15.398 -41.857 57 HB3 LEU 7 1HB LEU 7 -0.780 -14.482 -40.529 58 HG LEU 7 HG LEU 7 -0.998 -12.529 -42.122 59 HD11 LEU 7 1HD1 LEU 7 -1.033 -12.987 -44.512 60 HD12 LEU 7 2HD1 LEU 7 -0.407 -14.609 -44.209 61 HD13 LEU 7 3HD1 LEU 7 0.578 -13.199 -43.826 62 HD21 LEU 7 3HD2 LEU 7 -3.021 -13.420 -43.191 63 HD22 LEU 7 1HD2 LEU 7 -2.901 -13.863 -41.487 64 HD23 LEU 7 2HD2 LEU 7 -2.519 -15.048 -42.733 65 H VAL 8 H VAL 8 2.982 -13.148 -39.461 66 HA VAL 8 HA VAL 8 2.744 -15.528 -37.777 67 HB VAL 8 HB VAL 8 5.345 -14.109 -38.453 68 HG11 VAL 8 1HG1 VAL 8 6.451 -15.933 -37.252 69 HG12 VAL 8 2HG1 VAL 8 4.881 -16.616 -36.839 70 HG13 VAL 8 3HG1 VAL 8 5.355 -15.046 -36.191 71 HG21 VAL 8 3HG2 VAL 8 4.364 -16.827 -39.306 72 HG22 VAL 8 1HG2 VAL 8 5.964 -16.157 -39.616 73 HG23 VAL 8 2HG2 VAL 8 4.539 -15.409 -40.342 74 H GLN 9 H GLN 9 1.331 -14.287 -36.517 75 HA GLN 9 HA GLN 9 2.747 -12.977 -34.397 76 HB2 GLN 9 2HB GLN 9 1.257 -11.023 -34.254 77 HB3 GLN 9 1HB GLN 9 2.111 -11.027 -35.779 78 HG2 GLN 9 2HG GLN 9 -0.750 -11.922 -35.442 79 HG3 GLN 9 1HG GLN 9 -0.275 -10.287 -35.874 80 HE21 GLN 9 1HE2 GLN 9 0.584 -9.916 -37.908 81 HE22 GLN 9 2HE2 GLN 9 0.403 -11.027 -39.205 82 H ARG 10 H ARG 10 1.991 -13.730 -32.523 83 HA ARG 10 HA ARG 10 -0.482 -15.253 -32.658 84 HB2 ARG 10 2HB ARG 10 1.517 -15.089 -30.382 85 HB3 ARG 10 1HB ARG 10 0.153 -16.183 -30.468 86 HG2 ARG 10 2HG ARG 10 1.189 -17.246 -32.469 87 HG3 ARG 10 1HG ARG 10 2.582 -16.190 -32.248 88 HD2 ARG 10 2HD ARG 10 3.096 -18.300 -31.268 89 HD3 ARG 10 1HD ARG 10 2.858 -17.150 -29.959 90 HE ARG 10 HE ARG 10 0.801 -19.063 -30.828 91 HH11 ARG 10 1HH1 ARG 10 2.490 -17.405 -28.166 92 HH12 ARG 10 2HH1 ARG 10 1.741 -18.330 -26.948 93 HH21 ARG 10 1HH2 ARG 10 -0.205 -20.305 -29.128 94 HH22 ARG 10 2HH2 ARG 10 0.196 -20.024 -27.498 95 H VAL 11 H VAL 11 -1.953 -13.664 -32.730 96 HA VAL 11 HA VAL 11 -1.874 -11.604 -30.741 97 HB VAL 11 HB VAL 11 -2.452 -10.817 -32.925 98 HG11 VAL 11 1HG1 VAL 11 -3.250 -12.852 -33.950 99 HG12 VAL 11 2HG1 VAL 11 -4.430 -11.559 -34.161 100 HG13 VAL 11 3HG1 VAL 11 -4.706 -12.813 -32.952 101 HG21 VAL 11 3HG2 VAL 11 -3.645 -9.704 -31.106 102 HG22 VAL 11 1HG2 VAL 11 -4.958 -10.869 -31.241 103 HG23 VAL 11 2HG2 VAL 11 -4.641 -9.745 -32.560 104 H GLU 12 H GLU 12 -2.281 -12.426 -28.848 105 HA GLU 12 HA GLU 12 -4.916 -13.607 -28.488 106 HB2 GLU 12 2HB GLU 12 -2.494 -13.789 -26.653 107 HB3 GLU 12 1HB GLU 12 -4.056 -14.558 -26.385 108 HG2 GLU 12 2HG GLU 12 -3.782 -15.919 -28.360 109 HG3 GLU 12 1HG GLU 12 -2.262 -15.117 -28.734 110 H ARG 13 H ARG 13 -6.079 -11.887 -28.378 111 HA ARG 13 HA ARG 13 -5.092 -9.466 -27.106 112 HB2 ARG 13 2HB ARG 13 -6.971 -8.372 -28.220 113 HB3 ARG 13 1HB ARG 13 -6.032 -9.329 -29.355 114 HG2 ARG 13 2HG ARG 13 -7.714 -11.135 -29.145 115 HG3 ARG 13 1HG ARG 13 -8.682 -10.068 -28.131 116 HD2 ARG 13 2HD ARG 13 -8.720 -8.451 -30.037 117 HD3 ARG 13 1HD ARG 13 -7.920 -9.674 -31.023 118 HE ARG 13 HE ARG 13 -10.587 -9.946 -29.814 119 HH11 ARG 13 1HH1 ARG 13 -8.270 -10.982 -32.303 120 HH12 ARG 13 2HH1 ARG 13 -9.446 -11.726 -33.263 121 HH21 ARG 13 1HH2 ARG 13 -12.190 -10.955 -31.163 122 HH22 ARG 13 2HH2 ARG 13 -11.692 -11.735 -32.606 123 H LYS 14 H LYS 14 -6.180 -8.340 -25.506 124 HA LYS 14 HA LYS 14 -8.193 -9.874 -24.048 125 HB2 LYS 14 2HB LYS 14 -6.110 -7.945 -23.059 126 HB3 LYS 14 1HB LYS 14 -7.536 -8.309 -22.108 127 HG2 LYS 14 2HG LYS 14 -5.549 -10.356 -23.064 128 HG3 LYS 14 1HG LYS 14 -5.560 -9.632 -21.448 129 HD2 LYS 14 2HD LYS 14 -7.831 -10.510 -21.100 130 HD3 LYS 14 1HD LYS 14 -7.787 -11.246 -22.695 131 HE2 LYS 14 2HE LYS 14 -5.839 -12.583 -21.980 132 HE3 LYS 14 1HE LYS 14 -6.003 -11.902 -20.361 133 HZ1 LYS 14 3HZ LYS 14 -8.093 -13.470 -21.765 134 HZ2 LYS 14 1HZ LYS 14 -8.210 -12.877 -20.210 135 HZ3 LYS 14 2HZ LYS 14 -7.107 -14.088 -20.561 136 H LEU 15 H LEU 15 -10.117 -9.228 -24.310 137 HA LEU 15 HA LEU 15 -10.668 -6.368 -24.301 138 HB2 LEU 15 2HB LEU 15 -12.018 -8.582 -25.855 139 HB3 LEU 15 1HB LEU 15 -12.880 -7.119 -25.471 140 HG LEU 15 HG LEU 15 -11.140 -5.853 -26.782 141 HD11 LEU 15 1HD1 LEU 15 -9.341 -7.475 -26.709 142 HD12 LEU 15 2HD1 LEU 15 -9.772 -7.061 -28.367 143 HD13 LEU 15 3HD1 LEU 15 -10.300 -8.594 -27.677 144 HD21 LEU 15 3HD2 LEU 15 -13.304 -6.365 -27.715 145 HD22 LEU 15 1HD2 LEU 15 -12.730 -7.951 -28.232 146 HD23 LEU 15 2HD2 LEU 15 -12.056 -6.493 -28.955 147 H GLU 16 H GLU 16 -10.413 -6.939 -22.049 148 HA GLU 16 HA GLU 16 -12.607 -8.502 -20.955 149 HB2 GLU 16 2HB GLU 16 -10.257 -9.135 -20.389 150 HB3 GLU 16 1HB GLU 16 -10.080 -7.580 -19.586 151 HG2 GLU 16 2HG GLU 16 -10.535 -9.370 -17.992 152 HG3 GLU 16 1HG GLU 16 -11.835 -8.175 -18.012 153 H GLN 17 H GLN 17 -13.876 -7.685 -19.354 154 HA GLN 17 HA GLN 17 -13.725 -4.793 -18.924 155 HB2 GLN 17 2HB GLN 17 -16.171 -6.508 -19.341 156 HB3 GLN 17 1HB GLN 17 -16.230 -4.864 -18.726 157 HG2 GLN 17 2HG GLN 17 -15.107 -5.642 -21.412 158 HG3 GLN 17 1HG GLN 17 -16.751 -5.078 -21.118 159 HE21 GLN 17 1HE2 GLN 17 -16.442 -3.316 -22.467 160 HE22 GLN 17 2HE2 GLN 17 -15.513 -1.946 -22.002 161 H THR 18 H THR 18 -13.207 -4.458 -16.905 162 HA THR 18 HA THR 18 -14.236 -6.256 -14.868 163 HB THR 18 HB THR 18 -11.902 -4.344 -14.801 164 HG1 THR 18 1HG THR 18 -12.091 -7.162 -15.176 165 HG21 THR 18 3HG2 THR 18 -12.809 -6.478 -12.885 166 HG22 THR 18 1HG2 THR 18 -12.896 -4.734 -12.634 167 HG23 THR 18 2HG2 THR 18 -11.317 -5.535 -12.737 168 H VAL 19 H VAL 19 -15.633 -5.375 -13.447 169 HA VAL 19 HA VAL 19 -16.082 -2.498 -13.660 170 HB VAL 19 HB VAL 19 -18.420 -2.918 -12.916 171 HG11 VAL 19 1HG1 VAL 19 -17.941 -2.684 -15.284 172 HG12 VAL 19 2HG1 VAL 19 -19.231 -3.862 -15.035 173 HG13 VAL 19 3HG1 VAL 19 -17.595 -4.408 -15.404 174 HG21 VAL 19 3HG2 VAL 19 -18.078 -5.042 -11.754 175 HG22 VAL 19 1HG2 VAL 19 -17.702 -5.823 -13.291 176 HG23 VAL 19 2HG2 VAL 19 -19.322 -5.192 -13.002 177 H GLY 20 H GLY 20 -16.932 -1.481 -11.741 178 HA2 GLY 20 2HA GLY 20 -16.209 -2.777 -9.223 179 HA3 GLY 20 1HA GLY 20 -15.522 -1.194 -9.611 180 H ASP 21 H ASP 21 -18.660 -2.222 -10.602 181 HA ASP 21 HA ASP 21 -19.899 0.146 -9.735 182 HB2 ASP 21 2HB ASP 21 -21.970 -0.756 -10.520 183 HB3 ASP 21 1HB ASP 21 -20.721 -1.316 -11.624 184 H ALA 22 H ALA 22 -19.474 -2.902 -8.253 185 HA ALA 22 HA ALA 22 -21.419 -2.666 -6.209 186 HB1 ALA 22 1HB ALA 22 -20.330 -4.816 -6.730 187 HB2 ALA 22 2HB ALA 22 -20.184 -4.409 -5.021 188 HB3 ALA 22 3HB ALA 22 -18.807 -4.184 -6.101 189 H PHE 23 H PHE 23 -18.071 -1.747 -6.375 190 HA PHE 23 HA PHE 23 -17.846 -0.766 -3.738 191 HB2 PHE 23 2HB PHE 23 -16.411 -0.200 -6.277 192 HB3 PHE 23 1HB PHE 23 -15.850 0.463 -4.727 193 HD1 PHE 23 2HD PHE 23 -15.167 -1.222 -2.941 194 HD2 PHE 23 1HD PHE 23 -15.829 -2.324 -6.998 195 HE1 PHE 23 2HE PHE 23 -13.914 -3.302 -2.574 196 HE2 PHE 23 1HE PHE 23 -14.579 -4.413 -6.638 197 HZ PHE 23 HZ PHE 23 -13.615 -4.903 -4.426 198 H ALA 24 H ALA 24 -18.590 0.680 -6.841 199 HA ALA 24 HA ALA 24 -18.834 3.335 -6.047 200 HB1 ALA 24 1HB ALA 24 -20.343 1.925 -8.242 201 HB2 ALA 24 2HB ALA 24 -18.724 2.605 -8.390 202 HB3 ALA 24 3HB ALA 24 -20.103 3.665 -8.095 203 H ARG 25 H ARG 25 -21.340 0.802 -6.206 204 HA ARG 25 HA ARG 25 -23.450 2.489 -5.373 205 HB2 ARG 25 2HB ARG 25 -23.234 -0.517 -5.136 206 HB3 ARG 25 1HB ARG 25 -24.701 0.424 -4.950 207 HG2 ARG 25 2HG ARG 25 -23.082 0.166 -7.478 208 HG3 ARG 25 1HG ARG 25 -24.601 -0.656 -7.134 209 HD2 ARG 25 2HD ARG 25 -25.743 1.501 -7.021 210 HD3 ARG 25 1HD ARG 25 -24.210 2.323 -7.319 211 HE ARG 25 HE ARG 25 -24.837 0.428 -9.337 212 HH11 ARG 25 1HH1 ARG 25 -25.503 3.719 -8.248 213 HH12 ARG 25 2HH1 ARG 25 -25.869 4.331 -9.793 214 HH21 ARG 25 1HH2 ARG 25 -25.343 1.306 -11.534 215 HH22 ARG 25 2HH2 ARG 25 -25.786 2.958 -11.653 216 H ILE 26 H ILE 26 -21.202 0.462 -3.586 217 HA ILE 26 HA ILE 26 -22.579 0.784 -1.095 218 HB ILE 26 HB ILE 26 -19.784 -0.255 -1.652 219 HG12 ILE 26 2HG1 ILE 26 -22.327 -1.747 -0.949 220 HG13 ILE 26 1HG1 ILE 26 -21.649 -1.620 -2.569 221 HG21 ILE 26 1HG2 ILE 26 -19.824 -1.154 0.646 222 HG22 ILE 26 2HG2 ILE 26 -21.362 -0.344 0.929 223 HG23 ILE 26 3HG2 ILE 26 -19.908 0.609 0.628 224 HD11 ILE 26 3HD1 ILE 26 -21.118 -3.765 -1.552 225 HD12 ILE 26 1HD1 ILE 26 -20.336 -2.943 -0.202 226 HD13 ILE 26 2HD1 ILE 26 -19.650 -2.820 -1.819 227 H PHE 27 H PHE 27 -19.603 2.197 -2.454 228 HA PHE 27 HA PHE 27 -19.308 3.760 -0.030 229 HB2 PHE 27 2HB PHE 27 -17.476 3.418 -2.391 230 HB3 PHE 27 1HB PHE 27 -17.114 4.410 -0.981 231 HD1 PHE 27 1HD PHE 27 -16.806 3.357 1.211 232 HD2 PHE 27 2HD PHE 27 -17.307 1.045 -2.317 233 HE1 PHE 27 1HE PHE 27 -15.953 1.388 2.381 234 HE2 PHE 27 2HE PHE 27 -16.458 -0.940 -1.147 235 HZ PHE 27 HZ PHE 27 -15.779 -0.772 1.209 236 H GLY 28 H GLY 28 -20.224 4.275 -3.363 237 HA2 GLY 28 2HA GLY 28 -21.263 6.137 -4.227 238 HA3 GLY 28 1HA GLY 28 -21.054 6.944 -2.676 239 H GLY 29 H GLY 29 -18.760 7.486 -2.174 240 HA2 GLY 29 2HA GLY 29 -17.760 9.177 -4.272 241 HA3 GLY 29 1HA GLY 29 -17.055 8.997 -2.670 242 H SER 30 H SER 30 -16.416 6.391 -2.531 243 HA SER 30 HA SER 30 -14.169 6.217 -4.280 244 HB2 SER 30 2HB SER 30 -15.183 4.173 -2.290 245 HB3 SER 30 1HB SER 30 -13.544 4.326 -2.926 246 HG SER 30 HG SER 30 -13.786 5.255 -0.824 247 H ILE 31 H ILE 31 -15.120 5.997 -6.309 248 HA ILE 31 HA ILE 31 -16.849 3.750 -6.854 249 HB ILE 31 HB ILE 31 -16.766 4.517 -9.230 250 HG12 ILE 31 2HG1 ILE 31 -15.085 6.790 -8.124 251 HG13 ILE 31 1HG1 ILE 31 -14.484 5.514 -9.172 252 HG21 ILE 31 1HG2 ILE 31 -18.031 6.594 -8.862 253 HG22 ILE 31 2HG2 ILE 31 -17.468 6.628 -7.192 254 HG23 ILE 31 3HG2 ILE 31 -18.509 5.318 -7.743 255 HD11 ILE 31 3HD1 ILE 31 -14.876 7.569 -10.402 256 HD12 ILE 31 1HD1 ILE 31 -16.564 7.568 -9.893 257 HD13 ILE 31 2HD1 ILE 31 -15.962 6.293 -10.955 258 H VAL 32 H VAL 32 -13.477 4.463 -7.076 259 HA VAL 32 HA VAL 32 -13.036 1.779 -8.086 260 HB VAL 32 HB VAL 32 -11.100 2.573 -9.473 261 HG11 VAL 32 1HG1 VAL 32 -13.179 2.049 -10.581 262 HG12 VAL 32 2HG1 VAL 32 -12.407 3.428 -11.362 263 HG13 VAL 32 3HG1 VAL 32 -13.779 3.680 -10.285 264 HG21 VAL 32 3HG2 VAL 32 -10.689 4.735 -8.416 265 HG22 VAL 32 1HG2 VAL 32 -12.251 5.327 -8.987 266 HG23 VAL 32 2HG2 VAL 32 -10.977 4.939 -10.144 267 HA PRO 33 HA PRO 33 -10.273 1.379 -4.574 268 HB2 PRO 33 2HB PRO 33 -8.762 -0.240 -6.591 269 HB3 PRO 33 1HB PRO 33 -9.179 -0.645 -4.923 270 HG2 PRO 33 2HG PRO 33 -10.556 -1.705 -6.934 271 HG3 PRO 33 1HG PRO 33 -11.376 -1.180 -5.455 272 HD2 PRO 33 2HD PRO 33 -11.360 0.086 -8.150 273 HD3 PRO 33 1HD PRO 33 -12.609 0.083 -6.896 274 H GLN 34 H GLN 34 -9.021 1.997 -7.831 275 HA GLN 34 HA GLN 34 -6.484 2.942 -7.106 276 HB2 GLN 34 2HB GLN 34 -8.135 3.351 -9.572 277 HB3 GLN 34 1HB GLN 34 -6.532 4.057 -9.398 278 HG2 GLN 34 2HG GLN 34 -5.538 1.916 -9.164 279 HG3 GLN 34 1HG GLN 34 -7.104 1.125 -9.103 280 HE21 GLN 34 1HE2 GLN 34 -4.862 0.756 -10.849 281 HE22 GLN 34 2HE2 GLN 34 -5.427 0.905 -12.463 282 H GLU 35 H GLU 35 -9.437 4.482 -6.523 283 HA GLU 35 HA GLU 35 -8.632 7.186 -6.856 284 HB2 GLU 35 2HB GLU 35 -11.018 6.360 -6.551 285 HB3 GLU 35 1HB GLU 35 -10.639 6.109 -4.855 286 HG2 GLU 35 2HG GLU 35 -11.800 8.185 -5.074 287 HG3 GLU 35 1HG GLU 35 -10.119 8.533 -4.671 288 H VAL 36 H VAL 36 -8.200 4.769 -4.371 289 HA VAL 36 HA VAL 36 -7.257 6.565 -2.368 290 HB VAL 36 HB VAL 36 -6.785 3.566 -2.592 291 HG11 VAL 36 1HG1 VAL 36 -6.389 3.647 -0.170 292 HG12 VAL 36 2HG1 VAL 36 -6.569 5.403 -0.205 293 HG13 VAL 36 3HG1 VAL 36 -5.224 4.639 -1.051 294 HG21 VAL 36 3HG2 VAL 36 -9.176 4.075 -2.537 295 HG22 VAL 36 1HG2 VAL 36 -8.931 5.077 -1.106 296 HG23 VAL 36 2HG2 VAL 36 -8.660 3.337 -1.018 297 H GLU 37 H GLU 37 -5.736 4.489 -4.811 298 HA GLU 37 HA GLU 37 -3.053 5.006 -4.142 299 HB2 GLU 37 2HB GLU 37 -4.228 4.458 -6.877 300 HB3 GLU 37 1HB GLU 37 -2.523 4.378 -6.476 301 HG2 GLU 37 2HG GLU 37 -3.030 2.533 -4.909 302 HG3 GLU 37 1HG GLU 37 -4.709 2.585 -5.446 303 H ALA 38 H ALA 38 -5.296 6.617 -6.330 304 HA ALA 38 HA ALA 38 -3.619 8.591 -7.337 305 HB1 ALA 38 1HB ALA 38 -6.587 8.771 -6.829 306 HB2 ALA 38 2HB ALA 38 -5.826 8.093 -8.273 307 HB3 ALA 38 3HB ALA 38 -5.654 9.807 -7.909 308 H LEU 39 H LEU 39 -5.599 8.562 -4.409 309 HA LEU 39 HA LEU 39 -4.980 11.227 -3.699 310 HB2 LEU 39 2HB LEU 39 -6.913 10.105 -2.712 311 HB3 LEU 39 1HB LEU 39 -5.861 8.942 -1.930 312 HG LEU 39 HG LEU 39 -4.916 10.728 -0.525 313 HD11 LEU 39 1HD1 LEU 39 -5.163 12.617 -2.017 314 HD12 LEU 39 2HD1 LEU 39 -5.969 12.943 -0.483 315 HD13 LEU 39 3HD1 LEU 39 -6.918 12.508 -1.896 316 HD21 LEU 39 3HD2 LEU 39 -6.876 11.123 0.862 317 HD22 LEU 39 1HD2 LEU 39 -6.848 9.463 0.269 318 HD23 LEU 39 2HD2 LEU 39 -7.925 10.644 -0.474 319 H LEU 40 H LEU 40 -3.536 8.123 -2.828 320 HA LEU 40 HA LEU 40 -1.707 9.226 -0.998 321 HB2 LEU 40 2HB LEU 40 -1.520 6.646 -2.516 322 HB3 LEU 40 1HB LEU 40 -0.453 7.110 -1.208 323 HG LEU 40 HG LEU 40 -3.412 6.558 -1.014 324 HD11 LEU 40 1HD1 LEU 40 -1.056 5.160 0.206 325 HD12 LEU 40 2HD1 LEU 40 -1.892 4.644 -1.250 326 HD13 LEU 40 3HD1 LEU 40 -2.752 4.672 0.299 327 HD21 LEU 40 3HD2 LEU 40 -3.110 6.886 1.411 328 HD22 LEU 40 1HD2 LEU 40 -2.830 8.375 0.503 329 HD23 LEU 40 2HD2 LEU 40 -1.464 7.443 1.113 330 H ARG 41 H ARG 41 -1.395 8.640 -4.455 331 HA ARG 41 HA ARG 41 1.355 9.353 -4.519 332 HB2 ARG 41 2HB ARG 41 1.163 9.598 -6.955 333 HB3 ARG 41 1HB ARG 41 0.240 8.191 -6.459 334 HG2 ARG 41 2HG ARG 41 -1.805 9.451 -6.609 335 HG3 ARG 41 1HG ARG 41 -0.908 10.902 -7.074 336 HD2 ARG 41 2HD ARG 41 -0.118 9.598 -9.074 337 HD3 ARG 41 1HD ARG 41 -1.259 8.333 -8.605 338 HE ARG 41 HE ARG 41 -2.189 11.082 -8.990 339 HH11 ARG 41 1HH1 ARG 41 -2.437 7.680 -9.965 340 HH12 ARG 41 2HH1 ARG 41 -3.740 7.975 -11.028 341 HH21 ARG 41 1HH2 ARG 41 -3.969 11.430 -10.425 342 HH22 ARG 41 2HH2 ARG 41 -4.602 10.107 -11.291 343 H ARG 42 H ARG 42 -1.598 11.257 -4.664 344 HA ARG 42 HA ARG 42 -0.391 13.783 -5.171 345 HB2 ARG 42 2HB ARG 42 -2.982 13.029 -3.832 346 HB3 ARG 42 1HB ARG 42 -2.500 14.689 -4.115 347 HG2 ARG 42 2HG ARG 42 -2.539 14.315 -6.508 348 HG3 ARG 42 1HG ARG 42 -2.948 12.614 -6.245 349 HD2 ARG 42 2HD ARG 42 -4.930 14.017 -6.770 350 HD3 ARG 42 1HD ARG 42 -5.030 13.234 -5.192 351 HE ARG 42 HE ARG 42 -4.051 15.983 -5.406 352 HH11 ARG 42 1HH1 ARG 42 -6.629 13.773 -4.305 353 HH12 ARG 42 2HH1 ARG 42 -7.233 14.866 -3.166 354 HH21 ARG 42 1HH2 ARG 42 -4.988 17.489 -3.850 355 HH22 ARG 42 2HH2 ARG 42 -6.311 17.004 -2.902 356 H GLU 43 H GLU 43 -1.273 12.017 -2.303 357 HA GLU 43 HA GLU 43 -0.720 13.894 -0.320 358 HB2 GLU 43 2HB GLU 43 -2.006 11.812 -0.039 359 HB3 GLU 43 1HB GLU 43 -0.534 10.887 -0.270 360 HG2 GLU 43 2HG GLU 43 -1.146 11.003 2.060 361 HG3 GLU 43 1HG GLU 43 0.386 11.816 1.762 362 H ALA 44 H ALA 44 1.259 11.357 -1.749 363 HA ALA 44 HA ALA 44 3.578 11.807 -0.282 364 HB1 ALA 44 1HB ALA 44 3.269 10.744 -3.082 365 HB2 ALA 44 2HB ALA 44 3.206 9.793 -1.598 366 HB3 ALA 44 3HB ALA 44 4.715 10.574 -2.087 367 H ALA 45 H ALA 45 2.476 13.126 -3.373 368 HA ALA 45 HA ALA 45 4.768 14.683 -3.929 369 HB1 ALA 45 1HB ALA 45 3.134 14.042 -5.645 370 HB2 ALA 45 2HB ALA 45 3.386 15.784 -5.609 371 HB3 ALA 45 3HB ALA 45 1.934 15.086 -4.889 372 H ASP 46 H ASP 46 1.900 15.253 -2.062 373 HA ASP 46 HA ASP 46 2.256 18.099 -1.800 374 HB2 ASP 46 2HB ASP 46 0.016 17.036 -1.777 375 HB3 ASP 46 1HB ASP 46 0.440 16.198 -0.293 376 H GLY 47 H GLY 47 3.390 15.305 -0.186 377 HA2 GLY 47 2HA GLY 47 4.254 16.910 2.128 378 HA3 GLY 47 1HA GLY 47 4.082 15.160 2.112 379 H ILE 48 H ILE 48 5.530 16.782 -0.573 380 HA ILE 48 HA ILE 48 7.908 15.284 -0.370 381 HB ILE 48 HB ILE 48 6.963 17.476 -2.186 382 HG12 ILE 48 2HG1 ILE 48 6.100 15.240 -2.542 383 HG13 ILE 48 1HG1 ILE 48 7.089 15.753 -3.908 384 HG21 ILE 48 1HG2 ILE 48 9.291 17.958 -1.953 385 HG22 ILE 48 2HG2 ILE 48 8.962 17.262 -3.548 386 HG23 ILE 48 3HG2 ILE 48 9.698 16.268 -2.282 387 HD11 ILE 48 3HD1 ILE 48 7.512 13.436 -3.406 388 HD12 ILE 48 1HD1 ILE 48 7.868 13.817 -1.722 389 HD13 ILE 48 2HD1 ILE 48 8.939 14.383 -2.999 390 H GLN 49 H GLN 49 9.848 15.741 0.366 391 HA GLN 49 HA GLN 49 10.258 18.299 1.750 392 HB2 GLN 49 2HB GLN 49 10.201 16.146 3.060 393 HB3 GLN 49 1HB GLN 49 11.569 15.625 2.118 394 HG2 GLN 49 2HG GLN 49 12.453 16.369 4.150 395 HG3 GLN 49 1HG GLN 49 12.780 17.654 2.981 396 HE21 GLN 49 1HE2 GLN 49 10.901 16.654 5.644 397 HE22 GLN 49 2HE2 GLN 49 10.257 18.191 6.099 398 H SER 50 H SER 50 11.965 19.515 0.964 399 HA SER 50 HA SER 50 13.286 18.629 -1.393 400 HB2 SER 50 2HB SER 50 13.794 21.118 0.252 401 HB3 SER 50 1HB SER 50 14.227 20.855 -1.437 402 HG SER 50 HG SER 50 12.124 20.871 -2.006 403 H LEU 51 H LEU 51 14.525 16.979 -0.917 404 HA LEU 51 HA LEU 51 16.662 17.198 1.078 405 HB2 LEU 51 2HB LEU 51 15.006 15.227 1.022 406 HB3 LEU 51 1HB LEU 51 15.723 14.777 -0.503 407 HG LEU 51 HG LEU 51 17.875 14.325 0.658 408 HD11 LEU 51 1HD1 LEU 51 16.322 15.005 3.140 409 HD12 LEU 51 2HD1 LEU 51 17.682 15.917 2.480 410 HD13 LEU 51 3HD1 LEU 51 17.926 14.281 3.092 411 HD21 LEU 51 3HD2 LEU 51 17.184 12.337 1.803 412 HD22 LEU 51 1HD2 LEU 51 16.192 12.548 0.363 413 HD23 LEU 51 2HD2 LEU 51 15.542 12.946 1.961 414 H GLN 52 H GLN 52 18.526 15.525 -0.158 415 HA GLN 52 HA GLN 52 20.003 16.936 -1.902 416 HB2 GLN 52 2HB GLN 52 19.666 13.952 -1.708 417 HB3 GLN 52 1HB GLN 52 20.825 14.669 -2.810 418 HG2 GLN 52 2HG GLN 52 21.918 13.939 -0.774 419 HG3 GLN 52 1HG GLN 52 21.998 15.687 -0.899 420 HE21 GLN 52 1HE2 GLN 52 20.672 12.997 0.824 421 HE22 GLN 52 2HE2 GLN 52 20.133 13.881 2.199 422 H GLY 53 H GLY 53 20.238 17.227 -4.069 423 HA2 GLY 53 2HA GLY 53 17.821 17.586 -5.472 424 HA3 GLY 53 1HA GLY 53 19.435 17.891 -6.081 425 H ASN 54 H ASN 54 19.586 14.829 -5.215 426 HA ASN 54 HA ASN 54 19.246 13.859 -7.855 427 HB2 ASN 54 2HB ASN 54 19.818 12.417 -5.269 428 HB3 ASN 54 1HB ASN 54 19.621 11.561 -6.795 429 HD21 ASN 54 1HD2 ASN 54 21.197 11.759 -8.365 430 HD22 ASN 54 2HD2 ASN 54 22.743 12.424 -8.042 431 H ARG 55 H ARG 55 17.414 13.546 -4.840 432 HA ARG 55 HA ARG 55 15.021 13.242 -6.229 433 HB2 ARG 55 2HB ARG 55 14.411 10.957 -5.310 434 HB3 ARG 55 1HB ARG 55 15.525 10.982 -6.665 435 HG2 ARG 55 2HG ARG 55 17.377 10.700 -5.101 436 HG3 ARG 55 1HG ARG 55 16.222 10.573 -3.773 437 HD2 ARG 55 2HD ARG 55 15.201 8.630 -4.816 438 HD3 ARG 55 1HD ARG 55 16.305 8.767 -6.184 439 HE ARG 55 HE ARG 55 17.757 8.607 -3.786 440 HH11 ARG 55 1HH1 ARG 55 15.781 6.519 -5.862 441 HH12 ARG 55 2HH1 ARG 55 16.679 5.123 -5.512 442 HH21 ARG 55 1HH2 ARG 55 18.949 6.708 -3.320 443 HH22 ARG 55 2HH2 ARG 55 18.492 5.217 -4.024 444 H LEU 56 H LEU 56 13.206 13.204 -4.916 445 HA LEU 56 HA LEU 56 13.700 14.817 -2.522 446 HB2 LEU 56 2HB LEU 56 11.176 14.303 -4.078 447 HB3 LEU 56 1HB LEU 56 11.458 15.541 -2.862 448 HG LEU 56 HG LEU 56 12.847 15.422 -5.540 449 HD11 LEU 56 1HD1 LEU 56 10.643 17.251 -4.628 450 HD12 LEU 56 2HD1 LEU 56 10.472 15.924 -5.777 451 HD13 LEU 56 3HD1 LEU 56 11.481 17.311 -6.178 452 HD21 LEU 56 3HD2 LEU 56 12.855 17.540 -3.391 453 HD22 LEU 56 1HD2 LEU 56 13.604 17.689 -4.978 454 HD23 LEU 56 2HD2 LEU 56 14.208 16.497 -3.835 455 H LEU 57 H LEU 57 12.605 14.503 -0.623 456 HA LEU 57 HA LEU 57 12.233 11.713 -0.000 457 HB2 LEU 57 2HB LEU 57 13.624 12.850 1.497 458 HB3 LEU 57 1HB LEU 57 12.578 14.217 1.672 459 HG LEU 57 HG LEU 57 10.987 12.729 2.928 460 HD11 LEU 57 1HD1 LEU 57 13.271 10.789 2.751 461 HD12 LEU 57 2HD1 LEU 57 11.675 10.636 2.003 462 HD13 LEU 57 3HD1 LEU 57 11.830 10.609 3.763 463 HD21 LEU 57 3HD2 LEU 57 13.792 12.968 3.995 464 HD22 LEU 57 1HD2 LEU 57 12.353 12.652 4.963 465 HD23 LEU 57 2HD2 LEU 57 12.519 14.184 4.107 466 H ALA 58 H ALA 58 10.373 10.807 0.210 467 HA ALA 58 HA ALA 58 7.944 12.449 0.270 468 HB1 ALA 58 1HB ALA 58 8.424 9.677 -0.857 469 HB2 ALA 58 2HB ALA 58 8.177 11.152 -1.793 470 HB3 ALA 58 3HB ALA 58 6.864 10.499 -0.820 471 HA PRO 59 HA PRO 59 6.715 10.629 4.197 472 HB2 PRO 59 2HB PRO 59 4.242 9.732 2.801 473 HB3 PRO 59 1HB PRO 59 4.414 10.644 4.307 474 HG2 PRO 59 2HG PRO 59 3.674 11.903 2.112 475 HG3 PRO 59 1HG PRO 59 4.871 12.641 3.194 476 HD2 PRO 59 2HD PRO 59 5.304 11.227 0.591 477 HD3 PRO 59 1HD PRO 59 6.074 12.704 1.216 478 H ASN 60 H ASN 60 6.507 8.690 5.273 479 HA ASN 60 HA ASN 60 6.873 6.290 3.617 480 HB2 ASN 60 2HB ASN 60 8.343 5.364 5.340 481 HB3 ASN 60 1HB ASN 60 8.991 6.856 4.685 482 HD21 ASN 60 1HD2 ASN 60 9.769 5.698 7.115 483 HD22 ASN 60 2HD2 ASN 60 9.382 6.775 8.398 484 H GLU 61 H GLU 61 5.464 7.652 6.504 485 HA GLU 61 HA GLU 61 4.007 5.158 6.878 486 HB2 GLU 61 2HB GLU 61 5.340 5.938 8.822 487 HB3 GLU 61 1HB GLU 61 4.445 7.440 8.827 488 HG2 GLU 61 2HG GLU 61 2.400 6.274 9.356 489 HG3 GLU 61 1HG GLU 61 3.229 4.723 9.245 490 H TYR 62 H TYR 62 2.110 5.166 6.007 491 HA TYR 62 HA TYR 62 0.624 7.691 5.681 492 HB2 TYR 62 2HB TYR 62 0.521 5.131 4.107 493 HB3 TYR 62 1HB TYR 62 -0.583 6.477 3.858 494 HD1 TYR 62 1HD TYR 62 3.013 5.525 3.737 495 HD2 TYR 62 2HD TYR 62 0.021 8.259 2.439 496 HE1 TYR 62 1HE TYR 62 4.619 6.530 2.188 497 HE2 TYR 62 2HE TYR 62 1.621 9.274 0.874 498 HH TYR 62 HH TYR 62 4.728 7.858 0.271 499 H ILE 63 H ILE 63 -1.278 7.907 6.535 500 HA ILE 63 HA ILE 63 -2.355 5.636 8.056 501 HB ILE 63 HB ILE 63 -2.667 8.599 8.636 502 HG12 ILE 63 2HG1 ILE 63 -0.366 7.885 9.045 503 HG13 ILE 63 1HG1 ILE 63 -1.175 8.219 10.577 504 HG21 ILE 63 1HG2 ILE 63 -3.646 7.881 10.768 505 HG22 ILE 63 2HG2 ILE 63 -3.505 6.198 10.264 506 HG23 ILE 63 3HG2 ILE 63 -4.580 7.291 9.393 507 HD11 ILE 63 3HD1 ILE 63 0.206 6.258 10.774 508 HD12 ILE 63 1HD1 ILE 63 -0.571 5.526 9.367 509 HD13 ILE 63 2HD1 ILE 63 -1.492 5.781 10.847 510 H ILE 64 H ILE 64 -4.143 4.894 7.199 511 HA ILE 64 HA ILE 64 -5.878 6.714 5.686 512 HB ILE 64 HB ILE 64 -5.438 3.735 5.280 513 HG12 ILE 64 2HG1 ILE 64 -4.659 6.043 3.485 514 HG13 ILE 64 1HG1 ILE 64 -3.542 5.255 4.589 515 HG21 ILE 64 1HG2 ILE 64 -7.111 5.714 3.709 516 HG22 ILE 64 2HG2 ILE 64 -7.728 4.457 4.768 517 HG23 ILE 64 3HG2 ILE 64 -6.866 4.015 3.291 518 HD11 ILE 64 3HD1 ILE 64 -4.920 4.032 2.207 519 HD12 ILE 64 1HD1 ILE 64 -3.871 3.163 3.337 520 HD13 ILE 64 2HD1 ILE 64 -3.214 4.475 2.370 521 H THR 65 H THR 65 -7.855 6.932 6.497 522 HA THR 65 HA THR 65 -8.825 4.941 8.421 523 HB THR 65 HB THR 65 -9.230 7.932 8.581 524 HG1 THR 65 1HG THR 65 -7.123 6.434 9.183 525 HG21 THR 65 3HG2 THR 65 -10.993 6.597 9.681 526 HG22 THR 65 1HG2 THR 65 -10.005 7.419 10.886 527 HG23 THR 65 2HG2 THR 65 -9.774 5.699 10.573 528 H LEU 66 H LEU 66 -10.734 4.157 7.850 529 HA LEU 66 HA LEU 66 -12.634 5.886 6.448 530 HB2 LEU 66 2HB LEU 66 -12.120 2.973 5.907 531 HB3 LEU 66 1HB LEU 66 -13.625 3.724 5.459 532 HG LEU 66 HG LEU 66 -11.994 5.396 4.254 533 HD11 LEU 66 1HD1 LEU 66 -10.364 2.889 4.309 534 HD12 LEU 66 2HD1 LEU 66 -9.960 4.472 4.978 535 HD13 LEU 66 3HD1 LEU 66 -10.105 4.267 3.231 536 HD21 LEU 66 3HD2 LEU 66 -13.703 4.342 3.062 537 HD22 LEU 66 1HD2 LEU 66 -12.972 2.746 3.227 538 HD23 LEU 66 2HD2 LEU 66 -12.218 3.960 2.196 539 H GLY 67 H GLY 67 -14.920 4.714 6.628 540 HA2 GLY 67 2HA GLY 67 -15.485 4.658 9.423 541 HA3 GLY 67 1HA GLY 67 -16.629 4.394 8.107 542 H VAL 68 H VAL 68 -16.876 2.813 10.302 543 HA VAL 68 HA VAL 68 -15.252 0.489 10.169 544 HB VAL 68 HB VAL 68 -16.312 1.115 12.246 545 HG11 VAL 68 1HG1 VAL 68 -18.709 0.701 12.688 546 HG12 VAL 68 2HG1 VAL 68 -18.939 0.363 10.974 547 HG13 VAL 68 3HG1 VAL 68 -18.443 1.972 11.494 548 HG21 VAL 68 3HG2 VAL 68 -17.160 -1.118 12.963 549 HG22 VAL 68 1HG2 VAL 68 -15.644 -1.180 12.057 550 HG23 VAL 68 2HG2 VAL 68 -17.158 -1.599 11.264 551 H HIS 69 H HIS 69 -18.406 1.210 8.813 552 HA HIS 69 HA HIS 69 -18.984 -1.398 7.850 553 HB2 HIS 69 2HB HIS 69 -20.808 0.149 8.100 554 HB3 HIS 69 1HB HIS 69 -19.989 1.372 7.153 555 HD1 HIS 69 1HD HIS 69 -20.989 1.671 4.961 556 HD2 HIS 69 2HD HIS 69 -21.404 -2.235 6.297 557 HE1 HIS 69 1HE HIS 69 -22.305 0.455 3.167 558 H ASP 70 H ASP 70 -17.345 1.374 6.610 559 HA ASP 70 HA ASP 70 -16.881 0.620 3.959 560 HB2 ASP 70 2HB ASP 70 -15.174 2.258 5.827 561 HB3 ASP 70 1HB ASP 70 -15.033 2.239 4.081 562 H PHE 71 H PHE 71 -15.009 0.373 6.905 563 HA PHE 71 HA PHE 71 -12.662 -0.653 5.844 564 HB2 PHE 71 2HB PHE 71 -12.915 0.541 7.902 565 HB3 PHE 71 1HB PHE 71 -13.815 -0.792 8.617 566 HD1 PHE 71 2HD PHE 71 -10.581 0.150 7.158 567 HD2 PHE 71 1HD PHE 71 -12.675 -2.455 9.758 568 HE1 PHE 71 2HE PHE 71 -8.425 -0.756 7.988 569 HE2 PHE 71 1HE PHE 71 -10.553 -3.363 10.596 570 HZ PHE 71 HZ PHE 71 -8.436 -2.514 9.719 571 H GLU 72 H GLU 72 -15.467 -2.301 7.314 572 HA GLU 72 HA GLU 72 -14.268 -4.837 7.180 573 HB2 GLU 72 2HB GLU 72 -16.473 -5.717 7.722 574 HB3 GLU 72 1HB GLU 72 -16.012 -4.295 8.669 575 HG2 GLU 72 2HG GLU 72 -17.524 -2.905 7.571 576 HG3 GLU 72 1HG GLU 72 -17.828 -4.101 6.313 577 H LYS 73 H LYS 73 -16.250 -3.033 5.002 578 HA LYS 73 HA LYS 73 -16.519 -5.186 3.130 579 HB2 LYS 73 2HB LYS 73 -17.347 -2.344 3.155 580 HB3 LYS 73 1HB LYS 73 -17.071 -3.043 1.568 581 HG2 LYS 73 2HG LYS 73 -19.439 -3.127 2.310 582 HG3 LYS 73 1HG LYS 73 -18.759 -4.704 1.931 583 HD2 LYS 73 2HD LYS 73 -18.436 -5.128 4.322 584 HD3 LYS 73 1HD LYS 73 -19.100 -3.536 4.689 585 HE2 LYS 73 2HE LYS 73 -21.243 -4.152 3.835 586 HE3 LYS 73 1HE LYS 73 -20.611 -5.667 3.190 587 HZ1 LYS 73 3HZ LYS 73 -20.296 -6.490 5.339 588 HZ2 LYS 73 1HZ LYS 73 -21.849 -5.890 5.354 589 HZ3 LYS 73 2HZ LYS 73 -20.569 -5.058 6.102 590 H LEU 74 H LEU 74 -14.149 -2.829 3.660 591 HA LEU 74 HA LEU 74 -12.924 -2.987 1.081 592 HB2 LEU 74 2HB LEU 74 -11.670 -2.258 3.717 593 HB3 LEU 74 1HB LEU 74 -10.910 -2.101 2.157 594 HG LEU 74 HG LEU 74 -13.242 -0.501 3.204 595 HD11 LEU 74 1HD1 LEU 74 -11.630 1.340 3.005 596 HD12 LEU 74 2HD1 LEU 74 -10.384 0.166 2.605 597 HD13 LEU 74 3HD1 LEU 74 -11.166 0.117 4.184 598 HD21 LEU 74 3HD2 LEU 74 -11.830 -0.347 0.529 599 HD22 LEU 74 1HD2 LEU 74 -13.060 0.770 1.116 600 HD23 LEU 74 2HD2 LEU 74 -13.486 -0.905 0.781 601 H GLY 75 H GLY 75 -12.450 -4.686 4.131 602 HA2 GLY 75 2HA GLY 75 -11.056 -6.512 4.649 603 HA3 GLY 75 1HA GLY 75 -10.883 -6.780 2.906 604 H ALA 76 H ALA 76 -10.251 -3.994 4.817 605 HA ALA 76 HA ALA 76 -7.680 -3.530 3.533 606 HB1 ALA 76 1HB ALA 76 -9.386 -1.679 5.176 607 HB2 ALA 76 2HB ALA 76 -9.318 -1.739 3.413 608 HB3 ALA 76 3HB ALA 76 -7.899 -1.251 4.338 609 H ASP 77 H ASP 77 -8.529 -5.168 6.058 610 HA ASP 77 HA ASP 77 -7.778 -4.153 8.443 611 HB2 ASP 77 2HB ASP 77 -8.637 -6.484 7.981 612 HB3 ASP 77 1HB ASP 77 -6.995 -6.930 7.555 613 HA PRO 78 HA PRO 78 -3.858 -2.322 8.065 614 HB2 PRO 78 2HB PRO 78 -2.936 -3.162 10.630 615 HB3 PRO 78 1HB PRO 78 -3.600 -1.595 10.162 616 HG2 PRO 78 2HG PRO 78 -4.940 -3.925 11.409 617 HG3 PRO 78 1HG PRO 78 -5.330 -2.202 11.538 618 HD2 PRO 78 2HD PRO 78 -6.848 -3.833 10.124 619 HD3 PRO 78 1HD PRO 78 -6.487 -2.186 9.529 620 H GLU 79 H GLU 79 -3.630 -5.575 9.468 621 HA GLU 79 HA GLU 79 -0.836 -5.578 8.770 622 HB2 GLU 79 2HB GLU 79 -1.756 -6.547 10.876 623 HB3 GLU 79 1HB GLU 79 -2.455 -7.836 9.913 624 HG2 GLU 79 2HG GLU 79 -0.336 -8.664 9.312 625 HG3 GLU 79 1HG GLU 79 0.476 -7.222 9.919 626 H LEU 80 H LEU 80 -3.687 -6.475 7.201 627 HA LEU 80 HA LEU 80 -2.438 -8.489 5.524 628 HB2 LEU 80 2HB LEU 80 -4.840 -8.583 6.342 629 HB3 LEU 80 1HB LEU 80 -5.185 -7.232 5.294 630 HG LEU 80 HG LEU 80 -4.259 -9.943 4.298 631 HD11 LEU 80 1HD1 LEU 80 -6.603 -10.307 3.711 632 HD12 LEU 80 2HD1 LEU 80 -7.030 -8.797 4.519 633 HD13 LEU 80 3HD1 LEU 80 -6.373 -10.139 5.452 634 HD21 LEU 80 3HD2 LEU 80 -5.133 -9.199 2.139 635 HD22 LEU 80 1HD2 LEU 80 -3.890 -8.080 2.702 636 HD23 LEU 80 2HD2 LEU 80 -5.599 -7.651 2.838 637 H LYS 81 H LYS 81 -3.958 -5.292 5.089 638 HA LYS 81 HA LYS 81 -2.863 -5.211 2.421 639 HB2 LYS 81 2HB LYS 81 -4.896 -3.535 3.801 640 HB3 LYS 81 1HB LYS 81 -4.094 -2.915 2.373 641 HG2 LYS 81 2HG LYS 81 -5.634 -5.510 2.491 642 HG3 LYS 81 1HG LYS 81 -6.280 -3.978 1.906 643 HD2 LYS 81 2HD LYS 81 -4.468 -3.940 0.180 644 HD3 LYS 81 1HD LYS 81 -3.983 -5.552 0.704 645 HE2 LYS 81 2HE LYS 81 -6.218 -6.400 0.127 646 HE3 LYS 81 1HE LYS 81 -6.691 -4.785 -0.383 647 HZ1 LYS 81 3HZ LYS 81 -6.119 -6.128 -2.271 648 HZ2 LYS 81 1HZ LYS 81 -4.586 -6.466 -1.661 649 HZ3 LYS 81 2HZ LYS 81 -4.984 -4.898 -2.139 650 H SER 82 H SER 82 -1.532 -4.242 5.323 651 HA SER 82 HA SER 82 -0.492 -1.753 4.514 652 HB2 SER 82 2HB SER 82 1.292 -2.212 6.267 653 HB3 SER 82 1HB SER 82 -0.380 -2.226 6.833 654 HG SER 82 HG SER 82 -0.272 -4.221 7.237 655 H THR 83 H THR 83 1.222 -4.858 4.712 656 HA THR 83 HA THR 83 3.477 -4.110 3.315 657 HB THR 83 HB THR 83 2.199 -6.848 3.391 658 HG1 THR 83 1HG THR 83 3.978 -5.630 5.251 659 HG21 THR 83 3HG2 THR 83 5.106 -5.983 3.214 660 HG22 THR 83 1HG2 THR 83 4.159 -6.675 1.898 661 HG23 THR 83 2HG2 THR 83 4.539 -7.649 3.321 662 H GLY 84 H GLY 84 0.412 -5.417 2.150 663 HA2 GLY 84 2HA GLY 84 1.255 -5.870 -0.527 664 HA3 GLY 84 1HA GLY 84 -0.405 -5.832 0.045 665 H PHE 85 H PHE 85 -0.809 -3.277 0.869 666 HA PHE 85 HA PHE 85 -1.033 -2.041 -1.711 667 HB2 PHE 85 2HB PHE 85 -2.812 -2.092 0.112 668 HB3 PHE 85 1HB PHE 85 -1.873 -0.869 0.946 669 HD1 PHE 85 1HD PHE 85 -3.820 -1.623 -2.068 670 HD2 PHE 85 2HD PHE 85 -1.980 1.428 0.247 671 HE1 PHE 85 1HE PHE 85 -5.000 0.069 -3.381 672 HE2 PHE 85 2HE PHE 85 -3.172 3.127 -1.066 673 HZ PHE 85 HZ PHE 85 -4.679 2.458 -2.878 674 H ALA 86 H ALA 86 1.033 -1.679 1.094 675 HA ALA 86 HA ALA 86 2.057 0.859 0.297 676 HB1 ALA 86 1HB ALA 86 3.894 0.444 1.853 677 HB2 ALA 86 2HB ALA 86 3.364 -1.226 2.042 678 HB3 ALA 86 3HB ALA 86 2.344 0.094 2.609 679 H ARG 87 H ARG 87 2.756 -2.469 -0.505 680 HA ARG 87 HA ARG 87 5.183 -1.968 -1.844 681 HB2 ARG 87 2HB ARG 87 4.272 -4.257 -1.170 682 HB3 ARG 87 1HB ARG 87 3.138 -4.130 -2.496 683 HG2 ARG 87 2HG ARG 87 6.125 -4.069 -2.895 684 HG3 ARG 87 1HG ARG 87 5.191 -5.558 -2.888 685 HD2 ARG 87 2HD ARG 87 3.966 -4.871 -4.828 686 HD3 ARG 87 1HD ARG 87 4.630 -3.245 -4.736 687 HE ARG 87 HE ARG 87 6.635 -5.248 -4.994 688 HH11 ARG 87 1HH1 ARG 87 4.247 -3.427 -6.883 689 HH12 ARG 87 2HH1 ARG 87 5.188 -3.375 -8.290 690 HH21 ARG 87 1HH2 ARG 87 7.951 -5.154 -6.928 691 HH22 ARG 87 2HH2 ARG 87 7.352 -4.386 -8.316 692 H ASP 88 H ASP 88 1.795 -1.892 -2.842 693 HA ASP 88 HA ASP 88 2.156 -1.281 -5.561 694 HB2 ASP 88 2HB ASP 88 -0.074 -0.452 -3.680 695 HB3 ASP 88 1HB ASP 88 -0.100 -0.118 -5.402 696 H LEU 89 H LEU 89 1.849 0.815 -2.761 697 HA LEU 89 HA LEU 89 2.110 3.244 -4.184 698 HB2 LEU 89 2HB LEU 89 1.030 3.105 -2.010 699 HB3 LEU 89 1HB LEU 89 2.550 2.655 -1.269 700 HG LEU 89 HG LEU 89 3.467 4.878 -1.838 701 HD11 LEU 89 1HD1 LEU 89 2.115 5.394 -3.787 702 HD12 LEU 89 2HD1 LEU 89 1.947 6.656 -2.566 703 HD13 LEU 89 3HD1 LEU 89 0.666 5.466 -2.784 704 HD21 LEU 89 3HD2 LEU 89 2.148 6.129 -0.197 705 HD22 LEU 89 1HD2 LEU 89 2.493 4.484 0.338 706 HD23 LEU 89 2HD2 LEU 89 0.897 4.889 -0.286 707 H ALA 90 H ALA 90 4.460 1.191 -2.522 708 HA ALA 90 HA ALA 90 6.677 2.885 -2.607 709 HB1 ALA 90 1HB ALA 90 8.034 0.846 -2.406 710 HB2 ALA 90 2HB ALA 90 6.627 -0.129 -2.823 711 HB3 ALA 90 3HB ALA 90 6.646 0.792 -1.319 712 H ASP 91 H ASP 91 5.430 0.562 -4.856 713 HA ASP 91 HA ASP 91 7.375 0.769 -6.869 714 HB2 ASP 91 2HB ASP 91 5.722 -1.044 -6.738 715 HB3 ASP 91 1HB ASP 91 4.432 0.099 -7.052 716 H TYR 92 H TYR 92 4.359 2.526 -6.308 717 HA TYR 92 HA TYR 92 4.438 4.240 -8.525 718 HB2 TYR 92 2HB TYR 92 3.102 4.364 -5.885 719 HB3 TYR 92 1HB TYR 92 3.249 5.861 -6.789 720 HD1 TYR 92 2HD TYR 92 2.283 5.992 -9.067 721 HD2 TYR 92 1HD TYR 92 1.485 2.758 -6.442 722 HE1 TYR 92 2HE TYR 92 0.305 5.487 -10.351 723 HE2 TYR 92 1HE TYR 92 -0.527 2.187 -7.724 724 HH TYR 92 HH TYR 92 -2.040 3.077 -9.191 725 H ILE 93 H ILE 93 5.637 4.837 -5.209 726 HA ILE 93 HA ILE 93 6.541 7.420 -5.873 727 HB ILE 93 HB ILE 93 7.792 7.475 -3.754 728 HG12 ILE 93 2HG1 ILE 93 6.940 4.587 -3.465 729 HG13 ILE 93 1HG1 ILE 93 8.581 5.128 -3.754 730 HG21 ILE 93 1HG2 ILE 93 5.033 6.287 -3.498 731 HG22 ILE 93 2HG2 ILE 93 5.423 7.992 -3.731 732 HG23 ILE 93 3HG2 ILE 93 5.884 7.179 -2.235 733 HD11 ILE 93 3HD1 ILE 93 8.593 6.275 -1.587 734 HD12 ILE 93 1HD1 ILE 93 8.264 4.550 -1.413 735 HD13 ILE 93 2HD1 ILE 93 6.947 5.717 -1.290 736 H GLN 94 H GLN 94 8.111 4.313 -6.104 737 HA GLN 94 HA GLN 94 10.694 5.304 -6.661 738 HB2 GLN 94 2HB GLN 94 9.345 2.789 -7.614 739 HB3 GLN 94 1HB GLN 94 11.034 3.156 -7.894 740 HG2 GLN 94 2HG GLN 94 9.657 2.662 -5.243 741 HG3 GLN 94 1HG GLN 94 10.809 1.604 -6.042 742 HE21 GLN 94 1HE2 GLN 94 10.908 2.681 -3.373 743 HE22 GLN 94 2HE2 GLN 94 12.352 3.609 -3.267 744 H GLU 95 H GLU 95 7.901 4.544 -8.728 745 HA GLU 95 HA GLU 95 9.038 5.166 -11.150 746 HB2 GLU 95 2HB GLU 95 6.264 5.230 -10.103 747 HB3 GLU 95 1HB GLU 95 6.524 5.797 -11.717 748 HG2 GLU 95 2HG GLU 95 7.631 3.488 -12.082 749 HG3 GLU 95 1HG GLU 95 6.838 3.057 -10.562 750 H GLN 96 H GLN 96 7.546 7.161 -8.707 751 HA GLN 96 HA GLN 96 7.468 9.567 -10.291 752 HB2 GLN 96 2HB GLN 96 7.303 9.281 -7.309 753 HB3 GLN 96 1HB GLN 96 6.806 10.669 -8.236 754 HG2 GLN 96 2HG GLN 96 5.484 7.968 -8.029 755 HG3 GLN 96 1HG GLN 96 4.849 9.520 -7.520 756 HE21 GLN 96 1HE2 GLN 96 5.129 7.247 -10.038 757 HE22 GLN 96 2HE2 GLN 96 4.226 8.077 -11.235 758 H GLY 97 H GLY 97 9.875 7.927 -8.583 759 HA2 GLY 97 2HA GLY 97 12.124 8.395 -8.497 760 HA3 GLY 97 1HA GLY 97 11.794 9.990 -9.154 761 H TRP 98 H TRP 98 10.242 8.680 -6.271 762 HA TRP 98 HA TRP 98 11.694 10.709 -4.740 763 HB2 TRP 98 2HB TRP 98 9.026 9.432 -4.090 764 HB3 TRP 98 1HB TRP 98 9.816 10.725 -3.200 765 HD1 TRP 98 HD TRP 98 10.557 12.584 -5.749 766 HE1 TRP 98 1HE TRP 98 8.656 13.827 -6.982 767 HE3 TRP 98 3HE TRP 98 6.578 9.795 -4.169 768 HZ2 TRP 98 2HZ TRP 98 5.869 13.677 -7.217 769 HZ3 TRP 98 3HZ TRP 98 4.324 10.420 -4.941 770 HH2 TRP 98 HH TRP 98 3.981 12.317 -6.429 771 H GLN 99 H GLN 99 12.105 10.113 -2.461 772 HA GLN 99 HA GLN 99 12.535 7.222 -2.094 773 HB2 GLN 99 2HB GLN 99 14.708 7.721 -1.033 774 HB3 GLN 99 1HB GLN 99 14.686 8.173 -2.731 775 HG2 GLN 99 2HG GLN 99 14.397 10.512 -2.131 776 HG3 GLN 99 1HG GLN 99 14.308 10.081 -0.426 777 HE21 GLN 99 1HE2 GLN 99 16.188 11.824 -1.908 778 HE22 GLN 99 2HE2 GLN 99 17.744 11.188 -1.561 779 H THR 100 H THR 100 13.043 6.777 0.338 780 HA THR 100 HA THR 100 12.216 8.777 2.130 781 HB THR 100 HB THR 100 10.006 7.903 1.249 782 HG1 THR 100 1HG THR 100 9.540 8.685 3.075 783 HG21 THR 100 3HG2 THR 100 10.827 5.405 2.748 784 HG22 THR 100 1HG2 THR 100 10.603 5.529 1.002 785 HG23 THR 100 2HG2 THR 100 9.225 5.720 2.085 786 H TYR 101 H TYR 101 12.035 7.694 4.404 787 HA TYR 101 HA TYR 101 14.368 5.906 4.558 788 HB2 TYR 101 2HB TYR 101 13.539 8.109 6.457 789 HB3 TYR 101 1HB TYR 101 14.793 6.932 6.825 790 HD1 TYR 101 1HD TYR 101 16.925 6.979 5.620 791 HD2 TYR 101 2HD TYR 101 13.924 9.894 4.876 792 HE1 TYR 101 1HE TYR 101 18.582 8.387 4.460 793 HE2 TYR 101 2HE TYR 101 15.574 11.304 3.716 794 HH TYR 101 HH TYR 101 18.642 10.116 2.814 795 H GLY 102 H GLY 102 13.990 3.970 5.335 796 HA2 GLY 102 2HA GLY 102 13.233 2.642 7.212 797 HA3 GLY 102 1HA GLY 102 11.807 3.671 7.281 798 H ASP 103 H ASP 103 10.447 1.895 7.080 799 HA ASP 103 HA ASP 103 10.407 0.702 4.408 800 HB2 ASP 103 2HB ASP 103 10.528 -0.971 6.142 801 HB3 ASP 103 1HB ASP 103 9.190 -0.219 7.015 802 H VAL 104 H VAL 104 8.682 0.961 3.198 803 HA VAL 104 HA VAL 104 6.958 3.201 3.778 804 HB VAL 104 HB VAL 104 6.766 1.236 1.461 805 HG11 VAL 104 1HG1 VAL 104 5.639 4.022 1.752 806 HG12 VAL 104 2HG1 VAL 104 4.716 2.523 1.796 807 HG13 VAL 104 3HG1 VAL 104 5.530 3.012 0.308 808 HG21 VAL 104 3HG2 VAL 104 7.999 2.875 0.140 809 HG22 VAL 104 1HG2 VAL 104 8.960 2.329 1.514 810 HG23 VAL 104 2HG2 VAL 104 8.168 3.908 1.557 811 H VAL 105 H VAL 105 5.165 3.025 4.979 812 HA VAL 105 HA VAL 105 3.722 0.510 4.843 813 HB VAL 105 HB VAL 105 5.095 0.345 6.836 814 HG11 VAL 105 1HG1 VAL 105 5.505 2.663 7.336 815 HG12 VAL 105 2HG1 VAL 105 4.833 1.859 8.757 816 HG13 VAL 105 3HG1 VAL 105 3.813 2.901 7.765 817 HG21 VAL 105 3HG2 VAL 105 2.197 0.830 7.528 818 HG22 VAL 105 1HG2 VAL 105 3.350 -0.048 8.534 819 HG23 VAL 105 2HG2 VAL 105 2.894 -0.679 6.951 820 H VAL 106 H VAL 106 1.679 0.739 4.448 821 HA VAL 106 HA VAL 106 0.407 3.260 5.105 822 HB VAL 106 HB VAL 106 -1.360 2.611 3.507 823 HG11 VAL 106 1HG1 VAL 106 -0.088 2.755 1.395 824 HG12 VAL 106 2HG1 VAL 106 1.400 2.488 2.306 825 HG13 VAL 106 3HG1 VAL 106 0.433 3.931 2.595 826 HG21 VAL 106 3HG2 VAL 106 -1.104 0.692 2.008 827 HG22 VAL 106 1HG2 VAL 106 -1.239 0.207 3.701 828 HG23 VAL 106 2HG2 VAL 106 0.336 0.190 2.906 829 H ARG 107 H ARG 107 -0.968 3.232 6.733 830 HA ARG 107 HA ARG 107 -1.730 0.586 7.762 831 HB2 ARG 107 2HB ARG 107 -0.139 1.939 9.140 832 HB3 ARG 107 1HB ARG 107 -1.443 3.118 9.313 833 HG2 ARG 107 2HG ARG 107 -2.807 1.445 10.454 834 HG3 ARG 107 1HG ARG 107 -1.508 0.260 10.276 835 HD2 ARG 107 2HD ARG 107 -1.382 2.850 11.788 836 HD3 ARG 107 1HD ARG 107 -1.432 1.236 12.506 837 HE ARG 107 HE ARG 107 0.742 0.884 11.305 838 HH11 ARG 107 1HH1 ARG 107 -0.230 4.088 12.495 839 HH12 ARG 107 2HH1 ARG 107 1.366 4.701 12.505 840 HH21 ARG 107 1HH2 ARG 107 2.872 1.737 11.273 841 HH22 ARG 107 2HH2 ARG 107 3.187 3.366 11.709 842 H PHE 108 H PHE 108 -3.728 0.229 7.999 843 HA PHE 108 HA PHE 108 -5.641 2.340 7.322 844 HB2 PHE 108 2HB PHE 108 -5.969 -0.666 7.237 845 HB3 PHE 108 1HB PHE 108 -7.172 0.517 6.751 846 HD1 PHE 108 2HD PHE 108 -3.856 -0.884 5.917 847 HD2 PHE 108 1HD PHE 108 -7.149 1.463 4.592 848 HE1 PHE 108 2HE PHE 108 -2.978 -0.957 3.626 849 HE2 PHE 108 1HE PHE 108 -6.271 1.398 2.295 850 HZ PHE 108 HZ PHE 108 -4.175 0.183 1.813 851 H GLU 109 H GLU 109 -7.308 2.747 8.671 852 HA GLU 109 HA GLU 109 -7.804 1.029 10.911 853 HB2 GLU 109 2HB GLU 109 -7.759 2.982 12.496 854 HB3 GLU 109 1HB GLU 109 -6.190 2.434 11.934 855 HG2 GLU 109 2HG GLU 109 -6.086 4.312 10.392 856 HG3 GLU 109 1HG GLU 109 -7.690 4.835 10.913 857 H GLN 110 H GLN 110 -9.721 1.959 12.180 858 HA GLN 110 HA GLN 110 -11.648 2.881 10.178 859 HB2 GLN 110 2HB GLN 110 -13.355 1.605 11.454 860 HB3 GLN 110 1HB GLN 110 -12.119 0.586 10.731 861 HG2 GLN 110 2HG GLN 110 -11.004 0.364 12.847 862 HG3 GLN 110 1HG GLN 110 -12.140 1.476 13.600 863 HE21 GLN 110 1HE2 GLN 110 -14.165 0.765 14.150 864 HE22 GLN 110 2HE2 GLN 110 -14.605 -0.910 14.118 865 H SER 111 H SER 111 -13.470 3.958 11.041 866 HA SER 111 HA SER 111 -13.224 5.197 13.647 867 HB2 SER 111 2HB SER 111 -12.155 6.765 12.082 868 HB3 SER 111 1HB SER 111 -13.559 6.681 11.023 869 HG SER 111 HG SER 111 -13.190 8.429 12.783 870 H SER 112 H SER 112 -15.177 5.270 14.557 871 HA SER 112 HA SER 112 -17.475 4.237 13.154 872 HB2 SER 112 2HB SER 112 -17.255 5.351 15.959 873 HB3 SER 112 1HB SER 112 -18.589 4.393 15.321 874 HG SER 112 HG SER 112 -16.057 3.273 15.085 875 H ASN 113 H ASN 113 -16.088 7.253 13.861 876 HA ASN 113 HA ASN 113 -18.511 8.818 13.719 877 HB2 ASN 113 2HB ASN 113 -16.696 9.612 15.111 878 HB3 ASN 113 1HB ASN 113 -15.595 9.613 13.742 879 HD21 ASN 113 1HD2 ASN 113 -18.295 11.243 15.243 880 HD22 ASN 113 2HD2 ASN 113 -18.155 12.694 14.323 881 H LEU 114 H LEU 114 -15.987 7.815 11.602 882 HA LEU 114 HA LEU 114 -16.592 9.695 9.554 883 HB2 LEU 114 2HB LEU 114 -14.378 8.526 10.085 884 HB3 LEU 114 1HB LEU 114 -15.040 7.140 9.250 885 HG LEU 114 HG LEU 114 -15.109 8.391 7.159 886 HD11 LEU 114 1HD1 LEU 114 -14.046 10.678 8.834 887 HD12 LEU 114 2HD1 LEU 114 -15.614 10.625 8.017 888 HD13 LEU 114 3HD1 LEU 114 -14.129 10.659 7.078 889 HD21 LEU 114 3HD2 LEU 114 -12.485 8.760 8.580 890 HD22 LEU 114 1HD2 LEU 114 -12.732 8.664 6.839 891 HD23 LEU 114 2HD2 LEU 114 -13.037 7.252 7.862 892 H HIS 115 H HIS 115 -17.491 9.174 7.463 893 HA HIS 115 HA HIS 115 -19.787 7.350 7.761 894 HB2 HIS 115 2HB HIS 115 -20.048 9.879 7.390 895 HB3 HIS 115 1HB HIS 115 -19.389 9.581 5.791 896 HD1 HIS 115 1HD HIS 115 -22.535 9.331 7.760 897 HD2 HIS 115 2HD HIS 115 -21.125 8.281 3.993 898 HE1 HIS 115 1HE HIS 115 -24.571 8.838 6.359 899 H THR 116 H THR 116 -20.478 6.143 5.840 900 HA THR 116 HA THR 116 -18.334 4.889 4.572 901 HB THR 116 HB THR 116 -21.306 4.648 4.116 902 HG1 THR 116 1HG THR 116 -19.310 3.385 5.573 903 HG21 THR 116 3HG2 THR 116 -20.795 2.568 2.910 904 HG22 THR 116 1HG2 THR 116 -19.069 2.904 3.063 905 HG23 THR 116 2HG2 THR 116 -20.091 3.965 2.088 906 H GLY 117 H GLY 117 -17.285 5.330 2.935 907 HA2 GLY 117 2HA GLY 117 -16.960 5.933 0.653 908 HA3 GLY 117 1HA GLY 117 -18.440 6.886 0.725 909 H GLN 118 H GLN 118 -17.018 7.598 3.481 910 HA GLN 118 HA GLN 118 -15.656 9.900 2.361 911 HB2 GLN 118 2HB GLN 118 -17.668 10.297 3.747 912 HB3 GLN 118 1HB GLN 118 -16.889 9.429 5.064 913 HG2 GLN 118 2HG GLN 118 -15.202 11.153 5.223 914 HG3 GLN 118 1HG GLN 118 -15.922 11.988 3.842 915 HE21 GLN 118 1HE2 GLN 118 -15.572 12.914 6.636 916 HE22 GLN 118 2HE2 GLN 118 -17.163 13.332 7.151 917 H PHE 119 H PHE 119 -13.599 9.408 2.309 918 HA PHE 119 HA PHE 119 -12.468 7.873 4.546 919 HB2 PHE 119 2HB PHE 119 -10.910 6.796 3.031 920 HB3 PHE 119 1HB PHE 119 -12.562 6.516 2.509 921 HD1 PHE 119 2HD PHE 119 -13.419 7.777 0.495 922 HD2 PHE 119 1HD PHE 119 -9.332 7.790 1.669 923 HE1 PHE 119 2HE PHE 119 -12.775 8.526 -1.756 924 HE2 PHE 119 1HE PHE 119 -8.677 8.525 -0.543 925 HZ PHE 119 HZ PHE 119 -10.396 8.904 -2.294 926 H ARG 120 H ARG 120 -10.224 8.263 5.023 927 HA ARG 120 HA ARG 120 -9.194 10.843 4.100 928 HB2 ARG 120 2HB ARG 120 -9.352 9.938 6.992 929 HB3 ARG 120 1HB ARG 120 -8.460 11.341 6.432 930 HG2 ARG 120 2HG ARG 120 -11.446 10.961 6.308 931 HG3 ARG 120 1HG ARG 120 -10.559 11.994 7.432 932 HD2 ARG 120 2HD ARG 120 -9.740 13.331 5.565 933 HD3 ARG 120 1HD ARG 120 -10.595 12.289 4.430 934 HE ARG 120 HE ARG 120 -11.829 14.048 6.408 935 HH11 ARG 120 1HH1 ARG 120 -12.071 12.156 3.408 936 HH12 ARG 120 2HH1 ARG 120 -13.481 12.911 2.860 937 HH21 ARG 120 1HH2 ARG 120 -13.796 15.093 5.645 938 HH22 ARG 120 2HH2 ARG 120 -14.459 14.663 4.135 939 H ALA 121 H ALA 121 -7.020 10.811 3.765 940 HA ALA 121 HA ALA 121 -5.444 8.686 4.922 941 HB1 ALA 121 1HB ALA 121 -4.536 8.011 2.748 942 HB2 ALA 121 2HB ALA 121 -5.660 9.099 1.941 943 HB3 ALA 121 3HB ALA 121 -6.274 7.702 2.830 944 H ARG 122 H ARG 122 -3.605 9.556 5.561 945 HA ARG 122 HA ARG 122 -2.505 11.801 4.033 946 HB2 ARG 122 2HB ARG 122 -2.592 11.677 7.055 947 HB3 ARG 122 1HB ARG 122 -1.662 12.831 6.127 948 HG2 ARG 122 2HG ARG 122 -4.650 12.597 6.274 949 HG3 ARG 122 1HG ARG 122 -3.617 13.854 6.975 950 HD2 ARG 122 2HD ARG 122 -4.057 13.306 4.046 951 HD3 ARG 122 1HD ARG 122 -4.736 14.656 4.934 952 HE ARG 122 HE ARG 122 -1.930 14.272 4.159 953 HH11 ARG 122 1HH1 ARG 122 -4.396 16.432 5.501 954 HH12 ARG 122 2HH1 ARG 122 -3.532 17.858 5.115 955 HH21 ARG 122 1HH2 ARG 122 -0.779 16.217 3.638 956 HH22 ARG 122 2HH2 ARG 122 -1.449 17.736 4.012 957 H GLY 123 H GLY 123 -0.294 12.113 4.417 958 HA2 GLY 123 2HA GLY 123 1.084 9.607 5.123 959 HA3 GLY 123 1HA GLY 123 1.525 10.560 3.707 960 H THR 124 H THR 124 2.822 9.813 6.363 961 HA THR 124 HA THR 124 3.704 12.532 6.964 962 HB THR 124 HB THR 124 4.076 11.699 9.329 963 HG1 THR 124 1HG THR 124 2.749 9.459 8.230 964 HG21 THR 124 3HG2 THR 124 1.723 11.971 10.019 965 HG22 THR 124 1HG2 THR 124 1.215 11.744 8.344 966 HG23 THR 124 2HG2 THR 124 2.173 13.155 8.793 967 H VAL 125 H VAL 125 5.918 12.681 7.638 968 HA VAL 125 HA VAL 125 7.536 10.454 6.640 969 HB VAL 125 HB VAL 125 8.337 13.352 7.129 970 HG11 VAL 125 1HG1 VAL 125 10.198 11.816 7.509 971 HG12 VAL 125 2HG1 VAL 125 10.457 12.758 6.042 972 HG13 VAL 125 3HG1 VAL 125 9.931 11.079 5.929 973 HG21 VAL 125 3HG2 VAL 125 8.492 13.613 4.757 974 HG22 VAL 125 1HG2 VAL 125 6.878 13.005 5.127 975 HG23 VAL 125 2HG2 VAL 125 8.141 11.917 4.491 976 H ASN 126 H ASN 126 7.948 9.170 8.326 977 HA ASN 126 HA ASN 126 8.722 10.451 10.825 978 HB2 ASN 126 2HB ASN 126 7.125 8.581 11.105 979 HB3 ASN 126 1HB ASN 126 8.220 7.503 10.249 980 HD21 ASN 126 1HD2 ASN 126 8.282 6.122 12.091 981 HD22 ASN 126 2HD2 ASN 126 9.224 6.540 13.472 982 HA PRO 127 HA PRO 127 12.682 9.664 8.848 983 HB2 PRO 127 2HB PRO 127 14.033 11.726 9.916 984 HB3 PRO 127 1HB PRO 127 12.865 11.952 8.611 985 HG2 PRO 127 2HG PRO 127 12.594 12.517 11.520 986 HG3 PRO 127 1HG PRO 127 11.922 13.395 10.140 987 HD2 PRO 127 2HD PRO 127 10.552 11.560 11.739 988 HD3 PRO 127 1HD PRO 127 10.040 12.125 10.136 989 H ASP 128 H ASP 128 11.892 9.843 12.173 990 HA ASP 128 HA ASP 128 14.510 8.782 12.897 991 HB2 ASP 128 2HB ASP 128 13.545 10.829 14.148 992 HB3 ASP 128 1HB ASP 128 12.431 9.680 14.887 993 H VAL 129 H VAL 129 13.763 7.006 11.796 994 HA VAL 129 HA VAL 129 12.191 5.230 13.456 995 HB VAL 129 HB VAL 129 10.988 5.633 11.375 996 HG11 VAL 129 1HG1 VAL 129 12.768 6.484 10.002 997 HG12 VAL 129 2HG1 VAL 129 11.943 5.169 9.162 998 HG13 VAL 129 3HG1 VAL 129 13.516 4.888 9.917 999 HG21 VAL 129 3HG2 VAL 129 10.919 3.332 12.178 1000 HG22 VAL 129 1HG2 VAL 129 12.368 2.948 11.248 1001 HG23 VAL 129 2HG2 VAL 129 10.872 3.371 10.415 1002 H GLU 130 H GLU 130 13.222 3.577 14.136 1003 HA GLU 130 HA GLU 130 16.008 3.341 13.893 1004 HB2 GLU 130 2HB GLU 130 13.926 1.506 15.015 1005 HB3 GLU 130 1HB GLU 130 15.651 1.154 15.086 1006 HG2 GLU 130 2HG GLU 130 14.323 3.593 16.234 1007 HG3 GLU 130 1HG GLU 130 14.820 2.158 17.142 1008 H THR 131 H THR 131 17.279 1.897 12.837 1009 HA THR 131 HA THR 131 15.898 0.363 10.792 1010 HB THR 131 HB THR 131 17.004 2.420 9.843 1011 HG1 THR 131 1HG THR 131 18.542 0.502 8.648 1012 HG21 THR 131 3HG2 THR 131 19.468 2.431 9.627 1013 HG22 THR 131 1HG2 THR 131 19.549 1.026 10.691 1014 HG23 THR 131 2HG2 THR 131 18.944 2.569 11.305 1015 H HIS 132 H HIS 132 17.298 -1.404 9.954 1016 HA HIS 132 HA HIS 132 19.115 -2.407 11.984 1017 HB2 HIS 132 2HB HIS 132 16.716 -3.325 12.225 1018 HB3 HIS 132 1HB HIS 132 16.998 -4.129 10.682 1019 HD1 HIS 132 1HD HIS 132 18.136 -6.391 10.822 1020 HD2 HIS 132 2HD HIS 132 18.520 -4.153 14.297 1021 HE1 HIS 132 1HE HIS 132 19.212 -7.900 12.526 Start of MODEL 23 1 H1 MET 1 1HT MET 1 43.426 4.322 -18.165 2 H2 MET 1 2HT MET 1 42.573 2.944 -17.824 3 H3 MET 1 3HT MET 1 43.152 3.897 -16.554 4 HA MET 1 HA MET 1 40.783 4.160 -16.905 5 HB2 MET 1 2HB MET 1 40.698 6.633 -17.136 6 HB3 MET 1 1HB MET 1 41.983 6.118 -16.064 7 HG2 MET 1 2HG MET 1 43.629 6.546 -17.771 8 HG3 MET 1 1HG MET 1 42.361 6.968 -18.931 9 HE1 MET 1 2HE MET 1 44.116 10.407 -18.161 10 HE2 MET 1 3HE MET 1 43.643 9.263 -19.418 11 HE3 MET 1 1HE MET 1 44.888 8.822 -18.250 12 H GLY 2 H GLY 2 39.654 6.131 -18.660 13 HA2 GLY 2 2HA GLY 2 39.381 6.389 -21.047 14 HA3 GLY 2 1HA GLY 2 39.901 4.711 -21.221 15 H SER 3 H SER 3 37.477 6.582 -19.465 16 HA SER 3 HA SER 3 35.806 4.290 -19.308 17 HB2 SER 3 2HB SER 3 35.225 7.136 -18.508 18 HB3 SER 3 1HB SER 3 34.329 5.698 -18.020 19 HG SER 3 HG SER 3 36.150 4.959 -16.948 20 H GLN 4 H GLN 4 35.546 3.909 -21.567 21 HA GLN 4 HA GLN 4 33.481 5.581 -22.812 22 HB2 GLN 4 2HB GLN 4 35.497 4.872 -24.183 23 HB3 GLN 4 1HB GLN 4 34.995 3.204 -23.954 24 HG2 GLN 4 2HG GLN 4 32.888 3.711 -25.129 25 HG3 GLN 4 1HG GLN 4 33.476 5.349 -25.410 26 HE21 GLN 4 1HE2 GLN 4 33.793 2.022 -26.267 27 HE22 GLN 4 2HE2 GLN 4 34.811 2.274 -27.643 28 H LYS 5 H LYS 5 31.689 4.989 -21.648 29 HA LYS 5 HA LYS 5 30.939 2.196 -21.671 30 HB2 LYS 5 2HB LYS 5 30.512 2.369 -19.123 31 HB3 LYS 5 1HB LYS 5 32.132 2.029 -19.702 32 HG2 LYS 5 2HG LYS 5 32.203 3.633 -17.860 33 HG3 LYS 5 1HG LYS 5 32.766 4.380 -19.347 34 HD2 LYS 5 2HD LYS 5 30.407 5.323 -19.591 35 HD3 LYS 5 1HD LYS 5 30.122 4.781 -17.938 36 HE2 LYS 5 2HE LYS 5 31.961 6.174 -17.145 37 HE3 LYS 5 1HE LYS 5 32.330 6.643 -18.799 38 HZ1 LYS 5 3HZ LYS 5 30.083 7.681 -18.887 39 HZ2 LYS 5 1HZ LYS 5 31.135 8.359 -17.752 40 HZ3 LYS 5 2HZ LYS 5 29.907 7.345 -17.234 41 H ARG 6 H ARG 6 28.874 1.816 -20.645 42 HA ARG 6 HA ARG 6 27.037 3.621 -19.733 43 HB2 ARG 6 2HB ARG 6 25.443 3.788 -21.564 44 HB3 ARG 6 1HB ARG 6 26.971 4.434 -22.137 45 HG2 ARG 6 2HG ARG 6 27.438 2.456 -23.334 46 HG3 ARG 6 1HG ARG 6 26.045 1.650 -22.604 47 HD2 ARG 6 2HD ARG 6 25.536 2.382 -24.912 48 HD3 ARG 6 1HD ARG 6 24.526 3.210 -23.727 49 HE ARG 6 HE ARG 6 26.941 4.584 -24.453 50 HH11 ARG 6 1HH1 ARG 6 23.456 4.230 -25.169 51 HH12 ARG 6 2HH1 ARG 6 23.365 5.708 -25.990 52 HH21 ARG 6 1HH2 ARG 6 26.745 6.629 -25.547 53 HH22 ARG 6 2HH2 ARG 6 25.244 7.104 -26.180 54 H LEU 7 H LEU 7 24.863 2.376 -19.692 55 HA LEU 7 HA LEU 7 25.458 -0.396 -19.264 56 HB2 LEU 7 2HB LEU 7 22.853 1.157 -19.169 57 HB3 LEU 7 1HB LEU 7 22.918 -0.570 -18.943 58 HG LEU 7 HG LEU 7 22.696 0.427 -16.814 59 HD11 LEU 7 1HD1 LEU 7 24.665 -0.321 -15.608 60 HD12 LEU 7 2HD1 LEU 7 25.544 -0.452 -17.129 61 HD13 LEU 7 3HD1 LEU 7 24.138 -1.477 -16.830 62 HD21 LEU 7 3HD2 LEU 7 25.097 2.151 -17.441 63 HD22 LEU 7 1HD2 LEU 7 24.305 2.044 -15.867 64 HD23 LEU 7 2HD2 LEU 7 23.427 2.690 -17.247 65 H VAL 8 H VAL 8 25.279 -1.956 -20.708 66 HA VAL 8 HA VAL 8 24.663 -1.172 -23.409 67 HB VAL 8 HB VAL 8 25.340 -3.474 -24.071 68 HG11 VAL 8 1HG1 VAL 8 27.002 -1.723 -23.975 69 HG12 VAL 8 2HG1 VAL 8 27.708 -3.260 -23.472 70 HG13 VAL 8 3HG1 VAL 8 27.274 -2.050 -22.265 71 HG21 VAL 8 3HG2 VAL 8 25.913 -3.863 -21.135 72 HG22 VAL 8 1HG2 VAL 8 26.329 -4.981 -22.430 73 HG23 VAL 8 2HG2 VAL 8 24.635 -4.673 -22.043 74 H GLN 9 H GLN 9 23.099 -2.754 -20.841 75 HA GLN 9 HA GLN 9 21.133 -3.996 -22.504 76 HB2 GLN 9 2HB GLN 9 19.910 -4.516 -20.457 77 HB3 GLN 9 1HB GLN 9 21.599 -4.950 -20.281 78 HG2 GLN 9 2HG GLN 9 22.010 -3.129 -18.827 79 HG3 GLN 9 1HG GLN 9 20.471 -2.370 -19.229 80 HE21 GLN 9 1HE2 GLN 9 22.019 -4.906 -17.435 81 HE22 GLN 9 2HE2 GLN 9 20.664 -5.297 -16.448 82 H ARG 10 H ARG 10 19.333 -3.185 -23.204 83 HA ARG 10 HA ARG 10 18.700 -0.414 -22.603 84 HB2 ARG 10 2HB ARG 10 17.474 -2.398 -24.561 85 HB3 ARG 10 1HB ARG 10 17.031 -0.698 -24.443 86 HG2 ARG 10 2HG ARG 10 19.213 -0.014 -25.156 87 HG3 ARG 10 1HG ARG 10 19.797 -1.672 -25.097 88 HD2 ARG 10 2HD ARG 10 19.390 -1.048 -27.376 89 HD3 ARG 10 1HD ARG 10 18.218 -2.260 -26.883 90 HE ARG 10 HE ARG 10 16.666 -0.304 -26.572 91 HH11 ARG 10 1HH1 ARG 10 19.331 -0.213 -28.944 92 HH12 ARG 10 2HH1 ARG 10 18.522 0.810 -30.021 93 HH21 ARG 10 1HH2 ARG 10 15.547 1.118 -28.125 94 HH22 ARG 10 2HH2 ARG 10 16.327 1.559 -29.561 95 H VAL 11 H VAL 11 17.034 0.074 -21.255 96 HA VAL 11 HA VAL 11 16.224 -1.951 -19.512 97 HB VAL 11 HB VAL 11 16.404 0.332 -18.682 98 HG11 VAL 11 1HG1 VAL 11 14.025 1.014 -20.385 99 HG12 VAL 11 2HG1 VAL 11 15.669 1.612 -20.590 100 HG13 VAL 11 3HG1 VAL 11 14.739 2.063 -19.161 101 HG21 VAL 11 3HG2 VAL 11 14.323 0.482 -17.372 102 HG22 VAL 11 1HG2 VAL 11 14.955 -1.163 -17.433 103 HG23 VAL 11 2HG2 VAL 11 13.580 -0.704 -18.440 104 H GLU 12 H GLU 12 14.978 -3.514 -19.891 105 HA GLU 12 HA GLU 12 12.557 -3.034 -21.427 106 HB2 GLU 12 2HB GLU 12 14.046 -4.456 -22.741 107 HB3 GLU 12 1HB GLU 12 14.236 -5.559 -21.383 108 HG2 GLU 12 2HG GLU 12 11.829 -6.072 -21.492 109 HG3 GLU 12 1HG GLU 12 11.677 -5.022 -22.895 110 H ARG 13 H ARG 13 11.398 -2.581 -19.619 111 HA ARG 13 HA ARG 13 10.909 -4.921 -18.017 112 HB2 ARG 13 2HB ARG 13 9.460 -3.409 -16.539 113 HB3 ARG 13 1HB ARG 13 11.161 -3.049 -16.518 114 HG2 ARG 13 2HG ARG 13 10.178 -0.958 -16.508 115 HG3 ARG 13 1HG ARG 13 10.553 -1.181 -18.210 116 HD2 ARG 13 2HD ARG 13 8.250 -1.751 -18.673 117 HD3 ARG 13 1HD ARG 13 7.860 -1.712 -16.951 118 HE ARG 13 HE ARG 13 8.983 0.731 -17.859 119 HH11 ARG 13 1HH1 ARG 13 5.913 -1.071 -17.887 120 HH12 ARG 13 2HH1 ARG 13 4.942 0.321 -17.839 121 HH21 ARG 13 1HH2 ARG 13 7.632 2.636 -17.761 122 HH22 ARG 13 2HH2 ARG 13 5.937 2.481 -17.786 123 H LYS 14 H LYS 14 9.578 -6.233 -18.746 124 HA LYS 14 HA LYS 14 7.921 -5.254 -20.939 125 HB2 LYS 14 2HB LYS 14 9.815 -6.564 -21.635 126 HB3 LYS 14 1HB LYS 14 9.283 -7.887 -20.613 127 HG2 LYS 14 2HG LYS 14 7.485 -8.396 -22.045 128 HG3 LYS 14 1HG LYS 14 7.626 -6.850 -22.896 129 HD2 LYS 14 2HD LYS 14 8.580 -8.653 -24.242 130 HD3 LYS 14 1HD LYS 14 9.818 -7.506 -23.743 131 HE2 LYS 14 2HE LYS 14 10.308 -9.100 -21.823 132 HE3 LYS 14 1HE LYS 14 9.312 -10.274 -22.682 133 HZ1 LYS 14 3HZ LYS 14 10.830 -9.932 -24.619 134 HZ2 LYS 14 1HZ LYS 14 11.560 -10.608 -23.243 135 HZ3 LYS 14 2HZ LYS 14 11.811 -8.989 -23.579 136 H LEU 15 H LEU 15 5.898 -5.269 -20.624 137 HA LEU 15 HA LEU 15 3.788 -5.766 -20.039 138 HB2 LEU 15 2HB LEU 15 4.856 -8.571 -19.642 139 HB3 LEU 15 1HB LEU 15 3.158 -8.146 -19.669 140 HG LEU 15 HG LEU 15 5.073 -7.881 -21.992 141 HD11 LEU 15 1HD1 LEU 15 2.825 -9.818 -21.498 142 HD12 LEU 15 2HD1 LEU 15 4.551 -10.191 -21.492 143 HD13 LEU 15 3HD1 LEU 15 3.762 -9.684 -22.985 144 HD21 LEU 15 3HD2 LEU 15 3.036 -7.396 -23.299 145 HD22 LEU 15 1HD2 LEU 15 3.375 -6.161 -22.087 146 HD23 LEU 15 2HD2 LEU 15 2.110 -7.356 -21.799 147 H GLU 16 H GLU 16 5.835 -5.017 -18.116 148 HA GLU 16 HA GLU 16 4.950 -6.238 -15.631 149 HB2 GLU 16 2HB GLU 16 7.225 -4.376 -16.260 150 HB3 GLU 16 1HB GLU 16 6.842 -4.964 -14.650 151 HG2 GLU 16 2HG GLU 16 7.264 -7.249 -15.372 152 HG3 GLU 16 1HG GLU 16 7.604 -6.670 -17.003 153 H GLN 17 H GLN 17 3.553 -5.280 -14.414 154 HA GLN 17 HA GLN 17 3.595 -2.446 -14.026 155 HB2 GLN 17 2HB GLN 17 1.998 -2.644 -15.892 156 HB3 GLN 17 1HB GLN 17 1.082 -3.835 -14.979 157 HG2 GLN 17 2HG GLN 17 -0.013 -1.668 -14.892 158 HG3 GLN 17 1HG GLN 17 0.548 -2.142 -13.291 159 HE21 GLN 17 1HE2 GLN 17 2.138 -0.866 -12.251 160 HE22 GLN 17 2HE2 GLN 17 2.680 0.610 -12.918 161 H THR 18 H THR 18 3.843 -2.509 -11.957 162 HA THR 18 HA THR 18 2.253 -4.419 -10.477 163 HB THR 18 HB THR 18 4.760 -4.297 -10.124 164 HG1 THR 18 1HG THR 18 3.480 -3.737 -7.671 165 HG21 THR 18 3HG2 THR 18 5.046 -1.855 -10.121 166 HG22 THR 18 1HG2 THR 18 5.631 -2.551 -8.609 167 HG23 THR 18 2HG2 THR 18 4.069 -1.741 -8.660 168 H VAL 19 H VAL 19 0.844 -3.745 -8.946 169 HA VAL 19 HA VAL 19 0.301 -1.285 -7.901 170 HB VAL 19 HB VAL 19 -0.003 -0.604 -10.350 171 HG11 VAL 19 1HG1 VAL 19 -2.361 -2.451 -10.294 172 HG12 VAL 19 2HG1 VAL 19 -0.908 -2.605 -11.282 173 HG13 VAL 19 3HG1 VAL 19 -2.028 -1.271 -11.562 174 HG21 VAL 19 3HG2 VAL 19 -1.097 0.724 -8.635 175 HG22 VAL 19 1HG2 VAL 19 -2.490 -0.358 -8.649 176 HG23 VAL 19 2HG2 VAL 19 -2.125 0.625 -10.066 177 H GLY 20 H GLY 20 -2.090 -1.372 -7.085 178 HA2 GLY 20 2HA GLY 20 -2.694 -4.039 -6.243 179 HA3 GLY 20 1HA GLY 20 -3.641 -2.599 -5.895 180 H ASP 21 H ASP 21 -2.752 -4.301 -8.844 181 HA ASP 21 HA ASP 21 -5.240 -3.833 -10.159 182 HB2 ASP 21 2HB ASP 21 -3.119 -4.218 -11.405 183 HB3 ASP 21 1HB ASP 21 -3.107 -5.881 -10.834 184 H ALA 22 H ALA 22 -3.873 -6.396 -8.361 185 HA ALA 22 HA ALA 22 -5.778 -8.411 -8.739 186 HB1 ALA 22 1HB ALA 22 -3.648 -8.799 -7.573 187 HB2 ALA 22 2HB ALA 22 -5.020 -9.344 -6.608 188 HB3 ALA 22 3HB ALA 22 -4.220 -7.823 -6.222 189 H PHE 23 H PHE 23 -5.675 -5.830 -6.415 190 HA PHE 23 HA PHE 23 -8.085 -6.506 -5.111 191 HB2 PHE 23 2HB PHE 23 -6.450 -4.048 -5.306 192 HB3 PHE 23 1HB PHE 23 -7.898 -4.091 -4.269 193 HD1 PHE 23 1HD PHE 23 -7.910 -5.692 -2.327 194 HD2 PHE 23 2HD PHE 23 -4.411 -4.992 -4.667 195 HE1 PHE 23 1HE PHE 23 -6.535 -6.736 -0.591 196 HE2 PHE 23 2HE PHE 23 -3.030 -6.026 -2.916 197 HZ PHE 23 HZ PHE 23 -4.094 -6.905 -0.874 198 H ALA 24 H ALA 24 -7.296 -4.477 -7.858 199 HA ALA 24 HA ALA 24 -9.836 -3.285 -8.143 200 HB1 ALA 24 1HB ALA 24 -7.766 -3.846 -10.273 201 HB2 ALA 24 2HB ALA 24 -7.826 -2.406 -9.255 202 HB3 ALA 24 3HB ALA 24 -9.120 -2.724 -10.413 203 H ARG 25 H ARG 25 -8.488 -6.338 -9.229 204 HA ARG 25 HA ARG 25 -10.710 -7.022 -10.872 205 HB2 ARG 25 2HB ARG 25 -8.619 -8.840 -9.654 206 HB3 ARG 25 1HB ARG 25 -9.701 -9.243 -10.981 207 HG2 ARG 25 2HG ARG 25 -8.651 -7.481 -12.347 208 HG3 ARG 25 1HG ARG 25 -7.545 -7.139 -11.021 209 HD2 ARG 25 2HD ARG 25 -7.750 -9.666 -12.644 210 HD3 ARG 25 1HD ARG 25 -6.418 -8.518 -12.620 211 HE ARG 25 HE ARG 25 -7.144 -10.367 -10.445 212 HH11 ARG 25 1HH1 ARG 25 -4.709 -8.119 -11.766 213 HH12 ARG 25 2HH1 ARG 25 -3.408 -8.894 -11.006 214 HH21 ARG 25 1HH2 ARG 25 -5.346 -11.401 -9.425 215 HH22 ARG 25 2HH2 ARG 25 -3.765 -10.806 -9.655 216 H ILE 26 H ILE 26 -9.868 -7.485 -7.525 217 HA ILE 26 HA ILE 26 -11.970 -9.321 -6.900 218 HB ILE 26 HB ILE 26 -10.417 -7.486 -5.042 219 HG12 ILE 26 2HG1 ILE 26 -9.997 -10.430 -5.624 220 HG13 ILE 26 1HG1 ILE 26 -9.016 -9.134 -6.294 221 HG21 ILE 26 1HG2 ILE 26 -11.138 -9.001 -3.241 222 HG22 ILE 26 2HG2 ILE 26 -12.131 -9.892 -4.395 223 HG23 ILE 26 3HG2 ILE 26 -12.509 -8.210 -4.021 224 HD11 ILE 26 3HD1 ILE 26 -8.328 -8.517 -4.005 225 HD12 ILE 26 1HD1 ILE 26 -7.887 -10.172 -4.426 226 HD13 ILE 26 2HD1 ILE 26 -9.274 -9.869 -3.382 227 H PHE 27 H PHE 27 -11.546 -5.842 -6.264 228 HA PHE 27 HA PHE 27 -14.153 -5.575 -5.151 229 HB2 PHE 27 2HB PHE 27 -12.129 -3.509 -5.964 230 HB3 PHE 27 1HB PHE 27 -13.676 -3.105 -5.241 231 HD1 PHE 27 1HD PHE 27 -14.177 -4.364 -2.975 232 HD2 PHE 27 2HD PHE 27 -10.297 -3.725 -4.591 233 HE1 PHE 27 1HE PHE 27 -13.208 -4.592 -0.729 234 HE2 PHE 27 2HE PHE 27 -9.318 -3.957 -2.351 235 HZ PHE 27 HZ PHE 27 -10.769 -4.390 -0.416 236 H GLY 28 H GLY 28 -12.882 -5.176 -8.362 237 HA2 GLY 28 2HA GLY 28 -13.889 -4.908 -10.347 238 HA3 GLY 28 1HA GLY 28 -15.402 -5.309 -9.551 239 H GLY 29 H GLY 29 -16.699 -3.755 -8.912 240 HA2 GLY 29 2HA GLY 29 -15.980 -0.988 -9.624 241 HA3 GLY 29 1HA GLY 29 -17.474 -1.692 -10.215 242 H SER 30 H SER 30 -16.775 -2.827 -7.117 243 HA SER 30 HA SER 30 -18.918 -1.209 -6.077 244 HB2 SER 30 2HB SER 30 -18.788 -3.628 -5.476 245 HB3 SER 30 1HB SER 30 -17.251 -3.342 -4.666 246 HG SER 30 HG SER 30 -19.748 -2.193 -3.990 247 H ILE 31 H ILE 31 -16.001 -1.933 -4.192 248 HA ILE 31 HA ILE 31 -15.685 0.943 -3.746 249 HB ILE 31 HB ILE 31 -14.434 -1.389 -2.227 250 HG12 ILE 31 2HG1 ILE 31 -16.863 -1.328 -1.853 251 HG13 ILE 31 1HG1 ILE 31 -15.996 -0.883 -0.391 252 HG21 ILE 31 1HG2 ILE 31 -13.064 0.617 -2.109 253 HG22 ILE 31 2HG2 ILE 31 -13.799 0.284 -0.544 254 HG23 ILE 31 3HG2 ILE 31 -14.456 1.559 -1.572 255 HD11 ILE 31 3HD1 ILE 31 -17.963 0.506 -0.713 256 HD12 ILE 31 1HD1 ILE 31 -17.369 1.018 -2.293 257 HD13 ILE 31 2HD1 ILE 31 -16.498 1.483 -0.833 258 H VAL 32 H VAL 32 -14.568 1.547 -5.520 259 HA VAL 32 HA VAL 32 -12.622 -0.193 -6.671 260 HB VAL 32 HB VAL 32 -13.172 2.685 -7.439 261 HG11 VAL 32 1HG1 VAL 32 -12.274 2.033 -9.614 262 HG12 VAL 32 2HG1 VAL 32 -11.998 0.398 -9.021 263 HG13 VAL 32 3HG1 VAL 32 -11.083 1.740 -8.346 264 HG21 VAL 32 3HG2 VAL 32 -15.246 1.415 -7.507 265 HG22 VAL 32 1HG2 VAL 32 -14.460 0.150 -8.450 266 HG23 VAL 32 2HG2 VAL 32 -14.689 1.751 -9.147 267 HA PRO 33 HA PRO 33 -9.306 1.184 -4.065 268 HB2 PRO 33 2HB PRO 33 -7.294 -0.135 -5.340 269 HB3 PRO 33 1HB PRO 33 -8.428 -0.923 -4.240 270 HG2 PRO 33 2HG PRO 33 -8.436 -0.823 -7.227 271 HG3 PRO 33 1HG PRO 33 -8.770 -2.194 -6.158 272 HD2 PRO 33 2HD PRO 33 -10.730 -0.791 -7.351 273 HD3 PRO 33 1HD PRO 33 -10.935 -1.498 -5.736 274 H GLN 34 H GLN 34 -9.777 2.189 -7.237 275 HA GLN 34 HA GLN 34 -7.259 3.402 -7.750 276 HB2 GLN 34 2HB GLN 34 -8.281 4.656 -9.522 277 HB3 GLN 34 1HB GLN 34 -8.983 3.052 -9.545 278 HG2 GLN 34 2HG GLN 34 -11.030 3.855 -8.583 279 HG3 GLN 34 1HG GLN 34 -10.311 5.427 -8.251 280 HE21 GLN 34 1HE2 GLN 34 -11.825 6.550 -9.441 281 HE22 GLN 34 2HE2 GLN 34 -11.895 6.455 -11.162 282 H GLU 35 H GLU 35 -9.944 4.208 -5.793 283 HA GLU 35 HA GLU 35 -9.511 6.991 -5.563 284 HB2 GLU 35 2HB GLU 35 -11.541 5.506 -4.904 285 HB3 GLU 35 1HB GLU 35 -10.668 5.280 -3.392 286 HG2 GLU 35 2HG GLU 35 -12.245 7.063 -3.143 287 HG3 GLU 35 1HG GLU 35 -10.602 7.715 -3.105 288 H VAL 36 H VAL 36 -8.484 4.151 -3.783 289 HA VAL 36 HA VAL 36 -7.008 5.468 -1.766 290 HB VAL 36 HB VAL 36 -6.504 2.690 -2.892 291 HG11 VAL 36 1HG1 VAL 36 -4.701 3.480 -1.469 292 HG12 VAL 36 2HG1 VAL 36 -5.595 2.190 -0.665 293 HG13 VAL 36 3HG1 VAL 36 -5.857 3.873 -0.197 294 HG21 VAL 36 3HG2 VAL 36 -8.842 2.888 -2.239 295 HG22 VAL 36 1HG2 VAL 36 -8.364 3.517 -0.662 296 HG23 VAL 36 2HG2 VAL 36 -7.974 1.856 -1.104 297 H GLU 37 H GLU 37 -6.098 3.981 -4.848 298 HA GLU 37 HA GLU 37 -3.431 4.588 -5.010 299 HB2 GLU 37 2HB GLU 37 -5.607 4.349 -7.017 300 HB3 GLU 37 1HB GLU 37 -4.033 4.917 -7.544 301 HG2 GLU 37 2HG GLU 37 -4.493 2.348 -6.068 302 HG3 GLU 37 1HG GLU 37 -4.370 2.487 -7.826 303 H ALA 38 H ALA 38 -6.128 6.622 -6.100 304 HA ALA 38 HA ALA 38 -4.687 8.778 -7.049 305 HB1 ALA 38 1HB ALA 38 -7.397 8.848 -5.733 306 HB2 ALA 38 2HB ALA 38 -7.085 8.475 -7.428 307 HB3 ALA 38 3HB ALA 38 -6.726 10.085 -6.795 308 H LEU 39 H LEU 39 -6.111 8.406 -3.804 309 HA LEU 39 HA LEU 39 -5.001 10.818 -2.880 310 HB2 LEU 39 2HB LEU 39 -6.223 8.495 -1.446 311 HB3 LEU 39 1HB LEU 39 -5.380 9.725 -0.534 312 HG LEU 39 HG LEU 39 -7.762 10.134 -0.485 313 HD11 LEU 39 1HD1 LEU 39 -6.317 12.069 -0.433 314 HD12 LEU 39 2HD1 LEU 39 -7.836 12.428 -1.247 315 HD13 LEU 39 3HD1 LEU 39 -6.375 12.182 -2.196 316 HD21 LEU 39 3HD2 LEU 39 -8.427 9.061 -2.565 317 HD22 LEU 39 1HD2 LEU 39 -7.612 10.320 -3.492 318 HD23 LEU 39 2HD2 LEU 39 -9.018 10.723 -2.509 319 H LEU 40 H LEU 40 -3.768 7.514 -2.679 320 HA LEU 40 HA LEU 40 -1.598 8.230 -1.035 321 HB2 LEU 40 2HB LEU 40 -2.262 5.818 -2.632 322 HB3 LEU 40 1HB LEU 40 -0.582 6.048 -2.199 323 HG LEU 40 HG LEU 40 -1.166 6.045 0.177 324 HD11 LEU 40 1HD1 LEU 40 -3.383 7.003 0.098 325 HD12 LEU 40 2HD1 LEU 40 -3.412 5.444 0.929 326 HD13 LEU 40 3HD1 LEU 40 -3.994 5.571 -0.729 327 HD21 LEU 40 3HD2 LEU 40 -2.291 3.697 -1.340 328 HD22 LEU 40 1HD2 LEU 40 -1.837 3.697 0.363 329 HD23 LEU 40 2HD2 LEU 40 -0.607 3.941 -0.874 330 H ARG 41 H ARG 41 -1.768 7.933 -4.577 331 HA ARG 41 HA ARG 41 0.985 8.634 -4.839 332 HB2 ARG 41 2HB ARG 41 0.592 8.804 -7.255 333 HB3 ARG 41 1HB ARG 41 -0.167 7.353 -6.623 334 HG2 ARG 41 2HG ARG 41 -2.323 8.472 -6.652 335 HG3 ARG 41 1HG ARG 41 -1.558 9.932 -7.300 336 HD2 ARG 41 2HD ARG 41 -2.570 8.771 -9.114 337 HD3 ARG 41 1HD ARG 41 -0.828 8.538 -9.242 338 HE ARG 41 HE ARG 41 -1.495 6.327 -7.961 339 HH11 ARG 41 1HH1 ARG 41 -3.182 7.870 -10.685 340 HH12 ARG 41 2HH1 ARG 41 -3.756 6.420 -11.344 341 HH21 ARG 41 1HH2 ARG 41 -2.287 4.296 -8.912 342 HH22 ARG 41 2HH2 ARG 41 -3.180 4.339 -10.348 343 H ARG 42 H ARG 42 -1.987 10.477 -4.752 344 HA ARG 42 HA ARG 42 -0.921 12.987 -5.522 345 HB2 ARG 42 2HB ARG 42 -3.305 12.642 -5.509 346 HB3 ARG 42 1HB ARG 42 -3.285 12.232 -3.806 347 HG2 ARG 42 2HG ARG 42 -2.635 14.562 -3.286 348 HG3 ARG 42 1HG ARG 42 -2.759 14.946 -5.006 349 HD2 ARG 42 2HD ARG 42 -5.087 14.372 -5.024 350 HD3 ARG 42 1HD ARG 42 -5.001 13.793 -3.363 351 HE ARG 42 HE ARG 42 -4.189 16.455 -3.411 352 HH11 ARG 42 1HH1 ARG 42 -7.131 14.551 -3.950 353 HH12 ARG 42 2HH1 ARG 42 -8.207 15.767 -3.523 354 HH21 ARG 42 1HH2 ARG 42 -5.655 18.168 -2.748 355 HH22 ARG 42 2HH2 ARG 42 -7.329 17.919 -2.805 356 H GLU 43 H GLU 43 -1.422 11.435 -2.378 357 HA GLU 43 HA GLU 43 -0.478 13.534 -0.773 358 HB2 GLU 43 2HB GLU 43 -1.811 11.614 0.037 359 HB3 GLU 43 1HB GLU 43 -0.446 10.557 -0.265 360 HG2 GLU 43 2HG GLU 43 -0.492 10.987 2.044 361 HG3 GLU 43 1HG GLU 43 0.845 11.924 1.385 362 H ALA 44 H ALA 44 1.117 10.811 -2.330 363 HA ALA 44 HA ALA 44 3.645 11.103 -1.211 364 HB1 ALA 44 1HB ALA 44 4.463 9.835 -3.127 365 HB2 ALA 44 2HB ALA 44 2.939 10.130 -3.973 366 HB3 ALA 44 3HB ALA 44 2.956 9.151 -2.506 367 H ALA 45 H ALA 45 2.187 12.624 -4.027 368 HA ALA 45 HA ALA 45 4.590 14.014 -4.768 369 HB1 ALA 45 1HB ALA 45 3.219 15.060 -6.483 370 HB2 ALA 45 2HB ALA 45 1.764 14.402 -5.735 371 HB3 ALA 45 3HB ALA 45 2.954 13.316 -6.450 372 H ASP 46 H ASP 46 1.690 14.761 -2.992 373 HA ASP 46 HA ASP 46 2.182 17.589 -2.827 374 HB2 ASP 46 2HB ASP 46 -0.095 16.686 -2.671 375 HB3 ASP 46 1HB ASP 46 0.341 15.821 -1.205 376 H GLY 47 H GLY 47 2.967 14.797 -0.899 377 HA2 GLY 47 2HA GLY 47 3.901 16.364 1.344 378 HA3 GLY 47 1HA GLY 47 3.929 14.613 1.181 379 H ILE 48 H ILE 48 5.166 16.202 -1.517 380 HA ILE 48 HA ILE 48 7.758 15.222 -1.162 381 HB ILE 48 HB ILE 48 6.474 17.082 -3.125 382 HG12 ILE 48 2HG1 ILE 48 6.110 14.719 -3.393 383 HG13 ILE 48 1HG1 ILE 48 7.077 15.337 -4.732 384 HG21 ILE 48 1HG2 ILE 48 8.650 18.065 -2.836 385 HG22 ILE 48 2HG2 ILE 48 8.520 17.290 -4.417 386 HG23 ILE 48 3HG2 ILE 48 9.419 16.499 -3.111 387 HD11 ILE 48 3HD1 ILE 48 7.934 13.213 -4.051 388 HD12 ILE 48 1HD1 ILE 48 8.063 13.728 -2.370 389 HD13 ILE 48 2HD1 ILE 48 9.093 14.459 -3.597 390 H GLN 49 H GLN 49 9.482 16.001 -0.320 391 HA GLN 49 HA GLN 49 9.423 18.755 0.624 392 HB2 GLN 49 2HB GLN 49 10.559 16.306 1.919 393 HB3 GLN 49 1HB GLN 49 10.993 17.937 2.419 394 HG2 GLN 49 2HG GLN 49 8.755 18.399 2.955 395 HG3 GLN 49 1HG GLN 49 8.213 16.834 2.351 396 HE21 GLN 49 1HE2 GLN 49 7.402 16.183 4.273 397 HE22 GLN 49 2HE2 GLN 49 8.367 15.751 5.653 398 H SER 50 H SER 50 11.102 19.913 0.305 399 HA SER 50 HA SER 50 12.882 19.151 -1.765 400 HB2 SER 50 2HB SER 50 12.793 21.629 -0.028 401 HB3 SER 50 1HB SER 50 13.715 21.442 -1.521 402 HG SER 50 HG SER 50 12.017 22.015 -2.521 403 H LEU 51 H LEU 51 14.780 18.365 -1.546 404 HA LEU 51 HA LEU 51 16.237 18.441 0.968 405 HB2 LEU 51 2HB LEU 51 14.705 16.337 0.618 406 HB3 LEU 51 1HB LEU 51 15.878 15.882 -0.596 407 HG LEU 51 HG LEU 51 17.641 15.850 1.201 408 HD11 LEU 51 1HD1 LEU 51 16.544 17.382 2.775 409 HD12 LEU 51 2HD1 LEU 51 16.925 15.822 3.510 410 HD13 LEU 51 3HD1 LEU 51 15.273 16.178 3.016 411 HD21 LEU 51 3HD2 LEU 51 16.505 13.819 0.483 412 HD22 LEU 51 1HD2 LEU 51 15.230 14.149 1.652 413 HD23 LEU 51 2HD2 LEU 51 16.862 13.782 2.213 414 H GLN 52 H GLN 52 18.348 16.832 0.046 415 HA GLN 52 HA GLN 52 19.805 18.419 -1.685 416 HB2 GLN 52 2HB GLN 52 20.027 15.432 -1.287 417 HB3 GLN 52 1HB GLN 52 21.262 16.441 -2.020 418 HG2 GLN 52 2HG GLN 52 21.460 17.685 0.092 419 HG3 GLN 52 1HG GLN 52 20.273 16.608 0.816 420 HE21 GLN 52 1HE2 GLN 52 21.355 14.252 -0.593 421 HE22 GLN 52 2HE2 GLN 52 22.812 13.875 0.224 422 H GLY 53 H GLY 53 20.287 18.301 -3.891 423 HA2 GLY 53 2HA GLY 53 18.024 17.966 -5.549 424 HA3 GLY 53 1HA GLY 53 19.633 18.398 -6.075 425 H ASN 54 H ASN 54 20.003 15.629 -4.475 426 HA ASN 54 HA ASN 54 20.455 14.001 -6.724 427 HB2 ASN 54 2HB ASN 54 20.015 13.167 -3.837 428 HB3 ASN 54 1HB ASN 54 20.623 12.112 -5.102 429 HD21 ASN 54 1HD2 ASN 54 22.712 12.402 -5.828 430 HD22 ASN 54 2HD2 ASN 54 23.890 13.311 -4.960 431 H ARG 55 H ARG 55 17.821 14.309 -4.396 432 HA ARG 55 HA ARG 55 15.800 13.585 -6.113 433 HB2 ARG 55 2HB ARG 55 15.113 11.395 -5.022 434 HB3 ARG 55 1HB ARG 55 16.469 11.328 -6.129 435 HG2 ARG 55 2HG ARG 55 17.994 11.353 -4.244 436 HG3 ARG 55 1HG ARG 55 16.624 11.353 -3.133 437 HD2 ARG 55 2HD ARG 55 17.491 9.091 -3.414 438 HD3 ARG 55 1HD ARG 55 15.857 9.228 -4.059 439 HE ARG 55 HE ARG 55 17.813 9.651 -6.077 440 HH11 ARG 55 1HH1 ARG 55 16.180 7.137 -4.234 441 HH12 ARG 55 2HH1 ARG 55 16.456 5.895 -5.369 442 HH21 ARG 55 1HH2 ARG 55 18.197 7.969 -7.673 443 HH22 ARG 55 2HH2 ARG 55 17.669 6.387 -7.374 444 H LEU 56 H LEU 56 13.721 13.415 -5.039 445 HA LEU 56 HA LEU 56 13.630 15.363 -2.840 446 HB2 LEU 56 2HB LEU 56 11.461 14.269 -4.617 447 HB3 LEU 56 1HB LEU 56 11.298 15.569 -3.453 448 HG LEU 56 HG LEU 56 13.052 15.676 -5.910 449 HD11 LEU 56 1HD1 LEU 56 10.363 16.922 -5.378 450 HD12 LEU 56 2HD1 LEU 56 10.697 15.593 -6.489 451 HD13 LEU 56 3HD1 LEU 56 11.369 17.194 -6.802 452 HD21 LEU 56 3HD2 LEU 56 13.867 17.104 -4.098 453 HD22 LEU 56 1HD2 LEU 56 12.258 17.805 -3.921 454 HD23 LEU 56 2HD2 LEU 56 13.181 18.073 -5.398 455 H LEU 57 H LEU 57 12.305 15.107 -1.069 456 HA LEU 57 HA LEU 57 12.328 12.371 -0.090 457 HB2 LEU 57 2HB LEU 57 13.279 14.553 1.057 458 HB3 LEU 57 1HB LEU 57 11.605 14.846 1.440 459 HG LEU 57 HG LEU 57 12.910 13.904 3.313 460 HD11 LEU 57 1HD1 LEU 57 10.675 12.152 2.360 461 HD12 LEU 57 2HD1 LEU 57 10.533 13.635 3.319 462 HD13 LEU 57 3HD1 LEU 57 11.334 12.217 3.997 463 HD21 LEU 57 3HD2 LEU 57 13.478 11.529 3.275 464 HD22 LEU 57 1HD2 LEU 57 14.407 12.473 2.120 465 HD23 LEU 57 2HD2 LEU 57 13.071 11.468 1.561 466 H ALA 58 H ALA 58 10.450 11.259 0.104 467 HA ALA 58 HA ALA 58 7.901 12.698 -0.219 468 HB1 ALA 58 1HB ALA 58 8.476 11.359 -2.199 469 HB2 ALA 58 2HB ALA 58 7.079 10.675 -1.374 470 HB3 ALA 58 3HB ALA 58 8.665 9.931 -1.184 471 HA PRO 59 HA PRO 59 6.443 10.719 3.613 472 HB2 PRO 59 2HB PRO 59 4.027 9.859 2.133 473 HB3 PRO 59 1HB PRO 59 4.150 10.863 3.580 474 HG2 PRO 59 2HG PRO 59 3.505 11.959 1.258 475 HG3 PRO 59 1HG PRO 59 4.624 12.783 2.364 476 HD2 PRO 59 2HD PRO 59 5.251 11.191 -0.100 477 HD3 PRO 59 1HD PRO 59 5.911 12.753 0.432 478 H ASN 60 H ASN 60 5.902 8.728 4.571 479 HA ASN 60 HA ASN 60 6.286 6.373 2.875 480 HB2 ASN 60 2HB ASN 60 7.738 5.318 4.650 481 HB3 ASN 60 1HB ASN 60 8.478 6.631 3.751 482 HD21 ASN 60 1HD2 ASN 60 9.184 8.329 4.798 483 HD22 ASN 60 2HD2 ASN 60 9.180 8.527 6.517 484 H GLU 61 H GLU 61 5.010 7.704 5.827 485 HA GLU 61 HA GLU 61 3.698 5.152 6.355 486 HB2 GLU 61 2HB GLU 61 4.887 6.172 8.246 487 HB3 GLU 61 1HB GLU 61 3.942 7.639 8.062 488 HG2 GLU 61 2HG GLU 61 1.920 6.447 8.656 489 HG3 GLU 61 1HG GLU 61 2.819 4.936 8.757 490 H TYR 62 H TYR 62 1.755 4.927 5.545 491 HA TYR 62 HA TYR 62 0.105 7.345 5.184 492 HB2 TYR 62 2HB TYR 62 0.157 4.871 3.442 493 HB3 TYR 62 1HB TYR 62 -1.004 6.173 3.285 494 HD1 TYR 62 1HD TYR 62 2.665 5.528 3.172 495 HD2 TYR 62 2HD TYR 62 -0.554 7.975 1.868 496 HE1 TYR 62 1HE TYR 62 4.191 6.729 1.684 497 HE2 TYR 62 2HE TYR 62 0.977 9.184 0.367 498 HH TYR 62 HH TYR 62 4.165 8.098 -0.264 499 H ILE 63 H ILE 63 -1.460 7.368 6.528 500 HA ILE 63 HA ILE 63 -2.532 4.812 7.473 501 HB ILE 63 HB ILE 63 -2.901 7.570 8.706 502 HG12 ILE 63 2HG1 ILE 63 -1.125 5.279 9.604 503 HG13 ILE 63 1HG1 ILE 63 -0.553 6.747 8.828 504 HG21 ILE 63 1HG2 ILE 63 -3.598 4.807 9.725 505 HG22 ILE 63 2HG2 ILE 63 -4.746 6.034 9.188 506 HG23 ILE 63 3HG2 ILE 63 -3.773 6.308 10.635 507 HD11 ILE 63 3HD1 ILE 63 -1.342 8.058 10.731 508 HD12 ILE 63 1HD1 ILE 63 -0.199 6.814 11.232 509 HD13 ILE 63 2HD1 ILE 63 -1.927 6.586 11.507 510 H ILE 64 H ILE 64 -4.218 4.193 6.347 511 HA ILE 64 HA ILE 64 -6.018 6.195 5.244 512 HB ILE 64 HB ILE 64 -5.875 3.225 4.558 513 HG12 ILE 64 2HG1 ILE 64 -5.079 4.132 2.258 514 HG13 ILE 64 1HG1 ILE 64 -4.688 5.608 3.126 515 HG21 ILE 64 1HG2 ILE 64 -7.324 3.820 2.663 516 HG22 ILE 64 2HG2 ILE 64 -7.389 5.478 3.261 517 HG23 ILE 64 3HG2 ILE 64 -8.069 4.171 4.223 518 HD11 ILE 64 3HD1 ILE 64 -3.514 2.885 3.644 519 HD12 ILE 64 1HD1 ILE 64 -3.116 4.364 4.519 520 HD13 ILE 64 2HD1 ILE 64 -2.727 4.221 2.806 521 H THR 65 H THR 65 -7.659 6.592 6.453 522 HA THR 65 HA THR 65 -8.706 4.508 8.202 523 HB THR 65 HB THR 65 -8.975 7.507 8.457 524 HG1 THR 65 1HG THR 65 -6.995 5.727 9.088 525 HG21 THR 65 3HG2 THR 65 -9.655 6.964 10.761 526 HG22 THR 65 1HG2 THR 65 -9.493 5.247 10.410 527 HG23 THR 65 2HG2 THR 65 -10.732 6.195 9.601 528 H LEU 66 H LEU 66 -10.573 3.750 7.641 529 HA LEU 66 HA LEU 66 -12.377 5.281 5.893 530 HB2 LEU 66 2HB LEU 66 -11.814 2.378 6.223 531 HB3 LEU 66 1HB LEU 66 -13.454 2.832 5.844 532 HG LEU 66 HG LEU 66 -12.207 2.163 3.849 533 HD11 LEU 66 1HD1 LEU 66 -12.704 4.069 2.440 534 HD12 LEU 66 2HD1 LEU 66 -12.924 5.067 3.880 535 HD13 LEU 66 3HD1 LEU 66 -13.998 3.704 3.576 536 HD21 LEU 66 3HD2 LEU 66 -9.964 2.835 4.518 537 HD22 LEU 66 1HD2 LEU 66 -10.442 4.530 4.436 538 HD23 LEU 66 2HD2 LEU 66 -10.404 3.552 2.969 539 H GLY 67 H GLY 67 -14.754 4.521 6.282 540 HA2 GLY 67 2HA GLY 67 -15.369 5.128 9.012 541 HA3 GLY 67 1HA GLY 67 -16.526 4.799 7.711 542 H VAL 68 H VAL 68 -16.923 3.683 10.159 543 HA VAL 68 HA VAL 68 -15.699 1.191 10.500 544 HB VAL 68 HB VAL 68 -16.740 2.102 12.349 545 HG11 VAL 68 1HG1 VAL 68 -19.376 1.982 10.873 546 HG12 VAL 68 2HG1 VAL 68 -18.492 3.442 11.322 547 HG13 VAL 68 3HG1 VAL 68 -19.209 2.423 12.572 548 HG21 VAL 68 3HG2 VAL 68 -18.241 0.294 13.176 549 HG22 VAL 68 1HG2 VAL 68 -16.789 -0.308 12.373 550 HG23 VAL 68 2HG2 VAL 68 -18.333 -0.326 11.527 551 H HIS 69 H HIS 69 -18.759 1.922 8.877 552 HA HIS 69 HA HIS 69 -19.398 -0.759 8.295 553 HB2 HIS 69 2HB HIS 69 -21.017 1.173 8.174 554 HB3 HIS 69 1HB HIS 69 -20.221 1.683 6.695 555 HD1 HIS 69 1HD HIS 69 -22.630 -0.857 8.022 556 HD2 HIS 69 2HD HIS 69 -20.781 0.103 4.432 557 HE1 HIS 69 1HE HIS 69 -23.848 -2.156 6.246 558 H ASP 70 H ASP 70 -17.449 1.624 6.625 559 HA ASP 70 HA ASP 70 -17.159 0.171 4.194 560 HB2 ASP 70 2HB ASP 70 -15.318 2.251 5.386 561 HB3 ASP 70 1HB ASP 70 -15.210 1.638 3.745 562 H PHE 71 H PHE 71 -15.286 0.393 7.224 563 HA PHE 71 HA PHE 71 -13.217 -1.187 6.156 564 HB2 PHE 71 2HB PHE 71 -12.894 0.480 7.785 565 HB3 PHE 71 1HB PHE 71 -13.800 -0.432 9.007 566 HD1 PHE 71 1HD PHE 71 -10.805 -0.383 6.905 567 HD2 PHE 71 2HD PHE 71 -12.751 -2.190 10.179 568 HE1 PHE 71 1HE PHE 71 -8.699 -1.569 7.474 569 HE2 PHE 71 2HE PHE 71 -10.666 -3.389 10.789 570 HZ PHE 71 HZ PHE 71 -8.640 -3.072 9.424 571 H GLU 72 H GLU 72 -16.210 -1.906 7.751 572 HA GLU 72 HA GLU 72 -15.609 -4.531 8.510 573 HB2 GLU 72 2HB GLU 72 -18.200 -3.389 7.471 574 HB3 GLU 72 1HB GLU 72 -18.025 -4.986 8.176 575 HG2 GLU 72 2HG GLU 72 -17.264 -3.913 10.279 576 HG3 GLU 72 1HG GLU 72 -17.598 -2.344 9.549 577 H LYS 73 H LYS 73 -16.181 -3.084 5.430 578 HA LYS 73 HA LYS 73 -16.439 -5.593 4.027 579 HB2 LYS 73 2HB LYS 73 -16.029 -2.823 2.888 580 HB3 LYS 73 1HB LYS 73 -16.587 -4.242 2.022 581 HG2 LYS 73 2HG LYS 73 -18.076 -2.774 4.195 582 HG3 LYS 73 1HG LYS 73 -18.413 -2.706 2.467 583 HD2 LYS 73 2HD LYS 73 -18.921 -5.106 2.489 584 HD3 LYS 73 1HD LYS 73 -18.607 -5.143 4.226 585 HE2 LYS 73 2HE LYS 73 -20.428 -3.544 4.588 586 HE3 LYS 73 1HE LYS 73 -20.740 -3.512 2.852 587 HZ1 LYS 73 3HZ LYS 73 -21.242 -5.923 2.993 588 HZ2 LYS 73 1HZ LYS 73 -22.264 -4.995 3.965 589 HZ3 LYS 73 2HZ LYS 73 -21.017 -5.830 4.662 590 H LEU 74 H LEU 74 -13.953 -3.320 4.841 591 HA LEU 74 HA LEU 74 -12.071 -4.506 2.905 592 HB2 LEU 74 2HB LEU 74 -11.570 -2.242 4.818 593 HB3 LEU 74 1HB LEU 74 -10.544 -2.744 3.498 594 HG LEU 74 HG LEU 74 -13.227 -1.400 3.320 595 HD11 LEU 74 1HD1 LEU 74 -11.966 0.395 2.269 596 HD12 LEU 74 2HD1 LEU 74 -10.477 -0.513 2.515 597 HD13 LEU 74 3HD1 LEU 74 -11.400 0.056 3.908 598 HD21 LEU 74 3HD2 LEU 74 -13.056 -3.041 1.501 599 HD22 LEU 74 1HD2 LEU 74 -11.459 -2.428 1.075 600 HD23 LEU 74 2HD2 LEU 74 -12.881 -1.410 0.864 601 H GLY 75 H GLY 75 -12.886 -4.933 6.138 602 HA2 GLY 75 2HA GLY 75 -10.160 -5.326 7.050 603 HA3 GLY 75 1HA GLY 75 -11.588 -5.251 8.052 604 H ALA 76 H ALA 76 -11.627 -7.421 5.330 605 HA ALA 76 HA ALA 76 -11.729 -9.630 7.162 606 HB1 ALA 76 1HB ALA 76 -13.070 -9.636 5.067 607 HB2 ALA 76 2HB ALA 76 -12.042 -11.053 5.229 608 HB3 ALA 76 3HB ALA 76 -11.573 -9.755 4.136 609 H ASP 77 H ASP 77 -9.417 -8.229 4.986 610 HA ASP 77 HA ASP 77 -7.266 -9.645 6.389 611 HB2 ASP 77 2HB ASP 77 -7.334 -9.382 3.358 612 HB3 ASP 77 1HB ASP 77 -5.995 -9.988 4.304 613 HA PRO 78 HA PRO 78 -6.713 -5.072 5.941 614 HB2 PRO 78 2HB PRO 78 -5.569 -5.277 8.638 615 HB3 PRO 78 1HB PRO 78 -6.854 -4.228 8.046 616 HG2 PRO 78 2HG PRO 78 -7.366 -6.300 9.676 617 HG3 PRO 78 1HG PRO 78 -8.507 -5.797 8.415 618 HD2 PRO 78 2HD PRO 78 -6.576 -8.070 8.445 619 HD3 PRO 78 1HD PRO 78 -8.240 -8.018 7.825 620 H GLU 79 H GLU 79 -4.381 -7.226 7.637 621 HA GLU 79 HA GLU 79 -2.144 -5.658 7.024 622 HB2 GLU 79 2HB GLU 79 -2.090 -7.315 8.835 623 HB3 GLU 79 1HB GLU 79 -2.241 -8.619 7.665 624 HG2 GLU 79 2HG GLU 79 -0.065 -8.133 6.764 625 HG3 GLU 79 1HG GLU 79 0.066 -6.695 7.768 626 H LEU 80 H LEU 80 -3.631 -8.291 5.280 627 HA LEU 80 HA LEU 80 -1.727 -8.736 3.294 628 HB2 LEU 80 2HB LEU 80 -3.690 -10.149 3.511 629 HB3 LEU 80 1HB LEU 80 -4.737 -8.801 3.116 630 HG LEU 80 HG LEU 80 -3.825 -8.781 0.820 631 HD11 LEU 80 1HD1 LEU 80 -1.632 -9.737 1.273 632 HD12 LEU 80 2HD1 LEU 80 -2.485 -10.618 0.009 633 HD13 LEU 80 3HD1 LEU 80 -2.385 -11.295 1.632 634 HD21 LEU 80 3HD2 LEU 80 -4.937 -11.434 1.722 635 HD22 LEU 80 1HD2 LEU 80 -4.932 -10.830 0.065 636 HD23 LEU 80 2HD2 LEU 80 -5.870 -9.997 1.306 637 H LYS 81 H LYS 81 -4.488 -6.508 3.166 638 HA LYS 81 HA LYS 81 -3.565 -5.392 0.724 639 HB2 LYS 81 2HB LYS 81 -5.407 -3.773 0.959 640 HB3 LYS 81 1HB LYS 81 -5.851 -5.467 0.956 641 HG2 LYS 81 2HG LYS 81 -5.925 -5.274 3.486 642 HG3 LYS 81 1HG LYS 81 -5.871 -3.524 3.227 643 HD2 LYS 81 2HD LYS 81 -8.192 -4.091 3.310 644 HD3 LYS 81 1HD LYS 81 -7.680 -3.819 1.619 645 HE2 LYS 81 2HE LYS 81 -7.658 -6.137 1.111 646 HE3 LYS 81 1HE LYS 81 -7.816 -6.583 2.808 647 HZ1 LYS 81 3HZ LYS 81 -10.055 -5.775 2.783 648 HZ2 LYS 81 1HZ LYS 81 -9.836 -6.884 1.564 649 HZ3 LYS 81 2HZ LYS 81 -9.933 -5.279 1.155 650 H SER 82 H SER 82 -2.946 -4.627 3.994 651 HA SER 82 HA SER 82 -2.027 -1.979 3.505 652 HB2 SER 82 2HB SER 82 -1.269 -3.895 5.725 653 HB3 SER 82 1HB SER 82 -0.987 -2.150 5.731 654 HG SER 82 HG SER 82 -3.529 -3.391 5.528 655 H THR 83 H THR 83 -0.579 -5.187 3.434 656 HA THR 83 HA THR 83 2.070 -4.301 2.999 657 HB THR 83 HB THR 83 0.784 -6.950 2.271 658 HG1 THR 83 1HG THR 83 0.469 -6.689 4.434 659 HG21 THR 83 3HG2 THR 83 3.062 -7.835 2.513 660 HG22 THR 83 1HG2 THR 83 3.654 -6.210 2.879 661 HG23 THR 83 2HG2 THR 83 3.007 -6.575 1.279 662 H GLY 84 H GLY 84 -0.618 -5.261 0.898 663 HA2 GLY 84 2HA GLY 84 0.632 -5.217 -1.589 664 HA3 GLY 84 1HA GLY 84 -1.072 -4.878 -1.314 665 H PHE 85 H PHE 85 -1.189 -2.525 -0.093 666 HA PHE 85 HA PHE 85 -0.348 -0.799 -2.164 667 HB2 PHE 85 2HB PHE 85 -1.814 -0.341 0.391 668 HB3 PHE 85 1HB PHE 85 -1.254 1.042 -0.561 669 HD1 PHE 85 1HD PHE 85 -3.530 -1.837 -0.420 670 HD2 PHE 85 2HD PHE 85 -2.281 1.553 -2.666 671 HE1 PHE 85 1HE PHE 85 -5.539 -2.035 -1.833 672 HE2 PHE 85 2HE PHE 85 -4.277 1.372 -4.075 673 HZ PHE 85 HZ PHE 85 -5.916 -0.432 -3.664 674 H ALA 86 H ALA 86 1.158 -1.696 0.789 675 HA ALA 86 HA ALA 86 2.867 0.585 0.950 676 HB1 ALA 86 1HB ALA 86 3.287 -2.168 2.114 677 HB2 ALA 86 2HB ALA 86 2.444 -0.836 2.901 678 HB3 ALA 86 3HB ALA 86 4.171 -0.707 2.560 679 H ARG 87 H ARG 87 3.290 -2.718 -0.385 680 HA ARG 87 HA ARG 87 5.950 -2.478 -1.165 681 HB2 ARG 87 2HB ARG 87 5.540 -4.397 -2.546 682 HB3 ARG 87 1HB ARG 87 4.588 -4.593 -1.061 683 HG2 ARG 87 2HG ARG 87 2.608 -3.916 -2.233 684 HG3 ARG 87 1HG ARG 87 3.529 -3.605 -3.682 685 HD2 ARG 87 2HD ARG 87 4.023 -6.058 -3.763 686 HD3 ARG 87 1HD ARG 87 2.886 -6.249 -2.416 687 HE ARG 87 HE ARG 87 1.800 -4.680 -4.530 688 HH11 ARG 87 1HH1 ARG 87 2.200 -8.051 -3.501 689 HH12 ARG 87 2HH1 ARG 87 0.936 -8.606 -4.511 690 HH21 ARG 87 1HH2 ARG 87 0.158 -5.455 -5.853 691 HH22 ARG 87 2HH2 ARG 87 -0.246 -7.127 -5.880 692 H ASP 88 H ASP 88 2.983 -1.749 -2.788 693 HA ASP 88 HA ASP 88 4.286 -1.045 -5.222 694 HB2 ASP 88 2HB ASP 88 1.374 -0.826 -4.471 695 HB3 ASP 88 1HB ASP 88 2.006 -0.345 -6.048 696 H LEU 89 H LEU 89 2.996 0.848 -2.562 697 HA LEU 89 HA LEU 89 3.342 3.337 -3.840 698 HB2 LEU 89 2HB LEU 89 2.138 2.843 -1.624 699 HB3 LEU 89 1HB LEU 89 3.708 2.789 -0.874 700 HG LEU 89 HG LEU 89 2.484 4.906 -0.465 701 HD11 LEU 89 1HD1 LEU 89 5.013 5.266 -2.049 702 HD12 LEU 89 2HD1 LEU 89 4.885 4.988 -0.312 703 HD13 LEU 89 3HD1 LEU 89 4.271 6.483 -1.015 704 HD21 LEU 89 3HD2 LEU 89 2.173 6.530 -2.242 705 HD22 LEU 89 1HD2 LEU 89 1.294 5.043 -2.586 706 HD23 LEU 89 2HD2 LEU 89 2.810 5.389 -3.424 707 H ALA 90 H ALA 90 5.517 1.214 -2.055 708 HA ALA 90 HA ALA 90 7.774 2.887 -2.022 709 HB1 ALA 90 1HB ALA 90 7.597 0.859 -0.645 710 HB2 ALA 90 2HB ALA 90 9.069 0.852 -1.620 711 HB3 ALA 90 3HB ALA 90 7.688 -0.136 -2.098 712 H ASP 91 H ASP 91 6.501 0.702 -4.450 713 HA ASP 91 HA ASP 91 8.784 0.935 -6.154 714 HB2 ASP 91 2HB ASP 91 7.243 -1.000 -6.345 715 HB3 ASP 91 1HB ASP 91 5.985 0.085 -6.942 716 H TYR 92 H TYR 92 5.617 2.494 -6.050 717 HA TYR 92 HA TYR 92 5.823 4.222 -8.215 718 HB2 TYR 92 2HB TYR 92 4.420 4.413 -5.604 719 HB3 TYR 92 1HB TYR 92 4.565 5.872 -6.571 720 HD1 TYR 92 2HD TYR 92 3.582 5.926 -8.828 721 HD2 TYR 92 1HD TYR 92 2.857 2.705 -6.162 722 HE1 TYR 92 2HE TYR 92 1.565 5.316 -10.126 723 HE2 TYR 92 1HE TYR 92 0.860 2.067 -7.456 724 HH TYR 92 HH TYR 92 -0.695 3.094 -8.920 725 H ILE 93 H ILE 93 7.021 4.823 -4.903 726 HA ILE 93 HA ILE 93 8.016 7.347 -5.668 727 HB ILE 93 HB ILE 93 9.334 7.419 -3.583 728 HG12 ILE 93 2HG1 ILE 93 8.343 4.591 -3.123 729 HG13 ILE 93 1HG1 ILE 93 9.994 5.027 -3.522 730 HG21 ILE 93 1HG2 ILE 93 7.458 7.279 -2.010 731 HG22 ILE 93 2HG2 ILE 93 6.528 6.391 -3.216 732 HG23 ILE 93 3HG2 ILE 93 6.998 8.060 -3.523 733 HD11 ILE 93 3HD1 ILE 93 10.177 6.274 -1.422 734 HD12 ILE 93 1HD1 ILE 93 9.753 4.586 -1.144 735 HD13 ILE 93 2HD1 ILE 93 8.515 5.837 -1.023 736 H GLN 94 H GLN 94 9.413 4.162 -5.844 737 HA GLN 94 HA GLN 94 12.032 5.015 -6.488 738 HB2 GLN 94 2HB GLN 94 10.554 2.502 -7.200 739 HB3 GLN 94 1HB GLN 94 12.236 2.781 -7.614 740 HG2 GLN 94 2HG GLN 94 11.020 2.586 -4.860 741 HG3 GLN 94 1HG GLN 94 12.068 1.400 -5.625 742 HE21 GLN 94 1HE2 GLN 94 12.380 2.736 -3.133 743 HE22 GLN 94 2HE2 GLN 94 13.846 3.618 -3.170 744 H GLU 95 H GLU 95 9.119 4.446 -8.409 745 HA GLU 95 HA GLU 95 10.207 4.646 -10.927 746 HB2 GLU 95 2HB GLU 95 7.515 5.308 -9.821 747 HB3 GLU 95 1HB GLU 95 7.784 5.411 -11.530 748 HG2 GLU 95 2HG GLU 95 8.513 2.957 -11.343 749 HG3 GLU 95 1HG GLU 95 7.805 3.024 -9.729 750 H GLN 96 H GLN 96 8.995 7.048 -8.714 751 HA GLN 96 HA GLN 96 9.267 9.278 -10.520 752 HB2 GLN 96 2HB GLN 96 8.953 9.310 -7.536 753 HB3 GLN 96 1HB GLN 96 8.592 10.622 -8.635 754 HG2 GLN 96 2HG GLN 96 7.140 7.994 -8.385 755 HG3 GLN 96 1HG GLN 96 6.563 9.575 -7.873 756 HE21 GLN 96 1HE2 GLN 96 5.517 7.562 -9.721 757 HE22 GLN 96 2HE2 GLN 96 5.249 8.364 -11.203 758 H GLY 97 H GLY 97 11.350 7.541 -8.522 759 HA2 GLY 97 2HA GLY 97 13.603 7.803 -8.121 760 HA3 GLY 97 1HA GLY 97 13.541 9.322 -9.006 761 H TRP 98 H TRP 98 11.585 8.456 -6.192 762 HA TRP 98 HA TRP 98 12.799 10.731 -4.811 763 HB2 TRP 98 2HB TRP 98 10.167 9.334 -4.306 764 HB3 TRP 98 1HB TRP 98 10.797 10.654 -3.329 765 HD1 TRP 98 HD TRP 98 11.810 12.360 -5.991 766 HE1 TRP 98 1HE TRP 98 10.030 13.617 -7.318 767 HE3 TRP 98 3HE TRP 98 7.664 9.837 -4.372 768 HZ2 TRP 98 2HZ TRP 98 7.218 13.587 -7.632 769 HZ3 TRP 98 3HZ TRP 98 5.461 10.530 -5.232 770 HH2 TRP 98 HH TRP 98 5.246 12.366 -6.823 771 H GLN 99 H GLN 99 12.638 10.482 -2.330 772 HA GLN 99 HA GLN 99 13.499 7.837 -1.434 773 HB2 GLN 99 2HB GLN 99 15.310 8.904 -0.111 774 HB3 GLN 99 1HB GLN 99 15.570 9.014 -1.845 775 HG2 GLN 99 2HG GLN 99 14.828 11.333 -1.824 776 HG3 GLN 99 1HG GLN 99 14.482 11.219 -0.103 777 HE21 GLN 99 1HE2 GLN 99 16.375 12.958 -1.606 778 HE22 GLN 99 2HE2 GLN 99 17.893 12.638 -0.843 779 H THR 100 H THR 100 13.651 7.915 1.105 780 HA THR 100 HA THR 100 12.032 9.894 2.350 781 HB THR 100 HB THR 100 10.321 8.429 1.237 782 HG1 THR 100 1HG THR 100 9.420 9.305 2.835 783 HG21 THR 100 3HG2 THR 100 9.906 6.169 2.127 784 HG22 THR 100 1HG2 THR 100 11.347 6.305 3.139 785 HG23 THR 100 2HG2 THR 100 11.501 6.277 1.383 786 H TYR 101 H TYR 101 12.076 9.671 4.679 787 HA TYR 101 HA TYR 101 14.048 7.717 5.632 788 HB2 TYR 101 2HB TYR 101 13.244 10.387 6.844 789 HB3 TYR 101 1HB TYR 101 14.363 9.253 7.587 790 HD1 TYR 101 1HD TYR 101 16.458 8.632 6.155 791 HD2 TYR 101 2HD TYR 101 14.073 12.080 5.487 792 HE1 TYR 101 1HE TYR 101 18.331 9.682 4.954 793 HE2 TYR 101 2HE TYR 101 15.917 13.143 4.282 794 HH TYR 101 HH TYR 101 18.683 11.362 3.311 795 H GLY 102 H GLY 102 13.242 6.140 6.785 796 HA2 GLY 102 2HA GLY 102 11.700 5.573 8.686 797 HA3 GLY 102 1HA GLY 102 10.460 6.378 7.713 798 H ASP 103 H ASP 103 9.239 4.425 7.420 799 HA ASP 103 HA ASP 103 10.414 2.797 5.319 800 HB2 ASP 103 2HB ASP 103 10.735 1.536 7.485 801 HB3 ASP 103 1HB ASP 103 8.978 1.520 7.652 802 H VAL 104 H VAL 104 8.968 2.143 3.838 803 HA VAL 104 HA VAL 104 6.544 3.695 3.824 804 HB VAL 104 HB VAL 104 7.487 1.684 1.760 805 HG11 VAL 104 1HG1 VAL 104 5.440 3.892 1.569 806 HG12 VAL 104 2HG1 VAL 104 5.110 2.158 1.584 807 HG13 VAL 104 3HG1 VAL 104 5.982 2.880 0.230 808 HG21 VAL 104 3HG2 VAL 104 8.303 3.625 0.494 809 HG22 VAL 104 1HG2 VAL 104 9.134 3.459 2.041 810 HG23 VAL 104 2HG2 VAL 104 7.875 4.678 1.843 811 H VAL 105 H VAL 105 5.021 3.030 5.068 812 HA VAL 105 HA VAL 105 3.940 0.379 4.653 813 HB VAL 105 HB VAL 105 3.450 0.169 7.125 814 HG11 VAL 105 1HG1 VAL 105 6.367 0.167 6.363 815 HG12 VAL 105 2HG1 VAL 105 5.229 -1.158 6.135 816 HG13 VAL 105 3HG1 VAL 105 5.680 -0.652 7.764 817 HG21 VAL 105 3HG2 VAL 105 3.800 2.496 7.795 818 HG22 VAL 105 1HG2 VAL 105 5.510 2.365 7.387 819 HG23 VAL 105 2HG2 VAL 105 4.845 1.422 8.722 820 H VAL 106 H VAL 106 1.817 0.468 4.308 821 HA VAL 106 HA VAL 106 0.511 2.917 5.103 822 HB VAL 106 HB VAL 106 -1.072 2.591 3.385 823 HG11 VAL 106 1HG1 VAL 106 1.566 1.829 2.175 824 HG12 VAL 106 2HG1 VAL 106 1.088 3.460 2.579 825 HG13 VAL 106 3HG1 VAL 106 0.216 2.570 1.320 826 HG21 VAL 106 3HG2 VAL 106 -1.445 0.208 3.624 827 HG22 VAL 106 1HG2 VAL 106 0.103 -0.123 2.840 828 HG23 VAL 106 2HG2 VAL 106 -1.203 0.656 1.936 829 H ARG 107 H ARG 107 -1.493 2.699 6.122 830 HA ARG 107 HA ARG 107 -1.943 0.069 7.375 831 HB2 ARG 107 2HB ARG 107 -0.779 1.697 8.840 832 HB3 ARG 107 1HB ARG 107 -2.165 2.774 8.627 833 HG2 ARG 107 2HG ARG 107 -2.334 1.723 10.769 834 HG3 ARG 107 1HG ARG 107 -3.583 1.064 9.722 835 HD2 ARG 107 2HD ARG 107 -2.259 -0.920 9.335 836 HD3 ARG 107 1HD ARG 107 -0.928 -0.252 10.281 837 HE ARG 107 HE ARG 107 -3.185 -0.240 11.890 838 HH11 ARG 107 1HH1 ARG 107 -1.144 -2.708 10.339 839 HH12 ARG 107 2HH1 ARG 107 -1.387 -3.876 11.539 840 HH21 ARG 107 1HH2 ARG 107 -3.515 -1.847 13.565 841 HH22 ARG 107 2HH2 ARG 107 -2.746 -3.364 13.438 842 H PHE 108 H PHE 108 -4.005 -0.490 7.436 843 HA PHE 108 HA PHE 108 -6.024 1.455 6.562 844 HB2 PHE 108 2HB PHE 108 -5.885 -1.532 6.115 845 HB3 PHE 108 1HB PHE 108 -7.365 -0.610 5.889 846 HD1 PHE 108 2HD PHE 108 -3.865 -0.935 4.706 847 HD2 PHE 108 1HD PHE 108 -7.775 0.528 3.903 848 HE1 PHE 108 2HE PHE 108 -3.198 -0.420 2.388 849 HE2 PHE 108 1HE PHE 108 -7.114 1.051 1.594 850 HZ PHE 108 HZ PHE 108 -4.820 0.573 0.836 851 H GLU 109 H GLU 109 -7.369 2.044 8.066 852 HA GLU 109 HA GLU 109 -8.241 0.150 10.055 853 HB2 GLU 109 2HB GLU 109 -7.725 1.826 11.903 854 HB3 GLU 109 1HB GLU 109 -6.364 0.949 11.228 855 HG2 GLU 109 2HG GLU 109 -5.841 2.917 9.827 856 HG3 GLU 109 1HG GLU 109 -7.147 3.792 10.623 857 H GLN 110 H GLN 110 -9.812 1.465 11.633 858 HA GLN 110 HA GLN 110 -11.555 3.031 9.844 859 HB2 GLN 110 2HB GLN 110 -13.484 2.003 10.896 860 HB3 GLN 110 1HB GLN 110 -12.441 0.775 10.184 861 HG2 GLN 110 2HG GLN 110 -11.630 0.102 12.276 862 HG3 GLN 110 1HG GLN 110 -12.292 1.517 13.079 863 HE21 GLN 110 1HE2 GLN 110 -13.016 -1.646 11.831 864 HE22 GLN 110 2HE2 GLN 110 -14.608 -1.711 12.479 865 H SER 111 H SER 111 -13.038 4.426 10.965 866 HA SER 111 HA SER 111 -12.783 4.798 13.778 867 HB2 SER 111 2HB SER 111 -12.136 6.951 11.770 868 HB3 SER 111 1HB SER 111 -12.535 7.264 13.458 869 HG SER 111 HG SER 111 -10.573 5.366 12.931 870 H SER 112 H SER 112 -14.867 4.758 14.387 871 HA SER 112 HA SER 112 -17.047 5.173 12.660 872 HB2 SER 112 2HB SER 112 -18.320 5.146 14.855 873 HB3 SER 112 1HB SER 112 -17.295 3.747 14.532 874 HG SER 112 HG SER 112 -17.075 5.740 16.405 875 H ASN 113 H ASN 113 -15.074 7.302 14.421 876 HA ASN 113 HA ASN 113 -16.756 9.490 14.921 877 HB2 ASN 113 2HB ASN 113 -13.797 9.575 14.300 878 HB3 ASN 113 1HB ASN 113 -14.725 10.674 15.306 879 HD21 ASN 113 1HD2 ASN 113 -15.262 10.026 17.407 880 HD22 ASN 113 2HD2 ASN 113 -14.511 8.675 18.174 881 H LEU 114 H LEU 114 -15.128 8.268 12.147 882 HA LEU 114 HA LEU 114 -15.050 10.649 10.612 883 HB2 LEU 114 2HB LEU 114 -13.419 8.871 10.317 884 HB3 LEU 114 1HB LEU 114 -14.674 7.725 9.947 885 HG LEU 114 HG LEU 114 -14.248 10.051 8.093 886 HD11 LEU 114 1HD1 LEU 114 -12.019 9.068 8.548 887 HD12 LEU 114 2HD1 LEU 114 -12.579 8.738 6.909 888 HD13 LEU 114 3HD1 LEU 114 -12.663 7.474 8.139 889 HD21 LEU 114 3HD2 LEU 114 -16.138 8.517 7.770 890 HD22 LEU 114 1HD2 LEU 114 -15.017 7.158 7.708 891 HD23 LEU 114 2HD2 LEU 114 -14.965 8.400 6.457 892 H HIS 115 H HIS 115 -16.372 11.250 8.905 893 HA HIS 115 HA HIS 115 -19.167 10.763 9.419 894 HB2 HIS 115 2HB HIS 115 -18.010 12.986 8.837 895 HB3 HIS 115 1HB HIS 115 -17.903 12.301 7.218 896 HD1 HIS 115 1HD HIS 115 -20.233 14.146 9.451 897 HD2 HIS 115 2HD HIS 115 -20.329 12.147 5.811 898 HE1 HIS 115 1HE HIS 115 -22.319 14.912 8.296 899 H THR 116 H THR 116 -20.609 9.941 7.974 900 HA THR 116 HA THR 116 -19.709 7.724 6.461 901 HB THR 116 HB THR 116 -22.487 8.941 6.519 902 HG1 THR 116 1HG THR 116 -22.696 8.020 8.426 903 HG21 THR 116 3HG2 THR 116 -21.522 6.134 5.951 904 HG22 THR 116 1HG2 THR 116 -22.091 7.285 4.740 905 HG23 THR 116 2HG2 THR 116 -23.206 6.673 5.966 906 H GLY 117 H GLY 117 -19.042 7.723 4.454 907 HA2 GLY 117 2HA GLY 117 -19.389 8.263 2.136 908 HA3 GLY 117 1HA GLY 117 -19.953 9.852 2.645 909 H GLN 118 H GLN 118 -17.639 9.500 4.713 910 HA GLN 118 HA GLN 118 -15.638 10.720 2.982 911 HB2 GLN 118 2HB GLN 118 -16.027 10.723 5.958 912 HB3 GLN 118 1HB GLN 118 -14.531 11.276 5.256 913 HG2 GLN 118 2HG GLN 118 -15.885 12.963 3.979 914 HG3 GLN 118 1HG GLN 118 -17.279 12.456 4.934 915 HE21 GLN 118 1HE2 GLN 118 -17.445 14.542 5.880 916 HE22 GLN 118 2HE2 GLN 118 -16.342 15.041 7.098 917 H PHE 119 H PHE 119 -13.384 10.235 3.544 918 HA PHE 119 HA PHE 119 -12.655 7.926 4.972 919 HB2 PHE 119 2HB PHE 119 -11.691 6.646 3.125 920 HB3 PHE 119 1HB PHE 119 -13.362 6.947 2.718 921 HD1 PHE 119 1HD PHE 119 -13.945 8.598 0.979 922 HD2 PHE 119 2HD PHE 119 -9.912 7.536 1.808 923 HE1 PHE 119 1HE PHE 119 -13.246 9.561 -1.176 924 HE2 PHE 119 2HE PHE 119 -9.211 8.491 -0.337 925 HZ PHE 119 HZ PHE 119 -10.885 9.510 -1.833 926 H ARG 120 H ARG 120 -10.230 8.033 5.118 927 HA ARG 120 HA ARG 120 -9.173 10.380 3.854 928 HB2 ARG 120 2HB ARG 120 -8.249 11.245 5.977 929 HB3 ARG 120 1HB ARG 120 -9.996 11.365 5.843 930 HG2 ARG 120 2HG ARG 120 -10.175 9.318 7.244 931 HG3 ARG 120 1HG ARG 120 -8.424 9.377 7.466 932 HD2 ARG 120 2HD ARG 120 -9.624 10.389 9.346 933 HD3 ARG 120 1HD ARG 120 -8.615 11.568 8.513 934 HE ARG 120 HE ARG 120 -10.761 12.191 7.325 935 HH11 ARG 120 1HH1 ARG 120 -10.720 11.035 10.668 936 HH12 ARG 120 2HH1 ARG 120 -12.139 11.862 11.105 937 HH21 ARG 120 1HH2 ARG 120 -12.699 13.269 7.900 938 HH22 ARG 120 2HH2 ARG 120 -13.299 13.164 9.486 939 H ALA 121 H ALA 121 -7.178 10.128 3.228 940 HA ALA 121 HA ALA 121 -5.582 8.003 4.457 941 HB1 ALA 121 1HB ALA 121 -4.562 7.675 2.228 942 HB2 ALA 121 2HB ALA 121 -5.685 8.856 1.556 943 HB3 ALA 121 3HB ALA 121 -6.292 7.334 2.208 944 H ARG 122 H ARG 122 -3.906 8.854 5.430 945 HA ARG 122 HA ARG 122 -2.925 11.443 4.454 946 HB2 ARG 122 2HB ARG 122 -4.157 11.578 6.605 947 HB3 ARG 122 1HB ARG 122 -2.985 10.482 7.319 948 HG2 ARG 122 2HG ARG 122 -2.516 12.781 7.943 949 HG3 ARG 122 1HG ARG 122 -1.221 12.139 6.930 950 HD2 ARG 122 2HD ARG 122 -2.072 13.281 5.002 951 HD3 ARG 122 1HD ARG 122 -3.507 13.797 5.884 952 HE ARG 122 HE ARG 122 -1.751 14.966 7.342 953 HH11 ARG 122 1HH1 ARG 122 -1.438 14.557 3.813 954 HH12 ARG 122 2HH1 ARG 122 -0.712 16.064 3.573 955 HH21 ARG 122 1HH2 ARG 122 -0.727 17.040 6.981 956 HH22 ARG 122 2HH2 ARG 122 -0.319 17.536 5.413 957 H GLY 123 H GLY 123 -0.906 11.420 3.882 958 HA2 GLY 123 2HA GLY 123 0.785 9.207 4.832 959 HA3 GLY 123 1HA GLY 123 0.925 9.925 3.229 960 H THR 124 H THR 124 2.546 9.703 5.855 961 HA THR 124 HA THR 124 3.540 12.429 5.658 962 HB THR 124 HB THR 124 1.982 12.240 7.619 963 HG1 THR 124 1HG THR 124 3.474 13.774 7.840 964 HG21 THR 124 3HG2 THR 124 2.724 11.001 9.605 965 HG22 THR 124 1HG2 THR 124 4.066 10.324 8.682 966 HG23 THR 124 2HG2 THR 124 2.404 9.915 8.250 967 H VAL 125 H VAL 125 5.708 12.566 6.709 968 HA VAL 125 HA VAL 125 7.262 10.179 6.130 969 HB VAL 125 HB VAL 125 8.198 12.949 6.935 970 HG11 VAL 125 1HG1 VAL 125 9.842 11.224 7.409 971 HG12 VAL 125 2HG1 VAL 125 10.385 12.239 6.072 972 HG13 VAL 125 3HG1 VAL 125 9.727 10.632 5.751 973 HG21 VAL 125 3HG2 VAL 125 8.127 11.755 4.170 974 HG22 VAL 125 1HG2 VAL 125 8.706 13.356 4.604 975 HG23 VAL 125 2HG2 VAL 125 6.990 12.964 4.768 976 H ASN 126 H ASN 126 7.242 8.792 7.839 977 HA ASN 126 HA ASN 126 7.742 9.985 10.449 978 HB2 ASN 126 2HB ASN 126 5.498 8.972 10.394 979 HB3 ASN 126 1HB ASN 126 6.182 7.450 9.840 980 HD21 ASN 126 1HD2 ASN 126 5.196 6.451 11.696 981 HD22 ASN 126 2HD2 ASN 126 5.932 6.590 13.250 982 HA PRO 127 HA PRO 127 11.443 7.570 9.633 983 HB2 PRO 127 2HB PRO 127 12.569 9.114 11.845 984 HB3 PRO 127 1HB PRO 127 13.065 9.075 10.152 985 HG2 PRO 127 2HG PRO 127 11.883 11.233 11.284 986 HG3 PRO 127 1HG PRO 127 11.687 10.822 9.573 987 HD2 PRO 127 2HD PRO 127 9.822 10.365 11.863 988 HD3 PRO 127 1HD PRO 127 9.484 10.872 10.190 989 H ASP 128 H ASP 128 9.685 8.170 12.524 990 HA ASP 128 HA ASP 128 11.132 6.201 14.104 991 HB2 ASP 128 2HB ASP 128 8.934 8.152 14.820 992 HB3 ASP 128 1HB ASP 128 9.623 6.994 15.955 993 H VAL 129 H VAL 129 9.559 5.324 11.863 994 HA VAL 129 HA VAL 129 7.144 4.145 12.755 995 HB VAL 129 HB VAL 129 8.935 3.387 10.397 996 HG11 VAL 129 1HG1 VAL 129 7.648 1.422 11.152 997 HG12 VAL 129 2HG1 VAL 129 7.064 2.012 9.593 998 HG13 VAL 129 3HG1 VAL 129 6.161 2.368 11.065 999 HG21 VAL 129 3HG2 VAL 129 7.831 5.544 10.171 1000 HG22 VAL 129 1HG2 VAL 129 6.272 4.794 10.508 1001 HG23 VAL 129 2HG2 VAL 129 7.156 4.371 9.042 1002 H GLU 130 H GLU 130 7.021 2.739 14.132 1003 HA GLU 130 HA GLU 130 9.164 1.246 15.170 1004 HB2 GLU 130 2HB GLU 130 7.437 -0.083 16.419 1005 HB3 GLU 130 1HB GLU 130 7.376 1.644 16.686 1006 HG2 GLU 130 2HG GLU 130 5.576 0.273 14.718 1007 HG3 GLU 130 1HG GLU 130 5.178 0.384 16.432 1008 H THR 131 H THR 131 9.734 -0.837 14.915 1009 HA THR 131 HA THR 131 8.527 -2.198 12.658 1010 HB THR 131 HB THR 131 10.481 -0.848 11.881 1011 HG1 THR 131 1HG THR 131 10.428 -2.415 10.559 1012 HG21 THR 131 3HG2 THR 131 12.761 -1.516 12.551 1013 HG22 THR 131 1HG2 THR 131 12.070 -2.624 13.736 1014 HG23 THR 131 2HG2 THR 131 11.832 -0.886 13.912 1015 H HIS 132 H HIS 132 9.271 -4.487 12.629 1016 HA HIS 132 HA HIS 132 9.250 -5.518 15.327 1017 HB2 HIS 132 2HB HIS 132 8.969 -6.872 12.636 1018 HB3 HIS 132 1HB HIS 132 8.942 -7.734 14.171 1019 HD1 HIS 132 1HD HIS 132 6.807 -5.691 11.900 1020 HD2 HIS 132 2HD HIS 132 6.620 -7.296 15.726 1021 HE1 HIS 132 1HE HIS 132 4.405 -5.535 12.606 Start of MODEL 24 1 H1 MET 1 1HT MET 1 13.977 12.758 -16.771 2 H2 MET 1 2HT MET 1 12.439 12.861 -17.513 3 H3 MET 1 3HT MET 1 13.098 14.189 -16.759 4 HA MET 1 HA MET 1 14.790 14.434 -18.320 5 HB2 MET 1 2HB MET 1 13.514 12.071 -19.738 6 HB3 MET 1 1HB MET 1 14.801 13.074 -20.379 7 HG2 MET 1 2HG MET 1 14.974 11.273 -17.976 8 HG3 MET 1 1HG MET 1 15.673 10.973 -19.567 9 HE1 MET 1 2HE MET 1 18.054 10.529 -18.507 10 HE2 MET 1 3HE MET 1 17.362 10.764 -16.902 11 HE3 MET 1 1HE MET 1 18.838 11.617 -17.362 12 H GLY 2 H GLY 2 11.766 13.138 -19.747 13 HA2 GLY 2 2HA GLY 2 10.559 15.683 -19.905 14 HA3 GLY 2 1HA GLY 2 11.269 15.208 -21.446 15 H SER 3 H SER 3 8.522 15.095 -19.644 16 HA SER 3 HA SER 3 7.574 12.510 -20.350 17 HB2 SER 3 2HB SER 3 6.082 14.982 -19.453 18 HB3 SER 3 1HB SER 3 5.422 13.347 -19.495 19 HG SER 3 HG SER 3 6.133 13.243 -17.569 20 H GLN 4 H GLN 4 6.459 11.916 -22.122 21 HA GLN 4 HA GLN 4 6.440 13.662 -24.396 22 HB2 GLN 4 2HB GLN 4 5.128 10.953 -24.087 23 HB3 GLN 4 1HB GLN 4 5.533 11.757 -25.599 24 HG2 GLN 4 2HG GLN 4 7.925 11.612 -24.993 25 HG3 GLN 4 1HG GLN 4 7.474 10.737 -23.538 26 HE21 GLN 4 1HE2 GLN 4 7.817 10.604 -26.943 27 HE22 GLN 4 2HE2 GLN 4 7.712 8.889 -27.093 28 H LYS 5 H LYS 5 4.609 14.490 -25.451 29 HA LYS 5 HA LYS 5 2.566 15.286 -23.639 30 HB2 LYS 5 2HB LYS 5 2.906 15.852 -26.593 31 HB3 LYS 5 1HB LYS 5 1.539 16.429 -25.668 32 HG2 LYS 5 2HG LYS 5 3.117 18.224 -25.890 33 HG3 LYS 5 1HG LYS 5 3.132 17.695 -24.214 34 HD2 LYS 5 2HD LYS 5 5.193 16.461 -24.601 35 HD3 LYS 5 1HD LYS 5 5.138 16.879 -26.313 36 HE2 LYS 5 2HE LYS 5 5.370 19.244 -25.750 37 HE3 LYS 5 1HE LYS 5 5.409 18.841 -24.035 38 HZ1 LYS 5 3HZ LYS 5 7.442 17.642 -24.365 39 HZ2 LYS 5 1HZ LYS 5 7.645 19.183 -25.012 40 HZ3 LYS 5 2HZ LYS 5 7.380 17.875 -26.028 41 H ARG 6 H ARG 6 1.649 13.408 -23.026 42 HA ARG 6 HA ARG 6 -0.564 12.438 -24.627 43 HB2 ARG 6 2HB ARG 6 1.620 10.643 -23.529 44 HB3 ARG 6 1HB ARG 6 0.041 10.062 -24.004 45 HG2 ARG 6 2HG ARG 6 2.054 11.347 -25.845 46 HG3 ARG 6 1HG ARG 6 1.779 9.612 -25.687 47 HD2 ARG 6 2HD ARG 6 -0.598 10.016 -26.342 48 HD3 ARG 6 1HD ARG 6 -0.163 11.691 -26.667 49 HE ARG 6 HE ARG 6 1.624 10.158 -28.072 50 HH11 ARG 6 1HH1 ARG 6 -1.894 10.605 -28.070 51 HH12 ARG 6 2HH1 ARG 6 -2.085 10.170 -29.704 52 HH21 ARG 6 1HH2 ARG 6 1.347 9.576 -30.287 53 HH22 ARG 6 2HH2 ARG 6 -0.212 9.560 -30.988 54 H LEU 7 H LEU 7 -1.821 10.896 -23.127 55 HA LEU 7 HA LEU 7 -1.259 11.312 -20.331 56 HB2 LEU 7 2HB LEU 7 -3.530 11.935 -19.735 57 HB3 LEU 7 1HB LEU 7 -2.878 13.117 -20.837 58 HG LEU 7 HG LEU 7 -4.753 10.923 -21.743 59 HD11 LEU 7 1HD1 LEU 7 -6.534 12.580 -21.612 60 HD12 LEU 7 2HD1 LEU 7 -5.417 13.732 -20.877 61 HD13 LEU 7 3HD1 LEU 7 -5.854 12.254 -20.017 62 HD21 LEU 7 3HD2 LEU 7 -4.056 13.606 -22.934 63 HD22 LEU 7 1HD2 LEU 7 -5.158 12.410 -23.615 64 HD23 LEU 7 2HD2 LEU 7 -3.432 12.052 -23.490 65 H VAL 8 H VAL 8 -1.822 9.583 -19.120 66 HA VAL 8 HA VAL 8 -2.789 7.365 -20.653 67 HB VAL 8 HB VAL 8 -2.340 5.962 -18.561 68 HG11 VAL 8 1HG1 VAL 8 -0.042 7.478 -19.780 69 HG12 VAL 8 2HG1 VAL 8 -0.799 6.023 -20.431 70 HG13 VAL 8 3HG1 VAL 8 0.090 5.949 -18.909 71 HG21 VAL 8 3HG2 VAL 8 -0.848 6.907 -16.859 72 HG22 VAL 8 1HG2 VAL 8 -2.374 7.792 -16.906 73 HG23 VAL 8 2HG2 VAL 8 -0.930 8.483 -17.648 74 H GLN 9 H GLN 9 -4.773 7.998 -21.049 75 HA GLN 9 HA GLN 9 -6.575 8.448 -18.882 76 HB2 GLN 9 2HB GLN 9 -8.345 8.665 -20.687 77 HB3 GLN 9 1HB GLN 9 -7.022 9.806 -20.792 78 HG2 GLN 9 2HG GLN 9 -6.015 8.441 -22.578 79 HG3 GLN 9 1HG GLN 9 -7.384 7.337 -22.482 80 HE21 GLN 9 1HE2 GLN 9 -8.019 7.738 -24.583 81 HE22 GLN 9 2HE2 GLN 9 -8.750 9.204 -25.089 82 H ARG 10 H ARG 10 -6.196 6.621 -17.810 83 HA ARG 10 HA ARG 10 -6.586 4.617 -16.972 84 HB2 ARG 10 2HB ARG 10 -9.088 4.726 -18.659 85 HB3 ARG 10 1HB ARG 10 -8.768 3.514 -17.427 86 HG2 ARG 10 2HG ARG 10 -9.037 6.479 -16.983 87 HG3 ARG 10 1HG ARG 10 -10.241 5.248 -16.592 88 HD2 ARG 10 2HD ARG 10 -8.663 4.227 -15.003 89 HD3 ARG 10 1HD ARG 10 -7.482 5.480 -15.395 90 HE ARG 10 HE ARG 10 -10.036 6.439 -14.516 91 HH11 ARG 10 1HH1 ARG 10 -6.802 5.483 -13.488 92 HH12 ARG 10 2HH1 ARG 10 -6.810 6.394 -12.054 93 HH21 ARG 10 1HH2 ARG 10 -10.091 7.675 -12.606 94 HH22 ARG 10 2HH2 ARG 10 -8.793 7.705 -11.504 95 H VAL 11 H VAL 11 -4.675 4.280 -18.328 96 HA VAL 11 HA VAL 11 -5.122 1.855 -19.889 97 HB VAL 11 HB VAL 11 -3.057 3.978 -20.611 98 HG11 VAL 11 1HG1 VAL 11 -3.766 1.398 -22.002 99 HG12 VAL 11 2HG1 VAL 11 -2.287 1.727 -21.099 100 HG13 VAL 11 3HG1 VAL 11 -2.621 2.599 -22.596 101 HG21 VAL 11 3HG2 VAL 11 -5.292 4.739 -21.249 102 HG22 VAL 11 1HG2 VAL 11 -5.577 3.220 -22.098 103 HG23 VAL 11 2HG2 VAL 11 -4.342 4.335 -22.680 104 H GLU 12 H GLU 12 -4.576 0.655 -18.093 105 HA GLU 12 HA GLU 12 -2.115 1.219 -16.753 106 HB2 GLU 12 2HB GLU 12 -3.997 -1.130 -16.453 107 HB3 GLU 12 1HB GLU 12 -2.588 -0.843 -15.444 108 HG2 GLU 12 2HG GLU 12 -5.025 0.917 -15.665 109 HG3 GLU 12 1HG GLU 12 -4.581 -0.107 -14.299 110 H ARG 13 H ARG 13 -0.525 1.043 -17.993 111 HA ARG 13 HA ARG 13 -0.104 -0.775 -20.040 112 HB2 ARG 13 2HB ARG 13 2.351 -0.158 -19.796 113 HB3 ARG 13 1HB ARG 13 1.219 1.138 -20.132 114 HG2 ARG 13 2HG ARG 13 1.239 1.753 -17.752 115 HG3 ARG 13 1HG ARG 13 2.412 0.469 -17.448 116 HD2 ARG 13 2HD ARG 13 3.414 2.741 -17.713 117 HD3 ARG 13 1HD ARG 13 4.027 1.528 -18.835 118 HE ARG 13 HE ARG 13 2.703 2.502 -20.557 119 HH11 ARG 13 1HH1 ARG 13 2.824 4.521 -17.624 120 HH12 ARG 13 2HH1 ARG 13 2.590 5.966 -18.489 121 HH21 ARG 13 1HH2 ARG 13 2.388 4.494 -21.689 122 HH22 ARG 13 2HH2 ARG 13 2.339 5.973 -20.806 123 H LYS 14 H LYS 14 0.873 -1.101 -16.626 124 HA LYS 14 HA LYS 14 1.864 -3.731 -17.356 125 HB2 LYS 14 2HB LYS 14 2.004 -2.340 -14.669 126 HB3 LYS 14 1HB LYS 14 2.728 -3.887 -15.058 127 HG2 LYS 14 2HG LYS 14 3.486 -1.249 -16.303 128 HG3 LYS 14 1HG LYS 14 4.367 -2.094 -15.029 129 HD2 LYS 14 2HD LYS 14 4.798 -3.957 -16.543 130 HD3 LYS 14 1HD LYS 14 3.867 -3.155 -17.807 131 HE2 LYS 14 2HE LYS 14 6.280 -2.835 -18.134 132 HE3 LYS 14 1HE LYS 14 5.445 -1.313 -17.849 133 HZ1 LYS 14 3HZ LYS 14 6.225 -1.334 -15.573 134 HZ2 LYS 14 1HZ LYS 14 7.535 -1.474 -16.610 135 HZ3 LYS 14 2HZ LYS 14 6.948 -2.815 -15.761 136 H LEU 15 H LEU 15 -0.258 -4.309 -17.932 137 HA LEU 15 HA LEU 15 -1.865 -5.065 -15.614 138 HB2 LEU 15 2HB LEU 15 -2.981 -3.497 -17.187 139 HB3 LEU 15 1HB LEU 15 -2.749 -4.654 -18.477 140 HG LEU 15 HG LEU 15 -4.243 -6.235 -17.308 141 HD11 LEU 15 1HD1 LEU 15 -5.597 -5.447 -15.424 142 HD12 LEU 15 2HD1 LEU 15 -4.636 -3.969 -15.357 143 HD13 LEU 15 3HD1 LEU 15 -3.886 -5.530 -15.016 144 HD21 LEU 15 3HD2 LEU 15 -5.423 -3.497 -17.769 145 HD22 LEU 15 1HD2 LEU 15 -6.325 -5.012 -17.718 146 HD23 LEU 15 2HD2 LEU 15 -5.146 -4.727 -19.000 147 H GLU 16 H GLU 16 -1.273 -7.034 -15.162 148 HA GLU 16 HA GLU 16 -1.467 -9.025 -17.210 149 HB2 GLU 16 2HB GLU 16 0.715 -10.069 -16.486 150 HB3 GLU 16 1HB GLU 16 0.880 -8.539 -17.322 151 HG2 GLU 16 2HG GLU 16 1.129 -7.448 -15.081 152 HG3 GLU 16 1HG GLU 16 1.178 -9.071 -14.386 153 H GLN 17 H GLN 17 -0.459 -11.117 -15.507 154 HA GLN 17 HA GLN 17 -2.794 -11.938 -14.349 155 HB2 GLN 17 2HB GLN 17 -1.564 -13.782 -13.338 156 HB3 GLN 17 1HB GLN 17 -0.963 -13.472 -14.955 157 HG2 GLN 17 2HG GLN 17 0.398 -12.616 -12.392 158 HG3 GLN 17 1HG GLN 17 0.823 -14.030 -13.351 159 HE21 GLN 17 1HE2 GLN 17 2.343 -11.621 -12.588 160 HE22 GLN 17 2HE2 GLN 17 2.866 -10.919 -14.079 161 H THR 18 H THR 18 -3.904 -11.275 -12.731 162 HA THR 18 HA THR 18 -3.089 -11.262 -10.122 163 HB THR 18 HB THR 18 -1.974 -9.080 -10.677 164 HG1 THR 18 1HG THR 18 -2.967 -7.864 -9.012 165 HG21 THR 18 3HG2 THR 18 -3.345 -7.088 -11.223 166 HG22 THR 18 1HG2 THR 18 -4.773 -8.116 -11.351 167 HG23 THR 18 2HG2 THR 18 -3.442 -8.309 -12.491 168 H VAL 19 H VAL 19 -4.970 -11.128 -8.820 169 HA VAL 19 HA VAL 19 -7.389 -10.958 -10.437 170 HB VAL 19 HB VAL 19 -6.945 -12.871 -8.128 171 HG11 VAL 19 1HG1 VAL 19 -9.154 -13.763 -8.685 172 HG12 VAL 19 2HG1 VAL 19 -9.358 -12.496 -9.895 173 HG13 VAL 19 3HG1 VAL 19 -9.245 -12.073 -8.189 174 HG21 VAL 19 3HG2 VAL 19 -7.133 -14.609 -9.827 175 HG22 VAL 19 1HG2 VAL 19 -5.782 -13.532 -10.173 176 HG23 VAL 19 2HG2 VAL 19 -7.283 -13.379 -11.083 177 H GLY 20 H GLY 20 -8.325 -9.157 -9.994 178 HA2 GLY 20 2HA GLY 20 -8.660 -8.396 -7.169 179 HA3 GLY 20 1HA GLY 20 -8.633 -7.248 -8.510 180 H ASP 21 H ASP 21 -10.105 -10.275 -8.897 181 HA ASP 21 HA ASP 21 -12.498 -9.171 -9.898 182 HB2 ASP 21 2HB ASP 21 -11.579 -11.328 -10.672 183 HB3 ASP 21 1HB ASP 21 -11.955 -12.032 -9.104 184 H ALA 22 H ALA 22 -11.693 -10.667 -6.898 185 HA ALA 22 HA ALA 22 -14.350 -10.790 -5.902 186 HB1 ALA 22 1HB ALA 22 -11.801 -10.737 -4.280 187 HB2 ALA 22 2HB ALA 22 -12.535 -12.184 -4.965 188 HB3 ALA 22 3HB ALA 22 -13.386 -11.271 -3.717 189 H PHE 23 H PHE 23 -11.847 -8.435 -5.685 190 HA PHE 23 HA PHE 23 -13.109 -6.652 -3.890 191 HB2 PHE 23 2HB PHE 23 -11.118 -6.258 -6.074 192 HB3 PHE 23 1HB PHE 23 -11.553 -4.947 -4.960 193 HD1 PHE 23 2HD PHE 23 -10.861 -5.110 -2.597 194 HD2 PHE 23 1HD PHE 23 -9.689 -8.041 -5.442 195 HE1 PHE 23 2HE PHE 23 -9.134 -5.921 -1.043 196 HE2 PHE 23 1HE PHE 23 -7.956 -8.859 -3.898 197 HZ PHE 23 HZ PHE 23 -7.677 -7.802 -1.696 198 H ALA 24 H ALA 24 -13.141 -6.990 -7.394 199 HA ALA 24 HA ALA 24 -14.777 -4.755 -7.938 200 HB1 ALA 24 1HB ALA 24 -15.081 -5.750 -10.154 201 HB2 ALA 24 2HB ALA 24 -14.412 -7.271 -9.571 202 HB3 ALA 24 3HB ALA 24 -13.391 -5.837 -9.660 203 H ARG 25 H ARG 25 -15.472 -8.085 -7.122 204 HA ARG 25 HA ARG 25 -18.266 -7.925 -7.616 205 HB2 ARG 25 2HB ARG 25 -16.688 -9.793 -5.857 206 HB3 ARG 25 1HB ARG 25 -18.383 -10.002 -6.247 207 HG2 ARG 25 2HG ARG 25 -16.091 -10.072 -8.208 208 HG3 ARG 25 1HG ARG 25 -16.959 -11.470 -7.576 209 HD2 ARG 25 2HD ARG 25 -18.120 -9.267 -9.282 210 HD3 ARG 25 1HD ARG 25 -17.743 -10.902 -9.816 211 HE ARG 25 HE ARG 25 -19.561 -10.693 -7.593 212 HH11 ARG 25 1HH1 ARG 25 -19.321 -10.981 -11.126 213 HH12 ARG 25 2HH1 ARG 25 -20.930 -11.522 -11.293 214 HH21 ARG 25 1HH2 ARG 25 -21.743 -11.410 -7.880 215 HH22 ARG 25 2HH2 ARG 25 -22.325 -11.772 -9.441 216 H ILE 26 H ILE 26 -16.234 -7.062 -4.948 217 HA ILE 26 HA ILE 26 -18.464 -6.873 -3.139 218 HB ILE 26 HB ILE 26 -15.537 -6.215 -2.718 219 HG12 ILE 26 2HG1 ILE 26 -17.248 -8.467 -1.635 220 HG13 ILE 26 1HG1 ILE 26 -16.123 -8.621 -2.976 221 HG21 ILE 26 1HG2 ILE 26 -16.063 -5.997 -0.324 222 HG22 ILE 26 2HG2 ILE 26 -17.781 -6.180 -0.688 223 HG23 ILE 26 3HG2 ILE 26 -16.901 -4.774 -1.280 224 HD11 ILE 26 3HD1 ILE 26 -15.183 -9.503 -0.919 225 HD12 ILE 26 1HD1 ILE 26 -15.409 -7.940 -0.131 226 HD13 ILE 26 2HD1 ILE 26 -14.271 -8.093 -1.467 227 H PHE 27 H PHE 27 -16.184 -4.556 -4.606 228 HA PHE 27 HA PHE 27 -17.911 -2.416 -3.582 229 HB2 PHE 27 2HB PHE 27 -15.086 -2.296 -4.608 230 HB3 PHE 27 1HB PHE 27 -16.023 -0.896 -4.089 231 HD1 PHE 27 1HD PHE 27 -16.895 -0.883 -1.730 232 HD2 PHE 27 2HD PHE 27 -13.875 -3.548 -3.068 233 HE1 PHE 27 1HE PHE 27 -16.187 -1.247 0.612 234 HE2 PHE 27 2HE PHE 27 -13.153 -3.917 -0.743 235 HZ PHE 27 HZ PHE 27 -14.319 -2.768 1.098 236 H GLY 28 H GLY 28 -16.801 -3.811 -6.546 237 HA2 GLY 28 2HA GLY 28 -17.317 -3.461 -8.695 238 HA3 GLY 28 1HA GLY 28 -18.767 -2.651 -8.118 239 H GLY 29 H GLY 29 -18.882 -0.645 -8.232 240 HA2 GLY 29 2HA GLY 29 -16.564 0.938 -9.163 241 HA3 GLY 29 1HA GLY 29 -18.163 1.158 -9.858 242 H SER 30 H SER 30 -18.271 0.502 -6.529 243 HA SER 30 HA SER 30 -19.211 3.118 -5.933 244 HB2 SER 30 2HB SER 30 -18.421 0.892 -4.030 245 HB3 SER 30 1HB SER 30 -19.509 2.242 -3.688 246 HG SER 30 HG SER 30 -20.034 -0.136 -4.875 247 H ILE 31 H ILE 31 -16.249 1.342 -5.572 248 HA ILE 31 HA ILE 31 -14.673 3.648 -5.496 249 HB ILE 31 HB ILE 31 -15.201 3.607 -3.080 250 HG12 ILE 31 2HG1 ILE 31 -12.899 3.321 -2.112 251 HG13 ILE 31 1HG1 ILE 31 -12.390 2.642 -3.652 252 HG21 ILE 31 1HG2 ILE 31 -14.214 0.773 -3.057 253 HG22 ILE 31 2HG2 ILE 31 -15.867 1.326 -2.785 254 HG23 ILE 31 3HG2 ILE 31 -14.599 1.732 -1.629 255 HD11 ILE 31 3HD1 ILE 31 -11.753 4.975 -3.452 256 HD12 ILE 31 1HD1 ILE 31 -13.439 5.429 -3.213 257 HD13 ILE 31 2HD1 ILE 31 -12.916 4.756 -4.758 258 H VAL 32 H VAL 32 -12.764 3.105 -6.411 259 HA VAL 32 HA VAL 32 -12.286 0.235 -6.768 260 HB VAL 32 HB VAL 32 -11.291 0.736 -9.002 261 HG11 VAL 32 1HG1 VAL 32 -13.389 1.146 -10.197 262 HG12 VAL 32 2HG1 VAL 32 -14.148 1.633 -8.678 263 HG13 VAL 32 3HG1 VAL 32 -13.585 -0.023 -8.892 264 HG21 VAL 32 3HG2 VAL 32 -12.401 3.506 -8.561 265 HG22 VAL 32 1HG2 VAL 32 -11.712 2.909 -10.072 266 HG23 VAL 32 2HG2 VAL 32 -10.694 3.075 -8.641 267 HA PRO 33 HA PRO 33 -8.221 0.620 -5.062 268 HB2 PRO 33 2HB PRO 33 -6.745 -0.783 -6.967 269 HB3 PRO 33 1HB PRO 33 -7.617 -1.520 -5.621 270 HG2 PRO 33 2HG PRO 33 -8.460 -1.183 -8.470 271 HG3 PRO 33 1HG PRO 33 -8.689 -2.577 -7.398 272 HD2 PRO 33 2HD PRO 33 -10.706 -0.927 -7.902 273 HD3 PRO 33 1HD PRO 33 -10.455 -1.559 -6.260 274 H GLN 34 H GLN 34 -8.755 1.399 -8.379 275 HA GLN 34 HA GLN 34 -6.356 2.699 -9.014 276 HB2 GLN 34 2HB GLN 34 -9.104 3.328 -10.104 277 HB3 GLN 34 1HB GLN 34 -7.571 3.706 -10.865 278 HG2 GLN 34 2HG GLN 34 -8.609 0.926 -10.342 279 HG3 GLN 34 1HG GLN 34 -8.684 1.779 -11.881 280 HE21 GLN 34 1HE2 GLN 34 -7.510 0.172 -12.881 281 HE22 GLN 34 2HE2 GLN 34 -5.817 -0.063 -12.620 282 H GLU 35 H GLU 35 -9.251 3.808 -7.354 283 HA GLU 35 HA GLU 35 -8.385 6.548 -7.332 284 HB2 GLU 35 2HB GLU 35 -10.561 5.165 -5.759 285 HB3 GLU 35 1HB GLU 35 -10.268 6.897 -5.763 286 HG2 GLU 35 2HG GLU 35 -10.726 6.930 -8.181 287 HG3 GLU 35 1HG GLU 35 -11.110 5.211 -8.099 288 H VAL 36 H VAL 36 -8.163 3.748 -5.316 289 HA VAL 36 HA VAL 36 -7.343 5.055 -2.956 290 HB VAL 36 HB VAL 36 -6.642 2.231 -3.834 291 HG11 VAL 36 1HG1 VAL 36 -6.702 3.468 -1.077 292 HG12 VAL 36 2HG1 VAL 36 -5.257 3.018 -1.982 293 HG13 VAL 36 3HG1 VAL 36 -6.380 1.770 -1.438 294 HG21 VAL 36 3HG2 VAL 36 -9.060 2.578 -3.842 295 HG22 VAL 36 1HG2 VAL 36 -8.983 3.207 -2.197 296 HG23 VAL 36 2HG2 VAL 36 -8.587 1.519 -2.513 297 H GLU 37 H GLU 37 -5.456 3.492 -5.593 298 HA GLU 37 HA GLU 37 -2.997 4.336 -4.501 299 HB2 GLU 37 2HB GLU 37 -1.922 3.783 -6.598 300 HB3 GLU 37 1HB GLU 37 -3.073 2.526 -6.211 301 HG2 GLU 37 2HG GLU 37 -4.526 3.162 -7.913 302 HG3 GLU 37 1HG GLU 37 -3.808 4.767 -8.050 303 H ALA 38 H ALA 38 -5.322 5.881 -6.564 304 HA ALA 38 HA ALA 38 -3.749 7.951 -7.595 305 HB1 ALA 38 1HB ALA 38 -6.666 8.123 -6.847 306 HB2 ALA 38 2HB ALA 38 -6.056 7.439 -8.346 307 HB3 ALA 38 3HB ALA 38 -5.804 9.151 -7.995 308 H LEU 39 H LEU 39 -5.812 7.918 -4.708 309 HA LEU 39 HA LEU 39 -5.009 10.432 -3.789 310 HB2 LEU 39 2HB LEU 39 -6.272 8.076 -2.437 311 HB3 LEU 39 1HB LEU 39 -5.686 9.399 -1.460 312 HG LEU 39 HG LEU 39 -8.083 9.587 -1.810 313 HD11 LEU 39 1HD1 LEU 39 -8.217 11.854 -2.642 314 HD12 LEU 39 2HD1 LEU 39 -6.588 11.719 -3.303 315 HD13 LEU 39 3HD1 LEU 39 -6.845 11.630 -1.559 316 HD21 LEU 39 3HD2 LEU 39 -8.308 8.451 -3.957 317 HD22 LEU 39 1HD2 LEU 39 -7.461 9.778 -4.754 318 HD23 LEU 39 2HD2 LEU 39 -9.038 10.055 -4.017 319 H LEU 40 H LEU 40 -3.643 7.249 -3.215 320 HA LEU 40 HA LEU 40 -1.768 8.101 -1.279 321 HB2 LEU 40 2HB LEU 40 -1.655 5.700 -3.102 322 HB3 LEU 40 1HB LEU 40 -0.594 5.971 -1.731 323 HG LEU 40 HG LEU 40 -3.563 5.488 -1.661 324 HD11 LEU 40 1HD1 LEU 40 -2.265 3.497 -2.079 325 HD12 LEU 40 2HD1 LEU 40 -2.946 3.461 -0.451 326 HD13 LEU 40 3HD1 LEU 40 -1.239 3.848 -0.689 327 HD21 LEU 40 3HD2 LEU 40 -1.675 5.999 0.639 328 HD22 LEU 40 1HD2 LEU 40 -3.375 5.549 0.764 329 HD23 LEU 40 2HD2 LEU 40 -2.935 7.104 0.072 330 H ARG 41 H ARG 41 -1.401 7.669 -4.787 331 HA ARG 41 HA ARG 41 1.333 8.486 -4.710 332 HB2 ARG 41 2HB ARG 41 1.264 8.467 -7.175 333 HB3 ARG 41 1HB ARG 41 0.556 7.006 -6.514 334 HG2 ARG 41 2HG ARG 41 -1.689 8.120 -6.840 335 HG3 ARG 41 1HG ARG 41 -0.836 9.334 -7.805 336 HD2 ARG 41 2HD ARG 41 -0.895 6.357 -8.317 337 HD3 ARG 41 1HD ARG 41 -1.826 7.564 -9.195 338 HE ARG 41 HE ARG 41 0.890 8.224 -9.355 339 HH11 ARG 41 1HH1 ARG 41 -1.235 5.579 -10.469 340 HH12 ARG 41 2HH1 ARG 41 -0.438 5.391 -11.943 341 HH21 ARG 41 1HH2 ARG 41 2.050 7.866 -11.354 342 HH22 ARG 41 2HH2 ARG 41 1.543 6.672 -12.440 343 H ARG 42 H ARG 42 -1.684 10.123 -5.041 344 HA ARG 42 HA ARG 42 -0.609 12.636 -5.719 345 HB2 ARG 42 2HB ARG 42 -2.912 12.497 -6.121 346 HB3 ARG 42 1HB ARG 42 -3.231 11.684 -4.606 347 HG2 ARG 42 2HG ARG 42 -2.328 14.512 -4.482 348 HG3 ARG 42 1HG ARG 42 -3.964 14.194 -5.067 349 HD2 ARG 42 2HD ARG 42 -4.491 12.981 -3.035 350 HD3 ARG 42 1HD ARG 42 -2.831 13.130 -2.474 351 HE ARG 42 HE ARG 42 -3.368 15.623 -2.614 352 HH11 ARG 42 1HH1 ARG 42 -5.743 13.176 -1.674 353 HH12 ARG 42 2HH1 ARG 42 -6.513 14.135 -0.496 354 HH21 ARG 42 1HH2 ARG 42 -4.379 16.923 -0.945 355 HH22 ARG 42 2HH2 ARG 42 -5.706 16.320 -0.083 356 H GLU 43 H GLU 43 -1.364 11.112 -2.609 357 HA GLU 43 HA GLU 43 -0.509 13.217 -0.976 358 HB2 GLU 43 2HB GLU 43 -0.823 10.270 -0.558 359 HB3 GLU 43 1HB GLU 43 -0.089 11.265 0.686 360 HG2 GLU 43 2HG GLU 43 -2.822 11.735 -0.480 361 HG3 GLU 43 1HG GLU 43 -2.497 10.875 1.029 362 H ALA 44 H ALA 44 1.213 10.610 -2.509 363 HA ALA 44 HA ALA 44 3.664 10.905 -1.249 364 HB1 ALA 44 1HB ALA 44 3.107 9.013 -2.674 365 HB2 ALA 44 2HB ALA 44 4.613 9.778 -3.192 366 HB3 ALA 44 3HB ALA 44 3.117 10.075 -4.085 367 H ALA 45 H ALA 45 2.386 12.454 -4.165 368 HA ALA 45 HA ALA 45 4.744 14.026 -4.609 369 HB1 ALA 45 1HB ALA 45 3.303 13.322 -6.461 370 HB2 ALA 45 2HB ALA 45 3.454 15.077 -6.397 371 HB3 ALA 45 3HB ALA 45 1.988 14.296 -5.808 372 H ASP 46 H ASP 46 1.754 14.426 -2.940 373 HA ASP 46 HA ASP 46 1.850 17.264 -2.687 374 HB2 ASP 46 2HB ASP 46 -0.245 15.935 -2.550 375 HB3 ASP 46 1HB ASP 46 0.319 15.255 -1.029 376 H GLY 47 H GLY 47 2.891 14.552 -0.708 377 HA2 GLY 47 2HA GLY 47 3.598 16.306 1.499 378 HA3 GLY 47 1HA GLY 47 3.711 14.553 1.472 379 H ILE 48 H ILE 48 5.050 15.999 -1.244 380 HA ILE 48 HA ILE 48 7.650 15.118 -0.782 381 HB ILE 48 HB ILE 48 6.414 16.995 -2.762 382 HG12 ILE 48 2HG1 ILE 48 6.050 14.613 -3.066 383 HG13 ILE 48 1HG1 ILE 48 7.007 15.276 -4.388 384 HG21 ILE 48 1HG2 ILE 48 8.490 17.196 -3.991 385 HG22 ILE 48 2HG2 ILE 48 9.337 16.370 -2.668 386 HG23 ILE 48 3HG2 ILE 48 8.590 17.939 -2.386 387 HD11 ILE 48 3HD1 ILE 48 8.021 13.624 -2.073 388 HD12 ILE 48 1HD1 ILE 48 9.031 14.354 -3.323 389 HD13 ILE 48 2HD1 ILE 48 7.851 13.125 -3.753 390 H GLN 49 H GLN 49 9.279 15.895 0.278 391 HA GLN 49 HA GLN 49 9.180 18.670 1.213 392 HB2 GLN 49 2HB GLN 49 10.507 16.239 2.379 393 HB3 GLN 49 1HB GLN 49 10.904 17.873 2.888 394 HG2 GLN 49 2HG GLN 49 8.661 18.239 3.568 395 HG3 GLN 49 1HG GLN 49 8.176 16.632 3.019 396 HE21 GLN 49 1HE2 GLN 49 7.543 15.990 5.068 397 HE22 GLN 49 2HE2 GLN 49 8.670 15.666 6.342 398 H SER 50 H SER 50 10.936 19.924 1.023 399 HA SER 50 HA SER 50 12.683 19.266 -1.159 400 HB2 SER 50 2HB SER 50 12.582 21.741 0.589 401 HB3 SER 50 1HB SER 50 13.441 21.579 -0.944 402 HG SER 50 HG SER 50 11.264 22.568 -0.938 403 H LEU 51 H LEU 51 14.198 17.902 -0.703 404 HA LEU 51 HA LEU 51 15.741 18.174 1.776 405 HB2 LEU 51 2HB LEU 51 14.329 16.035 1.203 406 HB3 LEU 51 1HB LEU 51 15.618 15.694 0.071 407 HG LEU 51 HG LEU 51 17.230 15.722 2.051 408 HD11 LEU 51 1HD1 LEU 51 15.900 17.032 3.581 409 HD12 LEU 51 2HD1 LEU 51 16.308 15.450 4.251 410 HD13 LEU 51 3HD1 LEU 51 14.688 15.746 3.622 411 HD21 LEU 51 3HD2 LEU 51 14.980 13.745 2.110 412 HD22 LEU 51 1HD2 LEU 51 16.572 13.514 2.831 413 HD23 LEU 51 2HD2 LEU 51 16.411 13.646 1.079 414 H GLN 52 H GLN 52 17.908 16.612 0.922 415 HA GLN 52 HA GLN 52 19.594 18.317 -0.371 416 HB2 GLN 52 2HB GLN 52 19.674 15.311 -0.281 417 HB3 GLN 52 1HB GLN 52 21.016 16.329 -0.787 418 HG2 GLN 52 2HG GLN 52 19.711 16.317 1.910 419 HG3 GLN 52 1HG GLN 52 21.289 15.629 1.477 420 HE21 GLN 52 1HE2 GLN 52 20.505 17.762 3.383 421 HE22 GLN 52 2HE2 GLN 52 21.464 19.124 2.941 422 H GLY 53 H GLY 53 20.677 18.068 -2.380 423 HA2 GLY 53 2HA GLY 53 18.743 18.367 -4.505 424 HA3 GLY 53 1HA GLY 53 20.471 18.655 -4.618 425 H ASN 54 H ASN 54 20.024 15.694 -3.367 426 HA ASN 54 HA ASN 54 20.634 14.357 -5.817 427 HB2 ASN 54 2HB ASN 54 21.703 13.612 -3.763 428 HB3 ASN 54 1HB ASN 54 20.136 13.307 -3.028 429 HD21 ASN 54 1HD2 ASN 54 22.464 12.201 -5.377 430 HD22 ASN 54 2HD2 ASN 54 21.820 10.613 -5.555 431 H ARG 55 H ARG 55 17.851 14.548 -3.586 432 HA ARG 55 HA ARG 55 15.936 14.342 -5.514 433 HB2 ARG 55 2HB ARG 55 14.963 12.056 -4.982 434 HB3 ARG 55 1HB ARG 55 16.407 12.082 -5.976 435 HG2 ARG 55 2HG ARG 55 17.730 11.581 -3.979 436 HG3 ARG 55 1HG ARG 55 16.239 11.429 -3.056 437 HD2 ARG 55 2HD ARG 55 15.463 9.617 -4.428 438 HD3 ARG 55 1HD ARG 55 16.814 9.823 -5.541 439 HE ARG 55 HE ARG 55 18.164 9.303 -3.413 440 HH11 ARG 55 1HH1 ARG 55 15.038 7.755 -4.232 441 HH12 ARG 55 2HH1 ARG 55 15.507 6.238 -3.626 442 HH21 ARG 55 1HH2 ARG 55 18.730 7.165 -2.561 443 HH22 ARG 55 2HH2 ARG 55 17.588 5.898 -2.664 444 H LEU 56 H LEU 56 13.754 13.835 -4.607 445 HA LEU 56 HA LEU 56 13.471 15.506 -2.227 446 HB2 LEU 56 2HB LEU 56 11.479 14.544 -4.267 447 HB3 LEU 56 1HB LEU 56 11.176 15.691 -2.973 448 HG LEU 56 HG LEU 56 13.134 16.171 -5.223 449 HD11 LEU 56 1HD1 LEU 56 11.484 17.695 -6.137 450 HD12 LEU 56 2HD1 LEU 56 10.343 17.236 -4.873 451 HD13 LEU 56 3HD1 LEU 56 10.851 16.049 -6.078 452 HD21 LEU 56 3HD2 LEU 56 13.038 18.503 -4.430 453 HD22 LEU 56 1HD2 LEU 56 13.672 17.404 -3.202 454 HD23 LEU 56 2HD2 LEU 56 12.012 17.981 -3.091 455 H LEU 57 H LEU 57 12.059 15.040 -0.593 456 HA LEU 57 HA LEU 57 12.121 12.215 0.137 457 HB2 LEU 57 2HB LEU 57 13.064 14.209 1.533 458 HB3 LEU 57 1HB LEU 57 11.395 14.565 1.876 459 HG LEU 57 HG LEU 57 12.502 13.412 3.728 460 HD11 LEU 57 1HD1 LEU 57 10.352 11.738 2.477 461 HD12 LEU 57 2HD1 LEU 57 10.128 13.128 3.539 462 HD13 LEU 57 3HD1 LEU 57 10.887 11.660 4.156 463 HD21 LEU 57 3HD2 LEU 57 13.074 11.015 3.507 464 HD22 LEU 57 1HD2 LEU 57 14.118 12.081 2.570 465 HD23 LEU 57 2HD2 LEU 57 12.855 11.167 1.763 466 H ALA 58 H ALA 58 10.307 11.081 0.074 467 HA ALA 58 HA ALA 58 7.725 12.441 -0.198 468 HB1 ALA 58 1HB ALA 58 8.404 11.148 -2.170 469 HB2 ALA 58 2HB ALA 58 7.009 10.403 -1.393 470 HB3 ALA 58 3HB ALA 58 8.617 9.713 -1.164 471 HA PRO 59 HA PRO 59 6.087 10.632 3.593 472 HB2 PRO 59 2HB PRO 59 3.995 9.467 1.826 473 HB3 PRO 59 1HB PRO 59 3.816 10.388 3.324 474 HG2 PRO 59 2HG PRO 59 3.348 11.557 1.004 475 HG3 PRO 59 1HG PRO 59 4.225 12.419 2.279 476 HD2 PRO 59 2HD PRO 59 5.285 11.167 -0.218 477 HD3 PRO 59 1HD PRO 59 5.790 12.648 0.618 478 H ASN 60 H ASN 60 5.967 8.780 4.729 479 HA ASN 60 HA ASN 60 6.604 6.293 3.308 480 HB2 ASN 60 2HB ASN 60 7.927 5.566 5.229 481 HB3 ASN 60 1HB ASN 60 8.590 7.030 4.532 482 HD21 ASN 60 1HD2 ASN 60 8.896 5.904 7.201 483 HD22 ASN 60 2HD2 ASN 60 8.412 7.128 8.312 484 H GLU 61 H GLU 61 4.871 7.840 5.928 485 HA GLU 61 HA GLU 61 3.588 5.322 6.572 486 HB2 GLU 61 2HB GLU 61 4.468 6.518 8.483 487 HB3 GLU 61 1HB GLU 61 3.645 7.994 7.997 488 HG2 GLU 61 2HG GLU 61 1.501 6.968 8.430 489 HG3 GLU 61 1HG GLU 61 2.304 5.447 8.836 490 H TYR 62 H TYR 62 2.047 4.983 5.106 491 HA TYR 62 HA TYR 62 0.281 7.201 4.425 492 HB2 TYR 62 2HB TYR 62 0.632 4.473 3.181 493 HB3 TYR 62 1HB TYR 62 -0.616 5.615 2.677 494 HD1 TYR 62 2HD TYR 62 3.044 5.100 2.911 495 HD2 TYR 62 1HD TYR 62 -0.088 7.431 1.232 496 HE1 TYR 62 2HE TYR 62 4.669 6.221 1.468 497 HE2 TYR 62 1HE TYR 62 1.530 8.566 -0.221 498 HH TYR 62 HH TYR 62 4.812 7.498 -0.494 499 H ILE 63 H ILE 63 -1.402 7.479 5.515 500 HA ILE 63 HA ILE 63 -2.500 5.298 7.147 501 HB ILE 63 HB ILE 63 -2.806 8.299 7.472 502 HG12 ILE 63 2HG1 ILE 63 -0.965 6.428 8.977 503 HG13 ILE 63 1HG1 ILE 63 -0.455 7.571 7.740 504 HG21 ILE 63 1HG2 ILE 63 -3.591 7.743 9.719 505 HG22 ILE 63 2HG2 ILE 63 -3.395 6.030 9.371 506 HG23 ILE 63 3HG2 ILE 63 -4.598 6.969 8.494 507 HD11 ILE 63 3HD1 ILE 63 -1.183 9.419 9.125 508 HD12 ILE 63 1HD1 ILE 63 -0.039 8.398 9.996 509 HD13 ILE 63 2HD1 ILE 63 -1.767 8.289 10.345 510 H ILE 64 H ILE 64 -4.363 4.498 6.296 511 HA ILE 64 HA ILE 64 -6.138 6.414 5.006 512 HB ILE 64 HB ILE 64 -6.007 3.438 4.392 513 HG12 ILE 64 2HG1 ILE 64 -5.415 4.279 2.025 514 HG13 ILE 64 1HG1 ILE 64 -5.017 5.810 2.789 515 HG21 ILE 64 1HG2 ILE 64 -8.210 4.330 4.282 516 HG22 ILE 64 2HG2 ILE 64 -7.648 3.947 2.646 517 HG23 ILE 64 3HG2 ILE 64 -7.697 5.627 3.205 518 HD11 ILE 64 3HD1 ILE 64 -3.724 3.155 3.358 519 HD12 ILE 64 1HD1 ILE 64 -3.312 4.682 4.131 520 HD13 ILE 64 2HD1 ILE 64 -3.024 4.461 2.406 521 H THR 65 H THR 65 -7.497 6.898 6.450 522 HA THR 65 HA THR 65 -8.342 4.956 8.434 523 HB THR 65 HB THR 65 -8.857 7.924 8.256 524 HG1 THR 65 1HG THR 65 -6.688 6.367 9.151 525 HG21 THR 65 3HG2 THR 65 -10.361 6.675 9.784 526 HG22 THR 65 1HG2 THR 65 -9.255 7.695 10.686 527 HG23 THR 65 2HG2 THR 65 -8.969 5.968 10.579 528 H LEU 66 H LEU 66 -10.220 3.960 8.083 529 HA LEU 66 HA LEU 66 -12.298 5.185 6.393 530 HB2 LEU 66 2HB LEU 66 -11.517 2.353 6.893 531 HB3 LEU 66 1HB LEU 66 -13.201 2.697 6.594 532 HG LEU 66 HG LEU 66 -12.114 1.945 4.578 533 HD11 LEU 66 1HD1 LEU 66 -13.922 3.467 4.335 534 HD12 LEU 66 2HD1 LEU 66 -12.718 3.723 3.078 535 HD13 LEU 66 3HD1 LEU 66 -12.823 4.841 4.441 536 HD21 LEU 66 3HD2 LEU 66 -9.835 2.643 5.053 537 HD22 LEU 66 1HD2 LEU 66 -10.314 4.331 4.884 538 HD23 LEU 66 2HD2 LEU 66 -10.372 3.253 3.487 539 H GLY 67 H GLY 67 -14.502 4.797 7.010 540 HA2 GLY 67 2HA GLY 67 -14.952 5.076 9.827 541 HA3 GLY 67 1HA GLY 67 -16.183 5.008 8.562 542 H VAL 68 H VAL 68 -16.528 3.601 10.896 543 HA VAL 68 HA VAL 68 -15.487 0.976 10.770 544 HB VAL 68 HB VAL 68 -16.257 1.828 12.844 545 HG11 VAL 68 1HG1 VAL 68 -18.679 2.103 13.393 546 HG12 VAL 68 2HG1 VAL 68 -19.049 1.864 11.685 547 HG13 VAL 68 3HG1 VAL 68 -18.090 3.256 12.200 548 HG21 VAL 68 3HG2 VAL 68 -17.940 -0.532 12.011 549 HG22 VAL 68 1HG2 VAL 68 -17.658 -0.049 13.685 550 HG23 VAL 68 2HG2 VAL 68 -16.310 -0.573 12.674 551 H HIS 69 H HIS 69 -18.367 2.390 9.489 552 HA HIS 69 HA HIS 69 -19.709 0.034 8.726 553 HB2 HIS 69 2HB HIS 69 -20.745 2.301 8.882 554 HB3 HIS 69 1HB HIS 69 -19.846 2.779 7.456 555 HD1 HIS 69 1HD HIS 69 -23.008 1.269 8.501 556 HD2 HIS 69 2HD HIS 69 -20.696 1.395 5.058 557 HE1 HIS 69 1HE HIS 69 -24.527 0.575 6.603 558 H ASP 70 H ASP 70 -17.291 2.016 7.135 559 HA ASP 70 HA ASP 70 -17.481 0.576 4.649 560 HB2 ASP 70 2HB ASP 70 -15.626 2.763 5.580 561 HB3 ASP 70 1HB ASP 70 -15.489 1.991 4.002 562 H PHE 71 H PHE 71 -15.327 0.591 7.478 563 HA PHE 71 HA PHE 71 -13.278 -0.843 6.227 564 HB2 PHE 71 2HB PHE 71 -13.115 0.485 8.335 565 HB3 PHE 71 1HB PHE 71 -13.931 -0.839 9.161 566 HD1 PHE 71 1HD PHE 71 -12.787 -2.959 9.502 567 HD2 PHE 71 2HD PHE 71 -10.894 0.301 7.602 568 HE1 PHE 71 1HE PHE 71 -10.601 -4.061 9.835 569 HE2 PHE 71 2HE PHE 71 -8.685 -0.774 7.922 570 HZ PHE 71 HZ PHE 71 -8.550 -2.969 9.039 571 H GLU 72 H GLU 72 -16.229 -1.856 7.849 572 HA GLU 72 HA GLU 72 -15.669 -4.569 8.139 573 HB2 GLU 72 2HB GLU 72 -18.277 -3.227 7.497 574 HB3 GLU 72 1HB GLU 72 -18.111 -4.899 7.991 575 HG2 GLU 72 2HG GLU 72 -17.143 -4.135 10.121 576 HG3 GLU 72 1HG GLU 72 -17.416 -2.469 9.609 577 H LYS 73 H LYS 73 -16.504 -2.728 5.313 578 HA LYS 73 HA LYS 73 -16.930 -5.092 3.757 579 HB2 LYS 73 2HB LYS 73 -17.165 -2.184 3.189 580 HB3 LYS 73 1HB LYS 73 -16.847 -3.252 1.828 581 HG2 LYS 73 2HG LYS 73 -19.229 -2.870 2.072 582 HG3 LYS 73 1HG LYS 73 -18.833 -4.556 2.369 583 HD2 LYS 73 2HD LYS 73 -18.862 -3.983 4.847 584 HD3 LYS 73 1HD LYS 73 -19.575 -2.436 4.380 585 HE2 LYS 73 2HE LYS 73 -21.368 -3.676 3.192 586 HE3 LYS 73 1HE LYS 73 -20.665 -5.172 3.796 587 HZ1 LYS 73 3HZ LYS 73 -21.896 -3.010 5.391 588 HZ2 LYS 73 1HZ LYS 73 -21.093 -4.334 6.084 589 HZ3 LYS 73 2HZ LYS 73 -22.481 -4.560 5.151 590 H LEU 74 H LEU 74 -14.333 -2.972 4.474 591 HA LEU 74 HA LEU 74 -12.559 -3.945 2.450 592 HB2 LEU 74 2HB LEU 74 -11.917 -2.805 5.174 593 HB3 LEU 74 1HB LEU 74 -10.734 -3.135 3.932 594 HG LEU 74 HG LEU 74 -12.916 -1.049 3.814 595 HD11 LEU 74 1HD1 LEU 74 -9.931 -0.880 4.131 596 HD12 LEU 74 2HD1 LEU 74 -11.150 -0.425 5.326 597 HD13 LEU 74 3HD1 LEU 74 -10.982 0.492 3.827 598 HD21 LEU 74 3HD2 LEU 74 -11.841 -0.327 1.734 599 HD22 LEU 74 1HD2 LEU 74 -12.443 -1.976 1.582 600 HD23 LEU 74 2HD2 LEU 74 -10.723 -1.687 1.836 601 H GLY 75 H GLY 75 -13.405 -4.941 5.694 602 HA2 GLY 75 2HA GLY 75 -13.462 -7.467 5.790 603 HA3 GLY 75 1HA GLY 75 -11.762 -7.351 5.339 604 H ALA 76 H ALA 76 -11.554 -8.544 7.403 605 HA ALA 76 HA ALA 76 -11.803 -6.866 9.773 606 HB1 ALA 76 1HB ALA 76 -11.269 -8.901 11.020 607 HB2 ALA 76 2HB ALA 76 -10.988 -9.763 9.509 608 HB3 ALA 76 3HB ALA 76 -12.606 -9.182 9.907 609 H ASP 77 H ASP 77 -9.657 -7.126 7.397 610 HA ASP 77 HA ASP 77 -7.343 -6.802 9.183 611 HB2 ASP 77 2HB ASP 77 -5.924 -7.995 7.697 612 HB3 ASP 77 1HB ASP 77 -7.365 -8.995 7.855 613 HA PRO 78 HA PRO 78 -6.636 -3.220 6.448 614 HB2 PRO 78 2HB PRO 78 -4.191 -2.894 8.004 615 HB3 PRO 78 1HB PRO 78 -5.561 -1.793 7.907 616 HG2 PRO 78 2HG PRO 78 -4.923 -3.191 10.148 617 HG3 PRO 78 1HG PRO 78 -6.573 -2.689 9.759 618 HD2 PRO 78 2HD PRO 78 -5.276 -5.357 9.466 619 HD3 PRO 78 1HD PRO 78 -6.944 -4.951 9.938 620 H GLU 79 H GLU 79 -4.645 -5.736 7.584 621 HA GLU 79 HA GLU 79 -2.171 -5.253 6.605 622 HB2 GLU 79 2HB GLU 79 -2.651 -6.788 8.368 623 HB3 GLU 79 1HB GLU 79 -3.397 -7.901 7.234 624 HG2 GLU 79 2HG GLU 79 -1.322 -8.337 6.180 625 HG3 GLU 79 1HG GLU 79 -0.523 -7.050 7.086 626 H LEU 80 H LEU 80 -4.530 -7.376 4.866 627 HA LEU 80 HA LEU 80 -2.657 -8.329 3.005 628 HB2 LEU 80 2HB LEU 80 -4.918 -9.309 3.401 629 HB3 LEU 80 1HB LEU 80 -5.645 -7.933 2.627 630 HG LEU 80 HG LEU 80 -5.625 -10.050 1.273 631 HD11 LEU 80 1HD1 LEU 80 -4.185 -7.737 -0.005 632 HD12 LEU 80 2HD1 LEU 80 -5.931 -7.937 0.135 633 HD13 LEU 80 3HD1 LEU 80 -4.994 -9.056 -0.855 634 HD21 LEU 80 3HD2 LEU 80 -3.449 -10.911 1.893 635 HD22 LEU 80 1HD2 LEU 80 -2.656 -9.538 1.116 636 HD23 LEU 80 2HD2 LEU 80 -3.549 -10.710 0.148 637 H LYS 81 H LYS 81 -4.641 -5.510 2.949 638 HA LYS 81 HA LYS 81 -3.585 -4.817 0.364 639 HB2 LYS 81 2HB LYS 81 -5.201 -2.734 0.674 640 HB3 LYS 81 1HB LYS 81 -5.783 -4.283 0.108 641 HG2 LYS 81 2HG LYS 81 -5.904 -3.500 3.002 642 HG3 LYS 81 1HG LYS 81 -7.168 -3.026 1.863 643 HD2 LYS 81 2HD LYS 81 -7.526 -5.422 1.322 644 HD3 LYS 81 1HD LYS 81 -6.323 -5.882 2.514 645 HE2 LYS 81 2HE LYS 81 -7.722 -4.767 4.247 646 HE3 LYS 81 1HE LYS 81 -8.945 -4.483 3.010 647 HZ1 LYS 81 3HZ LYS 81 -9.583 -6.439 4.111 648 HZ2 LYS 81 1HZ LYS 81 -8.030 -7.113 4.082 649 HZ3 LYS 81 2HZ LYS 81 -8.927 -6.966 2.670 650 H SER 82 H SER 82 -2.932 -4.138 3.570 651 HA SER 82 HA SER 82 -1.717 -1.591 3.165 652 HB2 SER 82 2HB SER 82 -1.267 -3.661 5.335 653 HB3 SER 82 1HB SER 82 -0.656 -2.006 5.368 654 HG SER 82 HG SER 82 -3.393 -2.585 5.043 655 H THR 83 H THR 83 -0.550 -4.957 3.272 656 HA THR 83 HA THR 83 2.151 -4.425 2.785 657 HB THR 83 HB THR 83 0.603 -6.898 1.956 658 HG1 THR 83 1HG THR 83 0.332 -7.319 4.002 659 HG21 THR 83 3HG2 THR 83 3.452 -6.515 2.913 660 HG22 THR 83 1HG2 THR 83 2.967 -6.783 1.239 661 HG23 THR 83 2HG2 THR 83 2.714 -8.045 2.444 662 H GLY 84 H GLY 84 -0.592 -5.116 0.648 663 HA2 GLY 84 2HA GLY 84 0.794 -5.332 -1.782 664 HA3 GLY 84 1HA GLY 84 -0.905 -4.913 -1.609 665 H PHE 85 H PHE 85 -0.967 -2.539 -0.460 666 HA PHE 85 HA PHE 85 -0.072 -0.881 -2.539 667 HB2 PHE 85 2HB PHE 85 -1.475 -0.288 0.039 668 HB3 PHE 85 1HB PHE 85 -0.861 1.021 -0.968 669 HD1 PHE 85 1HD PHE 85 -1.773 1.408 -3.189 670 HD2 PHE 85 2HD PHE 85 -3.391 -1.589 -0.643 671 HE1 PHE 85 1HE PHE 85 -3.770 1.313 -4.597 672 HE2 PHE 85 2HE PHE 85 -5.404 -1.703 -2.051 673 HZ PHE 85 HZ PHE 85 -5.601 -0.255 -4.036 674 H ALA 86 H ALA 86 1.354 -1.618 0.575 675 HA ALA 86 HA ALA 86 3.151 0.538 0.680 676 HB1 ALA 86 1HB ALA 86 2.802 -1.020 2.560 677 HB2 ALA 86 2HB ALA 86 4.509 -0.840 2.160 678 HB3 ALA 86 3HB ALA 86 3.628 -2.286 1.651 679 H ARG 87 H ARG 87 3.507 -2.652 -0.770 680 HA ARG 87 HA ARG 87 6.104 -2.211 -1.782 681 HB2 ARG 87 2HB ARG 87 5.388 -4.464 -1.525 682 HB3 ARG 87 1HB ARG 87 3.949 -4.192 -2.491 683 HG2 ARG 87 2HG ARG 87 5.589 -5.501 -3.704 684 HG3 ARG 87 1HG ARG 87 5.332 -3.945 -4.500 685 HD2 ARG 87 2HD ARG 87 7.398 -3.138 -3.318 686 HD3 ARG 87 1HD ARG 87 7.635 -4.802 -2.775 687 HE ARG 87 HE ARG 87 7.331 -4.454 -5.622 688 HH11 ARG 87 1HH1 ARG 87 9.652 -4.839 -2.965 689 HH12 ARG 87 2HH1 ARG 87 10.984 -5.091 -3.995 690 HH21 ARG 87 1HH2 ARG 87 9.194 -4.791 -7.022 691 HH22 ARG 87 2HH2 ARG 87 10.711 -5.065 -6.323 692 H ASP 88 H ASP 88 2.912 -1.964 -3.255 693 HA ASP 88 HA ASP 88 3.905 -1.452 -5.865 694 HB2 ASP 88 2HB ASP 88 1.573 -2.325 -5.144 695 HB3 ASP 88 1HB ASP 88 1.159 -0.627 -4.957 696 H LEU 89 H LEU 89 2.930 0.669 -3.222 697 HA LEU 89 HA LEU 89 3.092 3.049 -4.785 698 HB2 LEU 89 2HB LEU 89 1.747 2.660 -2.618 699 HB3 LEU 89 1HB LEU 89 3.256 2.862 -1.770 700 HG LEU 89 HG LEU 89 1.786 4.862 -1.709 701 HD11 LEU 89 1HD1 LEU 89 4.385 5.313 -3.138 702 HD12 LEU 89 2HD1 LEU 89 4.153 5.179 -1.394 703 HD13 LEU 89 3HD1 LEU 89 3.457 6.538 -2.273 704 HD21 LEU 89 3HD2 LEU 89 1.502 6.238 -3.693 705 HD22 LEU 89 1HD2 LEU 89 0.780 4.647 -3.913 706 HD23 LEU 89 2HD2 LEU 89 2.330 5.031 -4.671 707 H ALA 90 H ALA 90 5.314 1.246 -2.714 708 HA ALA 90 HA ALA 90 7.413 3.115 -2.645 709 HB1 ALA 90 1HB ALA 90 8.874 1.193 -2.152 710 HB2 ALA 90 2HB ALA 90 7.584 0.094 -2.642 711 HB3 ALA 90 3HB ALA 90 7.375 1.113 -1.221 712 H ASP 91 H ASP 91 6.469 0.697 -4.907 713 HA ASP 91 HA ASP 91 8.617 0.799 -6.750 714 HB2 ASP 91 2HB ASP 91 6.810 -0.951 -6.620 715 HB3 ASP 91 1HB ASP 91 5.700 0.219 -7.312 716 H TYR 92 H TYR 92 5.564 2.573 -6.546 717 HA TYR 92 HA TYR 92 5.893 4.161 -8.825 718 HB2 TYR 92 2HB TYR 92 4.317 4.579 -6.318 719 HB3 TYR 92 1HB TYR 92 4.501 5.910 -7.448 720 HD1 TYR 92 2HD TYR 92 4.197 4.912 -9.986 721 HD2 TYR 92 1HD TYR 92 2.262 3.566 -6.476 722 HE1 TYR 92 2HE TYR 92 2.320 4.040 -11.360 723 HE2 TYR 92 1HE TYR 92 0.389 2.700 -7.809 724 HH TYR 92 HH TYR 92 -0.617 3.101 -10.018 725 H ILE 93 H ILE 93 6.852 4.860 -5.471 726 HA ILE 93 HA ILE 93 7.760 7.403 -6.204 727 HB ILE 93 HB ILE 93 8.842 7.619 -3.996 728 HG12 ILE 93 2HG1 ILE 93 8.041 4.724 -3.598 729 HG13 ILE 93 1HG1 ILE 93 9.684 5.295 -3.803 730 HG21 ILE 93 1HG2 ILE 93 6.117 6.343 -3.879 731 HG22 ILE 93 2HG2 ILE 93 6.444 8.037 -4.220 732 HG23 ILE 93 3HG2 ILE 93 6.820 7.366 -2.629 733 HD11 ILE 93 3HD1 ILE 93 9.215 4.857 -1.462 734 HD12 ILE 93 1HD1 ILE 93 7.861 5.986 -1.507 735 HD13 ILE 93 2HD1 ILE 93 9.510 6.576 -1.724 736 H GLN 94 H GLN 94 9.373 4.315 -6.162 737 HA GLN 94 HA GLN 94 12.031 5.193 -6.512 738 HB2 GLN 94 2HB GLN 94 10.611 2.719 -7.486 739 HB3 GLN 94 1HB GLN 94 12.336 2.978 -7.679 740 HG2 GLN 94 2HG GLN 94 12.634 2.998 -5.277 741 HG3 GLN 94 1HG GLN 94 10.889 2.902 -5.036 742 HE21 GLN 94 1HE2 GLN 94 13.004 1.081 -4.142 743 HE22 GLN 94 2HE2 GLN 94 12.587 -0.453 -4.816 744 H GLU 95 H GLU 95 9.460 4.454 -8.820 745 HA GLU 95 HA GLU 95 10.908 5.087 -11.114 746 HB2 GLU 95 2HB GLU 95 8.025 4.766 -10.477 747 HB3 GLU 95 1HB GLU 95 8.492 5.428 -12.037 748 HG2 GLU 95 2HG GLU 95 9.518 2.828 -10.946 749 HG3 GLU 95 1HG GLU 95 8.120 2.972 -12.015 750 H GLN 96 H GLN 96 9.087 7.080 -8.926 751 HA GLN 96 HA GLN 96 9.222 9.381 -10.666 752 HB2 GLN 96 2HB GLN 96 8.514 9.304 -7.744 753 HB3 GLN 96 1HB GLN 96 8.173 10.606 -8.867 754 HG2 GLN 96 2HG GLN 96 6.957 7.855 -8.783 755 HG3 GLN 96 1HG GLN 96 6.140 9.386 -8.523 756 HE21 GLN 96 1HE2 GLN 96 5.611 7.205 -10.375 757 HE22 GLN 96 2HE2 GLN 96 5.602 7.894 -11.956 758 H GLY 97 H GLY 97 11.336 7.901 -8.501 759 HA2 GLY 97 2HA GLY 97 13.580 8.421 -8.243 760 HA3 GLY 97 1HA GLY 97 13.280 9.976 -9.000 761 H TRP 98 H TRP 98 11.352 8.899 -6.318 762 HA TRP 98 HA TRP 98 12.539 11.059 -4.749 763 HB2 TRP 98 2HB TRP 98 9.967 9.533 -4.263 764 HB3 TRP 98 1HB TRP 98 10.530 10.921 -3.344 765 HD1 TRP 98 HD TRP 98 11.380 12.711 -5.927 766 HE1 TRP 98 1HE TRP 98 9.515 13.781 -7.340 767 HE3 TRP 98 3HE TRP 98 7.492 9.733 -4.517 768 HZ2 TRP 98 2HZ TRP 98 6.750 13.428 -7.776 769 HZ3 TRP 98 3HZ TRP 98 5.262 10.164 -5.468 770 HH2 TRP 98 HH TRP 98 4.901 11.975 -7.062 771 H GLN 99 H GLN 99 12.318 10.485 -2.237 772 HA GLN 99 HA GLN 99 13.215 7.754 -1.672 773 HB2 GLN 99 2HB GLN 99 15.094 8.595 -0.327 774 HB3 GLN 99 1HB GLN 99 15.283 9.015 -2.021 775 HG2 GLN 99 2HG GLN 99 14.542 11.297 -1.547 776 HG3 GLN 99 1HG GLN 99 14.306 10.869 0.145 777 HE21 GLN 99 1HE2 GLN 99 16.103 12.869 -1.101 778 HE22 GLN 99 2HE2 GLN 99 17.674 12.420 -0.550 779 H THR 100 H THR 100 13.435 7.606 0.918 780 HA THR 100 HA THR 100 11.836 9.521 2.292 781 HB THR 100 HB THR 100 10.119 8.036 1.190 782 HG1 THR 100 1HG THR 100 9.214 8.842 2.848 783 HG21 THR 100 3HG2 THR 100 11.265 5.922 3.038 784 HG22 THR 100 1HG2 THR 100 11.335 5.896 1.276 785 HG23 THR 100 2HG2 THR 100 9.779 5.760 2.102 786 H TYR 101 H TYR 101 11.528 8.670 4.662 787 HA TYR 101 HA TYR 101 14.069 7.410 5.444 788 HB2 TYR 101 2HB TYR 101 12.157 9.134 7.037 789 HB3 TYR 101 1HB TYR 101 13.520 8.288 7.739 790 HD1 TYR 101 1HD TYR 101 15.849 8.910 6.865 791 HD2 TYR 101 2HD TYR 101 12.394 11.291 6.207 792 HE1 TYR 101 1HE TYR 101 17.281 10.868 6.487 793 HE2 TYR 101 2HE TYR 101 13.816 13.254 5.812 794 HH TYR 101 HH TYR 101 17.120 13.006 5.299 795 H GLY 102 H GLY 102 13.805 5.315 5.913 796 HA2 GLY 102 2HA GLY 102 12.926 3.785 7.539 797 HA3 GLY 102 1HA GLY 102 11.382 4.624 7.409 798 H ASP 103 H ASP 103 10.323 2.778 6.957 799 HA ASP 103 HA ASP 103 10.751 1.721 4.269 800 HB2 ASP 103 2HB ASP 103 9.638 0.408 6.762 801 HB3 ASP 103 1HB ASP 103 9.343 -0.230 5.155 802 H VAL 104 H VAL 104 8.982 1.709 2.951 803 HA VAL 104 HA VAL 104 6.904 3.561 3.554 804 HB VAL 104 HB VAL 104 7.066 1.558 1.272 805 HG11 VAL 104 1HG1 VAL 104 5.486 3.040 0.111 806 HG12 VAL 104 2HG1 VAL 104 5.374 4.045 1.555 807 HG13 VAL 104 3HG1 VAL 104 4.793 2.382 1.592 808 HG21 VAL 104 3HG2 VAL 104 7.898 4.456 1.360 809 HG22 VAL 104 1HG2 VAL 104 7.908 3.429 -0.074 810 HG23 VAL 104 2HG2 VAL 104 8.984 3.069 1.282 811 H VAL 105 H VAL 105 5.173 3.153 4.724 812 HA VAL 105 HA VAL 105 4.156 0.428 4.819 813 HB VAL 105 HB VAL 105 3.560 0.761 7.225 814 HG11 VAL 105 1HG1 VAL 105 5.527 -0.541 6.663 815 HG12 VAL 105 2HG1 VAL 105 5.810 0.384 8.137 816 HG13 VAL 105 3HG1 VAL 105 6.508 0.925 6.609 817 HG21 VAL 105 3HG2 VAL 105 3.605 3.200 7.328 818 HG22 VAL 105 1HG2 VAL 105 5.341 3.195 7.019 819 HG23 VAL 105 2HG2 VAL 105 4.712 2.513 8.518 820 H VAL 106 H VAL 106 2.042 0.222 4.735 821 HA VAL 106 HA VAL 106 0.416 2.656 4.595 822 HB VAL 106 HB VAL 106 0.102 0.034 3.060 823 HG11 VAL 106 1HG1 VAL 106 -1.774 1.102 1.903 824 HG12 VAL 106 2HG1 VAL 106 -1.598 2.520 2.932 825 HG13 VAL 106 3HG1 VAL 106 -2.079 0.976 3.637 826 HG21 VAL 106 3HG2 VAL 106 0.729 2.799 2.029 827 HG22 VAL 106 1HG2 VAL 106 0.526 1.344 1.060 828 HG23 VAL 106 2HG2 VAL 106 1.880 1.477 2.186 829 H ARG 107 H ARG 107 -1.492 2.567 5.784 830 HA ARG 107 HA ARG 107 -2.276 0.045 6.927 831 HB2 ARG 107 2HB ARG 107 -2.537 1.075 9.206 832 HB3 ARG 107 1HB ARG 107 -0.892 0.743 8.707 833 HG2 ARG 107 2HG ARG 107 -0.488 3.079 8.294 834 HG3 ARG 107 1HG ARG 107 -2.191 3.461 8.575 835 HD2 ARG 107 2HD ARG 107 -2.048 2.889 10.853 836 HD3 ARG 107 1HD ARG 107 -0.493 2.103 10.633 837 HE ARG 107 HE ARG 107 0.407 4.357 10.214 838 HH11 ARG 107 1HH1 ARG 107 -2.779 4.373 11.744 839 HH12 ARG 107 2HH1 ARG 107 -2.346 5.413 13.007 840 HH21 ARG 107 1HH2 ARG 107 1.034 5.905 11.923 841 HH22 ARG 107 2HH2 ARG 107 -0.107 6.308 13.122 842 H PHE 108 H PHE 108 -4.365 -0.069 7.543 843 HA PHE 108 HA PHE 108 -6.075 2.205 6.829 844 HB2 PHE 108 2HB PHE 108 -6.656 -0.768 6.522 845 HB3 PHE 108 1HB PHE 108 -7.782 0.530 6.181 846 HD1 PHE 108 2HD PHE 108 -4.714 -1.160 5.062 847 HD2 PHE 108 1HD PHE 108 -7.703 1.698 4.134 848 HE1 PHE 108 2HE PHE 108 -3.948 -1.141 2.726 849 HE2 PHE 108 1HE PHE 108 -6.955 1.725 1.781 850 HZ PHE 108 HZ PHE 108 -5.072 0.304 1.078 851 H GLU 109 H GLU 109 -7.205 2.856 8.568 852 HA GLU 109 HA GLU 109 -7.805 0.800 10.568 853 HB2 GLU 109 2HB GLU 109 -7.406 2.291 12.466 854 HB3 GLU 109 1HB GLU 109 -5.945 2.042 11.536 855 HG2 GLU 109 2HG GLU 109 -7.652 4.427 11.056 856 HG3 GLU 109 1HG GLU 109 -6.552 4.427 12.416 857 H GLN 110 H GLN 110 -9.356 1.770 12.289 858 HA GLN 110 HA GLN 110 -11.576 2.884 10.752 859 HB2 GLN 110 2HB GLN 110 -11.524 1.211 13.242 860 HB3 GLN 110 1HB GLN 110 -12.968 1.998 12.623 861 HG2 GLN 110 2HG GLN 110 -12.816 0.772 10.588 862 HG3 GLN 110 1HG GLN 110 -11.300 0.048 11.106 863 HE21 GLN 110 1HE2 GLN 110 -11.359 -1.602 12.595 864 HE22 GLN 110 2HE2 GLN 110 -12.824 -2.402 13.020 865 H SER 111 H SER 111 -12.749 4.510 11.483 866 HA SER 111 HA SER 111 -12.233 5.619 14.074 867 HB2 SER 111 2HB SER 111 -12.013 7.071 11.463 868 HB3 SER 111 1HB SER 111 -12.334 7.937 12.960 869 HG SER 111 HG SER 111 -10.296 6.059 12.974 870 H SER 112 H SER 112 -14.076 5.757 15.047 871 HA SER 112 HA SER 112 -16.525 5.174 13.729 872 HB2 SER 112 2HB SER 112 -16.027 6.041 16.575 873 HB3 SER 112 1HB SER 112 -17.519 5.337 15.947 874 HG SER 112 HG SER 112 -16.639 3.560 16.468 875 H ASN 113 H ASN 113 -14.977 8.148 14.616 876 HA ASN 113 HA ASN 113 -17.460 9.670 14.427 877 HB2 ASN 113 2HB ASN 113 -15.549 10.133 16.031 878 HB3 ASN 113 1HB ASN 113 -14.653 10.738 14.659 879 HD21 ASN 113 1HD2 ASN 113 -14.529 12.800 15.527 880 HD22 ASN 113 2HD2 ASN 113 -15.865 13.891 15.560 881 H LEU 114 H LEU 114 -15.463 8.296 12.383 882 HA LEU 114 HA LEU 114 -15.417 10.380 10.369 883 HB2 LEU 114 2HB LEU 114 -13.526 8.766 10.576 884 HB3 LEU 114 1HB LEU 114 -14.613 7.475 10.117 885 HG LEU 114 HG LEU 114 -14.860 8.443 7.882 886 HD11 LEU 114 1HD1 LEU 114 -14.621 10.811 8.442 887 HD12 LEU 114 2HD1 LEU 114 -13.466 10.341 7.197 888 HD13 LEU 114 3HD1 LEU 114 -12.931 10.545 8.863 889 HD21 LEU 114 3HD2 LEU 114 -12.582 8.085 7.105 890 HD22 LEU 114 1HD2 LEU 114 -13.056 6.880 8.300 891 HD23 LEU 114 2HD2 LEU 114 -11.997 8.211 8.761 892 H HIS 115 H HIS 115 -16.536 10.286 8.443 893 HA HIS 115 HA HIS 115 -19.248 9.578 8.955 894 HB2 HIS 115 2HB HIS 115 -17.947 10.937 6.592 895 HB3 HIS 115 1HB HIS 115 -19.686 10.847 6.880 896 HD1 HIS 115 1HD HIS 115 -20.609 12.896 8.047 897 HD2 HIS 115 2HD HIS 115 -16.550 12.392 8.761 898 HE1 HIS 115 1HE HIS 115 -19.860 14.920 9.357 899 H THR 116 H THR 116 -20.538 8.305 7.634 900 HA THR 116 HA THR 116 -19.395 5.903 6.702 901 HB THR 116 HB THR 116 -22.149 7.051 6.175 902 HG1 THR 116 1HG THR 116 -21.533 6.884 8.439 903 HG21 THR 116 3HG2 THR 116 -22.831 4.703 5.955 904 HG22 THR 116 1HG2 THR 116 -21.158 4.199 6.207 905 HG23 THR 116 2HG2 THR 116 -21.595 5.124 4.769 906 H GLY 117 H GLY 117 -18.498 5.501 4.702 907 HA2 GLY 117 2HA GLY 117 -18.254 5.603 2.441 908 HA3 GLY 117 1HA GLY 117 -19.534 6.806 2.362 909 H GLN 118 H GLN 118 -17.042 7.495 4.636 910 HA GLN 118 HA GLN 118 -15.763 9.249 2.697 911 HB2 GLN 118 2HB GLN 118 -17.322 10.347 4.447 912 HB3 GLN 118 1HB GLN 118 -16.147 9.816 5.626 913 HG2 GLN 118 2HG GLN 118 -14.434 11.109 4.637 914 HG3 GLN 118 1HG GLN 118 -15.496 11.538 3.292 915 HE21 GLN 118 1HE2 GLN 118 -14.666 12.192 6.599 916 HE22 GLN 118 2HE2 GLN 118 -15.681 13.572 6.779 917 H PHE 119 H PHE 119 -13.651 8.776 2.532 918 HA PHE 119 HA PHE 119 -12.402 7.368 4.781 919 HB2 PHE 119 2HB PHE 119 -10.979 6.174 3.235 920 HB3 PHE 119 1HB PHE 119 -12.628 5.999 2.689 921 HD1 PHE 119 2HD PHE 119 -13.416 7.217 0.675 922 HD2 PHE 119 1HD PHE 119 -9.330 7.243 1.862 923 HE1 PHE 119 2HE PHE 119 -12.769 7.967 -1.574 924 HE2 PHE 119 1HE PHE 119 -8.674 7.990 -0.378 925 HZ PHE 119 HZ PHE 119 -10.393 8.357 -2.107 926 H ARG 120 H ARG 120 -10.179 7.904 5.133 927 HA ARG 120 HA ARG 120 -9.438 10.460 3.943 928 HB2 ARG 120 2HB ARG 120 -10.162 10.824 6.190 929 HB3 ARG 120 1HB ARG 120 -9.056 9.559 6.764 930 HG2 ARG 120 2HG ARG 120 -8.218 11.783 7.317 931 HG3 ARG 120 1HG ARG 120 -7.159 10.974 6.168 932 HD2 ARG 120 2HD ARG 120 -7.555 13.380 5.686 933 HD3 ARG 120 1HD ARG 120 -7.981 12.303 4.361 934 HE ARG 120 HE ARG 120 -10.296 12.597 4.984 935 HH11 ARG 120 1HH1 ARG 120 -8.064 15.025 6.299 936 HH12 ARG 120 2HH1 ARG 120 -9.280 16.207 6.478 937 HH21 ARG 120 1HH2 ARG 120 -11.903 14.225 5.178 938 HH22 ARG 120 2HH2 ARG 120 -11.509 15.760 5.817 939 H ALA 121 H ALA 121 -7.579 10.513 3.193 940 HA ALA 121 HA ALA 121 -5.675 8.312 3.679 941 HB1 ALA 121 1HB ALA 121 -6.256 9.611 1.008 942 HB2 ALA 121 2HB ALA 121 -6.743 7.987 1.491 943 HB3 ALA 121 3HB ALA 121 -5.033 8.377 1.307 944 H ARG 122 H ARG 122 -3.868 9.064 4.487 945 HA ARG 122 HA ARG 122 -2.969 11.730 3.667 946 HB2 ARG 122 2HB ARG 122 -4.136 11.852 5.852 947 HB3 ARG 122 1HB ARG 122 -2.986 10.693 6.499 948 HG2 ARG 122 2HG ARG 122 -1.164 12.303 6.019 949 HG3 ARG 122 1HG ARG 122 -2.388 13.470 5.512 950 HD2 ARG 122 2HD ARG 122 -3.429 13.300 7.709 951 HD3 ARG 122 1HD ARG 122 -2.156 12.197 8.232 952 HE ARG 122 HE ARG 122 -1.674 14.973 7.387 953 HH11 ARG 122 1HH1 ARG 122 -0.904 12.274 9.537 954 HH12 ARG 122 2HH1 ARG 122 0.111 13.182 10.561 955 HH21 ARG 122 1HH2 ARG 122 -0.273 16.222 8.791 956 HH22 ARG 122 2HH2 ARG 122 0.472 15.486 10.126 957 H GLY 123 H GLY 123 -0.968 11.683 3.036 958 HA2 GLY 123 2HA GLY 123 0.704 9.364 3.634 959 HA3 GLY 123 1HA GLY 123 1.025 10.588 2.404 960 H THR 124 H THR 124 1.514 9.657 5.622 961 HA THR 124 HA THR 124 2.320 12.301 6.446 962 HB THR 124 HB THR 124 2.204 9.712 7.982 963 HG1 THR 124 1HG THR 124 0.217 10.609 6.944 964 HG21 THR 124 3HG2 THR 124 2.189 12.603 8.863 965 HG22 THR 124 1HG2 THR 124 3.546 11.483 9.022 966 HG23 THR 124 2HG2 THR 124 2.061 11.204 9.935 967 H VAL 125 H VAL 125 4.413 12.787 6.786 968 HA VAL 125 HA VAL 125 6.427 10.786 6.113 969 HB VAL 125 HB VAL 125 6.712 13.793 6.490 970 HG11 VAL 125 1HG1 VAL 125 8.777 11.749 5.651 971 HG12 VAL 125 2HG1 VAL 125 8.745 12.620 7.183 972 HG13 VAL 125 3HG1 VAL 125 9.013 13.497 5.678 973 HG21 VAL 125 3HG2 VAL 125 7.089 12.176 3.995 974 HG22 VAL 125 1HG2 VAL 125 7.087 13.916 4.138 975 HG23 VAL 125 2HG2 VAL 125 5.576 13.017 4.369 976 H ASN 126 H ASN 126 7.147 9.686 7.773 977 HA ASN 126 HA ASN 126 7.573 11.075 10.310 978 HB2 ASN 126 2HB ASN 126 6.384 8.918 10.571 979 HB3 ASN 126 1HB ASN 126 7.607 8.096 9.641 980 HD21 ASN 126 1HD2 ASN 126 7.994 6.660 11.388 981 HD22 ASN 126 2HD2 ASN 126 8.889 7.130 12.780 982 HA PRO 127 HA PRO 127 11.657 11.067 8.379 983 HB2 PRO 127 2HB PRO 127 12.425 13.507 9.141 984 HB3 PRO 127 1HB PRO 127 11.236 13.280 7.855 985 HG2 PRO 127 2HG PRO 127 10.828 14.147 10.672 986 HG3 PRO 127 1HG PRO 127 9.928 14.598 9.217 987 HD2 PRO 127 2HD PRO 127 9.187 12.658 11.141 988 HD3 PRO 127 1HD PRO 127 8.424 12.938 9.563 989 H ASP 128 H ASP 128 10.661 10.916 11.514 990 HA ASP 128 HA ASP 128 13.259 11.323 12.759 991 HB2 ASP 128 2HB ASP 128 10.552 10.716 13.959 992 HB3 ASP 128 1HB ASP 128 12.025 10.995 14.886 993 H VAL 129 H VAL 129 12.897 9.165 10.972 994 HA VAL 129 HA VAL 129 12.701 6.770 12.518 995 HB VAL 129 HB VAL 129 13.796 7.156 9.709 996 HG11 VAL 129 1HG1 VAL 129 14.627 5.101 10.728 997 HG12 VAL 129 2HG1 VAL 129 13.449 4.729 9.464 998 HG13 VAL 129 3HG1 VAL 129 12.982 4.645 11.164 999 HG21 VAL 129 3HG2 VAL 129 11.625 6.296 8.975 1000 HG22 VAL 129 1HG2 VAL 129 11.455 7.797 9.887 1001 HG23 VAL 129 2HG2 VAL 129 11.082 6.251 10.652 1002 H GLU 130 H GLU 130 14.149 6.692 14.037 1003 HA GLU 130 HA GLU 130 16.831 7.580 13.532 1004 HB2 GLU 130 2HB GLU 130 17.177 7.278 15.979 1005 HB3 GLU 130 1HB GLU 130 15.885 8.391 15.570 1006 HG2 GLU 130 2HG GLU 130 14.282 6.539 15.945 1007 HG3 GLU 130 1HG GLU 130 15.616 5.569 16.561 1008 H THR 131 H THR 131 17.677 6.200 12.311 1009 HA THR 131 HA THR 131 17.558 3.408 12.891 1010 HB THR 131 HB THR 131 17.378 4.099 10.573 1011 HG1 THR 131 1HG THR 131 18.177 2.117 10.751 1012 HG21 THR 131 3HG2 THR 131 18.761 6.079 10.631 1013 HG22 THR 131 1HG2 THR 131 19.320 5.007 9.330 1014 HG23 THR 131 2HG2 THR 131 20.185 5.077 10.883 1015 H HIS 132 H HIS 132 18.471 3.134 14.645 1016 HA HIS 132 HA HIS 132 21.367 3.544 14.994 1017 HB2 HIS 132 2HB HIS 132 19.138 3.486 17.048 1018 HB3 HIS 132 1HB HIS 132 20.825 3.325 17.487 1019 HD1 HIS 132 1HD HIS 132 21.756 5.476 18.303 1020 HD2 HIS 132 2HD HIS 132 18.784 6.060 15.472 1021 HE1 HIS 132 1HE HIS 132 21.446 7.980 18.126 Start of MODEL 25 1 H1 MET 1 1HT MET 1 34.513 -0.589 -6.642 2 H2 MET 1 2HT MET 1 34.259 -2.053 -5.860 3 H3 MET 1 3HT MET 1 34.165 -0.604 -4.985 4 HA MET 1 HA MET 1 31.993 -1.544 -5.508 5 HB2 MET 1 2HB MET 1 32.420 0.979 -5.394 6 HB3 MET 1 1HB MET 1 32.551 0.957 -7.139 7 HG2 MET 1 2HG MET 1 30.065 0.189 -5.595 8 HG3 MET 1 1HG MET 1 30.366 1.777 -6.267 9 HE1 MET 1 2HE MET 1 30.196 1.055 -10.145 10 HE2 MET 1 3HE MET 1 31.643 1.100 -9.140 11 HE3 MET 1 1HE MET 1 30.368 2.299 -8.906 12 H GLY 2 H GLY 2 30.854 -2.750 -7.001 13 HA2 GLY 2 2HA GLY 2 31.436 -2.456 -9.796 14 HA3 GLY 2 1HA GLY 2 32.009 -3.964 -9.100 15 H SER 3 H SER 3 29.123 -1.987 -9.681 16 HA SER 3 HA SER 3 27.311 -3.982 -8.954 17 HB2 SER 3 2HB SER 3 25.802 -2.545 -10.525 18 HB3 SER 3 1HB SER 3 26.431 -1.812 -9.048 19 HG SER 3 HG SER 3 26.694 -0.463 -10.789 20 H GLN 4 H GLN 4 28.326 -2.900 -12.197 21 HA GLN 4 HA GLN 4 28.934 -3.962 -14.061 22 HB2 GLN 4 2HB GLN 4 30.317 -5.306 -12.561 23 HB3 GLN 4 1HB GLN 4 29.000 -6.439 -12.349 24 HG2 GLN 4 2HG GLN 4 29.134 -7.021 -14.719 25 HG3 GLN 4 1HG GLN 4 30.468 -5.882 -14.912 26 HE21 GLN 4 1HE2 GLN 4 29.478 -8.882 -13.554 27 HE22 GLN 4 2HE2 GLN 4 31.054 -9.493 -13.201 28 H LYS 5 H LYS 5 26.433 -5.798 -12.386 29 HA LYS 5 HA LYS 5 25.329 -7.049 -14.597 30 HB2 LYS 5 2HB LYS 5 25.042 -7.532 -12.113 31 HB3 LYS 5 1HB LYS 5 23.867 -6.230 -12.105 32 HG2 LYS 5 2HG LYS 5 22.779 -8.379 -12.292 33 HG3 LYS 5 1HG LYS 5 22.533 -7.424 -13.762 34 HD2 LYS 5 2HD LYS 5 24.196 -8.636 -14.927 35 HD3 LYS 5 1HD LYS 5 24.735 -9.434 -13.458 36 HE2 LYS 5 2HE LYS 5 22.035 -9.786 -14.788 37 HE3 LYS 5 1HE LYS 5 23.368 -10.929 -14.896 38 HZ1 LYS 5 3HZ LYS 5 21.728 -11.586 -13.233 39 HZ2 LYS 5 1HZ LYS 5 21.969 -10.153 -12.393 40 HZ3 LYS 5 2HZ LYS 5 23.225 -11.271 -12.516 41 H ARG 6 H ARG 6 24.217 -6.209 -16.200 42 HA ARG 6 HA ARG 6 22.931 -3.596 -15.854 43 HB2 ARG 6 2HB ARG 6 23.711 -5.030 -18.399 44 HB3 ARG 6 1HB ARG 6 23.055 -3.402 -18.283 45 HG2 ARG 6 2HG ARG 6 25.051 -2.703 -17.043 46 HG3 ARG 6 1HG ARG 6 25.710 -4.329 -17.215 47 HD2 ARG 6 2HD ARG 6 25.040 -2.419 -19.447 48 HD3 ARG 6 1HD ARG 6 26.652 -2.829 -18.860 49 HE ARG 6 HE ARG 6 25.284 -5.168 -19.631 50 HH11 ARG 6 1HH1 ARG 6 26.906 -2.349 -21.032 51 HH12 ARG 6 2HH1 ARG 6 27.286 -3.129 -22.496 52 HH21 ARG 6 1HH2 ARG 6 25.782 -6.225 -21.622 53 HH22 ARG 6 2HH2 ARG 6 26.624 -5.389 -22.847 54 H LEU 7 H LEU 7 20.810 -3.752 -15.543 55 HA LEU 7 HA LEU 7 19.474 -6.169 -16.419 56 HB2 LEU 7 2HB LEU 7 19.109 -5.448 -14.116 57 HB3 LEU 7 1HB LEU 7 18.514 -3.898 -14.676 58 HG LEU 7 HG LEU 7 16.568 -5.018 -15.683 59 HD11 LEU 7 1HD1 LEU 7 16.105 -7.363 -15.194 60 HD12 LEU 7 2HD1 LEU 7 17.692 -7.524 -14.450 61 HD13 LEU 7 3HD1 LEU 7 17.557 -7.186 -16.177 62 HD21 LEU 7 3HD2 LEU 7 15.453 -5.628 -13.590 63 HD22 LEU 7 1HD2 LEU 7 16.419 -4.166 -13.407 64 HD23 LEU 7 2HD2 LEU 7 17.017 -5.701 -12.778 65 H VAL 8 H VAL 8 18.984 -6.060 -18.489 66 HA VAL 8 HA VAL 8 18.003 -3.612 -19.634 67 HB VAL 8 HB VAL 8 18.239 -6.381 -20.870 68 HG11 VAL 8 1HG1 VAL 8 17.822 -3.691 -22.176 69 HG12 VAL 8 2HG1 VAL 8 16.617 -4.970 -22.028 70 HG13 VAL 8 3HG1 VAL 8 18.054 -5.223 -23.020 71 HG21 VAL 8 3HG2 VAL 8 20.078 -4.001 -21.083 72 HG22 VAL 8 1HG2 VAL 8 20.261 -5.524 -21.952 73 HG23 VAL 8 2HG2 VAL 8 20.411 -5.483 -20.194 74 H GLN 9 H GLN 9 16.056 -3.110 -18.884 75 HA GLN 9 HA GLN 9 14.089 -5.182 -18.352 76 HB2 GLN 9 2HB GLN 9 13.901 -2.195 -17.936 77 HB3 GLN 9 1HB GLN 9 12.771 -3.401 -17.344 78 HG2 GLN 9 2HG GLN 9 14.564 -4.338 -15.939 79 HG3 GLN 9 1HG GLN 9 15.633 -3.044 -16.485 80 HE21 GLN 9 1HE2 GLN 9 15.883 -2.148 -14.467 81 HE22 GLN 9 2HE2 GLN 9 14.626 -1.340 -13.629 82 H ARG 10 H ARG 10 12.862 -5.804 -19.996 83 HA ARG 10 HA ARG 10 11.975 -3.709 -21.806 84 HB2 ARG 10 2HB ARG 10 12.558 -6.594 -22.511 85 HB3 ARG 10 1HB ARG 10 11.783 -5.450 -23.592 86 HG2 ARG 10 2HG ARG 10 14.588 -5.270 -22.504 87 HG3 ARG 10 1HG ARG 10 14.121 -5.667 -24.161 88 HD2 ARG 10 2HD ARG 10 13.157 -3.438 -24.443 89 HD3 ARG 10 1HD ARG 10 13.539 -3.050 -22.769 90 HE ARG 10 HE ARG 10 15.689 -3.764 -24.589 91 HH11 ARG 10 1HH1 ARG 10 14.107 -1.314 -22.574 92 HH12 ARG 10 2HH1 ARG 10 15.336 -0.147 -22.745 93 HH21 ARG 10 1HH2 ARG 10 17.423 -2.161 -24.798 94 HH22 ARG 10 2HH2 ARG 10 17.245 -0.638 -24.058 95 H VAL 11 H VAL 11 9.982 -3.341 -21.804 96 HA VAL 11 HA VAL 11 8.281 -5.070 -20.302 97 HB VAL 11 HB VAL 11 6.461 -3.321 -20.773 98 HG11 VAL 11 1HG1 VAL 11 7.390 -1.740 -19.134 99 HG12 VAL 11 2HG1 VAL 11 8.986 -2.460 -19.357 100 HG13 VAL 11 3HG1 VAL 11 7.675 -3.416 -18.666 101 HG21 VAL 11 3HG2 VAL 11 7.501 -2.296 -22.760 102 HG22 VAL 11 1HG2 VAL 11 8.845 -1.740 -21.763 103 HG23 VAL 11 2HG2 VAL 11 7.228 -1.101 -21.489 104 H GLU 12 H GLU 12 8.446 -6.806 -21.568 105 HA GLU 12 HA GLU 12 7.490 -6.975 -24.205 106 HB2 GLU 12 2HB GLU 12 7.321 -9.450 -23.696 107 HB3 GLU 12 1HB GLU 12 8.899 -8.721 -23.460 108 HG2 GLU 12 2HG GLU 12 8.528 -8.653 -21.059 109 HG3 GLU 12 1HG GLU 12 6.907 -9.312 -21.284 110 H ARG 13 H ARG 13 5.956 -7.130 -21.136 111 HA ARG 13 HA ARG 13 3.367 -7.862 -22.071 112 HB2 ARG 13 2HB ARG 13 2.605 -7.091 -19.796 113 HB3 ARG 13 1HB ARG 13 3.899 -8.274 -19.738 114 HG2 ARG 13 2HG ARG 13 5.515 -6.449 -19.343 115 HG3 ARG 13 1HG ARG 13 4.185 -5.296 -19.351 116 HD2 ARG 13 2HD ARG 13 4.571 -7.570 -17.399 117 HD3 ARG 13 1HD ARG 13 4.850 -5.868 -17.075 118 HE ARG 13 HE ARG 13 2.263 -7.179 -17.470 119 HH11 ARG 13 1HH1 ARG 13 4.074 -4.264 -16.509 120 HH12 ARG 13 2HH1 ARG 13 2.768 -3.597 -15.636 121 HH21 ARG 13 1HH2 ARG 13 0.542 -6.281 -16.239 122 HH22 ARG 13 2HH2 ARG 13 0.711 -4.751 -15.466 123 H LYS 14 H LYS 14 2.661 -6.613 -23.666 124 HA LYS 14 HA LYS 14 2.944 -3.732 -23.496 125 HB2 LYS 14 2HB LYS 14 3.486 -5.116 -25.573 126 HB3 LYS 14 1HB LYS 14 1.756 -5.321 -25.769 127 HG2 LYS 14 2HG LYS 14 1.518 -2.859 -25.943 128 HG3 LYS 14 1HG LYS 14 3.261 -2.717 -25.799 129 HD2 LYS 14 2HD LYS 14 3.566 -4.056 -27.816 130 HD3 LYS 14 1HD LYS 14 1.814 -4.211 -27.973 131 HE2 LYS 14 2HE LYS 14 1.649 -1.762 -28.155 132 HE3 LYS 14 1HE LYS 14 3.403 -1.655 -28.076 133 HZ1 LYS 14 3HZ LYS 14 3.537 -2.937 -30.132 134 HZ2 LYS 14 1HZ LYS 14 2.576 -1.570 -30.366 135 HZ3 LYS 14 2HZ LYS 14 1.863 -3.081 -30.174 136 H LEU 15 H LEU 15 0.187 -5.820 -24.543 137 HA LEU 15 HA LEU 15 -1.490 -3.890 -23.125 138 HB2 LEU 15 2HB LEU 15 -2.268 -5.690 -25.424 139 HB3 LEU 15 1HB LEU 15 -3.445 -4.860 -24.437 140 HG LEU 15 HG LEU 15 -2.269 -2.701 -25.161 141 HD11 LEU 15 1HD1 LEU 15 -0.263 -3.701 -26.035 142 HD12 LEU 15 2HD1 LEU 15 -1.102 -2.757 -27.268 143 HD13 LEU 15 3HD1 LEU 15 -1.192 -4.521 -27.292 144 HD21 LEU 15 3HD2 LEU 15 -4.475 -3.321 -25.931 145 HD22 LEU 15 1HD2 LEU 15 -3.782 -4.352 -27.183 146 HD23 LEU 15 2HD2 LEU 15 -3.548 -2.606 -27.249 147 H GLU 16 H GLU 16 -1.246 -4.724 -21.155 148 HA GLU 16 HA GLU 16 -2.665 -7.252 -20.717 149 HB2 GLU 16 2HB GLU 16 -0.196 -7.364 -20.275 150 HB3 GLU 16 1HB GLU 16 -0.417 -6.131 -19.043 151 HG2 GLU 16 2HG GLU 16 -2.051 -7.679 -17.934 152 HG3 GLU 16 1HG GLU 16 -1.519 -8.919 -19.065 153 H GLN 17 H GLN 17 -4.361 -7.056 -19.356 154 HA GLN 17 HA GLN 17 -4.920 -4.409 -18.335 155 HB2 GLN 17 2HB GLN 17 -6.664 -5.550 -19.611 156 HB3 GLN 17 1HB GLN 17 -6.618 -6.905 -18.494 157 HG2 GLN 17 2HG GLN 17 -8.551 -5.510 -18.069 158 HG3 GLN 17 1HG GLN 17 -7.437 -5.449 -16.705 159 HE21 GLN 17 1HE2 GLN 17 -8.821 -3.692 -19.345 160 HE22 GLN 17 2HE2 GLN 17 -8.282 -2.133 -18.825 161 H THR 18 H THR 18 -4.805 -3.891 -16.254 162 HA THR 18 HA THR 18 -4.300 -5.971 -14.313 163 HB THR 18 HB THR 18 -4.103 -3.893 -12.760 164 HG1 THR 18 1HG THR 18 -3.516 -2.442 -15.067 165 HG21 THR 18 3HG2 THR 18 -2.143 -4.213 -15.038 166 HG22 THR 18 1HG2 THR 18 -2.149 -5.138 -13.537 167 HG23 THR 18 2HG2 THR 18 -1.811 -3.405 -13.506 168 H VAL 19 H VAL 19 -6.112 -6.961 -13.894 169 HA VAL 19 HA VAL 19 -8.608 -5.636 -14.242 170 HB VAL 19 HB VAL 19 -8.145 -8.445 -13.224 171 HG11 VAL 19 1HG1 VAL 19 -10.411 -7.638 -12.900 172 HG12 VAL 19 2HG1 VAL 19 -10.374 -8.875 -14.154 173 HG13 VAL 19 3HG1 VAL 19 -10.506 -7.174 -14.596 174 HG21 VAL 19 3HG2 VAL 19 -6.977 -8.143 -15.346 175 HG22 VAL 19 1HG2 VAL 19 -8.450 -7.504 -16.073 176 HG23 VAL 19 2HG2 VAL 19 -8.388 -9.185 -15.538 177 H GLY 20 H GLY 20 -9.542 -4.494 -12.747 178 HA2 GLY 20 2HA GLY 20 -8.894 -4.978 -9.926 179 HA3 GLY 20 1HA GLY 20 -9.595 -3.500 -10.580 180 H ASP 21 H ASP 21 -10.657 -6.664 -11.433 181 HA ASP 21 HA ASP 21 -13.384 -6.051 -10.882 182 HB2 ASP 21 2HB ASP 21 -12.846 -7.532 -12.724 183 HB3 ASP 21 1HB ASP 21 -12.056 -8.659 -11.634 184 H ALA 22 H ALA 22 -10.935 -7.854 -9.314 185 HA ALA 22 HA ALA 22 -12.443 -9.035 -7.263 186 HB1 ALA 22 1HB ALA 22 -9.599 -8.026 -7.091 187 HB2 ALA 22 2HB ALA 22 -10.084 -9.619 -7.674 188 HB3 ALA 22 3HB ALA 22 -10.354 -9.177 -5.989 189 H PHE 23 H PHE 23 -10.885 -5.933 -7.449 190 HA PHE 23 HA PHE 23 -11.651 -5.034 -4.892 191 HB2 PHE 23 2HB PHE 23 -10.740 -3.722 -7.370 192 HB3 PHE 23 1HB PHE 23 -11.103 -2.746 -5.928 193 HD1 PHE 23 2HD PHE 23 -9.807 -3.339 -3.809 194 HD2 PHE 23 1HD PHE 23 -8.674 -4.727 -7.669 195 HE1 PHE 23 2HE PHE 23 -7.550 -3.818 -2.966 196 HE2 PHE 23 1HE PHE 23 -6.412 -5.215 -6.831 197 HZ PHE 23 HZ PHE 23 -5.847 -4.758 -4.479 198 H ALA 24 H ALA 24 -13.238 -5.057 -7.971 199 HA ALA 24 HA ALA 24 -15.241 -3.156 -7.379 200 HB1 ALA 24 1HB ALA 24 -14.789 -3.905 -9.677 201 HB2 ALA 24 2HB ALA 24 -16.485 -4.149 -9.253 202 HB3 ALA 24 3HB ALA 24 -15.373 -5.517 -9.261 203 H ARG 25 H ARG 25 -14.934 -6.610 -6.807 204 HA ARG 25 HA ARG 25 -17.596 -6.825 -5.744 205 HB2 ARG 25 2HB ARG 25 -15.322 -8.813 -5.552 206 HB3 ARG 25 1HB ARG 25 -17.029 -9.123 -5.281 207 HG2 ARG 25 2HG ARG 25 -15.733 -8.419 -7.915 208 HG3 ARG 25 1HG ARG 25 -16.345 -9.997 -7.434 209 HD2 ARG 25 2HD ARG 25 -18.028 -7.505 -7.769 210 HD3 ARG 25 1HD ARG 25 -17.864 -8.778 -8.967 211 HE ARG 25 HE ARG 25 -18.733 -9.915 -6.552 212 HH11 ARG 25 1HH1 ARG 25 -19.961 -7.824 -9.142 213 HH12 ARG 25 2HH1 ARG 25 -21.588 -8.283 -8.937 214 HH21 ARG 25 1HH2 ARG 25 -21.002 -10.539 -6.265 215 HH22 ARG 25 2HH2 ARG 25 -22.190 -9.837 -7.235 216 H ILE 26 H ILE 26 -14.482 -6.019 -4.572 217 HA ILE 26 HA ILE 26 -14.869 -6.530 -1.813 218 HB ILE 26 HB ILE 26 -13.117 -4.475 -3.197 219 HG12 ILE 26 2HG1 ILE 26 -12.463 -6.780 -3.696 220 HG13 ILE 26 1HG1 ILE 26 -11.244 -5.990 -2.703 221 HG21 ILE 26 1HG2 ILE 26 -13.530 -3.682 -0.966 222 HG22 ILE 26 2HG2 ILE 26 -11.864 -4.239 -1.100 223 HG23 ILE 26 3HG2 ILE 26 -13.066 -5.243 -0.287 224 HD11 ILE 26 3HD1 ILE 26 -11.579 -8.275 -2.011 225 HD12 ILE 26 1HD1 ILE 26 -13.303 -7.986 -1.765 226 HD13 ILE 26 2HD1 ILE 26 -12.116 -7.172 -0.745 227 H PHE 27 H PHE 27 -15.161 -3.511 -3.684 228 HA PHE 27 HA PHE 27 -16.284 -2.092 -1.458 229 HB2 PHE 27 2HB PHE 27 -15.985 -1.359 -4.352 230 HB3 PHE 27 1HB PHE 27 -16.649 -0.276 -3.143 231 HD1 PHE 27 1HD PHE 27 -15.204 0.446 -1.247 232 HD2 PHE 27 2HD PHE 27 -13.664 -1.623 -4.620 233 HE1 PHE 27 1HE PHE 27 -12.953 1.226 -0.688 234 HE2 PHE 27 2HE PHE 27 -11.400 -0.852 -4.072 235 HZ PHE 27 HZ PHE 27 -11.034 0.580 -2.104 236 H GLY 28 H GLY 28 -17.616 -3.714 -4.287 237 HA2 GLY 28 2HA GLY 28 -19.750 -4.460 -4.639 238 HA3 GLY 28 1HA GLY 28 -20.196 -3.822 -3.069 239 H GLY 29 H GLY 29 -20.239 -1.327 -3.073 240 HA2 GLY 29 2HA GLY 29 -22.079 -0.610 -5.248 241 HA3 GLY 29 1HA GLY 29 -22.006 0.165 -3.671 242 H SER 30 H SER 30 -19.675 1.149 -3.298 243 HA SER 30 HA SER 30 -19.289 2.936 -5.556 244 HB2 SER 30 2HB SER 30 -18.127 3.125 -2.772 245 HB3 SER 30 1HB SER 30 -18.210 4.398 -3.988 246 HG SER 30 HG SER 30 -19.869 4.795 -2.688 247 H ILE 31 H ILE 31 -18.009 1.635 -6.920 248 HA ILE 31 HA ILE 31 -15.708 0.318 -5.795 249 HB ILE 31 HB ILE 31 -16.518 0.484 -8.727 250 HG12 ILE 31 2HG1 ILE 31 -16.942 -2.027 -8.391 251 HG13 ILE 31 1HG1 ILE 31 -16.904 -1.691 -6.668 252 HG21 ILE 31 1HG2 ILE 31 -14.900 -1.336 -9.095 253 HG22 ILE 31 2HG2 ILE 31 -14.347 -1.149 -7.428 254 HG23 ILE 31 3HG2 ILE 31 -14.148 0.173 -8.580 255 HD11 ILE 31 3HD1 ILE 31 -19.158 -1.818 -7.489 256 HD12 ILE 31 1HD1 ILE 31 -18.827 -0.548 -8.670 257 HD13 ILE 31 2HD1 ILE 31 -18.793 -0.183 -6.943 258 H VAL 32 H VAL 32 -14.518 2.021 -4.996 259 HA VAL 32 HA VAL 32 -13.063 3.336 -7.143 260 HB VAL 32 HB VAL 32 -12.690 5.303 -5.514 261 HG11 VAL 32 1HG1 VAL 32 -15.461 4.817 -6.605 262 HG12 VAL 32 2HG1 VAL 32 -14.098 5.504 -7.492 263 HG13 VAL 32 3HG1 VAL 32 -14.805 6.387 -6.141 264 HG21 VAL 32 3HG2 VAL 32 -13.517 4.228 -3.474 265 HG22 VAL 32 1HG2 VAL 32 -15.118 4.072 -4.196 266 HG23 VAL 32 2HG2 VAL 32 -14.465 5.670 -3.841 267 HA PRO 33 HA PRO 33 -9.772 1.358 -4.694 268 HB2 PRO 33 2HB PRO 33 -8.796 0.252 -7.182 269 HB3 PRO 33 1HB PRO 33 -9.470 -0.618 -5.802 270 HG2 PRO 33 2HG PRO 33 -10.711 -0.466 -8.240 271 HG3 PRO 33 1HG PRO 33 -11.582 -0.672 -6.708 272 HD2 PRO 33 2HD PRO 33 -11.114 1.825 -8.299 273 HD3 PRO 33 1HD PRO 33 -12.604 1.257 -7.511 274 H GLN 34 H GLN 34 -9.512 2.645 -8.011 275 HA GLN 34 HA GLN 34 -6.827 3.495 -7.717 276 HB2 GLN 34 2HB GLN 34 -8.898 4.099 -9.841 277 HB3 GLN 34 1HB GLN 34 -7.271 4.741 -9.894 278 HG2 GLN 34 2HG GLN 34 -7.377 2.851 -11.344 279 HG3 GLN 34 1HG GLN 34 -6.406 2.409 -9.950 280 HE21 GLN 34 1HE2 GLN 34 -6.726 0.252 -10.254 281 HE22 GLN 34 2HE2 GLN 34 -8.220 -0.549 -9.955 282 H GLU 35 H GLU 35 -9.799 4.805 -6.853 283 HA GLU 35 HA GLU 35 -9.209 7.566 -6.803 284 HB2 GLU 35 2HB GLU 35 -11.455 6.563 -6.443 285 HB3 GLU 35 1HB GLU 35 -10.903 5.985 -4.867 286 HG2 GLU 35 2HG GLU 35 -12.232 7.956 -4.557 287 HG3 GLU 35 1HG GLU 35 -10.555 8.342 -4.194 288 H VAL 36 H VAL 36 -8.827 4.996 -4.371 289 HA VAL 36 HA VAL 36 -7.542 6.606 -2.439 290 HB VAL 36 HB VAL 36 -7.516 3.577 -2.806 291 HG11 VAL 36 1HG1 VAL 36 -6.559 5.207 -0.443 292 HG12 VAL 36 2HG1 VAL 36 -5.533 4.272 -1.531 293 HG13 VAL 36 3HG1 VAL 36 -6.695 3.449 -0.492 294 HG21 VAL 36 3HG2 VAL 36 -9.703 4.537 -2.269 295 HG22 VAL 36 1HG2 VAL 36 -8.967 5.345 -0.874 296 HG23 VAL 36 2HG2 VAL 36 -9.037 3.587 -0.922 297 H GLU 37 H GLU 37 -6.312 4.431 -4.949 298 HA GLU 37 HA GLU 37 -3.588 4.647 -4.486 299 HB2 GLU 37 2HB GLU 37 -5.033 4.467 -7.127 300 HB3 GLU 37 1HB GLU 37 -3.297 4.286 -6.941 301 HG2 GLU 37 2HG GLU 37 -3.641 2.336 -5.525 302 HG3 GLU 37 1HG GLU 37 -5.388 2.523 -5.695 303 H ALA 38 H ALA 38 -5.520 6.685 -6.660 304 HA ALA 38 HA ALA 38 -3.412 8.443 -7.306 305 HB1 ALA 38 1HB ALA 38 -6.374 8.963 -7.430 306 HB2 ALA 38 2HB ALA 38 -5.411 8.208 -8.700 307 HB3 ALA 38 3HB ALA 38 -5.124 9.890 -8.256 308 H LEU 39 H LEU 39 -5.595 8.356 -4.612 309 HA LEU 39 HA LEU 39 -5.250 11.056 -3.793 310 HB2 LEU 39 2HB LEU 39 -7.098 9.397 -3.093 311 HB3 LEU 39 1HB LEU 39 -5.925 8.694 -2.018 312 HG LEU 39 HG LEU 39 -7.528 10.158 -0.858 313 HD11 LEU 39 1HD1 LEU 39 -5.348 9.881 0.142 314 HD12 LEU 39 2HD1 LEU 39 -5.989 11.497 0.446 315 HD13 LEU 39 3HD1 LEU 39 -4.736 11.259 -0.776 316 HD21 LEU 39 3HD2 LEU 39 -7.961 11.751 -2.640 317 HD22 LEU 39 1HD2 LEU 39 -6.324 12.388 -2.491 318 HD23 LEU 39 2HD2 LEU 39 -7.470 12.580 -1.165 319 H LEU 40 H LEU 40 -3.731 7.982 -2.875 320 HA LEU 40 HA LEU 40 -1.921 9.295 -1.131 321 HB2 LEU 40 2HB LEU 40 -2.030 6.462 -2.098 322 HB3 LEU 40 1HB LEU 40 -0.646 7.041 -1.201 323 HG LEU 40 HG LEU 40 -2.051 5.912 0.342 324 HD11 LEU 40 1HD1 LEU 40 -2.476 8.841 0.766 325 HD12 LEU 40 2HD1 LEU 40 -1.036 7.912 1.159 326 HD13 LEU 40 3HD1 LEU 40 -2.555 7.557 1.979 327 HD21 LEU 40 3HD2 LEU 40 -4.328 7.635 -0.614 328 HD22 LEU 40 1HD2 LEU 40 -4.384 6.518 0.757 329 HD23 LEU 40 2HD2 LEU 40 -4.123 5.898 -0.870 330 H ARG 41 H ARG 41 -1.710 8.428 -4.497 331 HA ARG 41 HA ARG 41 1.079 8.935 -4.747 332 HB2 ARG 41 2HB ARG 41 -0.977 9.587 -6.886 333 HB3 ARG 41 1HB ARG 41 0.730 9.290 -7.148 334 HG2 ARG 41 2HG ARG 41 0.404 6.968 -6.437 335 HG3 ARG 41 1HG ARG 41 -1.329 7.294 -6.325 336 HD2 ARG 41 2HD ARG 41 0.417 7.429 -8.775 337 HD3 ARG 41 1HD ARG 41 -0.906 6.312 -8.461 338 HE ARG 41 HE ARG 41 -1.555 9.138 -8.537 339 HH11 ARG 41 1HH1 ARG 41 -1.555 6.060 -10.325 340 HH12 ARG 41 2HH1 ARG 41 -2.595 6.642 -11.540 341 HH21 ARG 41 1HH2 ARG 41 -2.941 9.894 -10.172 342 HH22 ARG 41 2HH2 ARG 41 -3.462 8.871 -11.435 343 H ARG 42 H ARG 42 -1.764 11.013 -4.872 344 HA ARG 42 HA ARG 42 -0.399 13.417 -5.353 345 HB2 ARG 42 2HB ARG 42 -2.786 13.413 -5.652 346 HB3 ARG 42 1HB ARG 42 -3.053 12.922 -3.981 347 HG2 ARG 42 2HG ARG 42 -2.161 15.035 -3.193 348 HG3 ARG 42 1HG ARG 42 -1.819 15.537 -4.835 349 HD2 ARG 42 2HD ARG 42 -4.201 15.541 -5.335 350 HD3 ARG 42 1HD ARG 42 -4.557 14.952 -3.707 351 HE ARG 42 HE ARG 42 -3.061 17.192 -3.331 352 HH11 ARG 42 1HH1 ARG 42 -6.122 16.568 -5.007 353 HH12 ARG 42 2HH1 ARG 42 -6.767 18.108 -4.696 354 HH21 ARG 42 1HH2 ARG 42 -3.950 19.277 -2.855 355 HH22 ARG 42 2HH2 ARG 42 -5.499 19.693 -3.404 356 H GLU 43 H GLU 43 -1.307 11.780 -2.349 357 HA GLU 43 HA GLU 43 -0.436 13.781 -0.585 358 HB2 GLU 43 2HB GLU 43 -1.862 11.896 0.120 359 HB3 GLU 43 1HB GLU 43 -0.534 10.784 -0.165 360 HG2 GLU 43 2HG GLU 43 -0.719 11.174 2.190 361 HG3 GLU 43 1HG GLU 43 0.756 11.926 1.601 362 H ALA 44 H ALA 44 1.244 11.072 -2.060 363 HA ALA 44 HA ALA 44 3.694 11.391 -0.758 364 HB1 ALA 44 1HB ALA 44 3.133 10.303 -3.512 365 HB2 ALA 44 2HB ALA 44 3.082 9.383 -2.012 366 HB3 ALA 44 3HB ALA 44 4.618 10.041 -2.590 367 H ALA 45 H ALA 45 2.481 12.677 -3.814 368 HA ALA 45 HA ALA 45 4.855 14.085 -4.507 369 HB1 ALA 45 1HB ALA 45 3.533 15.068 -6.280 370 HB2 ALA 45 2HB ALA 45 2.049 14.511 -5.504 371 HB3 ALA 45 3HB ALA 45 3.190 13.340 -6.154 372 H ASP 46 H ASP 46 2.028 14.891 -2.700 373 HA ASP 46 HA ASP 46 2.510 17.730 -2.663 374 HB2 ASP 46 2HB ASP 46 0.227 16.840 -2.533 375 HB3 ASP 46 1HB ASP 46 0.626 16.011 -1.039 376 H GLY 47 H GLY 47 3.065 14.990 -0.534 377 HA2 GLY 47 2HA GLY 47 4.114 16.660 1.575 378 HA3 GLY 47 1HA GLY 47 3.963 14.912 1.582 379 H ILE 48 H ILE 48 5.438 16.320 -1.135 380 HA ILE 48 HA ILE 48 7.915 15.043 -0.735 381 HB ILE 48 HB ILE 48 6.840 17.027 -2.708 382 HG12 ILE 48 2HG1 ILE 48 6.233 14.707 -3.007 383 HG13 ILE 48 1HG1 ILE 48 7.244 15.252 -4.342 384 HG21 ILE 48 1HG2 ILE 48 9.079 17.795 -2.433 385 HG22 ILE 48 2HG2 ILE 48 8.900 17.001 -4.001 386 HG23 ILE 48 3HG2 ILE 48 9.705 16.163 -2.667 387 HD11 ILE 48 3HD1 ILE 48 8.079 13.508 -2.024 388 HD12 ILE 48 1HD1 ILE 48 9.170 14.133 -3.265 389 HD13 ILE 48 2HD1 ILE 48 7.868 13.034 -3.705 390 H GLN 49 H GLN 49 9.810 15.785 0.005 391 HA GLN 49 HA GLN 49 9.859 18.529 0.983 392 HB2 GLN 49 2HB GLN 49 11.097 16.059 2.131 393 HB3 GLN 49 1HB GLN 49 11.654 17.675 2.561 394 HG2 GLN 49 2HG GLN 49 9.460 18.196 3.367 395 HG3 GLN 49 1HG GLN 49 8.890 16.583 2.925 396 HE21 GLN 49 1HE2 GLN 49 8.403 16.082 5.024 397 HE22 GLN 49 2HE2 GLN 49 9.591 15.741 6.230 398 H SER 50 H SER 50 11.611 19.663 0.636 399 HA SER 50 HA SER 50 13.099 18.953 -1.697 400 HB2 SER 50 2HB SER 50 12.231 21.268 -1.168 401 HB3 SER 50 1HB SER 50 13.407 21.344 0.137 402 HG SER 50 HG SER 50 14.400 22.280 -1.441 403 H LEU 51 H LEU 51 14.918 18.017 -1.750 404 HA LEU 51 HA LEU 51 16.755 17.940 0.512 405 HB2 LEU 51 2HB LEU 51 15.085 15.935 0.388 406 HB3 LEU 51 1HB LEU 51 15.943 15.481 -1.063 407 HG LEU 51 HG LEU 51 18.015 15.180 0.295 408 HD11 LEU 51 1HD1 LEU 51 17.491 16.748 2.098 409 HD12 LEU 51 2HD1 LEU 51 17.826 15.137 2.725 410 HD13 LEU 51 3HD1 LEU 51 16.163 15.712 2.611 411 HD21 LEU 51 3HD2 LEU 51 17.321 13.132 1.356 412 HD22 LEU 51 1HD2 LEU 51 16.482 13.307 -0.182 413 HD23 LEU 51 2HD2 LEU 51 15.639 13.647 1.333 414 H GLN 52 H GLN 52 18.654 16.284 -0.794 415 HA GLN 52 HA GLN 52 19.885 17.899 -2.664 416 HB2 GLN 52 2HB GLN 52 20.073 14.887 -2.461 417 HB3 GLN 52 1HB GLN 52 21.168 15.901 -3.372 418 HG2 GLN 52 2HG GLN 52 21.960 16.958 -1.368 419 HG3 GLN 52 1HG GLN 52 20.769 16.098 -0.400 420 HE21 GLN 52 1HE2 GLN 52 21.105 13.567 -1.793 421 HE22 GLN 52 2HE2 GLN 52 22.615 12.936 -1.285 422 H GLY 53 H GLY 53 20.027 17.899 -4.915 423 HA2 GLY 53 2HA GLY 53 17.522 17.845 -6.160 424 HA3 GLY 53 1HA GLY 53 19.052 18.126 -6.958 425 H ASN 54 H ASN 54 19.824 15.425 -5.826 426 HA ASN 54 HA ASN 54 19.392 13.903 -8.122 427 HB2 ASN 54 2HB ASN 54 20.227 13.008 -5.371 428 HB3 ASN 54 1HB ASN 54 20.140 11.911 -6.740 429 HD21 ASN 54 1HD2 ASN 54 21.920 14.446 -5.198 430 HD22 ASN 54 2HD2 ASN 54 23.244 14.411 -6.292 431 H ARG 55 H ARG 55 17.663 14.004 -5.049 432 HA ARG 55 HA ARG 55 15.375 12.890 -6.142 433 HB2 ARG 55 2HB ARG 55 15.253 10.822 -4.664 434 HB3 ARG 55 1HB ARG 55 16.343 10.739 -6.036 435 HG2 ARG 55 2HG ARG 55 18.216 11.197 -4.582 436 HG3 ARG 55 1HG ARG 55 17.117 11.290 -3.200 437 HD2 ARG 55 2HD ARG 55 18.207 9.090 -3.301 438 HD3 ARG 55 1HD ARG 55 16.472 8.961 -3.536 439 HE ARG 55 HE ARG 55 17.912 9.136 -5.999 440 HH11 ARG 55 1HH1 ARG 55 16.788 6.845 -3.485 441 HH12 ARG 55 2HH1 ARG 55 16.925 5.505 -4.477 442 HH21 ARG 55 1HH2 ARG 55 18.115 7.253 -7.336 443 HH22 ARG 55 2HH2 ARG 55 17.719 5.720 -6.730 444 H LEU 56 H LEU 56 13.657 13.291 -4.966 445 HA LEU 56 HA LEU 56 13.899 15.078 -2.628 446 HB2 LEU 56 2HB LEU 56 11.577 14.330 -4.401 447 HB3 LEU 56 1HB LEU 56 11.557 15.521 -3.113 448 HG LEU 56 HG LEU 56 13.261 15.740 -5.600 449 HD11 LEU 56 1HD1 LEU 56 10.860 15.904 -6.106 450 HD12 LEU 56 2HD1 LEU 56 11.705 17.435 -6.326 451 HD13 LEU 56 3HD1 LEU 56 10.714 17.178 -4.893 452 HD21 LEU 56 3HD2 LEU 56 12.664 17.681 -3.372 453 HD22 LEU 56 1HD2 LEU 56 13.543 18.066 -4.850 454 HD23 LEU 56 2HD2 LEU 56 14.217 16.911 -3.704 455 H LEU 57 H LEU 57 12.685 14.818 -0.811 456 HA LEU 57 HA LEU 57 12.491 12.055 0.032 457 HB2 LEU 57 2HB LEU 57 13.644 13.747 1.429 458 HB3 LEU 57 1HB LEU 57 12.156 14.641 1.550 459 HG LEU 57 HG LEU 57 11.145 12.873 2.878 460 HD11 LEU 57 1HD1 LEU 57 12.451 10.955 3.603 461 HD12 LEU 57 2HD1 LEU 57 13.804 11.486 2.602 462 HD13 LEU 57 3HD1 LEU 57 12.280 11.002 1.846 463 HD21 LEU 57 3HD2 LEU 57 12.381 14.615 4.029 464 HD22 LEU 57 1HD2 LEU 57 13.881 13.707 3.829 465 HD23 LEU 57 2HD2 LEU 57 12.602 13.070 4.853 466 H ALA 58 H ALA 58 10.626 10.992 0.220 467 HA ALA 58 HA ALA 58 8.110 12.475 -0.025 468 HB1 ALA 58 1HB ALA 58 8.601 11.061 -1.968 469 HB2 ALA 58 2HB ALA 58 7.224 10.415 -1.076 470 HB3 ALA 58 3HB ALA 58 8.809 9.664 -0.913 471 HA PRO 59 HA PRO 59 6.758 10.794 3.905 472 HB2 PRO 59 2HB PRO 59 4.226 9.977 2.605 473 HB3 PRO 59 1HB PRO 59 4.481 11.060 3.977 474 HG2 PRO 59 2HG PRO 59 3.780 12.024 1.596 475 HG3 PRO 59 1HG PRO 59 4.956 12.877 2.618 476 HD2 PRO 59 2HD PRO 59 5.445 11.129 0.233 477 HD3 PRO 59 1HD PRO 59 6.200 12.679 0.674 478 H ASN 60 H ASN 60 6.475 8.898 5.011 479 HA ASN 60 HA ASN 60 6.473 6.434 3.428 480 HB2 ASN 60 2HB ASN 60 8.155 5.464 4.949 481 HB3 ASN 60 1HB ASN 60 8.773 6.850 4.068 482 HD21 ASN 60 1HD2 ASN 60 9.831 5.763 6.449 483 HD22 ASN 60 2HD2 ASN 60 9.779 7.005 7.640 484 H GLU 61 H GLU 61 5.243 8.164 6.101 485 HA GLU 61 HA GLU 61 4.009 5.706 7.072 486 HB2 GLU 61 2HB GLU 61 5.420 6.990 8.715 487 HB3 GLU 61 1HB GLU 61 4.334 8.354 8.508 488 HG2 GLU 61 2HG GLU 61 2.485 7.003 9.381 489 HG3 GLU 61 1HG GLU 61 3.590 5.646 9.591 490 H TYR 62 H TYR 62 2.021 5.511 6.343 491 HA TYR 62 HA TYR 62 0.460 7.954 5.820 492 HB2 TYR 62 2HB TYR 62 0.380 5.358 4.278 493 HB3 TYR 62 1HB TYR 62 -0.705 6.709 4.024 494 HD1 TYR 62 1HD TYR 62 2.793 5.575 3.644 495 HD2 TYR 62 2HD TYR 62 -0.030 8.622 2.781 496 HE1 TYR 62 1HE TYR 62 4.345 6.542 2.005 497 HE2 TYR 62 2HE TYR 62 1.512 9.598 1.136 498 HH TYR 62 HH TYR 62 4.406 7.980 0.155 499 H ILE 63 H ILE 63 -1.243 8.113 7.010 500 HA ILE 63 HA ILE 63 -2.358 5.704 8.268 501 HB ILE 63 HB ILE 63 -2.775 8.611 9.091 502 HG12 ILE 63 2HG1 ILE 63 -1.453 7.905 11.181 503 HG13 ILE 63 1HG1 ILE 63 -0.898 6.528 10.242 504 HG21 ILE 63 1HG2 ILE 63 -3.758 7.695 11.136 505 HG22 ILE 63 2HG2 ILE 63 -3.541 6.068 10.494 506 HG23 ILE 63 3HG2 ILE 63 -4.638 7.191 9.693 507 HD11 ILE 63 3HD1 ILE 63 0.762 8.301 10.281 508 HD12 ILE 63 1HD1 ILE 63 -0.409 9.441 9.618 509 HD13 ILE 63 2HD1 ILE 63 0.149 8.080 8.646 510 H ILE 64 H ILE 64 -4.031 4.951 7.050 511 HA ILE 64 HA ILE 64 -5.816 6.919 5.819 512 HB ILE 64 HB ILE 64 -5.342 4.046 4.949 513 HG12 ILE 64 2HG1 ILE 64 -4.574 6.523 3.441 514 HG13 ILE 64 1HG1 ILE 64 -3.425 5.756 4.553 515 HG21 ILE 64 1HG2 ILE 64 -6.911 6.311 3.691 516 HG22 ILE 64 2HG2 ILE 64 -7.585 4.905 4.498 517 HG23 ILE 64 3HG2 ILE 64 -6.688 4.701 2.988 518 HD11 ILE 64 3HD1 ILE 64 -3.592 3.717 3.183 519 HD12 ILE 64 1HD1 ILE 64 -3.027 5.107 2.260 520 HD13 ILE 64 2HD1 ILE 64 -4.696 4.559 2.099 521 H THR 65 H THR 65 -7.462 7.126 7.114 522 HA THR 65 HA THR 65 -8.497 4.788 8.527 523 HB THR 65 HB THR 65 -9.043 7.712 9.030 524 HG1 THR 65 1HG THR 65 -6.993 5.954 9.791 525 HG21 THR 65 3HG2 THR 65 -10.780 6.248 9.908 526 HG22 THR 65 1HG2 THR 65 -9.812 6.849 11.240 527 HG23 THR 65 2HG2 THR 65 -9.591 5.202 10.656 528 H LEU 66 H LEU 66 -10.243 3.933 7.709 529 HA LEU 66 HA LEU 66 -11.936 5.387 5.814 530 HB2 LEU 66 2HB LEU 66 -11.353 2.511 6.321 531 HB3 LEU 66 1HB LEU 66 -12.899 2.931 5.631 532 HG LEU 66 HG LEU 66 -11.202 2.218 3.964 533 HD11 LEU 66 1HD1 LEU 66 -11.590 4.011 2.373 534 HD12 LEU 66 2HD1 LEU 66 -12.204 5.001 3.705 535 HD13 LEU 66 3HD1 LEU 66 -13.042 3.525 3.248 536 HD21 LEU 66 3HD2 LEU 66 -9.218 3.173 5.004 537 HD22 LEU 66 1HD2 LEU 66 -9.851 4.791 4.694 538 HD23 LEU 66 2HD2 LEU 66 -9.411 3.736 3.342 539 H GLY 67 H GLY 67 -14.244 5.028 5.900 540 HA2 GLY 67 2HA GLY 67 -15.375 5.366 8.453 541 HA3 GLY 67 1HA GLY 67 -16.243 5.106 6.939 542 H VAL 68 H VAL 68 -17.131 3.958 9.197 543 HA VAL 68 HA VAL 68 -16.044 1.453 9.772 544 HB VAL 68 HB VAL 68 -17.304 2.573 11.302 545 HG11 VAL 68 1HG1 VAL 68 -19.812 2.821 11.191 546 HG12 VAL 68 2HG1 VAL 68 -19.737 2.244 9.529 547 HG13 VAL 68 3HG1 VAL 68 -18.949 3.757 9.971 548 HG21 VAL 68 3HG2 VAL 68 -18.686 0.012 10.565 549 HG22 VAL 68 1HG2 VAL 68 -18.878 0.811 12.125 550 HG23 VAL 68 2HG2 VAL 68 -17.292 0.224 11.626 551 H HIS 69 H HIS 69 -18.763 2.235 7.650 552 HA HIS 69 HA HIS 69 -19.165 -0.534 7.050 553 HB2 HIS 69 2HB HIS 69 -21.055 1.078 7.024 554 HB3 HIS 69 1HB HIS 69 -20.326 1.890 5.647 555 HD1 HIS 69 1HD HIS 69 -21.689 -1.567 6.513 556 HD2 HIS 69 2HD HIS 69 -21.170 0.949 3.250 557 HE1 HIS 69 1HE HIS 69 -22.807 -2.711 4.563 558 H ASP 70 H ASP 70 -17.293 2.041 5.808 559 HA ASP 70 HA ASP 70 -16.761 1.056 3.214 560 HB2 ASP 70 2HB ASP 70 -14.970 2.739 4.978 561 HB3 ASP 70 1HB ASP 70 -14.925 2.619 3.226 562 H PHE 71 H PHE 71 -15.155 0.782 6.399 563 HA PHE 71 HA PHE 71 -12.970 -0.624 5.330 564 HB2 PHE 71 2HB PHE 71 -12.953 0.772 7.366 565 HB3 PHE 71 1HB PHE 71 -13.852 -0.499 8.198 566 HD1 PHE 71 1HD PHE 71 -10.706 0.491 6.740 567 HD2 PHE 71 2HD PHE 71 -12.779 -2.577 8.767 568 HE1 PHE 71 1HE PHE 71 -8.551 -0.619 7.237 569 HE2 PHE 71 2HE PHE 71 -10.643 -3.708 9.279 570 HZ PHE 71 HZ PHE 71 -8.534 -2.721 8.506 571 H GLU 72 H GLU 72 -16.048 -1.655 6.770 572 HA GLU 72 HA GLU 72 -15.255 -4.324 7.147 573 HB2 GLU 72 2HB GLU 72 -17.584 -4.839 7.374 574 HB3 GLU 72 1HB GLU 72 -17.174 -3.314 8.181 575 HG2 GLU 72 2HG GLU 72 -18.144 -2.096 6.308 576 HG3 GLU 72 1HG GLU 72 -18.587 -3.623 5.561 577 H LYS 73 H LYS 73 -16.434 -2.604 4.437 578 HA LYS 73 HA LYS 73 -16.783 -4.830 2.711 579 HB2 LYS 73 2HB LYS 73 -16.115 -1.972 1.975 580 HB3 LYS 73 1HB LYS 73 -16.673 -3.196 0.853 581 HG2 LYS 73 2HG LYS 73 -18.240 -2.041 3.156 582 HG3 LYS 73 1HG LYS 73 -18.461 -1.658 1.452 583 HD2 LYS 73 2HD LYS 73 -18.804 -4.397 2.652 584 HD3 LYS 73 1HD LYS 73 -20.125 -3.270 2.369 585 HE2 LYS 73 2HE LYS 73 -19.636 -3.287 -0.033 586 HE3 LYS 73 1HE LYS 73 -18.286 -4.381 0.236 587 HZ1 LYS 73 3HZ LYS 73 -21.139 -4.994 0.782 588 HZ2 LYS 73 1HZ LYS 73 -19.836 -6.018 1.078 589 HZ3 LYS 73 2HZ LYS 73 -20.217 -5.605 -0.497 590 H LEU 74 H LEU 74 -14.088 -2.861 3.587 591 HA LEU 74 HA LEU 74 -12.281 -3.918 1.630 592 HB2 LEU 74 2HB LEU 74 -11.641 -2.668 4.305 593 HB3 LEU 74 1HB LEU 74 -10.476 -3.006 3.046 594 HG LEU 74 HG LEU 74 -12.719 -0.987 2.916 595 HD11 LEU 74 1HD1 LEU 74 -10.911 -0.264 4.323 596 HD12 LEU 74 2HD1 LEU 74 -10.876 0.619 2.788 597 HD13 LEU 74 3HD1 LEU 74 -9.734 -0.690 3.078 598 HD21 LEU 74 3HD2 LEU 74 -12.358 -1.982 0.717 599 HD22 LEU 74 1HD2 LEU 74 -10.622 -1.706 0.866 600 HD23 LEU 74 2HD2 LEU 74 -11.727 -0.338 0.765 601 H GLY 75 H GLY 75 -13.152 -4.843 4.878 602 HA2 GLY 75 2HA GLY 75 -12.840 -7.470 4.874 603 HA3 GLY 75 1HA GLY 75 -11.153 -6.969 4.914 604 H ALA 76 H ALA 76 -11.315 -8.236 6.977 605 HA ALA 76 HA ALA 76 -12.497 -6.703 9.160 606 HB1 ALA 76 1HB ALA 76 -12.895 -9.128 9.122 607 HB2 ALA 76 2HB ALA 76 -12.004 -8.637 10.565 608 HB3 ALA 76 3HB ALA 76 -11.156 -9.404 9.221 609 H ASP 77 H ASP 77 -9.378 -7.966 8.083 610 HA ASP 77 HA ASP 77 -8.103 -6.073 9.918 611 HB2 ASP 77 2HB ASP 77 -7.170 -8.817 9.110 612 HB3 ASP 77 1HB ASP 77 -6.029 -7.603 9.670 613 HA PRO 78 HA PRO 78 -6.701 -4.112 6.237 614 HB2 PRO 78 2HB PRO 78 -5.054 -2.338 7.360 615 HB3 PRO 78 1HB PRO 78 -6.811 -2.209 7.511 616 HG2 PRO 78 2HG PRO 78 -4.806 -3.285 9.465 617 HG3 PRO 78 1HG PRO 78 -6.188 -2.214 9.762 618 HD2 PRO 78 2HD PRO 78 -6.231 -4.887 10.236 619 HD3 PRO 78 1HD PRO 78 -7.682 -3.971 9.797 620 H GLU 79 H GLU 79 -4.625 -5.728 8.403 621 HA GLU 79 HA GLU 79 -2.136 -4.944 7.434 622 HB2 GLU 79 2HB GLU 79 -1.255 -6.958 8.678 623 HB3 GLU 79 1HB GLU 79 -2.167 -5.773 9.596 624 HG2 GLU 79 2HG GLU 79 -4.164 -7.255 9.307 625 HG3 GLU 79 1HG GLU 79 -3.068 -8.483 8.673 626 H LEU 80 H LEU 80 -4.197 -7.351 6.091 627 HA LEU 80 HA LEU 80 -2.123 -8.532 4.501 628 HB2 LEU 80 2HB LEU 80 -4.117 -9.782 5.033 629 HB3 LEU 80 1HB LEU 80 -5.130 -8.593 4.236 630 HG LEU 80 HG LEU 80 -4.049 -9.219 2.087 631 HD11 LEU 80 1HD1 LEU 80 -2.833 -11.440 3.713 632 HD12 LEU 80 2HD1 LEU 80 -1.963 -10.117 2.940 633 HD13 LEU 80 3HD1 LEU 80 -2.801 -11.317 1.953 634 HD21 LEU 80 3HD2 LEU 80 -5.411 -11.448 3.587 635 HD22 LEU 80 1HD2 LEU 80 -5.261 -11.326 1.834 636 HD23 LEU 80 2HD2 LEU 80 -6.209 -10.131 2.722 637 H LYS 81 H LYS 81 -4.216 -5.791 4.210 638 HA LYS 81 HA LYS 81 -3.718 -5.560 1.344 639 HB2 LYS 81 2HB LYS 81 -5.527 -3.947 3.142 640 HB3 LYS 81 1HB LYS 81 -5.356 -3.697 1.411 641 HG2 LYS 81 2HG LYS 81 -6.417 -6.179 2.758 642 HG3 LYS 81 1HG LYS 81 -7.373 -4.962 1.910 643 HD2 LYS 81 2HD LYS 81 -6.188 -5.500 -0.180 644 HD3 LYS 81 1HD LYS 81 -5.238 -6.715 0.679 645 HE2 LYS 81 2HE LYS 81 -7.312 -7.907 1.232 646 HE3 LYS 81 1HE LYS 81 -8.221 -6.725 0.292 647 HZ1 LYS 81 3HZ LYS 81 -7.747 -8.760 -0.915 648 HZ2 LYS 81 1HZ LYS 81 -6.107 -8.510 -0.787 649 HZ3 LYS 81 2HZ LYS 81 -7.054 -7.455 -1.708 650 H SER 82 H SER 82 -2.966 -3.932 4.361 651 HA SER 82 HA SER 82 -1.929 -1.575 3.323 652 HB2 SER 82 2HB SER 82 -0.679 -1.556 5.523 653 HB3 SER 82 1HB SER 82 -2.430 -1.747 5.643 654 HG SER 82 HG SER 82 -1.543 -3.244 6.934 655 H THR 83 H THR 83 -0.436 -4.667 3.990 656 HA THR 83 HA THR 83 2.206 -4.126 3.419 657 HB THR 83 HB THR 83 0.663 -6.670 2.861 658 HG1 THR 83 1HG THR 83 0.390 -6.478 4.988 659 HG21 THR 83 3HG2 THR 83 2.823 -7.786 3.239 660 HG22 THR 83 1HG2 THR 83 3.593 -6.215 3.472 661 HG23 THR 83 2HG2 THR 83 2.942 -6.648 1.892 662 H GLY 84 H GLY 84 -0.371 -5.187 1.191 663 HA2 GLY 84 2HA GLY 84 1.276 -5.253 -1.114 664 HA3 GLY 84 1HA GLY 84 -0.485 -5.241 -1.088 665 H PHE 85 H PHE 85 -1.001 -2.867 0.153 666 HA PHE 85 HA PHE 85 -0.823 -1.075 -2.008 667 HB2 PHE 85 2HB PHE 85 -2.592 -1.167 -0.154 668 HB3 PHE 85 1HB PHE 85 -1.447 -0.269 0.833 669 HD1 PHE 85 1HD PHE 85 -3.576 -0.173 -2.147 670 HD2 PHE 85 2HD PHE 85 -1.087 2.118 0.452 671 HE1 PHE 85 1HE PHE 85 -4.433 1.894 -3.146 672 HE2 PHE 85 2HE PHE 85 -1.938 4.169 -0.554 673 HZ PHE 85 HZ PHE 85 -3.623 4.068 -2.353 674 H ALA 86 H ALA 86 1.012 -1.304 1.031 675 HA ALA 86 HA ALA 86 2.507 1.069 0.665 676 HB1 ALA 86 1HB ALA 86 4.051 0.170 2.338 677 HB2 ALA 86 2HB ALA 86 3.307 -1.421 2.188 678 HB3 ALA 86 3HB ALA 86 2.382 -0.071 2.846 679 H ARG 87 H ARG 87 2.978 -2.257 -0.360 680 HA ARG 87 HA ARG 87 5.583 -1.866 -1.324 681 HB2 ARG 87 2HB ARG 87 4.758 -4.113 -0.822 682 HB3 ARG 87 1HB ARG 87 3.559 -3.982 -2.098 683 HG2 ARG 87 2HG ARG 87 5.540 -5.363 -2.702 684 HG3 ARG 87 1HG ARG 87 5.264 -4.000 -3.789 685 HD2 ARG 87 2HD ARG 87 6.942 -2.696 -2.585 686 HD3 ARG 87 1HD ARG 87 7.226 -4.058 -1.503 687 HE ARG 87 HE ARG 87 8.447 -5.068 -3.142 688 HH11 ARG 87 1HH1 ARG 87 6.752 -2.284 -4.601 689 HH12 ARG 87 2HH1 ARG 87 7.723 -2.267 -6.003 690 HH21 ARG 87 1HH2 ARG 87 9.829 -4.934 -5.037 691 HH22 ARG 87 2HH2 ARG 87 9.528 -3.772 -6.236 692 H ASP 88 H ASP 88 2.452 -1.577 -2.826 693 HA ASP 88 HA ASP 88 3.478 -0.952 -5.417 694 HB2 ASP 88 2HB ASP 88 0.742 -0.507 -4.223 695 HB3 ASP 88 1HB ASP 88 1.149 0.072 -5.833 696 H LEU 89 H LEU 89 2.596 0.987 -2.654 697 HA LEU 89 HA LEU 89 2.860 3.498 -3.895 698 HB2 LEU 89 2HB LEU 89 1.794 2.941 -1.636 699 HB3 LEU 89 1HB LEU 89 3.408 2.855 -0.982 700 HG LEU 89 HG LEU 89 2.217 4.952 -0.416 701 HD11 LEU 89 1HD1 LEU 89 4.633 5.388 -2.137 702 HD12 LEU 89 2HD1 LEU 89 4.622 5.036 -0.407 703 HD13 LEU 89 3HD1 LEU 89 3.955 6.556 -1.006 704 HD21 LEU 89 3HD2 LEU 89 1.819 6.653 -2.113 705 HD22 LEU 89 1HD2 LEU 89 0.884 5.195 -2.431 706 HD23 LEU 89 2HD2 LEU 89 2.340 5.535 -3.371 707 H ALA 90 H ALA 90 5.173 1.464 -2.122 708 HA ALA 90 HA ALA 90 7.440 3.114 -2.299 709 HB1 ALA 90 1HB ALA 90 8.756 1.082 -1.940 710 HB2 ALA 90 2HB ALA 90 7.340 0.095 -2.295 711 HB3 ALA 90 3HB ALA 90 7.362 1.125 -0.864 712 H ASP 91 H ASP 91 6.047 0.840 -4.505 713 HA ASP 91 HA ASP 91 8.181 0.714 -6.421 714 HB2 ASP 91 2HB ASP 91 6.070 -0.839 -5.993 715 HB3 ASP 91 1HB ASP 91 5.286 0.283 -7.094 716 H TYR 92 H TYR 92 5.230 2.543 -6.123 717 HA TYR 92 HA TYR 92 5.380 4.090 -8.438 718 HB2 TYR 92 2HB TYR 92 3.928 4.185 -5.920 719 HB3 TYR 92 1HB TYR 92 4.262 5.769 -6.592 720 HD1 TYR 92 1HD TYR 92 3.637 6.100 -9.072 721 HD2 TYR 92 2HD TYR 92 2.068 2.998 -6.627 722 HE1 TYR 92 1HE TYR 92 1.670 5.978 -10.512 723 HE2 TYR 92 2HE TYR 92 0.103 2.826 -8.090 724 HH TYR 92 HH TYR 92 -0.073 4.254 -11.136 725 H ILE 93 H ILE 93 6.437 4.967 -5.127 726 HA ILE 93 HA ILE 93 7.358 7.487 -5.923 727 HB ILE 93 HB ILE 93 8.596 7.651 -3.782 728 HG12 ILE 93 2HG1 ILE 93 7.623 4.825 -3.320 729 HG13 ILE 93 1HG1 ILE 93 9.299 5.277 -3.603 730 HG21 ILE 93 1HG2 ILE 93 6.629 7.513 -2.318 731 HG22 ILE 93 2HG2 ILE 93 5.793 6.578 -3.559 732 HG23 ILE 93 3HG2 ILE 93 6.243 8.248 -3.878 733 HD11 ILE 93 3HD1 ILE 93 8.887 4.874 -1.239 734 HD12 ILE 93 1HD1 ILE 93 7.617 6.098 -1.238 735 HD13 ILE 93 2HD1 ILE 93 9.292 6.569 -1.515 736 H GLN 94 H GLN 94 9.091 4.431 -5.776 737 HA GLN 94 HA GLN 94 11.612 5.545 -6.357 738 HB2 GLN 94 2HB GLN 94 10.502 2.809 -6.873 739 HB3 GLN 94 1HB GLN 94 12.161 3.252 -7.254 740 HG2 GLN 94 2HG GLN 94 12.476 3.825 -4.845 741 HG3 GLN 94 1HG GLN 94 10.843 3.242 -4.539 742 HE21 GLN 94 1HE2 GLN 94 11.569 1.644 -3.148 743 HE22 GLN 94 2HE2 GLN 94 12.403 0.247 -3.695 744 H GLU 95 H GLU 95 8.964 4.465 -8.424 745 HA GLU 95 HA GLU 95 10.355 4.873 -10.798 746 HB2 GLU 95 2HB GLU 95 7.536 4.524 -10.066 747 HB3 GLU 95 1HB GLU 95 7.810 5.186 -11.654 748 HG2 GLU 95 2HG GLU 95 9.417 3.182 -11.943 749 HG3 GLU 95 1HG GLU 95 8.618 2.557 -10.498 750 H GLN 96 H GLN 96 8.930 7.102 -8.650 751 HA GLN 96 HA GLN 96 8.824 9.238 -10.670 752 HB2 GLN 96 2HB GLN 96 8.360 9.496 -7.722 753 HB3 GLN 96 1HB GLN 96 7.822 10.586 -8.982 754 HG2 GLN 96 2HG GLN 96 6.805 7.833 -8.336 755 HG3 GLN 96 1HG GLN 96 5.944 9.356 -8.205 756 HE21 GLN 96 1HE2 GLN 96 5.487 6.826 -9.624 757 HE22 GLN 96 2HE2 GLN 96 5.101 7.243 -11.245 758 H GLY 97 H GLY 97 11.041 7.851 -8.632 759 HA2 GLY 97 2HA GLY 97 13.268 8.412 -8.392 760 HA3 GLY 97 1HA GLY 97 12.924 9.987 -9.096 761 H TRP 98 H TRP 98 10.994 8.783 -6.455 762 HA TRP 98 HA TRP 98 12.236 10.809 -4.736 763 HB2 TRP 98 2HB TRP 98 9.522 9.498 -4.431 764 HB3 TRP 98 1HB TRP 98 10.163 10.833 -3.484 765 HD1 TRP 98 HD TRP 98 11.228 12.523 -6.067 766 HE1 TRP 98 1HE TRP 98 9.507 13.739 -7.517 767 HE3 TRP 98 3HE TRP 98 7.069 9.936 -4.661 768 HZ2 TRP 98 2HZ TRP 98 6.710 13.636 -7.978 769 HZ3 TRP 98 3HZ TRP 98 4.898 10.564 -5.640 770 HH2 TRP 98 HH TRP 98 4.730 12.379 -7.264 771 H GLN 99 H GLN 99 12.520 10.239 -2.485 772 HA GLN 99 HA GLN 99 12.718 7.338 -2.022 773 HB2 GLN 99 2HB GLN 99 14.824 7.622 -0.883 774 HB3 GLN 99 1HB GLN 99 14.958 8.205 -2.535 775 HG2 GLN 99 2HG GLN 99 14.936 10.480 -1.809 776 HG3 GLN 99 1HG GLN 99 14.466 10.011 -0.175 777 HE21 GLN 99 1HE2 GLN 99 16.782 11.559 -1.075 778 HE22 GLN 99 2HE2 GLN 99 18.154 10.695 -0.504 779 H THR 100 H THR 100 13.191 7.004 0.410 780 HA THR 100 HA THR 100 12.313 9.110 2.091 781 HB THR 100 HB THR 100 10.161 8.043 1.300 782 HG1 THR 100 1HG THR 100 9.691 8.887 3.091 783 HG21 THR 100 3HG2 THR 100 10.938 5.706 1.141 784 HG22 THR 100 1HG2 THR 100 9.546 5.836 2.218 785 HG23 THR 100 2HG2 THR 100 11.168 5.664 2.889 786 H TYR 101 H TYR 101 12.575 8.444 4.387 787 HA TYR 101 HA TYR 101 14.821 6.565 4.475 788 HB2 TYR 101 2HB TYR 101 14.153 8.873 6.319 789 HB3 TYR 101 1HB TYR 101 15.460 7.729 6.619 790 HD1 TYR 101 2HD TYR 101 17.240 7.506 4.756 791 HD2 TYR 101 1HD TYR 101 14.567 10.801 5.039 792 HE1 TYR 101 2HE TYR 101 18.743 8.832 3.346 793 HE2 TYR 101 1HE TYR 101 16.069 12.141 3.616 794 HH TYR 101 HH TYR 101 18.640 10.744 1.863 795 H GLY 102 H GLY 102 14.520 4.690 5.384 796 HA2 GLY 102 2HA GLY 102 13.719 3.359 7.201 797 HA3 GLY 102 1HA GLY 102 12.307 4.424 7.284 798 H ASP 103 H ASP 103 10.858 2.707 6.960 799 HA ASP 103 HA ASP 103 10.819 1.808 4.177 800 HB2 ASP 103 2HB ASP 103 11.324 -0.097 5.685 801 HB3 ASP 103 1HB ASP 103 9.858 0.244 6.597 802 H VAL 104 H VAL 104 8.686 1.620 3.290 803 HA VAL 104 HA VAL 104 6.992 3.661 4.395 804 HB VAL 104 HB VAL 104 7.323 3.690 1.964 805 HG11 VAL 104 1HG1 VAL 104 7.686 1.396 1.466 806 HG12 VAL 104 2HG1 VAL 104 6.288 1.971 0.536 807 HG13 VAL 104 3HG1 VAL 104 6.048 0.983 1.972 808 HG21 VAL 104 3HG2 VAL 104 5.224 4.588 2.793 809 HG22 VAL 104 1HG2 VAL 104 4.487 2.989 2.710 810 HG23 VAL 104 2HG2 VAL 104 4.975 3.807 1.229 811 H VAL 105 H VAL 105 5.391 3.379 5.645 812 HA VAL 105 HA VAL 105 4.099 0.788 5.744 813 HB VAL 105 HB VAL 105 5.505 0.874 7.695 814 HG11 VAL 105 1HG1 VAL 105 5.353 2.642 9.410 815 HG12 VAL 105 2HG1 VAL 105 4.252 3.541 8.368 816 HG13 VAL 105 3HG1 VAL 105 5.917 3.267 7.859 817 HG21 VAL 105 3HG2 VAL 105 3.857 0.714 9.515 818 HG22 VAL 105 1HG2 VAL 105 3.310 -0.095 8.046 819 HG23 VAL 105 2HG2 VAL 105 2.654 1.482 8.477 820 H VAL 106 H VAL 106 2.068 0.948 5.264 821 HA VAL 106 HA VAL 106 0.757 3.485 5.739 822 HB VAL 106 HB VAL 106 -0.714 3.036 3.926 823 HG11 VAL 106 1HG1 VAL 106 1.361 4.035 3.205 824 HG12 VAL 106 2HG1 VAL 106 0.767 2.945 1.959 825 HG13 VAL 106 3HG1 VAL 106 2.084 2.442 3.013 826 HG21 VAL 106 3HG2 VAL 106 -1.080 0.673 4.101 827 HG22 VAL 106 1HG2 VAL 106 0.585 0.334 3.624 828 HG23 VAL 106 2HG2 VAL 106 -0.536 1.033 2.461 829 H ARG 107 H ARG 107 -1.082 3.414 6.901 830 HA ARG 107 HA ARG 107 -1.915 0.765 7.825 831 HB2 ARG 107 2HB ARG 107 -2.009 3.404 9.261 832 HB3 ARG 107 1HB ARG 107 -2.906 1.991 9.773 833 HG2 ARG 107 2HG ARG 107 -0.732 0.790 9.976 834 HG3 ARG 107 1HG ARG 107 0.072 2.341 9.678 835 HD2 ARG 107 2HD ARG 107 -1.045 3.316 11.575 836 HD3 ARG 107 1HD ARG 107 -1.940 1.832 11.858 837 HE ARG 107 HE ARG 107 0.956 2.159 12.165 838 HH11 ARG 107 1HH1 ARG 107 -2.055 0.400 12.952 839 HH12 ARG 107 2HH1 ARG 107 -1.404 -0.379 14.305 840 HH21 ARG 107 1HH2 ARG 107 1.825 1.071 14.072 841 HH22 ARG 107 2HH2 ARG 107 0.836 -0.003 14.958 842 H PHE 108 H PHE 108 -4.032 0.395 8.010 843 HA PHE 108 HA PHE 108 -5.865 2.403 6.997 844 HB2 PHE 108 2HB PHE 108 -5.847 -0.576 6.371 845 HB3 PHE 108 1HB PHE 108 -7.222 0.472 6.094 846 HD1 PHE 108 1HD PHE 108 -3.755 -0.251 5.040 847 HD2 PHE 108 2HD PHE 108 -7.389 1.763 4.146 848 HE1 PHE 108 1HE PHE 108 -2.952 0.189 2.750 849 HE2 PHE 108 2HE PHE 108 -6.590 2.210 1.867 850 HZ PHE 108 HZ PHE 108 -4.369 1.417 1.166 851 H GLU 109 H GLU 109 -7.275 2.767 8.565 852 HA GLU 109 HA GLU 109 -8.068 0.477 10.161 853 HB2 GLU 109 2HB GLU 109 -8.086 1.760 12.250 854 HB3 GLU 109 1HB GLU 109 -6.459 1.604 11.614 855 HG2 GLU 109 2HG GLU 109 -8.073 4.034 11.057 856 HG3 GLU 109 1HG GLU 109 -7.320 3.860 12.628 857 H GLN 110 H GLN 110 -10.040 1.235 11.598 858 HA GLN 110 HA GLN 110 -11.664 2.880 9.815 859 HB2 GLN 110 2HB GLN 110 -13.576 1.516 10.193 860 HB3 GLN 110 1HB GLN 110 -12.274 0.451 9.697 861 HG2 GLN 110 2HG GLN 110 -11.951 -0.258 11.985 862 HG3 GLN 110 1HG GLN 110 -13.177 0.877 12.534 863 HE21 GLN 110 1HE2 GLN 110 -12.617 -2.207 11.064 864 HE22 GLN 110 2HE2 GLN 110 -14.260 -2.705 11.016 865 H SER 111 H SER 111 -13.121 4.154 10.795 866 HA SER 111 HA SER 111 -12.972 4.267 13.696 867 HB2 SER 111 2HB SER 111 -13.270 6.520 11.703 868 HB3 SER 111 1HB SER 111 -13.499 6.727 13.446 869 HG SER 111 HG SER 111 -11.225 5.489 13.138 870 H SER 112 H SER 112 -14.755 3.696 14.597 871 HA SER 112 HA SER 112 -17.025 2.809 13.246 872 HB2 SER 112 2HB SER 112 -16.851 3.598 16.150 873 HB3 SER 112 1HB SER 112 -17.924 2.397 15.423 874 HG SER 112 HG SER 112 -16.204 1.081 15.027 875 H ASN 113 H ASN 113 -16.258 5.936 14.574 876 HA ASN 113 HA ASN 113 -18.916 6.989 14.534 877 HB2 ASN 113 2HB ASN 113 -17.795 9.045 15.203 878 HB3 ASN 113 1HB ASN 113 -17.285 7.665 16.185 879 HD21 ASN 113 1HD2 ASN 113 -15.984 10.335 15.455 880 HD22 ASN 113 2HD2 ASN 113 -14.442 9.859 14.866 881 H LEU 114 H LEU 114 -16.364 6.595 12.364 882 HA LEU 114 HA LEU 114 -16.811 8.990 10.836 883 HB2 LEU 114 2HB LEU 114 -14.599 7.882 11.135 884 HB3 LEU 114 1HB LEU 114 -15.141 6.577 10.099 885 HG LEU 114 HG LEU 114 -15.366 8.271 8.249 886 HD11 LEU 114 1HD1 LEU 114 -14.245 10.427 8.562 887 HD12 LEU 114 2HD1 LEU 114 -14.021 10.061 10.272 888 HD13 LEU 114 3HD1 LEU 114 -15.644 10.259 9.616 889 HD21 LEU 114 3HD2 LEU 114 -12.962 8.478 7.856 890 HD22 LEU 114 1HD2 LEU 114 -13.371 6.871 8.448 891 HD23 LEU 114 2HD2 LEU 114 -12.643 8.051 9.537 892 H HIS 115 H HIS 115 -17.860 9.183 8.931 893 HA HIS 115 HA HIS 115 -20.036 7.340 8.564 894 HB2 HIS 115 2HB HIS 115 -19.371 9.956 7.214 895 HB3 HIS 115 1HB HIS 115 -20.821 9.018 6.882 896 HD1 HIS 115 1HD HIS 115 -22.820 9.787 8.201 897 HD2 HIS 115 2HD HIS 115 -19.237 10.724 10.093 898 HE1 HIS 115 1HE HIS 115 -23.430 11.145 10.226 899 H THR 116 H THR 116 -20.702 6.554 6.495 900 HA THR 116 HA THR 116 -18.628 5.250 5.096 901 HB THR 116 HB THR 116 -21.570 5.510 4.433 902 HG1 THR 116 1HG THR 116 -20.077 4.191 6.295 903 HG21 THR 116 3HG2 THR 116 -21.244 3.345 3.296 904 HG22 THR 116 1HG2 THR 116 -19.531 3.374 3.725 905 HG23 THR 116 2HG2 THR 116 -20.176 4.567 2.602 906 H GLY 117 H GLY 117 -17.635 5.822 3.243 907 HA2 GLY 117 2HA GLY 117 -17.359 6.921 1.205 908 HA3 GLY 117 1HA GLY 117 -18.767 7.913 1.563 909 H GLN 118 H GLN 118 -16.675 7.692 4.210 910 HA GLN 118 HA GLN 118 -15.356 10.177 3.483 911 HB2 GLN 118 2HB GLN 118 -17.301 10.423 5.100 912 HB3 GLN 118 1HB GLN 118 -16.414 9.371 6.182 913 HG2 GLN 118 2HG GLN 118 -14.626 10.940 6.342 914 HG3 GLN 118 1HG GLN 118 -15.415 11.970 5.146 915 HE21 GLN 118 1HE2 GLN 118 -18.091 11.495 6.312 916 HE22 GLN 118 2HE2 GLN 118 -18.145 12.444 7.748 917 H PHE 119 H PHE 119 -13.197 9.870 3.532 918 HA PHE 119 HA PHE 119 -12.106 8.095 5.546 919 HB2 PHE 119 2HB PHE 119 -10.760 6.820 4.048 920 HB3 PHE 119 1HB PHE 119 -12.412 6.817 3.424 921 HD1 PHE 119 2HD PHE 119 -12.957 8.097 1.370 922 HD2 PHE 119 1HD PHE 119 -8.959 7.711 2.787 923 HE1 PHE 119 2HE PHE 119 -12.100 8.767 -0.841 924 HE2 PHE 119 1HE PHE 119 -8.104 8.377 0.585 925 HZ PHE 119 HZ PHE 119 -9.675 8.906 -1.234 926 H ARG 120 H ARG 120 -9.901 8.463 5.932 927 HA ARG 120 HA ARG 120 -8.999 11.054 4.963 928 HB2 ARG 120 2HB ARG 120 -9.047 10.017 7.773 929 HB3 ARG 120 1HB ARG 120 -7.732 11.064 7.293 930 HG2 ARG 120 2HG ARG 120 -9.462 12.283 8.458 931 HG3 ARG 120 1HG ARG 120 -9.319 12.846 6.802 932 HD2 ARG 120 2HD ARG 120 -11.306 11.657 6.173 933 HD3 ARG 120 1HD ARG 120 -11.386 10.874 7.753 934 HE ARG 120 HE ARG 120 -11.934 12.893 8.734 935 HH11 ARG 120 1HH1 ARG 120 -11.731 13.236 5.211 936 HH12 ARG 120 2HH1 ARG 120 -12.843 14.512 5.107 937 HH21 ARG 120 1HH2 ARG 120 -13.494 14.700 8.592 938 HH22 ARG 120 2HH2 ARG 120 -13.877 15.363 7.081 939 H ALA 121 H ALA 121 -6.867 11.128 4.374 940 HA ALA 121 HA ALA 121 -5.209 8.837 5.073 941 HB1 ALA 121 1HB ALA 121 -4.326 8.792 2.778 942 HB2 ALA 121 2HB ALA 121 -5.490 10.032 2.315 943 HB3 ALA 121 3HB ALA 121 -6.053 8.435 2.808 944 H ARG 122 H ARG 122 -3.520 9.622 6.079 945 HA ARG 122 HA ARG 122 -2.510 12.198 5.156 946 HB2 ARG 122 2HB ARG 122 -3.608 12.481 7.362 947 HB3 ARG 122 1HB ARG 122 -2.516 11.286 8.047 948 HG2 ARG 122 2HG ARG 122 -1.810 13.586 8.589 949 HG3 ARG 122 1HG ARG 122 -0.601 12.747 7.610 950 HD2 ARG 122 2HD ARG 122 -1.500 13.825 5.603 951 HD3 ARG 122 1HD ARG 122 -2.673 14.689 6.587 952 HE ARG 122 HE ARG 122 -0.568 15.668 7.667 953 HH11 ARG 122 1HH1 ARG 122 -0.714 14.631 4.231 954 HH12 ARG 122 2HH1 ARG 122 0.293 15.857 3.705 955 HH21 ARG 122 1HH2 ARG 122 0.865 17.377 6.833 956 HH22 ARG 122 2HH2 ARG 122 1.196 17.460 5.164 957 H GLY 123 H GLY 123 -0.628 12.051 4.350 958 HA2 GLY 123 2HA GLY 123 1.154 9.878 5.179 959 HA3 GLY 123 1HA GLY 123 1.245 10.764 3.654 960 H THR 124 H THR 124 2.802 10.364 6.431 961 HA THR 124 HA THR 124 3.800 13.087 6.382 962 HB THR 124 HB THR 124 3.599 11.273 8.794 963 HG1 THR 124 1HG THR 124 1.740 12.782 7.523 964 HG21 THR 124 3HG2 THR 124 4.037 13.336 10.024 965 HG22 THR 124 1HG2 THR 124 4.075 14.229 8.491 966 HG23 THR 124 2HG2 THR 124 5.310 13.011 8.831 967 H VAL 125 H VAL 125 6.100 13.199 6.650 968 HA VAL 125 HA VAL 125 7.504 10.751 6.016 969 HB VAL 125 HB VAL 125 8.620 13.544 6.463 970 HG11 VAL 125 1HG1 VAL 125 10.284 11.791 6.771 971 HG12 VAL 125 2HG1 VAL 125 10.610 12.707 5.302 972 HG13 VAL 125 3HG1 VAL 125 9.879 11.110 5.196 973 HG21 VAL 125 3HG2 VAL 125 8.137 12.181 3.827 974 HG22 VAL 125 1HG2 VAL 125 8.737 13.808 4.079 975 HG23 VAL 125 2HG2 VAL 125 7.062 13.413 4.500 976 H ASN 126 H ASN 126 8.118 9.511 7.639 977 HA ASN 126 HA ASN 126 8.962 10.827 10.104 978 HB2 ASN 126 2HB ASN 126 7.170 9.154 10.497 979 HB3 ASN 126 1HB ASN 126 8.132 7.931 9.670 980 HD21 ASN 126 1HD2 ASN 126 8.152 6.630 11.555 981 HD22 ASN 126 2HD2 ASN 126 9.151 7.044 12.900 982 HA PRO 127 HA PRO 127 12.739 9.607 7.948 983 HB2 PRO 127 2HB PRO 127 14.067 11.517 9.705 984 HB3 PRO 127 1HB PRO 127 13.920 11.560 7.946 985 HG2 PRO 127 2HG PRO 127 12.640 13.319 9.570 986 HG3 PRO 127 1HG PRO 127 11.981 12.798 8.012 987 HD2 PRO 127 2HD PRO 127 11.265 11.891 10.770 988 HD3 PRO 127 1HD PRO 127 10.218 12.215 9.370 989 H ASP 128 H ASP 128 12.005 9.819 11.319 990 HA ASP 128 HA ASP 128 14.356 8.260 11.907 991 HB2 ASP 128 2HB ASP 128 14.069 10.238 13.341 992 HB3 ASP 128 1HB ASP 128 12.530 9.596 13.909 993 H VAL 129 H VAL 129 13.334 6.683 10.734 994 HA VAL 129 HA VAL 129 11.608 4.979 12.338 995 HB VAL 129 HB VAL 129 12.652 4.668 9.484 996 HG11 VAL 129 1HG1 VAL 129 12.360 2.487 10.570 997 HG12 VAL 129 2HG1 VAL 129 11.163 2.730 9.303 998 HG13 VAL 129 3HG1 VAL 129 10.700 2.913 10.997 999 HG21 VAL 129 3HG2 VAL 129 9.871 5.251 10.486 1000 HG22 VAL 129 1HG2 VAL 129 10.316 4.974 8.802 1001 HG23 VAL 129 2HG2 VAL 129 10.941 6.383 9.657 1002 H GLU 130 H GLU 130 12.589 3.500 13.425 1003 HA GLU 130 HA GLU 130 15.418 3.496 13.533 1004 HB2 GLU 130 2HB GLU 130 13.490 1.617 14.892 1005 HB3 GLU 130 1HB GLU 130 15.205 1.761 15.262 1006 HG2 GLU 130 2HG GLU 130 14.878 4.079 15.904 1007 HG3 GLU 130 1HG GLU 130 13.163 3.937 15.524 1008 H THR 131 H THR 131 16.314 2.915 11.817 1009 HA THR 131 HA THR 131 15.498 0.663 10.293 1010 HB THR 131 HB THR 131 16.290 2.676 9.169 1011 HG1 THR 131 1HG THR 131 17.169 1.634 7.651 1012 HG21 THR 131 3HG2 THR 131 17.891 3.505 10.792 1013 HG22 THR 131 1HG2 THR 131 18.660 3.353 9.208 1014 HG23 THR 131 2HG2 THR 131 18.953 2.138 10.459 1015 H HIS 132 H HIS 132 16.156 -1.289 10.522 1016 HA HIS 132 HA HIS 132 18.442 -1.888 12.233 1017 HB2 HIS 132 2HB HIS 132 16.378 -1.745 13.613 1018 HB3 HIS 132 1HB HIS 132 15.624 -2.940 12.574 1019 HD1 HIS 132 1HD HIS 132 15.396 -4.960 14.021 1020 HD2 HIS 132 2HD HIS 132 19.110 -3.152 14.407 1021 HE1 HIS 132 1HE HIS 132 16.695 -6.383 15.618 Start of MODEL 26 1 H1 MET 1 1HT MET 1 3.533 -26.279 21.497 2 H2 MET 1 2HT MET 1 2.487 -26.193 22.834 3 H3 MET 1 3HT MET 1 3.109 -27.665 22.356 4 HA MET 1 HA MET 1 4.211 -26.866 24.343 5 HB2 MET 1 2HB MET 1 6.501 -27.223 23.573 6 HB3 MET 1 1HB MET 1 5.419 -28.356 22.784 7 HG2 MET 1 2HG MET 1 5.474 -27.011 20.751 8 HG3 MET 1 1HG MET 1 6.490 -25.823 21.558 9 HE1 MET 1 2HE MET 1 8.196 -25.982 19.513 10 HE2 MET 1 3HE MET 1 7.183 -27.202 18.745 11 HE3 MET 1 1HE MET 1 8.909 -27.498 18.958 12 H GLY 2 H GLY 2 3.011 -24.400 23.255 13 HA2 GLY 2 2HA GLY 2 3.413 -22.146 23.515 14 HA3 GLY 2 1HA GLY 2 5.092 -22.517 23.934 15 H SER 3 H SER 3 3.397 -23.727 21.179 16 HA SER 3 HA SER 3 5.328 -22.462 19.421 17 HB2 SER 3 2HB SER 3 4.436 -24.517 18.008 18 HB3 SER 3 1HB SER 3 5.687 -24.726 19.240 19 HG SER 3 HG SER 3 3.269 -25.823 19.108 20 H GLN 4 H GLN 4 4.583 -21.268 17.727 21 HA GLN 4 HA GLN 4 1.733 -20.628 17.676 22 HB2 GLN 4 2HB GLN 4 4.166 -19.325 16.484 23 HB3 GLN 4 1HB GLN 4 2.529 -18.765 16.185 24 HG2 GLN 4 2HG GLN 4 2.248 -18.217 18.488 25 HG3 GLN 4 1HG GLN 4 3.800 -18.949 18.900 26 HE21 GLN 4 1HE2 GLN 4 5.679 -17.866 18.394 27 HE22 GLN 4 2HE2 GLN 4 5.700 -16.210 17.944 28 H LYS 5 H LYS 5 1.125 -19.905 15.260 29 HA LYS 5 HA LYS 5 1.346 -22.280 13.643 30 HB2 LYS 5 2HB LYS 5 -0.123 -19.675 13.215 31 HB3 LYS 5 1HB LYS 5 -0.247 -21.089 12.189 32 HG2 LYS 5 2HG LYS 5 -1.287 -22.337 13.971 33 HG3 LYS 5 1HG LYS 5 -1.055 -20.987 15.085 34 HD2 LYS 5 2HD LYS 5 -2.473 -19.586 13.766 35 HD3 LYS 5 1HD LYS 5 -2.659 -20.840 12.539 36 HE2 LYS 5 2HE LYS 5 -3.579 -21.016 15.408 37 HE3 LYS 5 1HE LYS 5 -4.620 -20.699 14.022 38 HZ1 LYS 5 3HZ LYS 5 -3.987 -22.889 13.137 39 HZ2 LYS 5 1HZ LYS 5 -4.720 -23.019 14.658 40 HZ3 LYS 5 2HZ LYS 5 -3.065 -23.178 14.528 41 H ARG 6 H ARG 6 3.120 -22.390 12.346 42 HA ARG 6 HA ARG 6 4.314 -19.892 11.537 43 HB2 ARG 6 2HB ARG 6 5.292 -22.691 11.016 44 HB3 ARG 6 1HB ARG 6 6.139 -21.223 10.573 45 HG2 ARG 6 2HG ARG 6 6.154 -20.623 13.006 46 HG3 ARG 6 1HG ARG 6 5.575 -22.262 13.325 47 HD2 ARG 6 2HD ARG 6 7.971 -22.222 13.531 48 HD3 ARG 6 1HD ARG 6 7.536 -23.129 12.079 49 HE ARG 6 HE ARG 6 8.114 -20.303 11.773 50 HH11 ARG 6 1HH1 ARG 6 9.228 -23.622 11.267 51 HH12 ARG 6 2HH1 ARG 6 10.548 -23.167 10.297 52 HH21 ARG 6 1HH2 ARG 6 9.915 -19.695 10.437 53 HH22 ARG 6 2HH2 ARG 6 10.955 -20.889 9.822 54 H LEU 7 H LEU 7 3.010 -19.038 10.091 55 HA LEU 7 HA LEU 7 2.288 -20.572 7.736 56 HB2 LEU 7 2HB LEU 7 1.765 -17.665 8.414 57 HB3 LEU 7 1HB LEU 7 1.111 -18.518 7.035 58 HG LEU 7 HG LEU 7 0.457 -19.088 9.930 59 HD11 LEU 7 1HD1 LEU 7 -1.750 -18.206 9.369 60 HD12 LEU 7 2HD1 LEU 7 -1.180 -17.807 7.749 61 HD13 LEU 7 3HD1 LEU 7 -0.490 -16.991 9.153 62 HD21 LEU 7 3HD2 LEU 7 -1.269 -20.584 9.023 63 HD22 LEU 7 1HD2 LEU 7 0.350 -21.122 8.582 64 HD23 LEU 7 2HD2 LEU 7 -0.658 -20.298 7.395 65 H VAL 8 H VAL 8 4.131 -20.937 6.643 66 HA VAL 8 HA VAL 8 5.338 -18.706 5.401 67 HB VAL 8 HB VAL 8 6.602 -18.577 7.447 68 HG11 VAL 8 1HG1 VAL 8 6.323 -20.812 8.313 69 HG12 VAL 8 2HG1 VAL 8 8.034 -20.378 8.285 70 HG13 VAL 8 3HG1 VAL 8 7.375 -21.459 7.054 71 HG21 VAL 8 3HG2 VAL 8 8.916 -18.845 6.615 72 HG22 VAL 8 1HG2 VAL 8 7.860 -18.077 5.429 73 HG23 VAL 8 2HG2 VAL 8 8.296 -19.776 5.252 74 H GLN 9 H GLN 9 5.223 -19.353 3.437 75 HA GLN 9 HA GLN 9 6.510 -21.901 2.735 76 HB2 GLN 9 2HB GLN 9 4.118 -21.786 2.002 77 HB3 GLN 9 1HB GLN 9 4.496 -20.326 1.092 78 HG2 GLN 9 2HG GLN 9 6.146 -21.640 -0.231 79 HG3 GLN 9 1HG GLN 9 5.603 -23.090 0.606 80 HE21 GLN 9 1HE2 GLN 9 3.557 -23.913 0.137 81 HE22 GLN 9 2HE2 GLN 9 2.697 -23.448 -1.275 82 H ARG 10 H ARG 10 8.441 -21.584 1.849 83 HA ARG 10 HA ARG 10 9.224 -18.903 1.155 84 HB2 ARG 10 2HB ARG 10 10.793 -21.464 0.800 85 HB3 ARG 10 1HB ARG 10 11.428 -19.834 0.727 86 HG2 ARG 10 2HG ARG 10 10.830 -19.565 3.128 87 HG3 ARG 10 1HG ARG 10 10.387 -21.275 3.153 88 HD2 ARG 10 2HD ARG 10 12.634 -21.106 3.952 89 HD3 ARG 10 1HD ARG 10 12.698 -21.791 2.326 90 HE ARG 10 HE ARG 10 13.239 -18.967 2.948 91 HH11 ARG 10 1HH1 ARG 10 13.902 -21.804 0.880 92 HH12 ARG 10 2HH1 ARG 10 15.218 -21.070 0.120 93 HH21 ARG 10 1HH2 ARG 10 15.056 -18.024 1.897 94 HH22 ARG 10 2HH2 ARG 10 15.917 -18.880 0.714 95 H VAL 11 H VAL 11 8.253 -18.253 -0.632 96 HA VAL 11 HA VAL 11 7.842 -19.955 -2.876 97 HB VAL 11 HB VAL 11 7.660 -16.918 -2.744 98 HG11 VAL 11 1HG1 VAL 11 7.767 -17.765 -5.029 99 HG12 VAL 11 2HG1 VAL 11 6.164 -17.124 -4.666 100 HG13 VAL 11 3HG1 VAL 11 6.432 -18.866 -4.691 101 HG21 VAL 11 3HG2 VAL 11 5.499 -18.983 -2.318 102 HG22 VAL 11 1HG2 VAL 11 5.251 -17.238 -2.392 103 HG23 VAL 11 2HG2 VAL 11 6.198 -17.943 -1.080 104 H GLU 12 H GLU 12 9.675 -20.727 -3.643 105 HA GLU 12 HA GLU 12 12.052 -19.180 -3.843 106 HB2 GLU 12 2HB GLU 12 12.035 -21.594 -3.279 107 HB3 GLU 12 1HB GLU 12 11.437 -21.947 -4.889 108 HG2 GLU 12 2HG GLU 12 13.472 -21.314 -5.888 109 HG3 GLU 12 1HG GLU 12 14.046 -20.556 -4.403 110 H ARG 13 H ARG 13 9.481 -20.157 -5.963 111 HA ARG 13 HA ARG 13 10.763 -18.923 -8.254 112 HB2 ARG 13 2HB ARG 13 7.911 -19.919 -7.961 113 HB3 ARG 13 1HB ARG 13 8.727 -19.530 -9.465 114 HG2 ARG 13 2HG ARG 13 10.295 -21.420 -9.045 115 HG3 ARG 13 1HG ARG 13 9.348 -21.833 -7.619 116 HD2 ARG 13 2HD ARG 13 8.675 -23.220 -9.467 117 HD3 ARG 13 1HD ARG 13 7.367 -22.111 -9.055 118 HE ARG 13 HE ARG 13 9.185 -21.271 -11.145 119 HH11 ARG 13 1HH1 ARG 13 6.053 -22.695 -10.354 120 HH12 ARG 13 2HH1 ARG 13 5.360 -22.379 -11.865 121 HH21 ARG 13 1HH2 ARG 13 8.287 -20.929 -13.255 122 HH22 ARG 13 2HH2 ARG 13 6.669 -21.358 -13.589 123 H LYS 14 H LYS 14 11.052 -16.946 -7.201 124 HA LYS 14 HA LYS 14 8.931 -15.601 -5.889 125 HB2 LYS 14 2HB LYS 14 11.379 -15.381 -5.327 126 HB3 LYS 14 1HB LYS 14 11.541 -14.371 -6.752 127 HG2 LYS 14 2HG LYS 14 11.348 -12.964 -4.810 128 HG3 LYS 14 1HG LYS 14 9.876 -12.804 -5.777 129 HD2 LYS 14 2HD LYS 14 8.704 -14.322 -4.289 130 HD3 LYS 14 1HD LYS 14 10.180 -14.595 -3.369 131 HE2 LYS 14 2HE LYS 14 8.797 -13.055 -2.167 132 HE3 LYS 14 1HE LYS 14 10.196 -12.190 -2.780 133 HZ1 LYS 14 3HZ LYS 14 7.477 -12.151 -3.979 134 HZ2 LYS 14 1HZ LYS 14 8.799 -11.259 -4.557 135 HZ3 LYS 14 2HZ LYS 14 8.145 -10.959 -3.030 136 H LEU 15 H LEU 15 7.308 -15.270 -7.208 137 HA LEU 15 HA LEU 15 7.593 -13.191 -9.262 138 HB2 LEU 15 2HB LEU 15 5.682 -15.550 -9.226 139 HB3 LEU 15 1HB LEU 15 5.749 -14.303 -10.451 140 HG LEU 15 HG LEU 15 7.959 -16.295 -9.918 141 HD11 LEU 15 1HD1 LEU 15 5.893 -16.241 -12.106 142 HD12 LEU 15 2HD1 LEU 15 5.971 -17.399 -10.781 143 HD13 LEU 15 3HD1 LEU 15 7.249 -17.360 -11.996 144 HD21 LEU 15 3HD2 LEU 15 8.854 -15.507 -12.059 145 HD22 LEU 15 1HD2 LEU 15 8.764 -14.199 -10.880 146 HD23 LEU 15 2HD2 LEU 15 7.558 -14.314 -12.162 147 H GLU 16 H GLU 16 5.724 -11.760 -9.252 148 HA GLU 16 HA GLU 16 4.516 -11.607 -6.606 149 HB2 GLU 16 2HB GLU 16 5.570 -9.605 -7.909 150 HB3 GLU 16 1HB GLU 16 4.127 -9.668 -8.896 151 HG2 GLU 16 2HG GLU 16 4.158 -9.185 -5.914 152 HG3 GLU 16 1HG GLU 16 4.056 -7.929 -7.135 153 H GLN 17 H GLN 17 2.922 -13.109 -6.536 154 HA GLN 17 HA GLN 17 1.087 -13.092 -8.783 155 HB2 GLN 17 2HB GLN 17 0.477 -15.383 -8.311 156 HB3 GLN 17 1HB GLN 17 2.205 -15.241 -8.552 157 HG2 GLN 17 2HG GLN 17 0.859 -15.437 -5.873 158 HG3 GLN 17 1HG GLN 17 1.485 -16.800 -6.785 159 HE21 GLN 17 1HE2 GLN 17 3.719 -17.037 -6.925 160 HE22 GLN 17 2HE2 GLN 17 4.822 -16.206 -5.892 161 H THR 18 H THR 18 -0.420 -11.741 -8.290 162 HA THR 18 HA THR 18 -2.140 -12.507 -6.108 163 HB THR 18 HB THR 18 -1.714 -9.747 -7.150 164 HG1 THR 18 1HG THR 18 0.108 -10.126 -5.872 165 HG21 THR 18 3HG2 THR 18 -3.049 -9.055 -5.204 166 HG22 THR 18 1HG2 THR 18 -3.228 -10.771 -4.775 167 HG23 THR 18 2HG2 THR 18 -3.890 -10.174 -6.301 168 H VAL 19 H VAL 19 -3.288 -13.638 -7.413 169 HA VAL 19 HA VAL 19 -4.299 -12.499 -9.898 170 HB VAL 19 HB VAL 19 -3.323 -14.695 -10.198 171 HG11 VAL 19 1HG1 VAL 19 -5.310 -15.750 -8.195 172 HG12 VAL 19 2HG1 VAL 19 -3.564 -15.616 -7.984 173 HG13 VAL 19 3HG1 VAL 19 -4.223 -16.730 -9.182 174 HG21 VAL 19 3HG2 VAL 19 -6.328 -14.835 -10.448 175 HG22 VAL 19 1HG2 VAL 19 -5.187 -15.906 -11.263 176 HG23 VAL 19 2HG2 VAL 19 -5.205 -14.183 -11.637 177 H GLY 20 H GLY 20 -6.079 -11.432 -9.821 178 HA2 GLY 20 2HA GLY 20 -8.472 -11.594 -9.614 179 HA3 GLY 20 1HA GLY 20 -8.214 -12.405 -8.070 180 H ASP 21 H ASP 21 -9.441 -9.779 -9.077 181 HA ASP 21 HA ASP 21 -7.944 -7.904 -7.465 182 HB2 ASP 21 2HB ASP 21 -10.388 -7.512 -9.221 183 HB3 ASP 21 1HB ASP 21 -9.619 -6.232 -8.292 184 H ALA 22 H ALA 22 -8.280 -8.196 -5.542 185 HA ALA 22 HA ALA 22 -10.205 -9.489 -4.107 186 HB1 ALA 22 1HB ALA 22 -9.512 -8.302 -2.121 187 HB2 ALA 22 2HB ALA 22 -8.796 -7.027 -3.102 188 HB3 ALA 22 3HB ALA 22 -8.106 -8.650 -3.129 189 H PHE 23 H PHE 23 -10.284 -5.994 -4.591 190 HA PHE 23 HA PHE 23 -12.778 -5.717 -3.328 191 HB2 PHE 23 2HB PHE 23 -11.074 -4.034 -5.004 192 HB3 PHE 23 1HB PHE 23 -12.693 -3.425 -4.582 193 HD1 PHE 23 2HD PHE 23 -9.367 -4.373 -3.315 194 HD2 PHE 23 1HD PHE 23 -13.180 -2.802 -2.328 195 HE1 PHE 23 2HE PHE 23 -8.506 -3.661 -1.124 196 HE2 PHE 23 1HE PHE 23 -12.336 -2.078 -0.151 197 HZ PHE 23 HZ PHE 23 -9.985 -2.513 0.462 198 H ALA 24 H ALA 24 -11.936 -6.427 -6.618 199 HA ALA 24 HA ALA 24 -14.485 -5.805 -7.698 200 HB1 ALA 24 1HB ALA 24 -12.495 -6.038 -9.142 201 HB2 ALA 24 2HB ALA 24 -13.792 -7.123 -9.642 202 HB3 ALA 24 3HB ALA 24 -12.420 -7.755 -8.731 203 H ARG 25 H ARG 25 -12.968 -8.683 -6.400 204 HA ARG 25 HA ARG 25 -15.175 -10.399 -6.839 205 HB2 ARG 25 2HB ARG 25 -12.812 -10.608 -4.975 206 HB3 ARG 25 1HB ARG 25 -14.018 -11.873 -5.137 207 HG2 ARG 25 2HG ARG 25 -12.280 -10.830 -7.379 208 HG3 ARG 25 1HG ARG 25 -11.997 -12.320 -6.472 209 HD2 ARG 25 2HD ARG 25 -14.152 -13.193 -7.231 210 HD3 ARG 25 1HD ARG 25 -14.454 -11.714 -8.126 211 HE ARG 25 HE ARG 25 -12.021 -12.923 -8.943 212 HH11 ARG 25 1HH1 ARG 25 -15.531 -13.218 -9.244 213 HH12 ARG 25 2HH1 ARG 25 -15.463 -13.967 -10.783 214 HH21 ARG 25 1HH2 ARG 25 -11.965 -13.999 -11.028 215 HH22 ARG 25 2HH2 ARG 25 -13.440 -14.440 -11.789 216 H ILE 26 H ILE 26 -14.557 -8.044 -4.423 217 HA ILE 26 HA ILE 26 -16.438 -9.105 -2.528 218 HB ILE 26 HB ILE 26 -15.324 -6.286 -2.722 219 HG12 ILE 26 2HG1 ILE 26 -14.453 -8.572 -0.937 220 HG13 ILE 26 1HG1 ILE 26 -13.591 -8.042 -2.376 221 HG21 ILE 26 1HG2 ILE 26 -17.394 -6.349 -1.429 222 HG22 ILE 26 2HG2 ILE 26 -16.018 -6.059 -0.364 223 HG23 ILE 26 3HG2 ILE 26 -16.754 -7.659 -0.436 224 HD11 ILE 26 3HD1 ILE 26 -13.264 -5.829 -1.305 225 HD12 ILE 26 1HD1 ILE 26 -12.524 -7.160 -0.415 226 HD13 ILE 26 2HD1 ILE 26 -14.041 -6.463 0.143 227 H PHE 27 H PHE 27 -16.477 -6.257 -4.656 228 HA PHE 27 HA PHE 27 -19.270 -5.867 -4.071 229 HB2 PHE 27 2HB PHE 27 -17.358 -4.252 -5.726 230 HB3 PHE 27 1HB PHE 27 -19.049 -3.828 -5.489 231 HD1 PHE 27 2HD PHE 27 -19.872 -3.191 -3.279 232 HD2 PHE 27 1HD PHE 27 -15.740 -3.932 -3.984 233 HE1 PHE 27 2HE PHE 27 -19.318 -2.055 -1.177 234 HE2 PHE 27 1HE PHE 27 -15.179 -2.796 -1.872 235 HZ PHE 27 HZ PHE 27 -16.963 -1.852 -0.472 236 H GLY 28 H GLY 28 -17.579 -7.457 -6.570 237 HA2 GLY 28 2HA GLY 28 -18.789 -8.856 -8.072 238 HA3 GLY 28 1HA GLY 28 -20.145 -7.739 -7.975 239 H GLY 29 H GLY 29 -16.784 -6.992 -8.502 240 HA2 GLY 29 2HA GLY 29 -15.672 -5.911 -10.186 241 HA3 GLY 29 1HA GLY 29 -16.755 -6.743 -11.289 242 H SER 30 H SER 30 -17.388 -4.262 -8.815 243 HA SER 30 HA SER 30 -17.740 -2.179 -10.667 244 HB2 SER 30 2HB SER 30 -19.860 -3.516 -11.034 245 HB3 SER 30 1HB SER 30 -20.232 -3.307 -9.325 246 HG SER 30 HG SER 30 -21.252 -1.640 -10.107 247 H ILE 31 H ILE 31 -18.483 -0.233 -9.409 248 HA ILE 31 HA ILE 31 -17.983 1.233 -7.778 249 HB ILE 31 HB ILE 31 -19.339 0.991 -5.722 250 HG12 ILE 31 2HG1 ILE 31 -20.169 -1.694 -6.872 251 HG13 ILE 31 1HG1 ILE 31 -19.148 -1.480 -5.456 252 HG21 ILE 31 1HG2 ILE 31 -20.310 1.959 -7.704 253 HG22 ILE 31 2HG2 ILE 31 -21.525 1.004 -6.854 254 HG23 ILE 31 3HG2 ILE 31 -20.754 0.362 -8.305 255 HD11 ILE 31 3HD1 ILE 31 -20.996 -0.395 -4.297 256 HD12 ILE 31 1HD1 ILE 31 -21.429 -2.016 -4.839 257 HD13 ILE 31 2HD1 ILE 31 -22.014 -0.603 -5.722 258 H VAL 32 H VAL 32 -15.831 -0.394 -7.986 259 HA VAL 32 HA VAL 32 -14.988 -1.247 -5.424 260 HB VAL 32 HB VAL 32 -12.731 -1.573 -6.456 261 HG11 VAL 32 1HG1 VAL 32 -15.043 -2.676 -8.043 262 HG12 VAL 32 2HG1 VAL 32 -14.373 -3.353 -6.557 263 HG13 VAL 32 3HG1 VAL 32 -13.406 -3.333 -8.029 264 HG21 VAL 32 3HG2 VAL 32 -12.758 0.283 -8.065 265 HG22 VAL 32 1HG2 VAL 32 -14.047 -0.511 -8.968 266 HG23 VAL 32 2HG2 VAL 32 -12.451 -1.251 -8.880 267 HA PRO 33 HA PRO 33 -13.620 2.794 -4.047 268 HB2 PRO 33 2HB PRO 33 -12.397 1.492 -1.747 269 HB3 PRO 33 1HB PRO 33 -13.809 2.547 -1.794 270 HG2 PRO 33 2HG PRO 33 -13.955 -0.122 -1.254 271 HG3 PRO 33 1HG PRO 33 -15.270 0.792 -2.008 272 HD2 PRO 33 2HD PRO 33 -13.233 -0.998 -3.280 273 HD3 PRO 33 1HD PRO 33 -14.981 -0.826 -3.597 274 H GLN 34 H GLN 34 -12.100 2.472 -5.899 275 HA GLN 34 HA GLN 34 -9.355 1.663 -5.262 276 HB2 GLN 34 2HB GLN 34 -8.913 2.082 -7.636 277 HB3 GLN 34 1HB GLN 34 -10.296 1.018 -7.429 278 HG2 GLN 34 2HG GLN 34 -11.816 2.859 -7.854 279 HG3 GLN 34 1HG GLN 34 -10.459 3.976 -7.973 280 HE21 GLN 34 1HE2 GLN 34 -12.521 3.331 -9.896 281 HE22 GLN 34 2HE2 GLN 34 -11.687 2.800 -11.311 282 H GLU 35 H GLU 35 -11.185 4.337 -4.876 283 HA GLU 35 HA GLU 35 -9.260 6.260 -5.628 284 HB2 GLU 35 2HB GLU 35 -11.798 6.499 -4.052 285 HB3 GLU 35 1HB GLU 35 -10.723 7.868 -4.313 286 HG2 GLU 35 2HG GLU 35 -10.997 7.775 -6.649 287 HG3 GLU 35 1HG GLU 35 -11.808 6.218 -6.579 288 H VAL 36 H VAL 36 -9.228 4.132 -3.117 289 HA VAL 36 HA VAL 36 -8.014 5.832 -1.164 290 HB VAL 36 HB VAL 36 -7.792 2.802 -1.444 291 HG11 VAL 36 1HG1 VAL 36 -7.024 2.851 0.896 292 HG12 VAL 36 2HG1 VAL 36 -7.105 4.614 0.882 293 HG13 VAL 36 3HG1 VAL 36 -5.939 3.781 -0.143 294 HG21 VAL 36 3HG2 VAL 36 -9.463 4.482 0.379 295 HG22 VAL 36 1HG2 VAL 36 -9.399 2.720 0.364 296 HG23 VAL 36 2HG2 VAL 36 -10.080 3.592 -1.029 297 H GLU 37 H GLU 37 -6.736 3.369 -3.429 298 HA GLU 37 HA GLU 37 -4.086 4.202 -3.104 299 HB2 GLU 37 2HB GLU 37 -3.719 3.038 -5.402 300 HB3 GLU 37 1HB GLU 37 -4.166 2.094 -3.997 301 HG2 GLU 37 2HG GLU 37 -6.280 2.999 -5.911 302 HG3 GLU 37 1HG GLU 37 -5.272 1.611 -6.310 303 H ALA 38 H ALA 38 -6.557 5.266 -5.227 304 HA ALA 38 HA ALA 38 -4.994 6.921 -6.888 305 HB1 ALA 38 1HB ALA 38 -7.008 8.079 -7.489 306 HB2 ALA 38 2HB ALA 38 -7.811 7.520 -6.037 307 HB3 ALA 38 3HB ALA 38 -7.396 6.361 -7.313 308 H LEU 39 H LEU 39 -6.743 7.791 -3.883 309 HA LEU 39 HA LEU 39 -5.721 10.443 -3.853 310 HB2 LEU 39 2HB LEU 39 -7.787 9.814 -2.675 311 HB3 LEU 39 1HB LEU 39 -6.867 8.781 -1.604 312 HG LEU 39 HG LEU 39 -5.697 10.791 -0.729 313 HD11 LEU 39 1HD1 LEU 39 -7.670 12.301 -2.426 314 HD12 LEU 39 2HD1 LEU 39 -5.919 12.266 -2.632 315 HD13 LEU 39 3HD1 LEU 39 -6.623 13.004 -1.196 316 HD21 LEU 39 3HD2 LEU 39 -7.589 11.641 0.580 317 HD22 LEU 39 1HD2 LEU 39 -7.617 9.882 0.455 318 HD23 LEU 39 2HD2 LEU 39 -8.707 10.853 -0.533 319 H LEU 40 H LEU 40 -4.629 7.400 -2.644 320 HA LEU 40 HA LEU 40 -2.703 8.291 -0.813 321 HB2 LEU 40 2HB LEU 40 -3.715 5.964 -1.184 322 HB3 LEU 40 1HB LEU 40 -2.531 5.790 -2.454 323 HG LEU 40 HG LEU 40 -0.731 6.050 -0.785 324 HD11 LEU 40 1HD1 LEU 40 -1.933 7.398 0.863 325 HD12 LEU 40 2HD1 LEU 40 -1.354 5.904 1.605 326 HD13 LEU 40 3HD1 LEU 40 -3.047 6.064 1.143 327 HD21 LEU 40 3HD2 LEU 40 -1.089 3.865 0.285 328 HD22 LEU 40 1HD2 LEU 40 -1.533 3.835 -1.425 329 HD23 LEU 40 2HD2 LEU 40 -2.787 3.932 -0.194 330 H ARG 41 H ARG 41 -2.523 7.501 -4.277 331 HA ARG 41 HA ARG 41 0.266 8.020 -4.464 332 HB2 ARG 41 2HB ARG 41 0.069 7.614 -6.805 333 HB3 ARG 41 1HB ARG 41 -1.194 6.629 -6.098 334 HG2 ARG 41 2HG ARG 41 -2.714 8.675 -6.619 335 HG3 ARG 41 1HG ARG 41 -1.395 9.118 -7.705 336 HD2 ARG 41 2HD ARG 41 -3.057 6.602 -7.774 337 HD3 ARG 41 1HD ARG 41 -3.074 7.909 -8.948 338 HE ARG 41 HE ARG 41 -0.978 5.908 -8.544 339 HH11 ARG 41 1HH1 ARG 41 -2.228 8.553 -10.551 340 HH12 ARG 41 2HH1 ARG 41 -1.539 7.971 -12.002 341 HH21 ARG 41 1HH2 ARG 41 -0.014 5.116 -10.609 342 HH22 ARG 41 2HH2 ARG 41 -0.234 6.034 -12.023 343 H ARG 42 H ARG 42 -2.592 9.999 -4.691 344 HA ARG 42 HA ARG 42 -1.402 12.429 -5.569 345 HB2 ARG 42 2HB ARG 42 -3.781 12.401 -5.569 346 HB3 ARG 42 1HB ARG 42 -3.845 11.833 -3.905 347 HG2 ARG 42 2HG ARG 42 -4.516 14.111 -3.977 348 HG3 ARG 42 1HG ARG 42 -2.971 14.018 -3.143 349 HD2 ARG 42 2HD ARG 42 -2.009 14.585 -5.522 350 HD3 ARG 42 1HD ARG 42 -3.638 15.192 -5.826 351 HE ARG 42 HE ARG 42 -1.774 16.160 -3.778 352 HH11 ARG 42 1HH1 ARG 42 -4.778 16.757 -5.544 353 HH12 ARG 42 2HH1 ARG 42 -4.803 18.423 -5.229 354 HH21 ARG 42 1HH2 ARG 42 -1.816 18.433 -3.305 355 HH22 ARG 42 2HH2 ARG 42 -3.049 19.416 -3.957 356 H GLU 43 H GLU 43 -2.047 11.168 -2.338 357 HA GLU 43 HA GLU 43 -0.991 13.295 -0.888 358 HB2 GLU 43 2HB GLU 43 -2.503 11.597 0.019 359 HB3 GLU 43 1HB GLU 43 -1.259 10.377 -0.161 360 HG2 GLU 43 2HG GLU 43 -1.514 11.094 2.146 361 HG3 GLU 43 1HG GLU 43 0.088 11.464 1.526 362 H ALA 44 H ALA 44 0.510 10.374 -2.108 363 HA ALA 44 HA ALA 44 3.036 10.588 -0.938 364 HB1 ALA 44 1HB ALA 44 2.301 9.518 -3.652 365 HB2 ALA 44 2HB ALA 44 2.234 8.625 -2.132 366 HB3 ALA 44 3HB ALA 44 3.796 9.166 -2.775 367 H ALA 45 H ALA 45 1.833 11.868 -4.002 368 HA ALA 45 HA ALA 45 4.309 13.167 -4.649 369 HB1 ALA 45 1HB ALA 45 3.111 14.056 -6.570 370 HB2 ALA 45 2HB ALA 45 1.584 13.493 -5.894 371 HB3 ALA 45 3HB ALA 45 2.805 12.327 -6.396 372 H ASP 46 H ASP 46 1.500 13.969 -2.906 373 HA ASP 46 HA ASP 46 1.772 16.821 -3.120 374 HB2 ASP 46 2HB ASP 46 -0.420 15.700 -2.824 375 HB3 ASP 46 1HB ASP 46 0.087 15.184 -1.226 376 H GLY 47 H GLY 47 2.595 14.326 -0.798 377 HA2 GLY 47 2HA GLY 47 3.474 16.261 1.168 378 HA3 GLY 47 1HA GLY 47 3.489 14.515 1.330 379 H ILE 48 H ILE 48 4.889 15.806 -1.508 380 HA ILE 48 HA ILE 48 7.453 14.781 -0.969 381 HB ILE 48 HB ILE 48 6.373 16.634 -3.092 382 HG12 ILE 48 2HG1 ILE 48 5.603 14.349 -3.235 383 HG13 ILE 48 1HG1 ILE 48 6.690 14.703 -4.571 384 HG21 ILE 48 1HG2 ILE 48 8.437 16.367 -4.348 385 HG22 ILE 48 2HG2 ILE 48 9.158 15.534 -2.958 386 HG23 ILE 48 3HG2 ILE 48 8.676 17.230 -2.823 387 HD11 ILE 48 3HD1 ILE 48 7.127 12.509 -3.720 388 HD12 ILE 48 1HD1 ILE 48 7.352 13.135 -2.087 389 HD13 ILE 48 2HD1 ILE 48 8.494 13.559 -3.363 390 H GLN 49 H GLN 49 9.316 15.741 -0.299 391 HA GLN 49 HA GLN 49 9.075 18.516 0.528 392 HB2 GLN 49 2HB GLN 49 10.525 16.274 1.912 393 HB3 GLN 49 1HB GLN 49 10.756 17.972 2.305 394 HG2 GLN 49 2HG GLN 49 8.420 18.162 2.800 395 HG3 GLN 49 1HG GLN 49 8.186 16.433 2.504 396 HE21 GLN 49 1HE2 GLN 49 7.596 15.943 4.601 397 HE22 GLN 49 2HE2 GLN 49 8.678 16.028 5.939 398 H SER 50 H SER 50 10.721 19.783 0.222 399 HA SER 50 HA SER 50 12.415 19.145 -1.995 400 HB2 SER 50 2HB SER 50 12.344 21.606 -0.234 401 HB3 SER 50 1HB SER 50 13.154 21.470 -1.797 402 HG SER 50 HG SER 50 11.298 21.481 -2.812 403 H LEU 51 H LEU 51 14.130 18.001 -1.741 404 HA LEU 51 HA LEU 51 15.760 18.309 0.667 405 HB2 LEU 51 2HB LEU 51 14.497 16.107 0.294 406 HB3 LEU 51 1HB LEU 51 15.503 15.871 -1.110 407 HG LEU 51 HG LEU 51 17.504 15.864 0.416 408 HD11 LEU 51 1HD1 LEU 51 15.405 15.765 2.571 409 HD12 LEU 51 2HD1 LEU 51 16.539 17.085 2.296 410 HD13 LEU 51 3HD1 LEU 51 17.132 15.500 2.793 411 HD21 LEU 51 3HD2 LEU 51 17.086 13.607 1.253 412 HD22 LEU 51 1HD2 LEU 51 16.524 13.808 -0.406 413 HD23 LEU 51 2HD2 LEU 51 15.365 13.811 0.917 414 H GLN 52 H GLN 52 18.067 17.350 -0.123 415 HA GLN 52 HA GLN 52 19.334 18.977 -1.934 416 HB2 GLN 52 2HB GLN 52 20.019 16.072 -1.395 417 HB3 GLN 52 1HB GLN 52 21.106 17.308 -2.020 418 HG2 GLN 52 2HG GLN 52 20.962 18.545 0.057 419 HG3 GLN 52 1HG GLN 52 19.817 17.371 0.697 420 HE21 GLN 52 1HE2 GLN 52 21.095 16.866 2.404 421 HE22 GLN 52 2HE2 GLN 52 22.544 15.955 2.304 422 H GLY 53 H GLY 53 19.918 18.906 -4.063 423 HA2 GLY 53 2HA GLY 53 17.709 18.531 -5.703 424 HA3 GLY 53 1HA GLY 53 19.315 18.986 -6.231 425 H ASN 54 H ASN 54 19.916 16.224 -4.866 426 HA ASN 54 HA ASN 54 19.906 14.896 -7.360 427 HB2 ASN 54 2HB ASN 54 20.793 13.957 -4.660 428 HB3 ASN 54 1HB ASN 54 20.656 12.815 -5.988 429 HD21 ASN 54 1HD2 ASN 54 22.844 12.434 -5.986 430 HD22 ASN 54 2HD2 ASN 54 23.997 13.551 -6.586 431 H ARG 55 H ARG 55 17.828 14.723 -4.516 432 HA ARG 55 HA ARG 55 15.776 13.619 -6.005 433 HB2 ARG 55 2HB ARG 55 15.470 11.415 -4.883 434 HB3 ARG 55 1HB ARG 55 16.884 11.496 -5.909 435 HG2 ARG 55 2HG ARG 55 18.201 11.931 -3.839 436 HG3 ARG 55 1HG ARG 55 16.762 11.491 -2.915 437 HD2 ARG 55 2HD ARG 55 18.216 9.757 -4.924 438 HD3 ARG 55 1HD ARG 55 18.213 9.533 -3.178 439 HE ARG 55 HE ARG 55 15.581 9.422 -3.933 440 HH11 ARG 55 1HH1 ARG 55 18.487 7.627 -4.899 441 HH12 ARG 55 2HH1 ARG 55 17.685 6.159 -5.174 442 HH21 ARG 55 1HH2 ARG 55 14.436 7.320 -4.293 443 HH22 ARG 55 2HH2 ARG 55 15.320 5.980 -4.790 444 H LEU 56 H LEU 56 13.808 13.449 -4.935 445 HA LEU 56 HA LEU 56 13.595 15.380 -2.721 446 HB2 LEU 56 2HB LEU 56 11.497 14.152 -4.502 447 HB3 LEU 56 1HB LEU 56 11.271 15.470 -3.370 448 HG LEU 56 HG LEU 56 13.000 15.602 -5.845 449 HD11 LEU 56 1HD1 LEU 56 10.290 16.800 -5.312 450 HD12 LEU 56 2HD1 LEU 56 10.635 15.459 -6.405 451 HD13 LEU 56 3HD1 LEU 56 11.277 17.064 -6.748 452 HD21 LEU 56 3HD2 LEU 56 12.186 17.745 -3.877 453 HD22 LEU 56 1HD2 LEU 56 13.079 18.012 -5.375 454 HD23 LEU 56 2HD2 LEU 56 13.806 17.074 -4.074 455 H LEU 57 H LEU 57 12.317 15.030 -0.963 456 HA LEU 57 HA LEU 57 12.485 12.290 -0.006 457 HB2 LEU 57 2HB LEU 57 13.346 14.471 1.201 458 HB3 LEU 57 1HB LEU 57 11.664 14.711 1.584 459 HG LEU 57 HG LEU 57 12.963 13.760 3.445 460 HD11 LEU 57 1HD1 LEU 57 11.438 11.978 4.058 461 HD12 LEU 57 2HD1 LEU 57 10.829 11.934 2.402 462 HD13 LEU 57 3HD1 LEU 57 10.595 13.375 3.390 463 HD21 LEU 57 3HD2 LEU 57 13.687 11.435 3.371 464 HD22 LEU 57 1HD2 LEU 57 14.543 12.420 2.192 465 HD23 LEU 57 2HD2 LEU 57 13.248 11.343 1.668 466 H ALA 58 H ALA 58 10.705 11.088 0.172 467 HA ALA 58 HA ALA 58 8.084 12.344 -0.195 468 HB1 ALA 58 1HB ALA 58 7.397 10.175 -1.158 469 HB2 ALA 58 2HB ALA 58 9.036 9.569 -0.942 470 HB3 ALA 58 3HB ALA 58 8.728 10.899 -2.062 471 HA PRO 59 HA PRO 59 7.015 10.641 3.807 472 HB2 PRO 59 2HB PRO 59 4.374 9.877 2.754 473 HB3 PRO 59 1HB PRO 59 4.768 11.036 4.023 474 HG2 PRO 59 2HG PRO 59 3.866 11.829 1.624 475 HG3 PRO 59 1HG PRO 59 5.067 12.771 2.527 476 HD2 PRO 59 2HD PRO 59 5.461 10.914 0.212 477 HD3 PRO 59 1HD PRO 59 6.208 12.496 0.536 478 H ASN 60 H ASN 60 6.893 8.639 4.840 479 HA ASN 60 HA ASN 60 6.854 6.330 3.023 480 HB2 ASN 60 2HB ASN 60 8.254 5.117 4.607 481 HB3 ASN 60 1HB ASN 60 9.034 6.621 4.138 482 HD21 ASN 60 1HD2 ASN 60 9.219 4.841 6.524 483 HD22 ASN 60 2HD2 ASN 60 9.063 5.921 7.873 484 H GLU 61 H GLU 61 5.450 7.761 5.840 485 HA GLU 61 HA GLU 61 3.975 5.290 6.213 486 HB2 GLU 61 2HB GLU 61 5.330 5.819 8.154 487 HB3 GLU 61 1HB GLU 61 4.640 7.432 8.231 488 HG2 GLU 61 2HG GLU 61 2.538 6.610 8.889 489 HG3 GLU 61 1HG GLU 61 2.981 4.954 8.479 490 H TYR 62 H TYR 62 1.952 5.313 5.834 491 HA TYR 62 HA TYR 62 0.603 7.907 5.512 492 HB2 TYR 62 2HB TYR 62 0.242 5.442 3.795 493 HB3 TYR 62 1HB TYR 62 -0.732 6.895 3.692 494 HD1 TYR 62 1HD TYR 62 2.809 5.744 3.403 495 HD2 TYR 62 2HD TYR 62 -0.100 8.641 2.287 496 HE1 TYR 62 1HE TYR 62 4.418 6.758 1.867 497 HE2 TYR 62 2HE TYR 62 1.510 9.665 0.742 498 HH TYR 62 HH TYR 62 4.565 8.167 0.042 499 H ILE 63 H ILE 63 -1.068 8.158 6.671 500 HA ILE 63 HA ILE 63 -2.159 5.857 8.122 501 HB ILE 63 HB ILE 63 -2.631 8.820 8.576 502 HG12 ILE 63 2HG1 ILE 63 -0.854 6.923 10.146 503 HG13 ILE 63 1HG1 ILE 63 -0.266 8.082 8.964 504 HG21 ILE 63 1HG2 ILE 63 -3.575 8.077 10.735 505 HG22 ILE 63 2HG2 ILE 63 -3.308 6.395 10.253 506 HG23 ILE 63 3HG2 ILE 63 -4.452 7.388 9.364 507 HD11 ILE 63 3HD1 ILE 63 -0.002 8.875 11.255 508 HD12 ILE 63 1HD1 ILE 63 -1.744 8.763 11.496 509 HD13 ILE 63 2HD1 ILE 63 -1.092 9.915 10.334 510 H ILE 64 H ILE 64 -3.887 4.966 7.211 511 HA ILE 64 HA ILE 64 -5.666 6.674 5.646 512 HB ILE 64 HB ILE 64 -5.226 3.675 5.437 513 HG12 ILE 64 2HG1 ILE 64 -4.291 5.883 3.585 514 HG13 ILE 64 1HG1 ILE 64 -3.259 5.044 4.726 515 HG21 ILE 64 1HG2 ILE 64 -7.471 4.409 4.780 516 HG22 ILE 64 2HG2 ILE 64 -6.551 3.879 3.370 517 HG23 ILE 64 3HG2 ILE 64 -6.773 5.602 3.686 518 HD11 ILE 64 3HD1 ILE 64 -4.673 3.816 2.364 519 HD12 ILE 64 1HD1 ILE 64 -3.666 2.944 3.526 520 HD13 ILE 64 2HD1 ILE 64 -2.951 4.182 2.495 521 H THR 65 H THR 65 -7.494 7.040 6.628 522 HA THR 65 HA THR 65 -8.454 5.119 8.622 523 HB THR 65 HB THR 65 -8.962 8.103 8.608 524 HG1 THR 65 1HG THR 65 -6.830 6.619 9.368 525 HG21 THR 65 3HG2 THR 65 -9.706 7.693 10.934 526 HG22 THR 65 1HG2 THR 65 -9.375 5.975 10.744 527 HG23 THR 65 2HG2 THR 65 -10.654 6.729 9.811 528 H LEU 66 H LEU 66 -10.204 4.173 8.050 529 HA LEU 66 HA LEU 66 -12.054 5.390 6.108 530 HB2 LEU 66 2HB LEU 66 -11.445 2.551 6.874 531 HB3 LEU 66 1HB LEU 66 -13.001 2.946 6.199 532 HG LEU 66 HG LEU 66 -11.504 2.018 4.515 533 HD11 LEU 66 1HD1 LEU 66 -13.190 3.455 3.774 534 HD12 LEU 66 2HD1 LEU 66 -11.728 3.711 2.813 535 HD13 LEU 66 3HD1 LEU 66 -12.176 4.859 4.080 536 HD21 LEU 66 3HD2 LEU 66 -9.557 3.251 3.718 537 HD22 LEU 66 1HD2 LEU 66 -9.351 2.767 5.403 538 HD23 LEU 66 2HD2 LEU 66 -9.783 4.434 5.006 539 H GLY 67 H GLY 67 -14.349 5.087 6.538 540 HA2 GLY 67 2HA GLY 67 -15.099 5.409 9.250 541 HA3 GLY 67 1HA GLY 67 -16.193 5.142 7.885 542 H VAL 68 H VAL 68 -16.663 3.823 10.261 543 HA VAL 68 HA VAL 68 -15.305 1.362 10.455 544 HB VAL 68 HB VAL 68 -16.432 2.315 12.328 545 HG11 VAL 68 1HG1 VAL 68 -19.032 1.620 10.954 546 HG12 VAL 68 2HG1 VAL 68 -18.424 3.240 11.277 547 HG13 VAL 68 3HG1 VAL 68 -18.893 2.194 12.617 548 HG21 VAL 68 3HG2 VAL 68 -17.473 0.272 13.246 549 HG22 VAL 68 1HG2 VAL 68 -15.958 -0.039 12.403 550 HG23 VAL 68 2HG2 VAL 68 -17.495 -0.407 11.619 551 H HIS 69 H HIS 69 -18.279 2.180 8.787 552 HA HIS 69 HA HIS 69 -18.999 -0.494 8.087 553 HB2 HIS 69 2HB HIS 69 -20.644 1.362 8.031 554 HB3 HIS 69 1HB HIS 69 -19.707 2.155 6.776 555 HD1 HIS 69 1HD HIS 69 -20.165 1.421 4.322 556 HD2 HIS 69 2HD HIS 69 -22.037 -0.928 7.191 557 HE1 HIS 69 1HE HIS 69 -21.762 -0.032 3.084 558 H ASP 70 H ASP 70 -17.236 2.105 6.620 559 HA ASP 70 HA ASP 70 -16.784 0.928 4.102 560 HB2 ASP 70 2HB ASP 70 -15.185 3.087 5.499 561 HB3 ASP 70 1HB ASP 70 -15.127 2.693 3.780 562 H PHE 71 H PHE 71 -14.981 0.890 7.145 563 HA PHE 71 HA PHE 71 -12.648 -0.319 6.175 564 HB2 PHE 71 2HB PHE 71 -13.019 0.837 8.396 565 HB3 PHE 71 1HB PHE 71 -13.854 -0.612 8.927 566 HD1 PHE 71 2HD PHE 71 -10.650 0.774 7.878 567 HD2 PHE 71 1HD PHE 71 -12.641 -2.540 9.600 568 HE1 PHE 71 2HE PHE 71 -8.471 -0.141 8.592 569 HE2 PHE 71 1HE PHE 71 -10.475 -3.475 10.334 570 HZ PHE 71 HZ PHE 71 -8.386 -2.274 9.824 571 H GLU 72 H GLU 72 -15.701 -1.633 7.429 572 HA GLU 72 HA GLU 72 -14.827 -4.326 7.246 573 HB2 GLU 72 2HB GLU 72 -17.563 -3.133 7.546 574 HB3 GLU 72 1HB GLU 72 -17.235 -4.860 7.577 575 HG2 GLU 72 2HG GLU 72 -15.670 -4.398 9.506 576 HG3 GLU 72 1HG GLU 72 -16.315 -2.760 9.527 577 H LYS 73 H LYS 73 -16.274 -2.089 5.066 578 HA LYS 73 HA LYS 73 -16.900 -4.109 3.167 579 HB2 LYS 73 2HB LYS 73 -16.750 -1.122 2.800 580 HB3 LYS 73 1HB LYS 73 -17.270 -2.253 1.560 581 HG2 LYS 73 2HG LYS 73 -18.628 -1.619 4.170 582 HG3 LYS 73 1HG LYS 73 -19.233 -1.330 2.540 583 HD2 LYS 73 2HD LYS 73 -18.821 -4.019 3.873 584 HD3 LYS 73 1HD LYS 73 -20.361 -3.243 3.552 585 HE2 LYS 73 2HE LYS 73 -19.984 -3.426 1.141 586 HE3 LYS 73 1HE LYS 73 -18.399 -4.141 1.429 587 HZ1 LYS 73 3HZ LYS 73 -20.011 -5.891 0.969 588 HZ2 LYS 73 1HZ LYS 73 -21.009 -5.318 2.204 589 HZ3 LYS 73 2HZ LYS 73 -19.522 -5.983 2.571 590 H LEU 74 H LEU 74 -14.033 -2.479 3.997 591 HA LEU 74 HA LEU 74 -12.596 -3.093 1.593 592 HB2 LEU 74 2HB LEU 74 -11.518 -3.010 4.425 593 HB3 LEU 74 1HB LEU 74 -10.573 -2.909 2.963 594 HG LEU 74 HG LEU 74 -12.445 -0.803 4.034 595 HD11 LEU 74 1HD1 LEU 74 -9.450 -0.966 3.870 596 HD12 LEU 74 2HD1 LEU 74 -10.432 -0.995 5.335 597 HD13 LEU 74 3HD1 LEU 74 -10.347 0.466 4.352 598 HD21 LEU 74 3HD2 LEU 74 -10.656 -0.745 1.596 599 HD22 LEU 74 1HD2 LEU 74 -11.552 0.627 2.246 600 HD23 LEU 74 2HD2 LEU 74 -12.421 -0.759 1.590 601 H GLY 75 H GLY 75 -13.256 -4.601 4.653 602 HA2 GLY 75 2HA GLY 75 -13.963 -7.002 4.319 603 HA3 GLY 75 1HA GLY 75 -12.362 -7.169 3.597 604 H ALA 76 H ALA 76 -12.579 -8.798 5.474 605 HA ALA 76 HA ALA 76 -11.833 -7.670 8.032 606 HB1 ALA 76 1HB ALA 76 -12.042 -10.531 7.090 607 HB2 ALA 76 2HB ALA 76 -13.286 -9.632 7.965 608 HB3 ALA 76 3HB ALA 76 -11.751 -10.014 8.746 609 H ASP 77 H ASP 77 -10.326 -8.040 5.234 610 HA ASP 77 HA ASP 77 -7.718 -8.738 6.378 611 HB2 ASP 77 2HB ASP 77 -7.160 -9.670 4.174 612 HB3 ASP 77 1HB ASP 77 -8.546 -10.485 4.885 613 HA PRO 78 HA PRO 78 -7.644 -4.490 4.091 614 HB2 PRO 78 2HB PRO 78 -7.373 -3.081 6.630 615 HB3 PRO 78 1HB PRO 78 -8.587 -2.844 5.373 616 HG2 PRO 78 2HG PRO 78 -9.194 -3.878 7.797 617 HG3 PRO 78 1HG PRO 78 -10.053 -4.346 6.321 618 HD2 PRO 78 2HD PRO 78 -7.838 -5.781 7.750 619 HD3 PRO 78 1HD PRO 78 -9.353 -6.433 7.083 620 H GLU 79 H GLU 79 -5.966 -6.027 6.604 621 HA GLU 79 HA GLU 79 -3.622 -4.425 6.488 622 HB2 GLU 79 2HB GLU 79 -2.676 -6.497 7.834 623 HB3 GLU 79 1HB GLU 79 -3.730 -5.315 8.585 624 HG2 GLU 79 2HG GLU 79 -4.401 -7.514 9.266 625 HG3 GLU 79 1HG GLU 79 -5.643 -6.843 8.224 626 H LEU 80 H LEU 80 -4.734 -7.216 4.859 627 HA LEU 80 HA LEU 80 -2.264 -7.950 3.671 628 HB2 LEU 80 2HB LEU 80 -4.410 -9.323 3.888 629 HB3 LEU 80 1HB LEU 80 -5.062 -8.365 2.588 630 HG LEU 80 HG LEU 80 -2.629 -10.140 2.298 631 HD11 LEU 80 1HD1 LEU 80 -4.147 -11.753 1.247 632 HD12 LEU 80 2HD1 LEU 80 -5.515 -10.718 1.649 633 HD13 LEU 80 3HD1 LEU 80 -4.567 -11.461 2.932 634 HD21 LEU 80 3HD2 LEU 80 -4.474 -8.918 0.233 635 HD22 LEU 80 1HD2 LEU 80 -3.098 -9.969 -0.102 636 HD23 LEU 80 2HD2 LEU 80 -2.836 -8.369 0.593 637 H LYS 81 H LYS 81 -5.015 -5.925 2.660 638 HA LYS 81 HA LYS 81 -4.103 -5.004 0.218 639 HB2 LYS 81 2HB LYS 81 -6.393 -4.818 1.080 640 HB3 LYS 81 1HB LYS 81 -5.837 -3.754 2.352 641 HG2 LYS 81 2HG LYS 81 -6.966 -2.533 0.679 642 HG3 LYS 81 1HG LYS 81 -5.245 -2.114 0.691 643 HD2 LYS 81 2HD LYS 81 -4.850 -3.447 -1.272 644 HD3 LYS 81 1HD LYS 81 -6.504 -4.064 -1.265 645 HE2 LYS 81 2HE LYS 81 -7.344 -1.803 -1.653 646 HE3 LYS 81 1HE LYS 81 -5.702 -1.175 -1.611 647 HZ1 LYS 81 3HZ LYS 81 -6.945 -2.886 -3.694 648 HZ2 LYS 81 1HZ LYS 81 -5.265 -2.635 -3.594 649 HZ3 LYS 81 2HZ LYS 81 -6.314 -1.343 -3.835 650 H SER 82 H SER 82 -3.510 -4.026 3.503 651 HA SER 82 HA SER 82 -2.221 -1.584 3.123 652 HB2 SER 82 2HB SER 82 -3.130 -2.404 5.280 653 HB3 SER 82 1HB SER 82 -1.863 -3.624 5.332 654 HG SER 82 HG SER 82 -1.708 -1.370 6.409 655 H THR 83 H THR 83 -0.860 -4.893 3.506 656 HA THR 83 HA THR 83 1.818 -4.185 3.224 657 HB THR 83 HB THR 83 0.460 -6.799 2.502 658 HG1 THR 83 1HG THR 83 1.507 -5.791 4.942 659 HG21 THR 83 3HG2 THR 83 2.821 -6.651 1.781 660 HG22 THR 83 1HG2 THR 83 2.626 -7.803 3.102 661 HG23 THR 83 2HG2 THR 83 3.287 -6.198 3.420 662 H GLY 84 H GLY 84 -0.663 -4.938 0.835 663 HA2 GLY 84 2HA GLY 84 0.968 -5.017 -1.459 664 HA3 GLY 84 1HA GLY 84 -0.747 -4.603 -1.433 665 H PHE 85 H PHE 85 -0.926 -2.358 -0.060 666 HA PHE 85 HA PHE 85 -0.065 -0.315 -1.798 667 HB2 PHE 85 2HB PHE 85 -1.163 -0.267 0.979 668 HB3 PHE 85 1HB PHE 85 -0.574 1.205 0.230 669 HD1 PHE 85 1HD PHE 85 -1.815 -0.468 -2.503 670 HD2 PHE 85 2HD PHE 85 -3.155 1.344 1.117 671 HE1 PHE 85 1HE PHE 85 -3.996 -0.048 -3.509 672 HE2 PHE 85 2HE PHE 85 -5.345 1.743 0.089 673 HZ PHE 85 HZ PHE 85 -5.757 1.058 -2.211 674 H ALA 86 H ALA 86 1.271 -1.337 1.273 675 HA ALA 86 HA ALA 86 3.164 0.653 1.599 676 HB1 ALA 86 1HB ALA 86 4.357 -0.923 3.017 677 HB2 ALA 86 2HB ALA 86 3.433 -2.261 2.331 678 HB3 ALA 86 3HB ALA 86 2.619 -1.031 3.297 679 H ARG 87 H ARG 87 3.435 -2.386 -0.201 680 HA ARG 87 HA ARG 87 6.158 -1.812 -0.884 681 HB2 ARG 87 2HB ARG 87 5.158 -4.119 -0.539 682 HB3 ARG 87 1HB ARG 87 4.421 -3.928 -2.124 683 HG2 ARG 87 2HG ARG 87 6.475 -5.216 -2.271 684 HG3 ARG 87 1HG ARG 87 6.651 -3.672 -3.118 685 HD2 ARG 87 2HD ARG 87 7.842 -2.721 -1.264 686 HD3 ARG 87 1HD ARG 87 7.527 -4.148 -0.280 687 HE ARG 87 HE ARG 87 8.924 -4.833 -2.624 688 HH11 ARG 87 1HH1 ARG 87 9.435 -3.233 0.503 689 HH12 ARG 87 2HH1 ARG 87 11.094 -3.549 0.577 690 HH21 ARG 87 1HH2 ARG 87 11.218 -5.323 -2.516 691 HH22 ARG 87 2HH2 ARG 87 12.138 -4.818 -1.183 692 H ASP 88 H ASP 88 3.057 -1.732 -2.511 693 HA ASP 88 HA ASP 88 3.982 -1.135 -5.115 694 HB2 ASP 88 2HB ASP 88 1.704 -1.924 -4.746 695 HB3 ASP 88 1HB ASP 88 1.322 -0.468 -3.838 696 H LEU 89 H LEU 89 3.160 0.959 -2.420 697 HA LEU 89 HA LEU 89 3.489 3.304 -4.009 698 HB2 LEU 89 2HB LEU 89 1.989 3.124 -2.018 699 HB3 LEU 89 1HB LEU 89 3.415 3.086 -1.008 700 HG LEU 89 HG LEU 89 3.982 5.368 -1.679 701 HD11 LEU 89 1HD1 LEU 89 3.091 5.333 -3.963 702 HD12 LEU 89 2HD1 LEU 89 2.405 6.672 -3.046 703 HD13 LEU 89 3HD1 LEU 89 1.451 5.215 -3.327 704 HD21 LEU 89 3HD2 LEU 89 2.076 6.489 -0.636 705 HD22 LEU 89 1HD2 LEU 89 2.529 5.021 0.232 706 HD23 LEU 89 2HD2 LEU 89 1.122 5.016 -0.829 707 H ALA 90 H ALA 90 5.526 1.359 -1.926 708 HA ALA 90 HA ALA 90 7.765 3.070 -1.802 709 HB1 ALA 90 1HB ALA 90 7.693 0.043 -1.874 710 HB2 ALA 90 2HB ALA 90 7.578 1.033 -0.420 711 HB3 ALA 90 3HB ALA 90 9.065 1.026 -1.364 712 H ASP 91 H ASP 91 6.621 0.754 -4.090 713 HA ASP 91 HA ASP 91 8.703 0.756 -5.961 714 HB2 ASP 91 2HB ASP 91 6.903 -0.887 -6.056 715 HB3 ASP 91 1HB ASP 91 5.720 0.380 -6.341 716 H TYR 92 H TYR 92 5.686 2.609 -5.951 717 HA TYR 92 HA TYR 92 6.119 4.302 -8.090 718 HB2 TYR 92 2HB TYR 92 4.542 4.576 -5.613 719 HB3 TYR 92 1HB TYR 92 4.813 6.015 -6.585 720 HD1 TYR 92 2HD TYR 92 4.064 6.044 -8.941 721 HD2 TYR 92 1HD TYR 92 2.996 2.936 -6.259 722 HE1 TYR 92 2HE TYR 92 2.163 5.459 -10.390 723 HE2 TYR 92 1HE TYR 92 1.115 2.327 -7.697 724 HH TYR 92 HH TYR 92 -0.233 3.160 -9.360 725 H ILE 93 H ILE 93 7.106 4.958 -4.720 726 HA ILE 93 HA ILE 93 8.066 7.509 -5.421 727 HB ILE 93 HB ILE 93 9.237 7.618 -3.271 728 HG12 ILE 93 2HG1 ILE 93 8.407 4.729 -2.869 729 HG13 ILE 93 1HG1 ILE 93 10.037 5.249 -3.247 730 HG21 ILE 93 1HG2 ILE 93 6.855 8.093 -3.296 731 HG22 ILE 93 2HG2 ILE 93 7.307 7.309 -1.785 732 HG23 ILE 93 3HG2 ILE 93 6.495 6.385 -3.047 733 HD11 ILE 93 3HD1 ILE 93 10.128 6.506 -1.152 734 HD12 ILE 93 1HD1 ILE 93 9.795 4.796 -0.878 735 HD13 ILE 93 2HD1 ILE 93 8.491 5.977 -0.772 736 H GLN 94 H GLN 94 9.604 4.374 -5.467 737 HA GLN 94 HA GLN 94 12.213 5.410 -5.933 738 HB2 GLN 94 2HB GLN 94 11.044 2.710 -6.502 739 HB3 GLN 94 1HB GLN 94 12.738 3.123 -6.698 740 HG2 GLN 94 2HG GLN 94 11.131 3.110 -4.134 741 HG3 GLN 94 1HG GLN 94 12.378 1.957 -4.586 742 HE21 GLN 94 1HE2 GLN 94 12.146 3.680 -2.272 743 HE22 GLN 94 2HE2 GLN 94 13.590 4.620 -2.219 744 H GLU 95 H GLU 95 9.543 4.359 -7.967 745 HA GLU 95 HA GLU 95 10.826 4.384 -10.379 746 HB2 GLU 95 2HB GLU 95 8.004 4.913 -9.568 747 HB3 GLU 95 1HB GLU 95 8.386 4.880 -11.256 748 HG2 GLU 95 2HG GLU 95 8.557 2.663 -9.230 749 HG3 GLU 95 1HG GLU 95 7.524 2.757 -10.651 750 H GLN 96 H GLN 96 9.272 6.960 -8.563 751 HA GLN 96 HA GLN 96 9.667 9.002 -10.563 752 HB2 GLN 96 2HB GLN 96 9.016 9.333 -7.649 753 HB3 GLN 96 1HB GLN 96 8.797 10.527 -8.912 754 HG2 GLN 96 2HG GLN 96 7.311 7.937 -8.565 755 HG3 GLN 96 1HG GLN 96 6.679 9.562 -8.339 756 HE21 GLN 96 1HE2 GLN 96 5.866 7.366 -10.053 757 HE22 GLN 96 2HE2 GLN 96 5.859 7.966 -11.663 758 H GLY 97 H GLY 97 11.672 7.572 -8.263 759 HA2 GLY 97 2HA GLY 97 13.925 8.011 -7.915 760 HA3 GLY 97 1HA GLY 97 13.737 9.525 -8.789 761 H TRP 98 H TRP 98 11.661 8.646 -6.131 762 HA TRP 98 HA TRP 98 12.810 10.849 -4.571 763 HB2 TRP 98 2HB TRP 98 10.174 9.398 -4.198 764 HB3 TRP 98 1HB TRP 98 10.720 10.800 -3.294 765 HD1 TRP 98 HD TRP 98 11.683 12.468 -5.977 766 HE1 TRP 98 1HE TRP 98 9.827 13.536 -7.424 767 HE3 TRP 98 3HE TRP 98 7.702 9.653 -4.436 768 HZ2 TRP 98 2HZ TRP 98 7.071 13.253 -7.833 769 HZ3 TRP 98 3HZ TRP 98 5.485 10.123 -5.400 770 HH2 TRP 98 HH TRP 98 5.179 11.885 -7.062 771 H GLN 99 H GLN 99 12.907 10.434 -2.175 772 HA GLN 99 HA GLN 99 13.265 7.591 -1.553 773 HB2 GLN 99 2HB GLN 99 15.308 8.010 -0.303 774 HB3 GLN 99 1HB GLN 99 15.517 8.485 -1.980 775 HG2 GLN 99 2HG GLN 99 15.372 10.797 -1.422 776 HG3 GLN 99 1HG GLN 99 14.860 10.424 0.219 777 HE21 GLN 99 1HE2 GLN 99 17.161 11.972 -0.730 778 HE22 GLN 99 2HE2 GLN 99 18.527 11.193 -0.012 779 H THR 100 H THR 100 13.709 7.477 0.983 780 HA THR 100 HA THR 100 12.486 9.509 2.491 781 HB THR 100 HB THR 100 10.490 8.307 1.500 782 HG1 THR 100 1HG THR 100 9.769 9.069 3.237 783 HG21 THR 100 3HG2 THR 100 9.950 6.036 2.299 784 HG22 THR 100 1HG2 THR 100 11.499 5.967 3.144 785 HG23 THR 100 2HG2 THR 100 11.457 6.043 1.383 786 H TYR 101 H TYR 101 12.230 8.343 4.836 787 HA TYR 101 HA TYR 101 14.692 6.772 5.091 788 HB2 TYR 101 2HB TYR 101 13.521 8.723 7.088 789 HB3 TYR 101 1HB TYR 101 14.963 7.739 7.359 790 HD1 TYR 101 1HD TYR 101 16.777 8.012 5.421 791 HD2 TYR 101 2HD TYR 101 13.843 10.915 6.420 792 HE1 TYR 101 1HE TYR 101 18.160 9.752 4.377 793 HE2 TYR 101 2HE TYR 101 15.218 12.667 5.373 794 HH TYR 101 HH TYR 101 17.858 11.941 3.371 795 H GLY 102 H GLY 102 14.341 4.789 5.655 796 HA2 GLY 102 2HA GLY 102 13.465 3.211 7.239 797 HA3 GLY 102 1HA GLY 102 11.979 4.165 7.275 798 H ASP 103 H ASP 103 10.724 2.388 6.639 799 HA ASP 103 HA ASP 103 10.959 1.783 3.786 800 HB2 ASP 103 2HB ASP 103 11.565 -0.210 5.202 801 HB3 ASP 103 1HB ASP 103 9.985 -0.095 5.970 802 H VAL 104 H VAL 104 8.920 1.649 2.733 803 HA VAL 104 HA VAL 104 7.042 3.506 3.824 804 HB VAL 104 HB VAL 104 6.833 1.839 1.300 805 HG11 VAL 104 1HG1 VAL 104 5.124 3.458 0.587 806 HG12 VAL 104 2HG1 VAL 104 5.231 4.256 2.155 807 HG13 VAL 104 3HG1 VAL 104 4.627 2.604 2.047 808 HG21 VAL 104 3HG2 VAL 104 7.708 4.689 1.724 809 HG22 VAL 104 1HG2 VAL 104 7.494 3.911 0.158 810 HG23 VAL 104 2HG2 VAL 104 8.742 3.339 1.265 811 H VAL 105 H VAL 105 5.400 3.143 5.034 812 HA VAL 105 HA VAL 105 4.090 0.571 4.984 813 HB VAL 105 HB VAL 105 5.732 0.349 6.780 814 HG11 VAL 105 1HG1 VAL 105 6.128 2.664 7.340 815 HG12 VAL 105 2HG1 VAL 105 5.688 1.763 8.794 816 HG13 VAL 105 3HG1 VAL 105 4.503 2.807 8.014 817 HG21 VAL 105 3HG2 VAL 105 3.624 -0.772 7.139 818 HG22 VAL 105 1HG2 VAL 105 2.930 0.688 7.843 819 HG23 VAL 105 2HG2 VAL 105 4.228 -0.162 8.680 820 H VAL 106 H VAL 106 1.967 0.788 4.983 821 HA VAL 106 HA VAL 106 0.921 3.406 5.673 822 HB VAL 106 HB VAL 106 -0.980 2.911 4.248 823 HG11 VAL 106 1HG1 VAL 106 1.047 3.839 3.159 824 HG12 VAL 106 2HG1 VAL 106 0.079 2.865 2.062 825 HG13 VAL 106 3HG1 VAL 106 1.548 2.196 2.764 826 HG21 VAL 106 3HG2 VAL 106 -1.175 0.506 4.612 827 HG22 VAL 106 1HG2 VAL 106 0.314 0.245 3.704 828 HG23 VAL 106 2HG2 VAL 106 -1.111 0.874 2.886 829 H ARG 107 H ARG 107 -0.940 3.504 7.003 830 HA ARG 107 HA ARG 107 -1.372 1.049 8.595 831 HB2 ARG 107 2HB ARG 107 -1.847 3.896 9.481 832 HB3 ARG 107 1HB ARG 107 -1.988 2.454 10.458 833 HG2 ARG 107 2HG ARG 107 0.475 2.147 10.257 834 HG3 ARG 107 1HG ARG 107 0.547 3.692 9.397 835 HD2 ARG 107 2HD ARG 107 -0.652 4.711 11.380 836 HD3 ARG 107 1HD ARG 107 -0.374 3.194 12.223 837 HE ARG 107 HE ARG 107 2.053 4.264 11.200 838 HH11 ARG 107 1HH1 ARG 107 -0.151 4.451 13.985 839 HH12 ARG 107 2HH1 ARG 107 0.904 5.404 14.905 840 HH21 ARG 107 1HH2 ARG 107 3.452 5.567 12.478 841 HH22 ARG 107 2HH2 ARG 107 2.996 6.002 14.080 842 H PHE 108 H PHE 108 -3.348 0.243 8.351 843 HA PHE 108 HA PHE 108 -5.487 2.015 7.453 844 HB2 PHE 108 2HB PHE 108 -5.137 -0.971 7.380 845 HB3 PHE 108 1HB PHE 108 -6.748 -0.281 7.329 846 HD1 PHE 108 2HD PHE 108 -3.451 -0.036 5.620 847 HD2 PHE 108 1HD PHE 108 -7.678 0.252 5.318 848 HE1 PHE 108 2HE PHE 108 -3.264 0.251 3.183 849 HE2 PHE 108 1HE PHE 108 -7.498 0.545 2.888 850 HZ PHE 108 HZ PHE 108 -5.287 0.540 1.821 851 H GLU 109 H GLU 109 -6.769 2.795 8.893 852 HA GLU 109 HA GLU 109 -7.508 1.163 11.152 853 HB2 GLU 109 2HB GLU 109 -7.278 3.161 12.659 854 HB3 GLU 109 1HB GLU 109 -5.760 2.482 12.106 855 HG2 GLU 109 2HG GLU 109 -5.626 4.268 10.412 856 HG3 GLU 109 1HG GLU 109 -7.109 4.961 11.066 857 H GLN 110 H GLN 110 -9.404 2.193 12.288 858 HA GLN 110 HA GLN 110 -11.119 3.425 10.246 859 HB2 GLN 110 2HB GLN 110 -12.990 2.132 11.087 860 HB3 GLN 110 1HB GLN 110 -11.701 1.065 10.541 861 HG2 GLN 110 2HG GLN 110 -11.024 0.625 12.766 862 HG3 GLN 110 1HG GLN 110 -12.098 1.858 13.404 863 HE21 GLN 110 1HE2 GLN 110 -13.121 0.426 14.744 864 HE22 GLN 110 2HE2 GLN 110 -14.249 -0.740 14.161 865 H SER 111 H SER 111 -12.807 4.647 11.048 866 HA SER 111 HA SER 111 -12.837 5.204 13.862 867 HB2 SER 111 2HB SER 111 -12.652 7.257 11.672 868 HB3 SER 111 1HB SER 111 -13.164 7.626 13.319 869 HG SER 111 HG SER 111 -10.772 6.195 13.008 870 H SER 112 H SER 112 -14.755 4.514 14.381 871 HA SER 112 HA SER 112 -17.028 4.293 12.749 872 HB2 SER 112 2HB SER 112 -16.884 4.503 15.761 873 HB3 SER 112 1HB SER 112 -18.145 3.714 14.806 874 HG SER 112 HG SER 112 -16.955 2.002 15.022 875 H ASN 113 H ASN 113 -15.700 6.837 14.642 876 HA ASN 113 HA ASN 113 -18.026 8.503 14.863 877 HB2 ASN 113 2HB ASN 113 -16.032 8.520 16.364 878 HB3 ASN 113 1HB ASN 113 -15.114 9.254 15.065 879 HD21 ASN 113 1HD2 ASN 113 -14.695 11.116 16.214 880 HD22 ASN 113 2HD2 ASN 113 -15.898 12.288 16.549 881 H LEU 114 H LEU 114 -15.889 7.785 12.388 882 HA LEU 114 HA LEU 114 -16.033 10.323 11.005 883 HB2 LEU 114 2HB LEU 114 -14.034 8.800 10.931 884 HB3 LEU 114 1HB LEU 114 -14.999 7.638 10.053 885 HG LEU 114 HG LEU 114 -15.195 9.261 8.188 886 HD11 LEU 114 1HD1 LEU 114 -13.281 10.892 9.857 887 HD12 LEU 114 2HD1 LEU 114 -14.942 11.328 9.447 888 HD13 LEU 114 3HD1 LEU 114 -13.722 11.223 8.182 889 HD21 LEU 114 3HD2 LEU 114 -12.374 8.638 9.068 890 HD22 LEU 114 1HD2 LEU 114 -12.876 9.050 7.429 891 HD23 LEU 114 2HD2 LEU 114 -13.444 7.558 8.175 892 H HIS 115 H HIS 115 -16.942 10.318 8.725 893 HA HIS 115 HA HIS 115 -19.605 9.219 8.882 894 HB2 HIS 115 2HB HIS 115 -19.123 11.607 8.155 895 HB3 HIS 115 1HB HIS 115 -18.355 10.887 6.742 896 HD1 HIS 115 1HD HIS 115 -21.831 11.188 8.262 897 HD2 HIS 115 2HD HIS 115 -19.945 10.395 4.651 898 HE1 HIS 115 1HE HIS 115 -23.640 11.126 6.520 899 H THR 116 H THR 116 -20.522 7.990 7.254 900 HA THR 116 HA THR 116 -18.807 5.934 6.254 901 HB THR 116 HB THR 116 -21.792 6.334 5.956 902 HG1 THR 116 1HG THR 116 -21.344 6.085 8.050 903 HG21 THR 116 3HG2 THR 116 -20.054 3.899 5.512 904 HG22 THR 116 1HG2 THR 116 -20.910 4.807 4.267 905 HG23 THR 116 2HG2 THR 116 -21.821 3.899 5.481 906 H GLY 117 H GLY 117 -17.947 5.792 4.343 907 HA2 GLY 117 2HA GLY 117 -17.751 6.075 2.037 908 HA3 GLY 117 1HA GLY 117 -19.066 7.242 2.073 909 H GLN 118 H GLN 118 -16.922 7.833 4.566 910 HA GLN 118 HA GLN 118 -15.490 9.826 3.005 911 HB2 GLN 118 2HB GLN 118 -17.076 10.774 4.682 912 HB3 GLN 118 1HB GLN 118 -16.305 9.809 5.914 913 HG2 GLN 118 2HG GLN 118 -14.272 11.041 5.740 914 HG3 GLN 118 1HG GLN 118 -14.889 11.904 4.329 915 HE21 GLN 118 1HE2 GLN 118 -17.528 12.329 5.398 916 HE22 GLN 118 2HE2 GLN 118 -17.400 13.497 6.654 917 H PHE 119 H PHE 119 -13.388 9.403 2.877 918 HA PHE 119 HA PHE 119 -12.148 7.773 4.950 919 HB2 PHE 119 2HB PHE 119 -10.977 6.427 3.297 920 HB3 PHE 119 1HB PHE 119 -12.689 6.394 2.942 921 HD1 PHE 119 2HD PHE 119 -13.615 7.584 0.999 922 HD2 PHE 119 1HD PHE 119 -9.430 7.392 1.744 923 HE1 PHE 119 2HE PHE 119 -13.174 8.262 -1.325 924 HE2 PHE 119 1HE PHE 119 -8.976 8.065 -0.555 925 HZ PHE 119 HZ PHE 119 -10.850 8.506 -2.112 926 H ARG 120 H ARG 120 -9.870 8.166 5.118 927 HA ARG 120 HA ARG 120 -8.926 10.529 3.731 928 HB2 ARG 120 2HB ARG 120 -9.090 10.283 6.729 929 HB3 ARG 120 1HB ARG 120 -8.049 11.442 5.940 930 HG2 ARG 120 2HG ARG 120 -10.073 12.412 4.844 931 HG3 ARG 120 1HG ARG 120 -11.055 11.305 5.805 932 HD2 ARG 120 2HD ARG 120 -10.973 13.484 6.836 933 HD3 ARG 120 1HD ARG 120 -10.143 12.304 7.854 934 HE ARG 120 HE ARG 120 -8.184 13.389 6.303 935 HH11 ARG 120 1HH1 ARG 120 -10.618 14.778 8.482 936 HH12 ARG 120 2HH1 ARG 120 -9.635 16.088 8.956 937 HH21 ARG 120 1HH2 ARG 120 -6.832 15.204 6.972 938 HH22 ARG 120 2HH2 ARG 120 -7.429 16.324 8.087 939 H ALA 121 H ALA 121 -6.672 10.719 3.668 940 HA ALA 121 HA ALA 121 -5.078 8.614 4.837 941 HB1 ALA 121 1HB ALA 121 -5.800 7.648 2.694 942 HB2 ALA 121 2HB ALA 121 -4.077 8.026 2.663 943 HB3 ALA 121 3HB ALA 121 -5.224 9.088 1.851 944 H ARG 122 H ARG 122 -3.378 9.621 5.650 945 HA ARG 122 HA ARG 122 -2.409 12.034 4.267 946 HB2 ARG 122 2HB ARG 122 -3.534 12.560 6.445 947 HB3 ARG 122 1HB ARG 122 -2.341 11.548 7.256 948 HG2 ARG 122 2HG ARG 122 -1.592 13.770 7.490 949 HG3 ARG 122 1HG ARG 122 -0.574 13.027 6.255 950 HD2 ARG 122 2HD ARG 122 -2.486 13.987 4.668 951 HD3 ARG 122 1HD ARG 122 -2.651 15.120 5.998 952 HE ARG 122 HE ARG 122 -0.467 14.781 4.153 953 HH11 ARG 122 1HH1 ARG 122 -1.444 16.386 7.207 954 HH12 ARG 122 2HH1 ARG 122 -0.318 17.652 7.043 955 HH21 ARG 122 1HH2 ARG 122 1.040 16.542 3.979 956 HH22 ARG 122 2HH2 ARG 122 1.133 17.772 5.161 957 H GLY 123 H GLY 123 -0.180 12.193 3.983 958 HA2 GLY 123 2HA GLY 123 1.329 9.829 4.800 959 HA3 GLY 123 1HA GLY 123 1.686 10.849 3.412 960 H THR 124 H THR 124 3.080 10.026 6.006 961 HA THR 124 HA THR 124 4.166 12.664 6.494 962 HB THR 124 HB THR 124 2.557 12.232 8.324 963 HG1 THR 124 1HG THR 124 4.210 12.198 10.087 964 HG21 THR 124 3HG2 THR 124 2.909 10.386 9.915 965 HG22 THR 124 1HG2 THR 124 4.236 9.783 8.918 966 HG23 THR 124 2HG2 THR 124 2.586 9.774 8.295 967 H VAL 125 H VAL 125 6.318 12.511 7.426 968 HA VAL 125 HA VAL 125 7.729 10.159 6.446 969 HB VAL 125 HB VAL 125 8.858 12.787 7.439 970 HG11 VAL 125 1HG1 VAL 125 10.909 12.099 6.291 971 HG12 VAL 125 2HG1 VAL 125 10.144 10.572 5.849 972 HG13 VAL 125 3HG1 VAL 125 10.443 10.947 7.543 973 HG21 VAL 125 3HG2 VAL 125 9.160 13.440 5.123 974 HG22 VAL 125 1HG2 VAL 125 7.457 13.149 5.458 975 HG23 VAL 125 2HG2 VAL 125 8.403 11.946 4.575 976 H ASN 126 H ASN 126 7.827 8.663 7.978 977 HA ASN 126 HA ASN 126 8.548 9.539 10.669 978 HB2 ASN 126 2HB ASN 126 6.225 8.813 10.737 979 HB3 ASN 126 1HB ASN 126 6.644 7.310 9.922 980 HD21 ASN 126 1HD2 ASN 126 5.823 6.106 11.617 981 HD22 ASN 126 2HD2 ASN 126 6.667 5.916 13.119 982 HA PRO 127 HA PRO 127 11.738 6.620 9.408 983 HB2 PRO 127 2HB PRO 127 13.772 7.846 10.686 984 HB3 PRO 127 1HB PRO 127 13.184 8.401 9.117 985 HG2 PRO 127 2HG PRO 127 12.716 9.535 11.829 986 HG3 PRO 127 1HG PRO 127 12.900 10.363 10.275 987 HD2 PRO 127 2HD PRO 127 10.489 9.840 11.559 988 HD3 PRO 127 1HD PRO 127 10.669 10.245 9.842 989 H ASP 128 H ASP 128 10.254 7.457 12.283 990 HA ASP 128 HA ASP 128 11.911 5.690 13.879 991 HB2 ASP 128 2HB ASP 128 11.301 7.944 14.857 992 HB3 ASP 128 1HB ASP 128 9.627 7.395 14.905 993 H VAL 129 H VAL 129 11.186 4.123 12.566 994 HA VAL 129 HA VAL 129 8.796 2.840 13.638 995 HB VAL 129 HB VAL 129 8.192 3.357 11.361 996 HG11 VAL 129 1HG1 VAL 129 10.805 2.145 10.477 997 HG12 VAL 129 2HG1 VAL 129 10.381 3.855 10.449 998 HG13 VAL 129 3HG1 VAL 129 9.523 2.717 9.403 999 HG21 VAL 129 3HG2 VAL 129 7.906 1.125 10.340 1000 HG22 VAL 129 1HG2 VAL 129 7.550 1.108 12.068 1001 HG23 VAL 129 2HG2 VAL 129 9.076 0.464 11.479 1002 H GLU 130 H GLU 130 9.434 1.176 14.875 1003 HA GLU 130 HA GLU 130 11.739 -0.305 13.953 1004 HB2 GLU 130 2HB GLU 130 12.299 -0.639 16.350 1005 HB3 GLU 130 1HB GLU 130 12.513 1.013 15.774 1006 HG2 GLU 130 2HG GLU 130 10.224 1.451 16.725 1007 HG3 GLU 130 1HG GLU 130 10.357 -0.101 17.538 1008 H THR 131 H THR 131 11.387 -2.314 13.657 1009 HA THR 131 HA THR 131 8.956 -3.576 14.415 1010 HB THR 131 HB THR 131 11.476 -4.605 13.074 1011 HG1 THR 131 1HG THR 131 10.519 -3.010 11.845 1012 HG21 THR 131 3HG2 THR 131 8.695 -5.754 13.188 1013 HG22 THR 131 1HG2 THR 131 10.114 -6.378 14.034 1014 HG23 THR 131 2HG2 THR 131 10.052 -6.424 12.265 1015 H HIS 132 H HIS 132 8.801 -4.942 16.189 1016 HA HIS 132 HA HIS 132 11.092 -4.973 17.952 1017 HB2 HIS 132 2HB HIS 132 8.240 -5.919 18.372 1018 HB3 HIS 132 1HB HIS 132 9.502 -6.007 19.589 1019 HD1 HIS 132 1HD HIS 132 7.737 -4.464 20.994 1020 HD2 HIS 132 2HD HIS 132 9.577 -2.677 17.724 1021 HE1 HIS 132 1HE HIS 132 7.308 -1.995 21.213 Start of MODEL 27 1 H1 MET 1 1HT MET 1 -24.421 -6.437 16.590 2 H2 MET 1 2HT MET 1 -25.926 -6.127 15.909 3 H3 MET 1 3HT MET 1 -24.910 -7.306 15.274 4 HA MET 1 HA MET 1 -26.024 -7.474 17.989 5 HB2 MET 1 2HB MET 1 -26.742 -9.122 15.549 6 HB3 MET 1 1HB MET 1 -27.376 -9.339 17.165 7 HG2 MET 1 2HG MET 1 -28.473 -7.153 17.014 8 HG3 MET 1 1HG MET 1 -27.864 -6.980 15.367 9 HE1 MET 1 2HE MET 1 -28.536 -8.640 13.378 10 HE2 MET 1 3HE MET 1 -29.723 -9.933 13.531 11 HE3 MET 1 1HE MET 1 -28.162 -10.069 14.338 12 H GLY 2 H GLY 2 -23.954 -7.948 18.767 13 HA2 GLY 2 2HA GLY 2 -22.311 -9.386 19.408 14 HA3 GLY 2 1HA GLY 2 -23.200 -10.662 18.576 15 H SER 3 H SER 3 -22.098 -11.586 17.026 16 HA SER 3 HA SER 3 -20.777 -9.987 15.042 17 HB2 SER 3 2HB SER 3 -19.266 -12.008 16.700 18 HB3 SER 3 1HB SER 3 -18.680 -11.351 15.172 19 HG SER 3 HG SER 3 -19.525 -9.483 17.002 20 H GLN 4 H GLN 4 -20.745 -10.993 13.091 21 HA GLN 4 HA GLN 4 -21.944 -13.627 12.864 22 HB2 GLN 4 2HB GLN 4 -20.928 -11.674 10.771 23 HB3 GLN 4 1HB GLN 4 -21.720 -13.197 10.411 24 HG2 GLN 4 2HG GLN 4 -23.771 -12.415 11.396 25 HG3 GLN 4 1HG GLN 4 -22.984 -10.925 11.918 26 HE21 GLN 4 1HE2 GLN 4 -24.422 -9.663 10.764 27 HE22 GLN 4 2HE2 GLN 4 -24.367 -9.524 9.052 28 H LYS 5 H LYS 5 -20.474 -14.977 13.644 29 HA LYS 5 HA LYS 5 -17.769 -14.571 13.585 30 HB2 LYS 5 2HB LYS 5 -17.550 -16.992 14.326 31 HB3 LYS 5 1HB LYS 5 -18.532 -15.936 15.318 32 HG2 LYS 5 2HG LYS 5 -19.730 -17.940 15.247 33 HG3 LYS 5 1HG LYS 5 -20.534 -16.924 14.057 34 HD2 LYS 5 2HD LYS 5 -19.212 -18.054 12.280 35 HD3 LYS 5 1HD LYS 5 -18.535 -19.116 13.511 36 HE2 LYS 5 2HE LYS 5 -20.354 -20.260 12.416 37 HE3 LYS 5 1HE LYS 5 -20.840 -19.857 14.061 38 HZ1 LYS 5 3HZ LYS 5 -22.603 -19.392 12.490 39 HZ2 LYS 5 1HZ LYS 5 -21.610 -18.356 11.618 40 HZ3 LYS 5 2HZ LYS 5 -22.081 -17.953 13.176 41 H ARG 6 H ARG 6 -16.254 -14.696 12.250 42 HA ARG 6 HA ARG 6 -16.630 -16.157 9.761 43 HB2 ARG 6 2HB ARG 6 -15.829 -13.802 9.605 44 HB3 ARG 6 1HB ARG 6 -14.437 -14.227 10.592 45 HG2 ARG 6 2HG ARG 6 -13.618 -15.713 8.872 46 HG3 ARG 6 1HG ARG 6 -15.053 -15.413 7.896 47 HD2 ARG 6 2HD ARG 6 -13.186 -14.125 7.057 48 HD3 ARG 6 1HD ARG 6 -14.415 -13.048 7.713 49 HE ARG 6 HE ARG 6 -12.753 -13.329 9.796 50 HH11 ARG 6 1HH1 ARG 6 -12.054 -12.605 6.391 51 HH12 ARG 6 2HH1 ARG 6 -10.715 -11.630 6.728 52 HH21 ARG 6 1HH2 ARG 6 -10.918 -11.986 10.252 53 HH22 ARG 6 2HH2 ARG 6 -10.041 -11.264 8.966 54 H LEU 7 H LEU 7 -15.736 -18.083 9.538 55 HA LEU 7 HA LEU 7 -14.262 -19.119 11.762 56 HB2 LEU 7 2HB LEU 7 -15.121 -20.453 9.195 57 HB3 LEU 7 1HB LEU 7 -14.231 -21.264 10.457 58 HG LEU 7 HG LEU 7 -16.465 -21.943 10.668 59 HD11 LEU 7 1HD1 LEU 7 -15.419 -21.520 12.784 60 HD12 LEU 7 2HD1 LEU 7 -17.146 -21.195 12.860 61 HD13 LEU 7 3HD1 LEU 7 -16.006 -19.853 12.768 62 HD21 LEU 7 3HD2 LEU 7 -17.571 -20.236 9.346 63 HD22 LEU 7 1HD2 LEU 7 -17.301 -19.046 10.621 64 HD23 LEU 7 2HD2 LEU 7 -18.370 -20.419 10.906 65 H VAL 8 H VAL 8 -12.238 -19.094 11.987 66 HA VAL 8 HA VAL 8 -10.492 -18.755 9.646 67 HB VAL 8 HB VAL 8 -10.559 -16.898 11.373 68 HG11 VAL 8 1HG1 VAL 8 -9.333 -18.925 13.201 69 HG12 VAL 8 2HG1 VAL 8 -10.872 -18.078 13.398 70 HG13 VAL 8 3HG1 VAL 8 -9.355 -17.188 13.496 71 HG21 VAL 8 3HG2 VAL 8 -7.881 -18.242 11.024 72 HG22 VAL 8 1HG2 VAL 8 -8.119 -16.572 11.539 73 HG23 VAL 8 2HG2 VAL 8 -8.622 -17.078 9.925 74 H GLN 9 H GLN 9 -11.696 -21.143 10.790 75 HA GLN 9 HA GLN 9 -9.645 -22.520 12.239 76 HB2 GLN 9 2HB GLN 9 -12.245 -23.529 11.115 77 HB3 GLN 9 1HB GLN 9 -11.147 -24.481 12.109 78 HG2 GLN 9 2HG GLN 9 -11.388 -22.810 13.900 79 HG3 GLN 9 1HG GLN 9 -12.578 -21.971 12.909 80 HE21 GLN 9 1HE2 GLN 9 -14.152 -22.257 14.415 81 HE22 GLN 9 2HE2 GLN 9 -14.898 -23.772 14.724 82 H ARG 10 H ARG 10 -10.953 -22.716 8.948 83 HA ARG 10 HA ARG 10 -8.886 -24.653 8.445 84 HB2 ARG 10 2HB ARG 10 -11.086 -25.090 7.407 85 HB3 ARG 10 1HB ARG 10 -10.916 -23.614 6.454 86 HG2 ARG 10 2HG ARG 10 -8.898 -24.543 5.399 87 HG3 ARG 10 1HG ARG 10 -9.111 -26.034 6.304 88 HD2 ARG 10 2HD ARG 10 -9.945 -26.241 4.015 89 HD3 ARG 10 1HD ARG 10 -11.254 -26.400 5.186 90 HE ARG 10 HE ARG 10 -12.133 -24.426 4.514 91 HH11 ARG 10 1HH1 ARG 10 -9.042 -24.927 2.809 92 HH12 ARG 10 2HH1 ARG 10 -9.339 -23.667 1.691 93 HH21 ARG 10 1HH2 ARG 10 -12.499 -22.742 2.959 94 HH22 ARG 10 2HH2 ARG 10 -11.319 -22.408 1.775 95 H VAL 11 H VAL 11 -7.365 -23.074 9.050 96 HA VAL 11 HA VAL 11 -6.417 -21.713 6.650 97 HB VAL 11 HB VAL 11 -5.512 -21.195 9.530 98 HG11 VAL 11 1HG1 VAL 11 -4.238 -19.315 8.588 99 HG12 VAL 11 2HG1 VAL 11 -4.760 -19.772 6.966 100 HG13 VAL 11 3HG1 VAL 11 -3.714 -20.849 7.894 101 HG21 VAL 11 3HG2 VAL 11 -7.743 -20.296 9.133 102 HG22 VAL 11 1HG2 VAL 11 -7.168 -19.466 7.688 103 HG23 VAL 11 2HG2 VAL 11 -6.566 -18.992 9.273 104 H GLU 12 H GLU 12 -6.038 -23.747 5.977 105 HA GLU 12 HA GLU 12 -4.187 -25.513 7.316 106 HB2 GLU 12 2HB GLU 12 -4.742 -27.001 5.422 107 HB3 GLU 12 1HB GLU 12 -6.180 -26.392 6.230 108 HG2 GLU 12 2HG GLU 12 -6.395 -24.676 4.449 109 HG3 GLU 12 1HG GLU 12 -5.026 -25.418 3.628 110 H ARG 13 H ARG 13 -3.205 -22.945 6.440 111 HA ARG 13 HA ARG 13 -1.532 -21.906 5.404 112 HB2 ARG 13 2HB ARG 13 -0.624 -24.746 4.963 113 HB3 ARG 13 1HB ARG 13 0.328 -23.383 4.379 114 HG2 ARG 13 2HG ARG 13 0.667 -22.561 6.573 115 HG3 ARG 13 1HG ARG 13 -0.548 -23.647 7.239 116 HD2 ARG 13 2HD ARG 13 1.966 -24.613 5.912 117 HD3 ARG 13 1HD ARG 13 1.860 -24.286 7.641 118 HE ARG 13 HE ARG 13 -0.245 -25.936 7.090 119 HH11 ARG 13 1HH1 ARG 13 3.257 -26.159 6.733 120 HH12 ARG 13 2HH1 ARG 13 3.349 -27.822 7.026 121 HH21 ARG 13 1HH2 ARG 13 -0.145 -28.254 7.480 122 HH22 ARG 13 2HH2 ARG 13 1.366 -29.057 7.444 123 H LYS 14 H LYS 14 -3.959 -23.012 4.021 124 HA LYS 14 HA LYS 14 -3.223 -22.035 1.368 125 HB2 LYS 14 2HB LYS 14 -5.478 -23.928 2.097 126 HB3 LYS 14 1HB LYS 14 -5.195 -23.239 0.510 127 HG2 LYS 14 2HG LYS 14 -3.063 -24.436 0.369 128 HG3 LYS 14 1HG LYS 14 -3.353 -25.139 1.959 129 HD2 LYS 14 2HD LYS 14 -3.973 -26.729 0.204 130 HD3 LYS 14 1HD LYS 14 -5.397 -26.213 1.106 131 HE2 LYS 14 2HE LYS 14 -5.985 -24.654 -0.659 132 HE3 LYS 14 1HE LYS 14 -4.526 -25.081 -1.558 133 HZ1 LYS 14 3HZ LYS 14 -6.476 -26.176 -2.420 134 HZ2 LYS 14 1HZ LYS 14 -6.799 -26.871 -0.919 135 HZ3 LYS 14 2HZ LYS 14 -5.423 -27.329 -1.775 136 H LEU 15 H LEU 15 -3.581 -19.961 1.827 137 HA LEU 15 HA LEU 15 -6.328 -19.101 1.970 138 HB2 LEU 15 2HB LEU 15 -5.687 -19.234 4.351 139 HB3 LEU 15 1HB LEU 15 -4.271 -18.255 4.036 140 HG LEU 15 HG LEU 15 -5.759 -16.351 3.452 141 HD11 LEU 15 1HD1 LEU 15 -8.122 -16.451 4.066 142 HD12 LEU 15 2HD1 LEU 15 -7.957 -18.173 4.411 143 HD13 LEU 15 3HD1 LEU 15 -7.733 -17.576 2.767 144 HD21 LEU 15 3HD2 LEU 15 -4.825 -16.549 5.692 145 HD22 LEU 15 1HD2 LEU 15 -6.192 -17.548 6.187 146 HD23 LEU 15 2HD2 LEU 15 -6.447 -15.860 5.747 147 H GLU 16 H GLU 16 -3.096 -17.749 2.494 148 HA GLU 16 HA GLU 16 -3.583 -15.797 0.424 149 HB2 GLU 16 2HB GLU 16 -2.529 -15.168 2.638 150 HB3 GLU 16 1HB GLU 16 -1.191 -16.224 2.251 151 HG2 GLU 16 2HG GLU 16 -1.864 -13.864 0.522 152 HG3 GLU 16 1HG GLU 16 -0.877 -13.699 1.969 153 H GLN 17 H GLN 17 -3.612 -16.963 -1.379 154 HA GLN 17 HA GLN 17 -1.313 -18.662 -2.009 155 HB2 GLN 17 2HB GLN 17 -3.934 -18.354 -3.487 156 HB3 GLN 17 1HB GLN 17 -2.673 -19.520 -3.858 157 HG2 GLN 17 2HG GLN 17 -4.290 -19.434 -1.314 158 HG3 GLN 17 1HG GLN 17 -4.549 -20.537 -2.666 159 HE21 GLN 17 1HE2 GLN 17 -3.099 -22.215 -2.989 160 HE22 GLN 17 2HE2 GLN 17 -1.981 -22.727 -1.783 161 H THR 18 H THR 18 -2.673 -15.681 -2.634 162 HA THR 18 HA THR 18 -0.621 -14.961 -4.552 163 HB THR 18 HB THR 18 -2.390 -13.691 -5.885 164 HG1 THR 18 1HG THR 18 -4.017 -14.034 -4.248 165 HG21 THR 18 3HG2 THR 18 -2.532 -16.712 -5.992 166 HG22 THR 18 1HG2 THR 18 -1.352 -15.704 -6.827 167 HG23 THR 18 2HG2 THR 18 -3.058 -15.627 -7.277 168 H VAL 19 H VAL 19 0.264 -13.223 -3.686 169 HA VAL 19 HA VAL 19 -1.322 -11.775 -1.786 170 HB VAL 19 HB VAL 19 0.816 -12.467 -1.002 171 HG11 VAL 19 1HG1 VAL 19 2.956 -11.615 -1.867 172 HG12 VAL 19 2HG1 VAL 19 2.085 -10.826 -3.182 173 HG13 VAL 19 3HG1 VAL 19 2.081 -12.584 -3.057 174 HG21 VAL 19 3HG2 VAL 19 0.042 -10.453 0.005 175 HG22 VAL 19 1HG2 VAL 19 0.663 -9.476 -1.328 176 HG23 VAL 19 2HG2 VAL 19 1.781 -10.290 -0.240 177 H GLY 20 H GLY 20 -2.749 -10.680 -3.116 178 HA2 GLY 20 2HA GLY 20 -2.571 -8.202 -3.450 179 HA3 GLY 20 1HA GLY 20 -1.633 -8.730 -4.852 180 H ASP 21 H ASP 21 -3.592 -7.442 -5.357 181 HA ASP 21 HA ASP 21 -5.512 -7.177 -6.631 182 HB2 ASP 21 2HB ASP 21 -4.576 -9.893 -7.315 183 HB3 ASP 21 1HB ASP 21 -5.996 -9.220 -8.148 184 H ALA 22 H ALA 22 -5.894 -8.017 -3.963 185 HA ALA 22 HA ALA 22 -7.759 -10.088 -3.605 186 HB1 ALA 22 1HB ALA 22 -8.212 -9.134 -1.439 187 HB2 ALA 22 2HB ALA 22 -7.490 -7.605 -1.936 188 HB3 ALA 22 3HB ALA 22 -6.480 -9.038 -1.774 189 H PHE 23 H PHE 23 -8.404 -6.649 -3.679 190 HA PHE 23 HA PHE 23 -11.220 -6.995 -3.673 191 HB2 PHE 23 2HB PHE 23 -9.392 -4.753 -4.285 192 HB3 PHE 23 1HB PHE 23 -11.156 -4.508 -4.200 193 HD1 PHE 23 2HD PHE 23 -12.243 -4.994 -1.949 194 HD2 PHE 23 1HD PHE 23 -8.027 -4.664 -2.420 195 HE1 PHE 23 2HE PHE 23 -12.004 -4.642 0.466 196 HE2 PHE 23 1HE PHE 23 -7.783 -4.309 0.002 197 HZ PHE 23 HZ PHE 23 -9.771 -4.298 1.447 198 H ALA 24 H ALA 24 -8.745 -6.748 -6.040 199 HA ALA 24 HA ALA 24 -10.293 -6.068 -8.287 200 HB1 ALA 24 1HB ALA 24 -7.678 -7.567 -8.155 201 HB2 ALA 24 2HB ALA 24 -7.860 -5.814 -8.204 202 HB3 ALA 24 3HB ALA 24 -8.362 -6.793 -9.585 203 H ARG 25 H ARG 25 -9.116 -9.251 -7.106 204 HA ARG 25 HA ARG 25 -10.517 -10.628 -9.154 205 HB2 ARG 25 2HB ARG 25 -9.855 -12.674 -8.001 206 HB3 ARG 25 1HB ARG 25 -8.496 -11.596 -8.239 207 HG2 ARG 25 2HG ARG 25 -8.544 -10.947 -5.910 208 HG3 ARG 25 1HG ARG 25 -10.012 -11.888 -5.653 209 HD2 ARG 25 2HD ARG 25 -8.005 -13.037 -4.830 210 HD3 ARG 25 1HD ARG 25 -8.817 -13.945 -6.095 211 HE ARG 25 HE ARG 25 -6.368 -12.351 -6.477 212 HH11 ARG 25 1HH1 ARG 25 -8.445 -15.091 -7.381 213 HH12 ARG 25 2HH1 ARG 25 -7.286 -15.856 -8.347 214 HH21 ARG 25 1HH2 ARG 25 -4.719 -13.459 -7.834 215 HH22 ARG 25 2HH2 ARG 25 -5.145 -14.920 -8.598 216 H ILE 26 H ILE 26 -11.285 -9.757 -5.857 217 HA ILE 26 HA ILE 26 -13.529 -11.551 -5.703 218 HB ILE 26 HB ILE 26 -12.742 -9.267 -3.864 219 HG12 ILE 26 2HG1 ILE 26 -12.461 -12.266 -3.499 220 HG13 ILE 26 1HG1 ILE 26 -11.155 -11.182 -3.954 221 HG21 ILE 26 1HG2 ILE 26 -14.318 -10.244 -2.235 222 HG22 ILE 26 2HG2 ILE 26 -14.856 -11.396 -3.459 223 HG23 ILE 26 3HG2 ILE 26 -15.135 -9.669 -3.688 224 HD11 ILE 26 3HD1 ILE 26 -12.689 -11.085 -1.366 225 HD12 ILE 26 1HD1 ILE 26 -11.362 -10.019 -1.820 226 HD13 ILE 26 2HD1 ILE 26 -11.069 -11.742 -1.586 227 H PHE 27 H PHE 27 -13.258 -7.983 -5.924 228 HA PHE 27 HA PHE 27 -16.134 -7.892 -6.317 229 HB2 PHE 27 2HB PHE 27 -14.148 -5.694 -5.797 230 HB3 PHE 27 1HB PHE 27 -15.865 -5.430 -6.072 231 HD1 PHE 27 1HD PHE 27 -17.498 -6.461 -4.507 232 HD2 PHE 27 2HD PHE 27 -13.346 -6.286 -3.688 233 HE1 PHE 27 1HE PHE 27 -17.969 -6.826 -2.104 234 HE2 PHE 27 2HE PHE 27 -13.785 -6.649 -1.289 235 HZ PHE 27 HZ PHE 27 -16.103 -6.918 -0.495 236 H GLY 28 H GLY 28 -13.371 -7.892 -8.242 237 HA2 GLY 28 2HA GLY 28 -13.370 -7.935 -10.561 238 HA3 GLY 28 1HA GLY 28 -15.058 -7.457 -10.526 239 H GLY 29 H GLY 29 -13.569 -5.292 -8.626 240 HA2 GLY 29 2HA GLY 29 -12.147 -3.417 -9.415 241 HA3 GLY 29 1HA GLY 29 -13.033 -3.534 -10.925 242 H SER 30 H SER 30 -15.445 -4.056 -8.910 243 HA SER 30 HA SER 30 -16.347 -1.364 -9.131 244 HB2 SER 30 2HB SER 30 -18.375 -2.346 -7.943 245 HB3 SER 30 1HB SER 30 -17.955 -3.066 -9.500 246 HG SER 30 HG SER 30 -17.381 -4.875 -8.542 247 H ILE 31 H ILE 31 -16.110 -3.480 -6.280 248 HA ILE 31 HA ILE 31 -15.740 -1.100 -4.668 249 HB ILE 31 HB ILE 31 -15.981 -3.987 -3.729 250 HG12 ILE 31 2HG1 ILE 31 -18.062 -3.233 -4.781 251 HG13 ILE 31 1HG1 ILE 31 -18.279 -3.403 -3.045 252 HG21 ILE 31 1HG2 ILE 31 -14.784 -2.609 -2.108 253 HG22 ILE 31 2HG2 ILE 31 -16.377 -3.047 -1.491 254 HG23 ILE 31 3HG2 ILE 31 -16.094 -1.426 -2.127 255 HD11 ILE 31 3HD1 ILE 31 -19.407 -1.420 -3.869 256 HD12 ILE 31 1HD1 ILE 31 -17.897 -0.819 -4.555 257 HD13 ILE 31 2HD1 ILE 31 -18.079 -0.962 -2.806 258 H VAL 32 H VAL 32 -13.798 -0.588 -5.581 259 HA VAL 32 HA VAL 32 -11.552 -1.941 -4.338 260 HB VAL 32 HB VAL 32 -11.607 -0.951 -7.221 261 HG11 VAL 32 1HG1 VAL 32 -9.264 -1.988 -5.618 262 HG12 VAL 32 2HG1 VAL 32 -9.491 -0.325 -6.161 263 HG13 VAL 32 3HG1 VAL 32 -9.239 -1.612 -7.340 264 HG21 VAL 32 3HG2 VAL 32 -10.950 -3.265 -7.763 265 HG22 VAL 32 1HG2 VAL 32 -12.521 -3.196 -6.961 266 HG23 VAL 32 2HG2 VAL 32 -11.083 -3.686 -6.065 267 HA PRO 33 HA PRO 33 -11.221 2.363 -3.051 268 HB2 PRO 33 2HB PRO 33 -8.832 1.490 -1.605 269 HB3 PRO 33 1HB PRO 33 -10.358 2.088 -0.958 270 HG2 PRO 33 2HG PRO 33 -9.601 -0.481 -0.686 271 HG3 PRO 33 1HG PRO 33 -11.301 -0.005 -0.879 272 HD2 PRO 33 2HD PRO 33 -9.401 -1.101 -2.916 273 HD3 PRO 33 1HD PRO 33 -11.107 -1.505 -2.584 274 H GLN 34 H GLN 34 -10.361 2.180 -5.551 275 HA GLN 34 HA GLN 34 -7.545 2.533 -5.859 276 HB2 GLN 34 2HB GLN 34 -9.034 1.740 -7.716 277 HB3 GLN 34 1HB GLN 34 -9.708 3.364 -7.801 278 HG2 GLN 34 2HG GLN 34 -7.447 4.244 -8.289 279 HG3 GLN 34 1HG GLN 34 -6.844 2.591 -8.312 280 HE21 GLN 34 1HE2 GLN 34 -7.454 1.247 -10.019 281 HE22 GLN 34 2HE2 GLN 34 -8.090 1.889 -11.476 282 H GLU 35 H GLU 35 -10.294 4.667 -5.408 283 HA GLU 35 HA GLU 35 -8.924 7.058 -5.973 284 HB2 GLU 35 2HB GLU 35 -10.736 8.219 -4.836 285 HB3 GLU 35 1HB GLU 35 -11.372 6.952 -5.868 286 HG2 GLU 35 2HG GLU 35 -11.725 5.529 -3.922 287 HG3 GLU 35 1HG GLU 35 -11.035 6.775 -2.885 288 H VAL 36 H VAL 36 -8.790 4.954 -3.320 289 HA VAL 36 HA VAL 36 -7.803 6.804 -1.387 290 HB VAL 36 HB VAL 36 -7.526 3.776 -1.461 291 HG11 VAL 36 1HG1 VAL 36 -5.846 4.791 -0.010 292 HG12 VAL 36 2HG1 VAL 36 -7.065 3.945 0.943 293 HG13 VAL 36 3HG1 VAL 36 -7.101 5.705 0.826 294 HG21 VAL 36 3HG2 VAL 36 -9.514 5.534 -0.024 295 HG22 VAL 36 1HG2 VAL 36 -9.376 3.785 0.159 296 HG23 VAL 36 2HG2 VAL 36 -9.851 4.474 -1.393 297 H GLU 37 H GLU 37 -6.296 4.418 -3.562 298 HA GLU 37 HA GLU 37 -3.698 5.246 -2.780 299 HB2 GLU 37 2HB GLU 37 -2.875 3.789 -4.661 300 HB3 GLU 37 1HB GLU 37 -3.897 2.983 -3.489 301 HG2 GLU 37 2HG GLU 37 -4.852 2.125 -5.335 302 HG3 GLU 37 1HG GLU 37 -5.738 3.648 -5.322 303 H ALA 38 H ALA 38 -5.884 6.207 -5.189 304 HA ALA 38 HA ALA 38 -4.175 7.860 -6.683 305 HB1 ALA 38 1HB ALA 38 -7.114 8.268 -6.122 306 HB2 ALA 38 2HB ALA 38 -6.447 7.289 -7.431 307 HB3 ALA 38 3HB ALA 38 -6.194 9.035 -7.416 308 H LEU 39 H LEU 39 -5.904 8.350 -3.668 309 HA LEU 39 HA LEU 39 -5.126 11.097 -3.441 310 HB2 LEU 39 2HB LEU 39 -7.191 10.056 -2.360 311 HB3 LEU 39 1HB LEU 39 -6.121 9.238 -1.257 312 HG LEU 39 HG LEU 39 -6.236 12.259 -1.411 313 HD11 LEU 39 1HD1 LEU 39 -7.833 10.444 0.392 314 HD12 LEU 39 2HD1 LEU 39 -8.482 11.408 -0.934 315 HD13 LEU 39 3HD1 LEU 39 -7.776 12.203 0.468 316 HD21 LEU 39 3HD2 LEU 39 -4.298 11.323 -0.255 317 HD22 LEU 39 1HD2 LEU 39 -5.362 10.352 0.761 318 HD23 LEU 39 2HD2 LEU 39 -5.390 12.105 0.890 319 H LEU 40 H LEU 40 -3.930 7.998 -2.353 320 HA LEU 40 HA LEU 40 -1.879 8.911 -0.674 321 HB2 LEU 40 2HB LEU 40 -1.967 6.414 -2.366 322 HB3 LEU 40 1HB LEU 40 -0.773 6.737 -1.130 323 HG LEU 40 HG LEU 40 -3.738 6.420 -0.637 324 HD11 LEU 40 1HD1 LEU 40 -1.472 4.537 0.005 325 HD12 LEU 40 2HD1 LEU 40 -2.576 4.353 -1.347 326 HD13 LEU 40 3HD1 LEU 40 -3.192 4.279 0.301 327 HD21 LEU 40 3HD2 LEU 40 -3.088 6.342 1.721 328 HD22 LEU 40 1HD2 LEU 40 -2.668 7.892 0.994 329 HD23 LEU 40 2HD2 LEU 40 -1.418 6.678 1.272 330 H ARG 41 H ARG 41 -1.803 8.171 -4.161 331 HA ARG 41 HA ARG 41 0.921 8.905 -4.476 332 HB2 ARG 41 2HB ARG 41 0.583 8.780 -6.865 333 HB3 ARG 41 1HB ARG 41 -0.417 7.525 -6.155 334 HG2 ARG 41 2HG ARG 41 -2.386 8.929 -6.418 335 HG3 ARG 41 1HG ARG 41 -1.394 10.221 -7.078 336 HD2 ARG 41 2HD ARG 41 -2.343 9.196 -8.958 337 HD3 ARG 41 1HD ARG 41 -0.712 8.544 -8.883 338 HE ARG 41 HE ARG 41 -2.523 6.817 -7.537 339 HH11 ARG 41 1HH1 ARG 41 -1.453 7.700 -10.813 340 HH12 ARG 41 2HH1 ARG 41 -2.176 6.309 -11.517 341 HH21 ARG 41 1HH2 ARG 41 -3.490 4.992 -8.558 342 HH22 ARG 41 2HH2 ARG 41 -3.293 4.748 -10.238 343 H ARG 42 H ARG 42 -2.040 10.682 -4.474 344 HA ARG 42 HA ARG 42 -1.247 13.179 -5.497 345 HB2 ARG 42 2HB ARG 42 -3.569 12.565 -5.172 346 HB3 ARG 42 1HB ARG 42 -3.309 12.367 -3.456 347 HG2 ARG 42 2HG ARG 42 -2.866 14.837 -3.337 348 HG3 ARG 42 1HG ARG 42 -3.406 14.940 -5.019 349 HD2 ARG 42 2HD ARG 42 -5.530 13.881 -4.397 350 HD3 ARG 42 1HD ARG 42 -4.999 13.796 -2.725 351 HE ARG 42 HE ARG 42 -5.126 16.417 -3.966 352 HH11 ARG 42 1HH1 ARG 42 -6.419 14.170 -1.564 353 HH12 ARG 42 2HH1 ARG 42 -7.679 15.211 -1.057 354 HH21 ARG 42 1HH2 ARG 42 -6.858 17.869 -3.196 355 HH22 ARG 42 2HH2 ARG 42 -7.921 17.309 -1.971 356 H GLU 43 H GLU 43 -1.521 12.026 -2.108 357 HA GLU 43 HA GLU 43 -0.334 14.420 -1.164 358 HB2 GLU 43 2HB GLU 43 -2.089 13.036 0.039 359 HB3 GLU 43 1HB GLU 43 -0.779 11.958 0.500 360 HG2 GLU 43 2HG GLU 43 0.254 13.547 1.840 361 HG3 GLU 43 1HG GLU 43 -0.574 14.888 1.058 362 H ALA 44 H ALA 44 0.879 11.334 -2.024 363 HA ALA 44 HA ALA 44 3.423 11.499 -0.863 364 HB1 ALA 44 1HB ALA 44 2.622 9.502 -2.042 365 HB2 ALA 44 2HB ALA 44 4.173 10.048 -2.691 366 HB3 ALA 44 3HB ALA 44 2.679 10.390 -3.568 367 H ALA 45 H ALA 45 2.138 12.790 -3.877 368 HA ALA 45 HA ALA 45 4.570 14.035 -4.686 369 HB1 ALA 45 1HB ALA 45 1.745 14.502 -5.643 370 HB2 ALA 45 2HB ALA 45 2.878 13.330 -6.310 371 HB3 ALA 45 3HB ALA 45 3.211 15.057 -6.451 372 H ASP 46 H ASP 46 1.695 15.076 -2.965 373 HA ASP 46 HA ASP 46 2.327 17.849 -2.928 374 HB2 ASP 46 2HB ASP 46 0.041 17.110 -2.458 375 HB3 ASP 46 1HB ASP 46 0.601 16.255 -1.022 376 H GLY 47 H GLY 47 2.997 15.198 -0.701 377 HA2 GLY 47 2HA GLY 47 4.154 16.904 1.292 378 HA3 GLY 47 1HA GLY 47 4.097 15.151 1.307 379 H ILE 48 H ILE 48 5.395 16.280 -1.572 380 HA ILE 48 HA ILE 48 7.947 15.278 -1.139 381 HB ILE 48 HB ILE 48 6.777 17.100 -3.219 382 HG12 ILE 48 2HG1 ILE 48 6.104 14.793 -3.343 383 HG13 ILE 48 1HG1 ILE 48 7.164 15.162 -4.699 384 HG21 ILE 48 1HG2 ILE 48 9.062 17.812 -3.007 385 HG22 ILE 48 2HG2 ILE 48 8.800 16.969 -4.539 386 HG23 ILE 48 3HG2 ILE 48 9.616 16.147 -3.195 387 HD11 ILE 48 3HD1 ILE 48 7.708 13.007 -3.835 388 HD12 ILE 48 1HD1 ILE 48 7.881 13.640 -2.198 389 HD13 ILE 48 2HD1 ILE 48 9.023 14.113 -3.451 390 H GLN 49 H GLN 49 9.762 16.061 -0.464 391 HA GLN 49 HA GLN 49 9.859 18.872 0.339 392 HB2 GLN 49 2HB GLN 49 11.046 16.445 1.609 393 HB3 GLN 49 1HB GLN 49 11.502 18.084 2.039 394 HG2 GLN 49 2HG GLN 49 9.309 18.559 2.733 395 HG3 GLN 49 1HG GLN 49 8.732 16.967 2.210 396 HE21 GLN 49 1HE2 GLN 49 8.725 18.162 4.864 397 HE22 GLN 49 2HE2 GLN 49 9.659 17.068 5.837 398 H SER 50 H SER 50 11.734 19.868 0.108 399 HA SER 50 HA SER 50 13.377 19.003 -2.069 400 HB2 SER 50 2HB SER 50 13.521 21.475 -0.337 401 HB3 SER 50 1HB SER 50 14.418 21.213 -1.837 402 HG SER 50 HG SER 50 12.044 20.718 -2.550 403 H LEU 51 H LEU 51 15.180 18.046 -1.912 404 HA LEU 51 HA LEU 51 16.865 18.095 0.426 405 HB2 LEU 51 2HB LEU 51 15.135 16.169 0.610 406 HB3 LEU 51 1HB LEU 51 15.907 15.473 -0.792 407 HG LEU 51 HG LEU 51 17.990 15.138 0.498 408 HD11 LEU 51 1HD1 LEU 51 17.829 17.063 1.986 409 HD12 LEU 51 2HD1 LEU 51 18.033 15.567 2.896 410 HD13 LEU 51 3HD1 LEU 51 16.445 16.327 2.791 411 HD21 LEU 51 3HD2 LEU 51 15.551 14.140 1.943 412 HD22 LEU 51 1HD2 LEU 51 17.173 13.456 2.034 413 HD23 LEU 51 2HD2 LEU 51 16.278 13.394 0.517 414 H GLN 52 H GLN 52 18.650 16.121 -0.598 415 HA GLN 52 HA GLN 52 20.238 17.298 -2.450 416 HB2 GLN 52 2HB GLN 52 19.651 14.340 -2.263 417 HB3 GLN 52 1HB GLN 52 21.081 15.054 -2.990 418 HG2 GLN 52 2HG GLN 52 21.757 15.947 -0.860 419 HG3 GLN 52 1HG GLN 52 20.298 15.321 -0.096 420 HE21 GLN 52 1HE2 GLN 52 23.413 14.563 -1.351 421 HE22 GLN 52 2HE2 GLN 52 23.474 12.934 -0.775 422 H GLY 53 H GLY 53 20.330 17.507 -4.629 423 HA2 GLY 53 2HA GLY 53 17.845 17.822 -5.915 424 HA3 GLY 53 1HA GLY 53 19.427 18.077 -6.617 425 H ASN 54 H ASN 54 19.855 15.130 -5.774 426 HA ASN 54 HA ASN 54 19.090 14.089 -8.294 427 HB2 ASN 54 2HB ASN 54 20.429 12.775 -5.945 428 HB3 ASN 54 1HB ASN 54 19.967 11.861 -7.371 429 HD21 ASN 54 1HD2 ASN 54 20.593 14.146 -9.179 430 HD22 ASN 54 2HD2 ASN 54 22.299 14.187 -9.253 431 H ARG 55 H ARG 55 17.715 13.887 -5.068 432 HA ARG 55 HA ARG 55 15.370 12.809 -6.183 433 HB2 ARG 55 2HB ARG 55 15.260 10.765 -4.750 434 HB3 ARG 55 1HB ARG 55 16.449 10.703 -6.038 435 HG2 ARG 55 2HG ARG 55 18.180 11.254 -4.416 436 HG3 ARG 55 1HG ARG 55 16.974 11.195 -3.124 437 HD2 ARG 55 2HD ARG 55 16.425 8.862 -3.853 438 HD3 ARG 55 1HD ARG 55 17.796 8.940 -4.951 439 HE ARG 55 HE ARG 55 18.919 9.534 -2.580 440 HH11 ARG 55 1HH1 ARG 55 16.716 6.927 -3.535 441 HH12 ARG 55 2HH1 ARG 55 17.324 5.781 -2.451 442 HH21 ARG 55 1HH2 ARG 55 19.806 7.923 -1.072 443 HH22 ARG 55 2HH2 ARG 55 19.165 6.354 -1.053 444 H LEU 56 H LEU 56 13.614 13.196 -5.037 445 HA LEU 56 HA LEU 56 13.914 15.122 -2.857 446 HB2 LEU 56 2HB LEU 56 11.522 14.310 -4.501 447 HB3 LEU 56 1HB LEU 56 11.603 15.645 -3.362 448 HG LEU 56 HG LEU 56 13.254 15.474 -5.887 449 HD11 LEU 56 1HD1 LEU 56 11.771 17.178 -6.781 450 HD12 LEU 56 2HD1 LEU 56 10.779 17.090 -5.329 451 HD13 LEU 56 3HD1 LEU 56 10.885 15.698 -6.411 452 HD21 LEU 56 3HD2 LEU 56 14.305 16.810 -4.153 453 HD22 LEU 56 1HD2 LEU 56 12.805 17.714 -3.919 454 HD23 LEU 56 2HD2 LEU 56 13.683 17.839 -5.440 455 H LEU 57 H LEU 57 12.649 15.016 -0.977 456 HA LEU 57 HA LEU 57 12.478 12.296 -0.006 457 HB2 LEU 57 2HB LEU 57 13.515 14.358 1.265 458 HB3 LEU 57 1HB LEU 57 11.857 14.767 1.613 459 HG LEU 57 HG LEU 57 11.532 12.683 2.822 460 HD11 LEU 57 1HD1 LEU 57 13.448 11.249 3.320 461 HD12 LEU 57 2HD1 LEU 57 14.453 12.206 2.232 462 HD13 LEU 57 3HD1 LEU 57 13.104 11.273 1.589 463 HD21 LEU 57 3HD2 LEU 57 13.987 14.209 3.681 464 HD22 LEU 57 1HD2 LEU 57 12.979 13.199 4.716 465 HD23 LEU 57 2HD2 LEU 57 12.318 14.674 4.005 466 H ALA 58 H ALA 58 10.651 11.227 0.140 467 HA ALA 58 HA ALA 58 8.127 12.657 -0.242 468 HB1 ALA 58 1HB ALA 58 7.317 10.538 -1.234 469 HB2 ALA 58 2HB ALA 58 8.932 9.853 -1.043 470 HB3 ALA 58 3HB ALA 58 8.672 11.227 -2.120 471 HA PRO 59 HA PRO 59 6.654 11.085 3.657 472 HB2 PRO 59 2HB PRO 59 4.212 10.172 2.236 473 HB3 PRO 59 1HB PRO 59 4.367 11.258 3.624 474 HG2 PRO 59 2HG PRO 59 3.772 12.236 1.237 475 HG3 PRO 59 1HG PRO 59 4.920 13.081 2.289 476 HD2 PRO 59 2HD PRO 59 5.473 11.318 -0.066 477 HD3 PRO 59 1HD PRO 59 6.210 12.872 0.386 478 H ASN 60 H ASN 60 6.502 9.258 4.807 479 HA ASN 60 HA ASN 60 6.548 6.661 3.407 480 HB2 ASN 60 2HB ASN 60 8.103 5.830 5.119 481 HB3 ASN 60 1HB ASN 60 8.792 7.178 4.228 482 HD21 ASN 60 1HD2 ASN 60 9.533 6.201 6.840 483 HD22 ASN 60 2HD2 ASN 60 9.347 7.529 7.924 484 H GLU 61 H GLU 61 5.286 8.600 5.933 485 HA GLU 61 HA GLU 61 4.053 6.378 7.330 486 HB2 GLU 61 2HB GLU 61 5.047 8.158 8.664 487 HB3 GLU 61 1HB GLU 61 4.112 9.362 7.796 488 HG2 GLU 61 2HG GLU 61 2.047 8.338 8.718 489 HG3 GLU 61 1HG GLU 61 3.059 7.265 9.681 490 H TYR 62 H TYR 62 2.288 5.652 6.222 491 HA TYR 62 HA TYR 62 0.390 7.715 5.395 492 HB2 TYR 62 2HB TYR 62 0.975 5.067 4.096 493 HB3 TYR 62 1HB TYR 62 -0.447 6.031 3.698 494 HD1 TYR 62 2HD TYR 62 3.193 5.773 3.433 495 HD2 TYR 62 1HD TYR 62 -0.218 8.097 2.405 496 HE1 TYR 62 2HE TYR 62 4.538 7.030 1.820 497 HE2 TYR 62 1HE TYR 62 1.128 9.373 0.782 498 HH TYR 62 HH TYR 62 4.326 8.383 -0.068 499 H ILE 63 H ILE 63 -1.225 7.768 6.628 500 HA ILE 63 HA ILE 63 -2.127 5.296 7.936 501 HB ILE 63 HB ILE 63 -2.475 8.154 8.925 502 HG12 ILE 63 2HG1 ILE 63 -0.736 5.916 10.008 503 HG13 ILE 63 1HG1 ILE 63 -0.154 7.331 9.136 504 HG21 ILE 63 1HG2 ILE 63 -3.246 5.526 10.215 505 HG22 ILE 63 2HG2 ILE 63 -4.360 6.718 9.545 506 HG23 ILE 63 3HG2 ILE 63 -3.388 7.119 10.963 507 HD11 ILE 63 3HD1 ILE 63 0.199 7.596 11.510 508 HD12 ILE 63 1HD1 ILE 63 -1.519 7.323 11.823 509 HD13 ILE 63 2HD1 ILE 63 -0.999 8.757 10.939 510 H ILE 64 H ILE 64 -4.000 4.595 7.263 511 HA ILE 64 HA ILE 64 -5.768 6.491 5.909 512 HB ILE 64 HB ILE 64 -5.508 3.516 5.380 513 HG12 ILE 64 2HG1 ILE 64 -4.518 5.877 3.761 514 HG13 ILE 64 1HG1 ILE 64 -3.503 4.789 4.695 515 HG21 ILE 64 1HG2 ILE 64 -7.725 4.453 4.949 516 HG22 ILE 64 2HG2 ILE 64 -6.930 3.998 3.439 517 HG23 ILE 64 3HG2 ILE 64 -7.016 5.697 3.921 518 HD11 ILE 64 3HD1 ILE 64 -4.196 2.944 3.231 519 HD12 ILE 64 1HD1 ILE 64 -3.390 4.255 2.372 520 HD13 ILE 64 2HD1 ILE 64 -5.145 4.089 2.277 521 H THR 65 H THR 65 -7.556 6.840 6.916 522 HA THR 65 HA THR 65 -8.553 4.915 8.903 523 HB THR 65 HB THR 65 -8.947 7.901 8.809 524 HG1 THR 65 1HG THR 65 -6.798 6.456 9.446 525 HG21 THR 65 3HG2 THR 65 -9.588 7.629 11.161 526 HG22 THR 65 1HG2 THR 65 -9.304 5.892 11.060 527 HG23 THR 65 2HG2 THR 65 -10.598 6.620 10.128 528 H LEU 66 H LEU 66 -10.465 4.063 8.244 529 HA LEU 66 HA LEU 66 -12.283 5.774 6.665 530 HB2 LEU 66 2HB LEU 66 -12.023 2.773 6.523 531 HB3 LEU 66 1HB LEU 66 -13.342 3.666 5.815 532 HG LEU 66 HG LEU 66 -11.549 4.882 4.480 533 HD11 LEU 66 1HD1 LEU 66 -9.533 3.615 4.025 534 HD12 LEU 66 2HD1 LEU 66 -9.955 2.491 5.331 535 HD13 LEU 66 3HD1 LEU 66 -9.640 4.197 5.684 536 HD21 LEU 66 3HD2 LEU 66 -12.242 2.013 4.029 537 HD22 LEU 66 1HD2 LEU 66 -11.507 3.062 2.803 538 HD23 LEU 66 2HD2 LEU 66 -13.094 3.452 3.467 539 H GLY 67 H GLY 67 -14.585 4.999 6.879 540 HA2 GLY 67 2HA GLY 67 -15.286 5.003 9.643 541 HA3 GLY 67 1HA GLY 67 -16.397 4.802 8.286 542 H VAL 68 H VAL 68 -16.208 3.367 10.842 543 HA VAL 68 HA VAL 68 -15.090 0.811 10.686 544 HB VAL 68 HB VAL 68 -17.712 1.530 11.989 545 HG11 VAL 68 1HG1 VAL 68 -17.396 -0.873 11.849 546 HG12 VAL 68 2HG1 VAL 68 -17.234 -0.338 13.523 547 HG13 VAL 68 3HG1 VAL 68 -15.797 -0.728 12.582 548 HG21 VAL 68 3HG2 VAL 68 -15.946 3.011 12.768 549 HG22 VAL 68 1HG2 VAL 68 -14.934 1.623 13.156 550 HG23 VAL 68 2HG2 VAL 68 -16.429 1.899 14.050 551 H HIS 69 H HIS 69 -18.307 1.895 9.737 552 HA HIS 69 HA HIS 69 -19.252 -0.614 8.895 553 HB2 HIS 69 2HB HIS 69 -20.671 1.397 9.422 554 HB3 HIS 69 1HB HIS 69 -20.147 2.103 7.903 555 HD1 HIS 69 1HD HIS 69 -21.294 1.236 5.751 556 HD2 HIS 69 2HD HIS 69 -22.481 -0.747 9.202 557 HE1 HIS 69 1HE HIS 69 -23.326 -0.110 5.123 558 H ASP 70 H ASP 70 -17.577 1.977 7.188 559 HA ASP 70 HA ASP 70 -17.850 1.005 4.515 560 HB2 ASP 70 2HB ASP 70 -16.984 3.347 5.367 561 HB3 ASP 70 1HB ASP 70 -15.456 2.529 5.504 562 H PHE 71 H PHE 71 -15.477 0.717 6.998 563 HA PHE 71 HA PHE 71 -13.401 -0.651 5.755 564 HB2 PHE 71 2HB PHE 71 -13.536 0.594 7.913 565 HB3 PHE 71 1HB PHE 71 -14.300 -0.808 8.637 566 HD1 PHE 71 2HD PHE 71 -11.247 0.578 7.198 567 HD2 PHE 71 1HD PHE 71 -12.949 -2.672 9.335 568 HE1 PHE 71 2HE PHE 71 -8.984 -0.182 7.821 569 HE2 PHE 71 1HE PHE 71 -10.696 -3.450 9.966 570 HZ PHE 71 HZ PHE 71 -8.706 -2.199 9.211 571 H GLU 72 H GLU 72 -16.210 -1.856 7.603 572 HA GLU 72 HA GLU 72 -15.611 -4.587 7.307 573 HB2 GLU 72 2HB GLU 72 -18.243 -3.207 7.821 574 HB3 GLU 72 1HB GLU 72 -17.976 -4.941 7.948 575 HG2 GLU 72 2HG GLU 72 -16.648 -2.808 9.606 576 HG3 GLU 72 1HG GLU 72 -17.927 -3.900 10.135 577 H LYS 73 H LYS 73 -17.478 -2.311 5.361 578 HA LYS 73 HA LYS 73 -18.526 -4.277 3.612 579 HB2 LYS 73 2HB LYS 73 -18.109 -1.327 3.080 580 HB3 LYS 73 1HB LYS 73 -19.089 -2.396 2.105 581 HG2 LYS 73 2HG LYS 73 -19.613 -1.549 4.945 582 HG3 LYS 73 1HG LYS 73 -20.466 -1.003 3.512 583 HD2 LYS 73 2HD LYS 73 -20.437 -3.864 4.491 584 HD3 LYS 73 1HD LYS 73 -21.672 -2.703 4.939 585 HE2 LYS 73 2HE LYS 73 -22.623 -3.972 3.186 586 HE3 LYS 73 1HE LYS 73 -22.142 -2.456 2.439 587 HZ1 LYS 73 3HZ LYS 73 -20.664 -5.037 2.277 588 HZ2 LYS 73 1HZ LYS 73 -20.182 -3.609 1.507 589 HZ3 LYS 73 2HZ LYS 73 -21.608 -4.364 1.079 590 H LEU 74 H LEU 74 -15.502 -2.598 3.759 591 HA LEU 74 HA LEU 74 -14.540 -3.211 1.143 592 HB2 LEU 74 2HB LEU 74 -12.988 -2.922 3.713 593 HB3 LEU 74 1HB LEU 74 -12.275 -3.009 2.129 594 HG LEU 74 HG LEU 74 -13.881 -0.716 3.286 595 HD11 LEU 74 1HD1 LEU 74 -10.989 -1.081 2.553 596 HD12 LEU 74 2HD1 LEU 74 -11.651 -0.820 4.165 597 HD13 LEU 74 3HD1 LEU 74 -11.727 0.456 2.951 598 HD21 LEU 74 3HD2 LEU 74 -12.608 -1.010 0.556 599 HD22 LEU 74 1HD2 LEU 74 -13.389 0.439 1.187 600 HD23 LEU 74 2HD2 LEU 74 -14.344 -1.008 0.860 601 H GLY 75 H GLY 75 -14.448 -4.845 4.253 602 HA2 GLY 75 2HA GLY 75 -13.778 -7.030 4.781 603 HA3 GLY 75 1HA GLY 75 -13.460 -7.324 3.060 604 H ALA 76 H ALA 76 -12.537 -4.842 5.232 605 HA ALA 76 HA ALA 76 -10.119 -4.178 4.091 606 HB1 ALA 76 1HB ALA 76 -11.623 -2.669 5.254 607 HB2 ALA 76 2HB ALA 76 -9.941 -2.551 5.768 608 HB3 ALA 76 3HB ALA 76 -11.117 -3.392 6.779 609 H ASP 77 H ASP 77 -10.338 -6.944 5.547 610 HA ASP 77 HA ASP 77 -8.831 -7.207 7.821 611 HB2 ASP 77 2HB ASP 77 -9.981 -9.006 6.428 612 HB3 ASP 77 1HB ASP 77 -8.527 -9.040 5.436 613 HA PRO 78 HA PRO 78 -5.544 -4.646 6.487 614 HB2 PRO 78 2HB PRO 78 -4.082 -5.720 8.817 615 HB3 PRO 78 1HB PRO 78 -4.425 -4.050 8.353 616 HG2 PRO 78 2HG PRO 78 -5.798 -5.214 10.299 617 HG3 PRO 78 1HG PRO 78 -6.600 -4.141 9.137 618 HD2 PRO 78 2HD PRO 78 -6.630 -7.120 9.301 619 HD3 PRO 78 1HD PRO 78 -7.918 -5.965 8.883 620 H GLU 79 H GLU 79 -4.219 -7.799 7.521 621 HA GLU 79 HA GLU 79 -1.622 -7.328 6.909 622 HB2 GLU 79 2HB GLU 79 -2.542 -9.362 8.040 623 HB3 GLU 79 1HB GLU 79 -2.858 -10.025 6.441 624 HG2 GLU 79 2HG GLU 79 -0.762 -10.847 7.396 625 HG3 GLU 79 1HG GLU 79 -0.501 -9.934 5.908 626 H LEU 80 H LEU 80 -3.856 -8.694 4.546 627 HA LEU 80 HA LEU 80 -1.951 -9.118 2.549 628 HB2 LEU 80 2HB LEU 80 -4.129 -10.212 2.627 629 HB3 LEU 80 1HB LEU 80 -4.917 -8.688 2.293 630 HG LEU 80 HG LEU 80 -3.894 -8.659 0.050 631 HD11 LEU 80 1HD1 LEU 80 -2.828 -11.377 0.821 632 HD12 LEU 80 2HD1 LEU 80 -1.873 -9.915 0.542 633 HD13 LEU 80 3HD1 LEU 80 -2.772 -10.649 -0.785 634 HD21 LEU 80 3HD2 LEU 80 -6.094 -9.628 0.350 635 HD22 LEU 80 1HD2 LEU 80 -5.371 -11.182 0.756 636 HD23 LEU 80 2HD2 LEU 80 -5.187 -10.533 -0.869 637 H LYS 81 H LYS 81 -4.333 -6.401 2.751 638 HA LYS 81 HA LYS 81 -2.676 -5.180 0.729 639 HB2 LYS 81 2HB LYS 81 -5.522 -4.574 1.416 640 HB3 LYS 81 1HB LYS 81 -4.556 -3.431 0.509 641 HG2 LYS 81 2HG LYS 81 -5.152 -6.278 -0.307 642 HG3 LYS 81 1HG LYS 81 -5.896 -4.833 -0.975 643 HD2 LYS 81 2HD LYS 81 -2.965 -5.627 -1.219 644 HD3 LYS 81 1HD LYS 81 -4.172 -5.682 -2.487 645 HE2 LYS 81 2HE LYS 81 -4.396 -3.216 -2.371 646 HE3 LYS 81 1HE LYS 81 -3.152 -3.173 -1.126 647 HZ1 LYS 81 3HZ LYS 81 -1.649 -4.271 -2.876 648 HZ2 LYS 81 1HZ LYS 81 -2.067 -2.689 -3.253 649 HZ3 LYS 81 2HZ LYS 81 -2.839 -3.962 -3.968 650 H SER 82 H SER 82 -2.874 -4.841 4.032 651 HA SER 82 HA SER 82 -2.195 -2.075 4.113 652 HB2 SER 82 2HB SER 82 -2.891 -3.586 6.105 653 HB3 SER 82 1HB SER 82 -1.248 -4.207 6.068 654 HG SER 82 HG SER 82 -0.948 -1.590 6.171 655 H THR 83 H THR 83 -0.358 -5.106 3.993 656 HA THR 83 HA THR 83 2.171 -3.928 3.616 657 HB THR 83 HB THR 83 1.169 -6.682 2.816 658 HG1 THR 83 1HG THR 83 1.019 -6.997 4.914 659 HG21 THR 83 3HG2 THR 83 3.388 -6.116 1.896 660 HG22 THR 83 1HG2 THR 83 3.529 -7.348 3.151 661 HG23 THR 83 2HG2 THR 83 3.942 -5.672 3.509 662 H GLY 84 H GLY 84 -0.412 -5.047 1.507 663 HA2 GLY 84 2HA GLY 84 0.796 -4.855 -0.980 664 HA3 GLY 84 1HA GLY 84 -0.921 -4.636 -0.680 665 H PHE 85 H PHE 85 -1.193 -2.295 0.601 666 HA PHE 85 HA PHE 85 -0.736 -0.377 -1.390 667 HB2 PHE 85 2HB PHE 85 -1.668 -0.201 1.446 668 HB3 PHE 85 1HB PHE 85 -1.250 1.273 0.583 669 HD1 PHE 85 2HD PHE 85 -3.505 -1.650 0.565 670 HD2 PHE 85 1HD PHE 85 -2.707 2.204 -0.992 671 HE1 PHE 85 2HE PHE 85 -5.752 -1.596 -0.435 672 HE2 PHE 85 1HE PHE 85 -4.945 2.286 -1.983 673 HZ PHE 85 HZ PHE 85 -6.482 0.380 -1.714 674 H ALA 86 H ALA 86 1.078 -1.189 1.508 675 HA ALA 86 HA ALA 86 2.861 0.988 1.387 676 HB1 ALA 86 1HB ALA 86 3.400 -1.774 2.503 677 HB2 ALA 86 2HB ALA 86 2.601 -0.463 3.373 678 HB3 ALA 86 3HB ALA 86 4.283 -0.290 2.884 679 H ARG 87 H ARG 87 2.886 -2.196 -0.074 680 HA ARG 87 HA ARG 87 5.435 -2.004 -1.295 681 HB2 ARG 87 2HB ARG 87 4.152 -4.115 -0.890 682 HB3 ARG 87 1HB ARG 87 3.060 -3.644 -2.184 683 HG2 ARG 87 2HG ARG 87 5.033 -3.636 -3.723 684 HG3 ARG 87 1HG ARG 87 5.983 -4.319 -2.403 685 HD2 ARG 87 2HD ARG 87 4.308 -6.144 -2.245 686 HD3 ARG 87 1HD ARG 87 3.553 -5.516 -3.706 687 HE ARG 87 HE ARG 87 6.310 -6.502 -3.556 688 HH11 ARG 87 1HH1 ARG 87 3.295 -6.065 -5.422 689 HH12 ARG 87 2HH1 ARG 87 3.774 -7.057 -6.695 690 HH21 ARG 87 1HH2 ARG 87 6.922 -7.953 -5.309 691 HH22 ARG 87 2HH2 ARG 87 5.858 -8.182 -6.620 692 H ASP 88 H ASP 88 2.129 -1.310 -2.402 693 HA ASP 88 HA ASP 88 2.730 -0.563 -5.035 694 HB2 ASP 88 2HB ASP 88 0.490 0.360 -3.206 695 HB3 ASP 88 1HB ASP 88 0.667 1.014 -4.820 696 H LEU 89 H LEU 89 2.550 1.477 -2.142 697 HA LEU 89 HA LEU 89 3.428 3.780 -3.517 698 HB2 LEU 89 2HB LEU 89 3.266 3.136 -0.609 699 HB3 LEU 89 1HB LEU 89 3.856 4.677 -1.201 700 HG LEU 89 HG LEU 89 1.099 3.561 -1.725 701 HD11 LEU 89 1HD1 LEU 89 1.444 4.139 0.603 702 HD12 LEU 89 2HD1 LEU 89 0.378 5.314 -0.178 703 HD13 LEU 89 3HD1 LEU 89 2.066 5.716 0.134 704 HD21 LEU 89 3HD2 LEU 89 2.326 6.256 -2.336 705 HD22 LEU 89 1HD2 LEU 89 0.631 5.826 -2.571 706 HD23 LEU 89 2HD2 LEU 89 1.884 5.035 -3.521 707 H ALA 90 H ALA 90 5.187 1.274 -1.837 708 HA ALA 90 HA ALA 90 7.681 2.579 -1.759 709 HB1 ALA 90 1HB ALA 90 8.669 0.338 -1.580 710 HB2 ALA 90 2HB ALA 90 7.137 -0.381 -2.077 711 HB3 ALA 90 3HB ALA 90 7.247 0.482 -0.542 712 H ASP 91 H ASP 91 6.066 0.716 -4.230 713 HA ASP 91 HA ASP 91 8.232 0.794 -6.075 714 HB2 ASP 91 2HB ASP 91 6.433 -0.881 -6.294 715 HB3 ASP 91 1HB ASP 91 5.286 0.401 -6.654 716 H TYR 92 H TYR 92 5.339 2.750 -5.599 717 HA TYR 92 HA TYR 92 5.683 4.557 -7.686 718 HB2 TYR 92 2HB TYR 92 4.354 4.809 -5.034 719 HB3 TYR 92 1HB TYR 92 4.618 6.257 -5.990 720 HD1 TYR 92 1HD TYR 92 3.771 6.236 -8.383 721 HD2 TYR 92 2HD TYR 92 2.483 3.480 -5.432 722 HE1 TYR 92 1HE TYR 92 1.759 5.823 -9.691 723 HE2 TYR 92 2HE TYR 92 0.450 3.033 -6.722 724 HH TYR 92 HH TYR 92 0.024 4.110 -9.947 725 H ILE 93 H ILE 93 6.903 4.919 -4.346 726 HA ILE 93 HA ILE 93 8.126 7.312 -4.924 727 HB ILE 93 HB ILE 93 9.569 7.052 -2.929 728 HG12 ILE 93 2HG1 ILE 93 8.696 5.111 -1.462 729 HG13 ILE 93 1HG1 ILE 93 8.482 4.277 -2.991 730 HG21 ILE 93 1HG2 ILE 93 6.652 6.453 -2.569 731 HG22 ILE 93 2HG2 ILE 93 7.417 8.040 -2.671 732 HG23 ILE 93 3HG2 ILE 93 7.731 6.996 -1.289 733 HD11 ILE 93 3HD1 ILE 93 11.084 5.390 -1.915 734 HD12 ILE 93 1HD1 ILE 93 10.880 4.644 -3.501 735 HD13 ILE 93 2HD1 ILE 93 10.644 3.689 -2.036 736 H GLN 94 H GLN 94 9.359 4.093 -5.361 737 HA GLN 94 HA GLN 94 11.970 4.808 -6.172 738 HB2 GLN 94 2HB GLN 94 10.221 2.462 -6.797 739 HB3 GLN 94 1HB GLN 94 11.848 2.655 -7.432 740 HG2 GLN 94 2HG GLN 94 12.748 2.632 -5.176 741 HG3 GLN 94 1HG GLN 94 11.120 2.603 -4.503 742 HE21 GLN 94 1HE2 GLN 94 11.521 0.744 -3.400 743 HE22 GLN 94 2HE2 GLN 94 11.648 -0.805 -4.134 744 H GLU 95 H GLU 95 9.026 4.113 -8.047 745 HA GLU 95 HA GLU 95 9.916 4.396 -10.600 746 HB2 GLU 95 2HB GLU 95 7.572 3.900 -9.300 747 HB3 GLU 95 1HB GLU 95 7.254 5.474 -10.001 748 HG2 GLU 95 2HG GLU 95 8.191 3.079 -11.503 749 HG3 GLU 95 1HG GLU 95 6.501 3.551 -11.352 750 H GLN 96 H GLN 96 8.458 6.974 -8.519 751 HA GLN 96 HA GLN 96 8.946 8.990 -10.435 752 HB2 GLN 96 2HB GLN 96 8.074 9.006 -7.591 753 HB3 GLN 96 1HB GLN 96 8.382 10.483 -8.479 754 HG2 GLN 96 2HG GLN 96 6.127 10.098 -8.512 755 HG3 GLN 96 1HG GLN 96 6.705 9.709 -10.151 756 HE21 GLN 96 1HE2 GLN 96 6.479 7.550 -10.807 757 HE22 GLN 96 2HE2 GLN 96 5.505 6.431 -9.931 758 H GLY 97 H GLY 97 11.047 7.549 -8.193 759 HA2 GLY 97 2HA GLY 97 13.315 8.034 -7.965 760 HA3 GLY 97 1HA GLY 97 13.057 9.526 -8.863 761 H TRP 98 H TRP 98 11.335 8.450 -6.025 762 HA TRP 98 HA TRP 98 12.331 10.782 -4.547 763 HB2 TRP 98 2HB TRP 98 9.809 9.158 -4.124 764 HB3 TRP 98 1HB TRP 98 10.315 10.543 -3.173 765 HD1 TRP 98 HD TRP 98 11.081 12.334 -5.826 766 HE1 TRP 98 1HE TRP 98 9.146 13.395 -7.123 767 HE3 TRP 98 3HE TRP 98 7.275 9.347 -4.190 768 HZ2 TRP 98 2HZ TRP 98 6.353 13.047 -7.404 769 HZ3 TRP 98 3HZ TRP 98 4.997 9.787 -5.008 770 HH2 TRP 98 HH TRP 98 4.546 11.597 -6.579 771 H GLN 99 H GLN 99 12.671 10.413 -2.283 772 HA GLN 99 HA GLN 99 13.211 7.611 -1.581 773 HB2 GLN 99 2HB GLN 99 15.218 8.338 -0.356 774 HB3 GLN 99 1HB GLN 99 15.346 8.638 -2.082 775 HG2 GLN 99 2HG GLN 99 15.001 10.974 -1.786 776 HG3 GLN 99 1HG GLN 99 14.560 10.750 -0.094 777 HE21 GLN 99 1HE2 GLN 99 16.720 12.335 -1.384 778 HE22 GLN 99 2HE2 GLN 99 18.169 11.758 -0.624 779 H THR 100 H THR 100 13.596 7.543 0.932 780 HA THR 100 HA THR 100 12.368 9.600 2.409 781 HB THR 100 HB THR 100 10.368 8.400 1.412 782 HG1 THR 100 1HG THR 100 9.673 9.288 3.112 783 HG21 THR 100 3HG2 THR 100 11.256 6.102 1.420 784 HG22 THR 100 1HG2 THR 100 9.752 6.191 2.340 785 HG23 THR 100 2HG2 THR 100 11.299 6.119 3.182 786 H TYR 101 H TYR 101 12.469 9.002 4.743 787 HA TYR 101 HA TYR 101 14.741 7.191 5.079 788 HB2 TYR 101 2HB TYR 101 13.565 9.248 6.965 789 HB3 TYR 101 1HB TYR 101 14.920 8.196 7.377 790 HD1 TYR 101 2HD TYR 101 16.945 8.312 5.679 791 HD2 TYR 101 1HD TYR 101 14.004 11.354 6.124 792 HE1 TYR 101 2HE TYR 101 18.501 9.949 4.698 793 HE2 TYR 101 1HE TYR 101 15.553 12.995 5.141 794 HH TYR 101 HH TYR 101 17.984 13.261 4.900 795 H GLY 102 H GLY 102 14.358 5.231 5.716 796 HA2 GLY 102 2HA GLY 102 13.388 3.703 7.284 797 HA3 GLY 102 1HA GLY 102 11.936 4.712 7.286 798 H ASP 103 H ASP 103 10.628 2.964 6.655 799 HA ASP 103 HA ASP 103 10.829 2.488 3.774 800 HB2 ASP 103 2HB ASP 103 11.225 0.424 5.357 801 HB3 ASP 103 1HB ASP 103 9.501 0.543 5.664 802 H VAL 104 H VAL 104 8.600 2.000 2.949 803 HA VAL 104 HA VAL 104 6.838 4.109 3.884 804 HB VAL 104 HB VAL 104 6.523 2.210 1.535 805 HG11 VAL 104 1HG1 VAL 104 4.874 3.825 0.712 806 HG12 VAL 104 2HG1 VAL 104 5.052 4.757 2.198 807 HG13 VAL 104 3HG1 VAL 104 4.387 3.123 2.254 808 HG21 VAL 104 3HG2 VAL 104 7.228 4.105 0.139 809 HG22 VAL 104 1HG2 VAL 104 8.495 3.617 1.265 810 HG23 VAL 104 2HG2 VAL 104 7.528 5.056 1.594 811 H VAL 105 H VAL 105 5.351 3.695 5.345 812 HA VAL 105 HA VAL 105 4.312 0.984 5.526 813 HB VAL 105 HB VAL 105 3.984 1.355 7.991 814 HG11 VAL 105 1HG1 VAL 105 6.827 1.556 7.018 815 HG12 VAL 105 2HG1 VAL 105 5.882 0.078 7.173 816 HG13 VAL 105 3HG1 VAL 105 6.329 0.993 8.614 817 HG21 VAL 105 3HG2 VAL 105 5.733 3.786 7.547 818 HG22 VAL 105 1HG2 VAL 105 5.253 3.140 9.117 819 HG23 VAL 105 2HG2 VAL 105 4.037 3.811 8.029 820 H VAL 106 H VAL 106 2.279 0.797 5.145 821 HA VAL 106 HA VAL 106 0.560 3.151 5.381 822 HB VAL 106 HB VAL 106 0.224 0.715 3.592 823 HG11 VAL 106 1HG1 VAL 106 -1.915 1.613 4.346 824 HG12 VAL 106 2HG1 VAL 106 -1.672 1.936 2.629 825 HG13 VAL 106 3HG1 VAL 106 -1.439 3.222 3.812 826 HG21 VAL 106 3HG2 VAL 106 0.809 3.573 2.824 827 HG22 VAL 106 1HG2 VAL 106 0.645 2.203 1.736 828 HG23 VAL 106 2HG2 VAL 106 2.006 2.281 2.861 829 H ARG 107 H ARG 107 -0.646 3.045 7.083 830 HA ARG 107 HA ARG 107 -1.401 0.406 8.159 831 HB2 ARG 107 2HB ARG 107 -1.184 3.048 9.604 832 HB3 ARG 107 1HB ARG 107 -1.632 1.515 10.329 833 HG2 ARG 107 2HG ARG 107 0.599 0.634 9.855 834 HG3 ARG 107 1HG ARG 107 1.045 2.170 9.104 835 HD2 ARG 107 2HD ARG 107 0.577 3.307 11.238 836 HD3 ARG 107 1HD ARG 107 0.227 1.750 11.975 837 HE ARG 107 HE ARG 107 2.775 1.628 10.845 838 HH11 ARG 107 1HH1 ARG 107 1.101 3.215 13.509 839 HH12 ARG 107 2HH1 ARG 107 2.483 3.409 14.475 840 HH21 ARG 107 1HH2 ARG 107 4.719 1.912 12.159 841 HH22 ARG 107 2HH2 ARG 107 4.582 2.639 13.692 842 H PHE 108 H PHE 108 -3.516 -0.024 8.379 843 HA PHE 108 HA PHE 108 -5.407 2.093 7.647 844 HB2 PHE 108 2HB PHE 108 -5.640 -0.926 7.461 845 HB3 PHE 108 1HB PHE 108 -7.013 0.146 7.283 846 HD1 PHE 108 1HD PHE 108 -3.740 -0.759 5.791 847 HD2 PHE 108 2HD PHE 108 -7.490 1.188 5.278 848 HE1 PHE 108 1HE PHE 108 -3.307 -0.546 3.371 849 HE2 PHE 108 2HE PHE 108 -7.058 1.402 2.874 850 HZ PHE 108 HZ PHE 108 -4.964 0.531 1.921 851 H GLU 109 H GLU 109 -7.148 2.502 8.936 852 HA GLU 109 HA GLU 109 -7.664 0.845 11.225 853 HB2 GLU 109 2HB GLU 109 -7.626 2.708 12.830 854 HB3 GLU 109 1HB GLU 109 -6.027 2.436 12.151 855 HG2 GLU 109 2HG GLU 109 -6.190 4.364 10.793 856 HG3 GLU 109 1HG GLU 109 -7.911 4.526 11.131 857 H GLN 110 H GLN 110 -9.649 1.737 12.357 858 HA GLN 110 HA GLN 110 -11.304 3.034 10.390 859 HB2 GLN 110 2HB GLN 110 -13.248 1.696 11.456 860 HB3 GLN 110 1HB GLN 110 -12.223 0.934 10.256 861 HG2 GLN 110 2HG GLN 110 -12.587 -0.626 11.909 862 HG3 GLN 110 1HG GLN 110 -10.928 -0.043 12.130 863 HE21 GLN 110 1HE2 GLN 110 -14.039 -0.419 13.492 864 HE22 GLN 110 2HE2 GLN 110 -13.695 0.211 15.059 865 H SER 111 H SER 111 -13.129 4.003 11.196 866 HA SER 111 HA SER 111 -12.723 5.327 13.781 867 HB2 SER 111 2HB SER 111 -11.672 6.722 12.075 868 HB3 SER 111 1HB SER 111 -13.137 6.670 11.101 869 HG SER 111 HG SER 111 -12.768 7.858 13.634 870 H SER 112 H SER 112 -14.587 5.666 14.819 871 HA SER 112 HA SER 112 -17.048 4.772 13.642 872 HB2 SER 112 2HB SER 112 -16.466 4.344 16.038 873 HB3 SER 112 1HB SER 112 -16.533 6.078 16.336 874 HG SER 112 HG SER 112 -18.774 5.225 15.106 875 H ASN 113 H ASN 113 -15.297 7.675 13.938 876 HA ASN 113 HA ASN 113 -17.457 9.545 13.825 877 HB2 ASN 113 2HB ASN 113 -15.248 10.182 14.721 878 HB3 ASN 113 1HB ASN 113 -14.512 9.861 13.165 879 HD21 ASN 113 1HD2 ASN 113 -13.704 11.970 13.172 880 HD22 ASN 113 2HD2 ASN 113 -14.711 13.338 12.819 881 H LEU 114 H LEU 114 -15.449 7.918 11.487 882 HA LEU 114 HA LEU 114 -16.652 9.397 9.301 883 HB2 LEU 114 2HB LEU 114 -14.633 7.159 9.276 884 HB3 LEU 114 1HB LEU 114 -15.195 8.019 7.859 885 HG LEU 114 HG LEU 114 -13.628 9.220 10.141 886 HD11 LEU 114 1HD1 LEU 114 -12.835 8.569 7.311 887 HD12 LEU 114 2HD1 LEU 114 -12.299 7.728 8.765 888 HD13 LEU 114 3HD1 LEU 114 -11.836 9.411 8.495 889 HD21 LEU 114 3HD2 LEU 114 -15.140 10.861 9.167 890 HD22 LEU 114 1HD2 LEU 114 -14.586 10.429 7.548 891 HD23 LEU 114 2HD2 LEU 114 -13.479 11.202 8.683 892 H HIS 115 H HIS 115 -17.731 8.345 7.557 893 HA HIS 115 HA HIS 115 -19.042 5.869 8.307 894 HB2 HIS 115 2HB HIS 115 -20.259 8.409 7.273 895 HB3 HIS 115 1HB HIS 115 -21.062 6.865 7.041 896 HD1 HIS 115 1HD HIS 115 -20.941 9.614 9.393 897 HD2 HIS 115 2HD HIS 115 -21.394 5.491 9.672 898 HE1 HIS 115 1HE HIS 115 -21.938 9.174 11.650 899 H THR 116 H THR 116 -20.264 5.006 6.247 900 HA THR 116 HA THR 116 -18.296 4.227 4.426 901 HB THR 116 HB THR 116 -21.274 4.164 3.919 902 HG1 THR 116 1HG THR 116 -21.144 3.246 5.846 903 HG21 THR 116 3HG2 THR 116 -19.015 2.311 3.146 904 HG22 THR 116 1HG2 THR 116 -19.839 3.438 2.071 905 HG23 THR 116 2HG2 THR 116 -20.719 2.066 2.754 906 H GLY 117 H GLY 117 -17.496 5.060 2.699 907 HA2 GLY 117 2HA GLY 117 -17.533 6.325 0.684 908 HA3 GLY 117 1HA GLY 117 -18.856 7.284 1.344 909 H GLN 118 H GLN 118 -16.845 6.959 3.847 910 HA GLN 118 HA GLN 118 -15.386 9.415 3.189 911 HB2 GLN 118 2HB GLN 118 -16.512 8.503 5.828 912 HB3 GLN 118 1HB GLN 118 -15.540 9.948 5.588 913 HG2 GLN 118 2HG GLN 118 -17.196 10.939 4.251 914 HG3 GLN 118 1HG GLN 118 -18.147 9.453 4.207 915 HE21 GLN 118 1HE2 GLN 118 -19.978 10.374 5.130 916 HE22 GLN 118 2HE2 GLN 118 -20.049 10.888 6.767 917 H PHE 119 H PHE 119 -13.329 9.088 3.088 918 HA PHE 119 HA PHE 119 -12.042 7.305 5.017 919 HB2 PHE 119 2HB PHE 119 -10.656 6.237 3.376 920 HB3 PHE 119 1HB PHE 119 -12.310 6.069 2.793 921 HD1 PHE 119 2HD PHE 119 -13.027 7.416 0.833 922 HD2 PHE 119 1HD PHE 119 -9.007 7.417 2.221 923 HE1 PHE 119 2HE PHE 119 -12.280 8.373 -1.300 924 HE2 PHE 119 1HE PHE 119 -8.258 8.369 0.103 925 HZ PHE 119 HZ PHE 119 -9.892 8.852 -1.669 926 H ARG 120 H ARG 120 -9.971 8.029 5.546 927 HA ARG 120 HA ARG 120 -9.064 10.425 4.146 928 HB2 ARG 120 2HB ARG 120 -8.972 10.008 7.136 929 HB3 ARG 120 1HB ARG 120 -8.256 11.360 6.278 930 HG2 ARG 120 2HG ARG 120 -10.515 12.039 5.549 931 HG3 ARG 120 1HG ARG 120 -11.184 10.722 6.514 932 HD2 ARG 120 2HD ARG 120 -9.586 13.068 7.507 933 HD3 ARG 120 1HD ARG 120 -11.306 12.767 7.749 934 HE ARG 120 HE ARG 120 -9.312 10.892 8.795 935 HH11 ARG 120 1HH1 ARG 120 -11.998 13.133 9.395 936 HH12 ARG 120 2HH1 ARG 120 -12.048 12.829 11.062 937 HH21 ARG 120 1HH2 ARG 120 -9.420 10.432 11.035 938 HH22 ARG 120 2HH2 ARG 120 -10.569 11.198 12.034 939 H ALA 121 H ALA 121 -6.994 10.303 3.592 940 HA ALA 121 HA ALA 121 -5.355 8.269 4.887 941 HB1 ALA 121 1HB ALA 121 -5.630 8.791 1.925 942 HB2 ALA 121 2HB ALA 121 -6.096 7.324 2.777 943 HB3 ALA 121 3HB ALA 121 -4.393 7.773 2.652 944 H ARG 122 H ARG 122 -3.465 9.090 5.491 945 HA ARG 122 HA ARG 122 -2.714 11.693 4.344 946 HB2 ARG 122 2HB ARG 122 -2.379 10.712 7.151 947 HB3 ARG 122 1HB ARG 122 -1.518 12.093 6.501 948 HG2 ARG 122 2HG ARG 122 -3.752 13.106 6.003 949 HG3 ARG 122 1HG ARG 122 -4.466 11.797 6.963 950 HD2 ARG 122 2HD ARG 122 -4.066 13.816 8.254 951 HD3 ARG 122 1HD ARG 122 -3.117 12.447 8.873 952 HE ARG 122 HE ARG 122 -2.028 14.533 7.096 953 HH11 ARG 122 1HH1 ARG 122 -1.648 12.462 9.969 954 HH12 ARG 122 2HH1 ARG 122 -0.099 13.030 10.331 955 HH21 ARG 122 1HH2 ARG 122 0.126 15.289 7.612 956 HH22 ARG 122 2HH2 ARG 122 0.939 14.645 8.964 957 H GLY 123 H GLY 123 -0.566 12.171 4.270 958 HA2 GLY 123 2HA GLY 123 1.293 9.913 4.507 959 HA3 GLY 123 1HA GLY 123 1.246 10.855 3.022 960 H THR 124 H THR 124 2.641 10.571 6.044 961 HA THR 124 HA THR 124 3.578 13.349 6.038 962 HB THR 124 HB THR 124 3.918 11.443 8.330 963 HG1 THR 124 1HG THR 124 1.927 11.476 8.815 964 HG21 THR 124 3HG2 THR 124 3.714 13.507 9.616 965 HG22 THR 124 1HG2 THR 124 3.402 14.389 8.113 966 HG23 THR 124 2HG2 THR 124 4.973 13.624 8.373 967 H VAL 125 H VAL 125 5.863 13.644 6.182 968 HA VAL 125 HA VAL 125 7.528 11.315 5.672 969 HB VAL 125 HB VAL 125 8.351 14.226 6.059 970 HG11 VAL 125 1HG1 VAL 125 10.152 12.655 6.570 971 HG12 VAL 125 2HG1 VAL 125 10.501 13.527 5.078 972 HG13 VAL 125 3HG1 VAL 125 9.925 11.863 5.013 973 HG21 VAL 125 3HG2 VAL 125 8.102 12.655 3.500 974 HG22 VAL 125 1HG2 VAL 125 8.643 14.323 3.641 975 HG23 VAL 125 2HG2 VAL 125 6.967 13.901 4.030 976 H ASN 126 H ASN 126 7.853 10.137 7.427 977 HA ASN 126 HA ASN 126 8.288 11.523 9.969 978 HB2 ASN 126 2HB ASN 126 6.340 10.050 10.026 979 HB3 ASN 126 1HB ASN 126 7.310 8.706 9.435 980 HD21 ASN 126 1HD2 ASN 126 6.903 7.420 11.238 981 HD22 ASN 126 2HD2 ASN 126 7.615 7.765 12.765 982 HA PRO 127 HA PRO 127 12.374 9.750 9.168 983 HB2 PRO 127 2HB PRO 127 13.793 11.554 10.577 984 HB3 PRO 127 1HB PRO 127 13.178 11.919 8.965 985 HG2 PRO 127 2HG PRO 127 12.107 12.736 11.625 986 HG3 PRO 127 1HG PRO 127 12.208 13.672 10.125 987 HD2 PRO 127 2HD PRO 127 9.928 12.417 11.051 988 HD3 PRO 127 1HD PRO 127 10.218 12.838 9.351 989 H ASP 128 H ASP 128 10.551 10.264 11.995 990 HA ASP 128 HA ASP 128 12.445 8.780 13.624 991 HB2 ASP 128 2HB ASP 128 11.590 10.797 14.743 992 HB3 ASP 128 1HB ASP 128 9.934 10.233 14.519 993 H VAL 129 H VAL 129 12.084 7.170 12.258 994 HA VAL 129 HA VAL 129 9.914 5.444 13.109 995 HB VAL 129 HB VAL 129 9.383 6.247 10.840 996 HG11 VAL 129 1HG1 VAL 129 11.595 6.857 10.068 997 HG12 VAL 129 2HG1 VAL 129 10.813 5.776 8.919 998 HG13 VAL 129 3HG1 VAL 129 12.063 5.160 10.005 999 HG21 VAL 129 3HG2 VAL 129 8.778 3.960 11.364 1000 HG22 VAL 129 1HG2 VAL 129 10.352 3.394 10.810 1001 HG23 VAL 129 2HG2 VAL 129 9.216 4.109 9.662 1002 H GLU 130 H GLU 130 10.638 3.557 13.769 1003 HA GLU 130 HA GLU 130 13.465 3.107 13.873 1004 HB2 GLU 130 2HB GLU 130 11.217 1.270 14.695 1005 HB3 GLU 130 1HB GLU 130 12.914 1.084 15.118 1006 HG2 GLU 130 2HG GLU 130 12.840 3.177 16.351 1007 HG3 GLU 130 1HG GLU 130 11.142 3.351 15.918 1008 H THR 131 H THR 131 14.573 2.052 12.504 1009 HA THR 131 HA THR 131 13.223 0.302 10.621 1010 HB THR 131 HB THR 131 13.567 2.496 9.518 1011 HG1 THR 131 1HG THR 131 15.399 1.265 8.029 1012 HG21 THR 131 3HG2 THR 131 15.550 3.266 10.741 1013 HG22 THR 131 1HG2 THR 131 15.861 3.276 9.005 1014 HG23 THR 131 2HG2 THR 131 16.512 1.983 10.011 1015 H HIS 132 H HIS 132 14.700 -1.187 9.581 1016 HA HIS 132 HA HIS 132 17.164 -1.646 10.945 1017 HB2 HIS 132 2HB HIS 132 16.513 -4.142 11.142 1018 HB3 HIS 132 1HB HIS 132 15.847 -3.038 12.332 1019 HD1 HIS 132 1HD HIS 132 14.838 -5.364 9.581 1020 HD2 HIS 132 2HD HIS 132 13.078 -2.607 12.142 1021 HE1 HIS 132 1HE HIS 132 12.349 -5.795 9.476 Start of MODEL 28 1 H1 MET 1 1HT MET 1 8.489 -41.036 18.826 2 H2 MET 1 2HT MET 1 8.285 -40.446 20.398 3 H3 MET 1 3HT MET 1 9.710 -41.246 19.951 4 HA MET 1 HA MET 1 8.796 -38.720 18.783 5 HB2 MET 1 2HB MET 1 10.655 -37.658 19.995 6 HB3 MET 1 1HB MET 1 9.540 -38.393 21.126 7 HG2 MET 1 2HG MET 1 12.160 -39.610 20.247 8 HG3 MET 1 1HG MET 1 11.933 -38.678 21.724 9 HE1 MET 1 2HE MET 1 9.129 -39.682 22.823 10 HE2 MET 1 3HE MET 1 10.572 -39.548 23.830 11 HE3 MET 1 1HE MET 1 9.623 -41.036 23.841 12 H GLY 2 H GLY 2 9.952 -38.082 17.017 13 HA2 GLY 2 2HA GLY 2 11.755 -38.052 15.551 14 HA3 GLY 2 1HA GLY 2 12.429 -39.450 16.379 15 H SER 3 H SER 3 9.185 -39.929 15.705 16 HA SER 3 HA SER 3 9.859 -41.648 13.431 17 HB2 SER 3 2HB SER 3 7.384 -41.618 15.180 18 HB3 SER 3 1HB SER 3 7.842 -42.860 14.018 19 HG SER 3 HG SER 3 9.888 -42.810 15.455 20 H GLN 4 H GLN 4 9.397 -38.692 13.373 21 HA GLN 4 HA GLN 4 6.856 -38.490 11.907 22 HB2 GLN 4 2HB GLN 4 8.681 -36.297 12.889 23 HB3 GLN 4 1HB GLN 4 7.119 -36.084 12.129 24 HG2 GLN 4 2HG GLN 4 6.048 -37.142 14.056 25 HG3 GLN 4 1HG GLN 4 7.635 -37.361 14.802 26 HE21 GLN 4 1HE2 GLN 4 5.356 -35.808 15.762 27 HE22 GLN 4 2HE2 GLN 4 5.948 -34.199 15.932 28 H LYS 5 H LYS 5 6.878 -37.209 9.988 29 HA LYS 5 HA LYS 5 9.451 -36.853 8.694 30 HB2 LYS 5 2HB LYS 5 6.900 -37.940 7.508 31 HB3 LYS 5 1HB LYS 5 8.005 -37.040 6.489 32 HG2 LYS 5 2HG LYS 5 8.469 -39.327 6.128 33 HG3 LYS 5 1HG LYS 5 9.777 -38.721 7.132 34 HD2 LYS 5 2HD LYS 5 8.630 -39.679 9.114 35 HD3 LYS 5 1HD LYS 5 7.408 -40.354 8.034 36 HE2 LYS 5 2HE LYS 5 10.365 -40.975 7.990 37 HE3 LYS 5 1HE LYS 5 9.096 -42.028 8.599 38 HZ1 LYS 5 3HZ LYS 5 8.195 -42.211 6.376 39 HZ2 LYS 5 1HZ LYS 5 9.811 -42.640 6.373 40 HZ3 LYS 5 2HZ LYS 5 9.341 -41.152 5.748 41 H ARG 6 H ARG 6 9.753 -34.745 8.903 42 HA ARG 6 HA ARG 6 7.485 -32.963 8.810 43 HB2 ARG 6 2HB ARG 6 10.420 -32.422 9.291 44 HB3 ARG 6 1HB ARG 6 9.213 -31.155 9.171 45 HG2 ARG 6 2HG ARG 6 9.253 -33.357 11.242 46 HG3 ARG 6 1HG ARG 6 9.723 -31.674 11.500 47 HD2 ARG 6 2HD ARG 6 6.963 -32.688 10.770 48 HD3 ARG 6 1HD ARG 6 7.466 -32.033 12.320 49 HE ARG 6 HE ARG 6 7.903 -29.903 11.068 50 HH11 ARG 6 1HH1 ARG 6 5.366 -32.162 10.001 51 HH12 ARG 6 2HH1 ARG 6 4.486 -30.967 9.186 52 HH21 ARG 6 1HH2 ARG 6 6.676 -28.304 9.959 53 HH22 ARG 6 2HH2 ARG 6 5.231 -28.710 9.150 54 H LEU 7 H LEU 7 6.675 -32.678 6.935 55 HA LEU 7 HA LEU 7 8.406 -31.647 4.861 56 HB2 LEU 7 2HB LEU 7 6.964 -32.843 3.180 57 HB3 LEU 7 1HB LEU 7 8.016 -33.873 4.110 58 HG LEU 7 HG LEU 7 5.928 -34.363 5.556 59 HD11 LEU 7 1HD1 LEU 7 4.474 -32.610 4.736 60 HD12 LEU 7 2HD1 LEU 7 3.783 -34.201 4.423 61 HD13 LEU 7 3HD1 LEU 7 4.539 -33.296 3.109 62 HD21 LEU 7 3HD2 LEU 7 5.192 -36.120 4.017 63 HD22 LEU 7 1HD2 LEU 7 6.948 -36.003 4.110 64 HD23 LEU 7 2HD2 LEU 7 6.096 -35.342 2.715 65 H VAL 8 H VAL 8 7.398 -30.092 3.518 66 HA VAL 8 HA VAL 8 4.740 -29.313 4.334 67 HB VAL 8 HB VAL 8 6.196 -27.869 5.671 68 HG11 VAL 8 1HG1 VAL 8 7.457 -27.035 3.082 69 HG12 VAL 8 2HG1 VAL 8 8.218 -27.954 4.385 70 HG13 VAL 8 3HG1 VAL 8 7.736 -26.272 4.646 71 HG21 VAL 8 3HG2 VAL 8 4.147 -26.848 4.861 72 HG22 VAL 8 1HG2 VAL 8 4.960 -26.355 3.375 73 HG23 VAL 8 2HG2 VAL 8 5.440 -25.652 4.918 74 H GLN 9 H GLN 9 3.508 -28.917 2.659 75 HA GLN 9 HA GLN 9 4.807 -28.574 0.056 76 HB2 GLN 9 2HB GLN 9 2.298 -30.087 0.757 77 HB3 GLN 9 1HB GLN 9 2.828 -29.756 -0.886 78 HG2 GLN 9 2HG GLN 9 4.395 -31.332 1.143 79 HG3 GLN 9 1HG GLN 9 3.377 -32.028 -0.114 80 HE21 GLN 9 1HE2 GLN 9 6.358 -30.333 0.539 81 HE22 GLN 9 2HE2 GLN 9 7.080 -30.636 -0.988 82 H ARG 10 H ARG 10 4.176 -26.888 -1.090 83 HA ARG 10 HA ARG 10 2.153 -25.215 0.146 84 HB2 ARG 10 2HB ARG 10 4.420 -24.281 -0.434 85 HB3 ARG 10 1HB ARG 10 4.018 -24.517 -2.128 86 HG2 ARG 10 2HG ARG 10 2.215 -22.950 -1.979 87 HG3 ARG 10 1HG ARG 10 2.444 -22.783 -0.238 88 HD2 ARG 10 2HD ARG 10 4.328 -21.930 -2.435 89 HD3 ARG 10 1HD ARG 10 3.442 -20.888 -1.323 90 HE ARG 10 HE ARG 10 5.688 -22.646 -0.638 91 HH11 ARG 10 1HH1 ARG 10 3.675 -19.836 0.204 92 HH12 ARG 10 2HH1 ARG 10 4.659 -19.327 1.488 93 HH21 ARG 10 1HH2 ARG 10 7.065 -21.894 1.162 94 HH22 ARG 10 2HH2 ARG 10 6.593 -20.509 2.037 95 H VAL 11 H VAL 11 0.218 -25.912 -0.479 96 HA VAL 11 HA VAL 11 -0.241 -26.540 -3.283 97 HB VAL 11 HB VAL 11 -1.298 -27.918 -1.445 98 HG11 VAL 11 1HG1 VAL 11 -3.318 -27.106 -0.332 99 HG12 VAL 11 2HG1 VAL 11 -2.982 -25.493 -0.966 100 HG13 VAL 11 3HG1 VAL 11 -1.851 -26.256 0.148 101 HG21 VAL 11 3HG2 VAL 11 -3.227 -26.642 -3.381 102 HG22 VAL 11 1HG2 VAL 11 -3.528 -28.135 -2.492 103 HG23 VAL 11 2HG2 VAL 11 -2.222 -28.061 -3.675 104 H GLU 12 H GLU 12 -0.061 -23.942 -1.408 105 HA GLU 12 HA GLU 12 -2.084 -22.212 -2.362 106 HB2 GLU 12 2HB GLU 12 0.665 -21.632 -1.260 107 HB3 GLU 12 1HB GLU 12 -0.551 -20.418 -1.601 108 HG2 GLU 12 2HG GLU 12 -0.836 -22.654 0.386 109 HG3 GLU 12 1HG GLU 12 -0.428 -20.979 0.766 110 H ARG 13 H ARG 13 -2.116 -20.946 -4.093 111 HA ARG 13 HA ARG 13 -1.641 -19.867 -5.947 112 HB2 ARG 13 2HB ARG 13 1.286 -20.271 -5.314 113 HB3 ARG 13 1HB ARG 13 0.622 -19.126 -6.468 114 HG2 ARG 13 2HG ARG 13 0.345 -19.072 -3.464 115 HG3 ARG 13 1HG ARG 13 1.246 -17.944 -4.470 116 HD2 ARG 13 2HD ARG 13 -1.760 -18.314 -4.500 117 HD3 ARG 13 1HD ARG 13 -0.914 -17.032 -3.651 118 HE ARG 13 HE ARG 13 -0.093 -16.803 -6.230 119 HH11 ARG 13 1HH1 ARG 13 -3.303 -16.855 -4.664 120 HH12 ARG 13 2HH1 ARG 13 -4.002 -15.693 -5.673 121 HH21 ARG 13 1HH2 ARG 13 -1.116 -15.231 -7.714 122 HH22 ARG 13 2HH2 ARG 13 -2.751 -14.791 -7.501 123 H LYS 14 H LYS 14 -1.714 -22.907 -5.808 124 HA LYS 14 HA LYS 14 -0.499 -23.534 -8.352 125 HB2 LYS 14 2HB LYS 14 -2.648 -24.968 -6.760 126 HB3 LYS 14 1HB LYS 14 -2.058 -25.544 -8.310 127 HG2 LYS 14 2HG LYS 14 0.212 -25.692 -7.291 128 HG3 LYS 14 1HG LYS 14 -0.529 -25.322 -5.726 129 HD2 LYS 14 2HD LYS 14 -1.944 -27.282 -5.898 130 HD3 LYS 14 1HD LYS 14 -1.321 -27.626 -7.509 131 HE2 LYS 14 2HE LYS 14 0.941 -27.907 -6.514 132 HE3 LYS 14 1HE LYS 14 0.225 -27.700 -4.918 133 HZ1 LYS 14 3HZ LYS 14 -0.494 -29.809 -6.860 134 HZ2 LYS 14 1HZ LYS 14 -1.127 -29.682 -5.318 135 HZ3 LYS 14 2HZ LYS 14 0.502 -30.052 -5.539 136 H LEU 15 H LEU 15 -3.497 -22.496 -7.051 137 HA LEU 15 HA LEU 15 -4.510 -21.884 -9.716 138 HB2 LEU 15 2HB LEU 15 -5.956 -23.083 -7.969 139 HB3 LEU 15 1HB LEU 15 -5.871 -21.628 -7.006 140 HG LEU 15 HG LEU 15 -8.030 -21.900 -8.172 141 HD11 LEU 15 1HD1 LEU 15 -8.241 -19.676 -9.155 142 HD12 LEU 15 2HD1 LEU 15 -6.485 -19.513 -9.148 143 HD13 LEU 15 3HD1 LEU 15 -7.362 -19.644 -7.627 144 HD21 LEU 15 3HD2 LEU 15 -8.187 -21.638 -10.579 145 HD22 LEU 15 1HD2 LEU 15 -7.248 -23.065 -10.147 146 HD23 LEU 15 2HD2 LEU 15 -6.429 -21.599 -10.704 147 H GLU 16 H GLU 16 -3.332 -20.062 -10.262 148 HA GLU 16 HA GLU 16 -2.997 -18.047 -8.217 149 HB2 GLU 16 2HB GLU 16 -1.803 -18.247 -10.978 150 HB3 GLU 16 1HB GLU 16 -1.610 -16.856 -9.936 151 HG2 GLU 16 2HG GLU 16 -0.502 -18.245 -8.280 152 HG3 GLU 16 1HG GLU 16 -0.700 -19.651 -9.327 153 H GLN 17 H GLN 17 -5.075 -17.389 -8.043 154 HA GLN 17 HA GLN 17 -6.327 -16.150 -10.266 155 HB2 GLN 17 2HB GLN 17 -7.900 -15.171 -8.589 156 HB3 GLN 17 1HB GLN 17 -7.738 -16.908 -8.402 157 HG2 GLN 17 2HG GLN 17 -6.240 -16.568 -6.510 158 HG3 GLN 17 1HG GLN 17 -6.365 -14.827 -6.721 159 HE21 GLN 17 1HE2 GLN 17 -7.191 -14.504 -4.737 160 HE22 GLN 17 2HE2 GLN 17 -8.774 -14.944 -4.235 161 H THR 18 H THR 18 -6.012 -14.138 -10.994 162 HA THR 18 HA THR 18 -3.689 -12.800 -10.045 163 HB THR 18 HB THR 18 -4.361 -11.232 -11.956 164 HG1 THR 18 1HG THR 18 -5.797 -12.761 -13.384 165 HG21 THR 18 3HG2 THR 18 -3.855 -14.160 -12.509 166 HG22 THR 18 1HG2 THR 18 -2.621 -12.955 -12.144 167 HG23 THR 18 2HG2 THR 18 -3.554 -12.838 -13.638 168 H VAL 19 H VAL 19 -3.667 -10.501 -9.599 169 HA VAL 19 HA VAL 19 -6.177 -9.567 -8.438 170 HB VAL 19 HB VAL 19 -3.410 -8.799 -7.464 171 HG11 VAL 19 1HG1 VAL 19 -6.136 -8.379 -6.258 172 HG12 VAL 19 2HG1 VAL 19 -5.137 -7.155 -7.032 173 HG13 VAL 19 3HG1 VAL 19 -4.607 -7.900 -5.523 174 HG21 VAL 19 3HG2 VAL 19 -5.297 -10.808 -6.219 175 HG22 VAL 19 1HG2 VAL 19 -3.798 -10.228 -5.497 176 HG23 VAL 19 2HG2 VAL 19 -3.750 -11.175 -6.985 177 H GLY 20 H GLY 20 -6.751 -8.515 -10.280 178 HA2 GLY 20 2HA GLY 20 -5.126 -6.140 -10.888 179 HA3 GLY 20 1HA GLY 20 -5.949 -7.063 -12.144 180 H ASP 21 H ASP 21 -8.331 -7.385 -11.715 181 HA ASP 21 HA ASP 21 -9.436 -4.816 -10.838 182 HB2 ASP 21 2HB ASP 21 -10.602 -6.908 -12.694 183 HB3 ASP 21 1HB ASP 21 -11.514 -5.526 -12.111 184 H ALA 22 H ALA 22 -8.693 -7.285 -9.379 185 HA ALA 22 HA ALA 22 -10.926 -8.637 -8.382 186 HB1 ALA 22 1HB ALA 22 -8.303 -8.180 -6.977 187 HB2 ALA 22 2HB ALA 22 -8.629 -9.469 -8.131 188 HB3 ALA 22 3HB ALA 22 -9.493 -9.424 -6.593 189 H PHE 23 H PHE 23 -9.311 -5.773 -7.189 190 HA PHE 23 HA PHE 23 -10.771 -5.616 -4.783 191 HB2 PHE 23 2HB PHE 23 -9.137 -3.743 -6.360 192 HB3 PHE 23 1HB PHE 23 -9.979 -3.148 -4.916 193 HD1 PHE 23 2HD PHE 23 -9.435 -4.362 -2.724 194 HD2 PHE 23 1HD PHE 23 -7.075 -4.772 -6.244 195 HE1 PHE 23 2HE PHE 23 -7.557 -5.169 -1.360 196 HE2 PHE 23 1HE PHE 23 -5.190 -5.583 -4.878 197 HZ PHE 23 HZ PHE 23 -5.431 -5.779 -2.436 198 H ALA 24 H ALA 24 -11.367 -4.357 -7.983 199 HA ALA 24 HA ALA 24 -13.562 -2.720 -7.277 200 HB1 ALA 24 1HB ALA 24 -14.147 -2.794 -9.659 201 HB2 ALA 24 2HB ALA 24 -12.997 -4.113 -9.900 202 HB3 ALA 24 3HB ALA 24 -12.420 -2.515 -9.436 203 H ARG 25 H ARG 25 -13.291 -6.056 -8.298 204 HA ARG 25 HA ARG 25 -16.098 -6.528 -8.321 205 HB2 ARG 25 2HB ARG 25 -13.801 -8.489 -8.321 206 HB3 ARG 25 1HB ARG 25 -15.482 -8.889 -8.648 207 HG2 ARG 25 2HG ARG 25 -13.764 -7.033 -10.297 208 HG3 ARG 25 1HG ARG 25 -14.183 -8.695 -10.713 209 HD2 ARG 25 2HD ARG 25 -16.501 -8.132 -10.915 210 HD3 ARG 25 1HD ARG 25 -16.233 -6.523 -10.259 211 HE ARG 25 HE ARG 25 -14.700 -6.981 -12.593 212 HH11 ARG 25 1HH1 ARG 25 -18.011 -6.307 -11.535 213 HH12 ARG 25 2HH1 ARG 25 -18.417 -5.361 -12.888 214 HH21 ARG 25 1HH2 ARG 25 -15.270 -5.634 -14.480 215 HH22 ARG 25 2HH2 ARG 25 -16.825 -4.957 -14.575 216 H ILE 26 H ILE 26 -13.631 -6.886 -5.864 217 HA ILE 26 HA ILE 26 -15.489 -8.321 -4.192 218 HB ILE 26 HB ILE 26 -13.747 -8.270 -2.439 219 HG12 ILE 26 2HG1 ILE 26 -12.153 -6.869 -4.551 220 HG13 ILE 26 1HG1 ILE 26 -12.664 -6.174 -3.013 221 HG21 ILE 26 1HG2 ILE 26 -12.178 -9.774 -3.607 222 HG22 ILE 26 2HG2 ILE 26 -12.878 -9.272 -5.147 223 HG23 ILE 26 3HG2 ILE 26 -13.865 -10.138 -3.966 224 HD11 ILE 26 3HD1 ILE 26 -10.317 -6.765 -2.916 225 HD12 ILE 26 1HD1 ILE 26 -10.693 -8.415 -3.416 226 HD13 ILE 26 2HD1 ILE 26 -11.242 -7.828 -1.851 227 H PHE 27 H PHE 27 -14.801 -5.036 -4.706 228 HA PHE 27 HA PHE 27 -16.043 -4.343 -2.171 229 HB2 PHE 27 2HB PHE 27 -14.685 -2.734 -4.279 230 HB3 PHE 27 1HB PHE 27 -15.809 -1.915 -3.196 231 HD1 PHE 27 2HD PHE 27 -12.880 -4.210 -3.131 232 HD2 PHE 27 1HD PHE 27 -14.996 -1.082 -1.201 233 HE1 PHE 27 2HE PHE 27 -11.101 -4.057 -1.457 234 HE2 PHE 27 1HE PHE 27 -13.222 -0.912 0.484 235 HZ PHE 27 HZ PHE 27 -11.257 -2.408 0.351 236 H GLY 28 H GLY 28 -16.820 -4.488 -5.549 237 HA2 GLY 28 2HA GLY 28 -18.759 -4.491 -6.676 238 HA3 GLY 28 1HA GLY 28 -19.513 -4.947 -5.163 239 H GLY 29 H GLY 29 -20.484 -3.452 -3.971 240 HA2 GLY 29 2HA GLY 29 -21.400 -1.075 -5.429 241 HA3 GLY 29 1HA GLY 29 -22.187 -1.779 -4.027 242 H SER 30 H SER 30 -19.037 -1.694 -3.287 243 HA SER 30 HA SER 30 -19.277 0.810 -1.842 244 HB2 SER 30 2HB SER 30 -17.358 -1.498 -1.753 245 HB3 SER 30 1HB SER 30 -17.001 0.015 -0.929 246 HG SER 30 HG SER 30 -18.328 -0.458 0.513 247 H ILE 31 H ILE 31 -17.131 2.112 -1.773 248 HA ILE 31 HA ILE 31 -16.526 2.838 -4.444 249 HB ILE 31 HB ILE 31 -16.692 4.491 -2.579 250 HG12 ILE 31 2HG1 ILE 31 -15.335 5.078 -4.621 251 HG13 ILE 31 1HG1 ILE 31 -14.914 5.988 -3.185 252 HG21 ILE 31 1HG2 ILE 31 -14.898 4.811 -0.939 253 HG22 ILE 31 2HG2 ILE 31 -14.184 3.291 -1.474 254 HG23 ILE 31 3HG2 ILE 31 -15.788 3.300 -0.743 255 HD11 ILE 31 3HD1 ILE 31 -13.373 3.659 -4.303 256 HD12 ILE 31 1HD1 ILE 31 -12.918 4.634 -2.906 257 HD13 ILE 31 2HD1 ILE 31 -12.977 5.362 -4.516 258 H VAL 32 H VAL 32 -14.977 2.002 -5.662 259 HA VAL 32 HA VAL 32 -13.525 -0.196 -4.516 260 HB VAL 32 HB VAL 32 -12.963 -0.872 -6.778 261 HG11 VAL 32 1HG1 VAL 32 -15.251 -1.247 -7.644 262 HG12 VAL 32 2HG1 VAL 32 -15.846 -0.070 -6.473 263 HG13 VAL 32 3HG1 VAL 32 -15.107 -1.569 -5.916 264 HG21 VAL 32 3HG2 VAL 32 -12.626 1.293 -7.843 265 HG22 VAL 32 1HG2 VAL 32 -14.346 1.658 -7.692 266 HG23 VAL 32 2HG2 VAL 32 -13.811 0.354 -8.747 267 HA PRO 33 HA PRO 33 -9.561 1.726 -4.029 268 HB2 PRO 33 2HB PRO 33 -8.617 -0.906 -5.094 269 HB3 PRO 33 1HB PRO 33 -8.049 -0.005 -3.679 270 HG2 PRO 33 2HG PRO 33 -9.628 -2.063 -3.290 271 HG3 PRO 33 1HG PRO 33 -9.949 -0.554 -2.426 272 HD2 PRO 33 2HD PRO 33 -11.354 -1.638 -4.852 273 HD3 PRO 33 1HD PRO 33 -12.017 -0.867 -3.390 274 H GLN 34 H GLN 34 -8.949 3.115 -5.305 275 HA GLN 34 HA GLN 34 -7.483 3.002 -7.552 276 HB2 GLN 34 2HB GLN 34 -9.044 3.855 -9.339 277 HB3 GLN 34 1HB GLN 34 -9.439 2.219 -8.854 278 HG2 GLN 34 2HG GLN 34 -11.277 3.098 -7.459 279 HG3 GLN 34 1HG GLN 34 -10.882 4.728 -7.990 280 HE21 GLN 34 1HE2 GLN 34 -12.968 4.975 -8.864 281 HE22 GLN 34 2HE2 GLN 34 -13.414 4.172 -10.331 282 H GLU 35 H GLU 35 -10.082 4.617 -5.902 283 HA GLU 35 HA GLU 35 -9.055 7.251 -6.353 284 HB2 GLU 35 2HB GLU 35 -11.480 6.663 -6.175 285 HB3 GLU 35 1HB GLU 35 -11.205 6.322 -4.473 286 HG2 GLU 35 2HG GLU 35 -10.728 8.594 -4.014 287 HG3 GLU 35 1HG GLU 35 -10.705 9.000 -5.731 288 H VAL 36 H VAL 36 -8.818 4.782 -3.911 289 HA VAL 36 HA VAL 36 -7.789 6.350 -1.781 290 HB VAL 36 HB VAL 36 -7.120 3.460 -2.448 291 HG11 VAL 36 1HG1 VAL 36 -6.598 3.257 -0.053 292 HG12 VAL 36 2HG1 VAL 36 -6.950 4.970 0.166 293 HG13 VAL 36 3HG1 VAL 36 -5.587 4.472 -0.834 294 HG21 VAL 36 3HG2 VAL 36 -9.530 3.744 -2.234 295 HG22 VAL 36 1HG2 VAL 36 -9.297 4.554 -0.680 296 HG23 VAL 36 2HG2 VAL 36 -8.870 2.852 -0.857 297 H GLU 37 H GLU 37 -6.212 4.348 -4.211 298 HA GLU 37 HA GLU 37 -3.607 5.075 -3.828 299 HB2 GLU 37 2HB GLU 37 -4.942 4.474 -6.471 300 HB3 GLU 37 1HB GLU 37 -3.219 4.413 -6.159 301 HG2 GLU 37 2HG GLU 37 -3.773 2.213 -6.046 302 HG3 GLU 37 1HG GLU 37 -3.878 2.693 -4.353 303 H ALA 38 H ALA 38 -5.975 6.565 -5.925 304 HA ALA 38 HA ALA 38 -4.400 8.568 -7.066 305 HB1 ALA 38 1HB ALA 38 -6.451 9.780 -7.546 306 HB2 ALA 38 2HB ALA 38 -7.324 8.815 -6.358 307 HB3 ALA 38 3HB ALA 38 -6.690 8.052 -7.818 308 H LEU 39 H LEU 39 -6.393 8.830 -4.119 309 HA LEU 39 HA LEU 39 -5.452 11.452 -3.594 310 HB2 LEU 39 2HB LEU 39 -7.654 10.726 -2.808 311 HB3 LEU 39 1HB LEU 39 -6.922 9.499 -1.806 312 HG LEU 39 HG LEU 39 -6.275 12.384 -1.267 313 HD11 LEU 39 1HD1 LEU 39 -8.770 10.962 -0.349 314 HD12 LEU 39 2HD1 LEU 39 -8.704 12.332 -1.461 315 HD13 LEU 39 3HD1 LEU 39 -8.209 12.534 0.220 316 HD21 LEU 39 3HD2 LEU 39 -6.152 11.577 1.035 317 HD22 LEU 39 1HD2 LEU 39 -5.089 10.645 -0.019 318 HD23 LEU 39 2HD2 LEU 39 -6.631 9.967 0.509 319 H LEU 40 H LEU 40 -4.461 8.284 -2.622 320 HA LEU 40 HA LEU 40 -2.710 9.023 -0.549 321 HB2 LEU 40 2HB LEU 40 -3.685 6.753 -1.031 322 HB3 LEU 40 1HB LEU 40 -2.543 6.610 -2.342 323 HG LEU 40 HG LEU 40 -0.687 6.660 -0.727 324 HD11 LEU 40 1HD1 LEU 40 -1.739 8.020 1.019 325 HD12 LEU 40 2HD1 LEU 40 -1.199 6.472 1.672 326 HD13 LEU 40 3HD1 LEU 40 -2.907 6.731 1.312 327 HD21 LEU 40 3HD2 LEU 40 -1.174 4.461 0.294 328 HD22 LEU 40 1HD2 LEU 40 -1.638 4.530 -1.411 329 HD23 LEU 40 2HD2 LEU 40 -2.865 4.667 -0.161 330 H ARG 41 H ARG 41 -2.238 8.579 -4.049 331 HA ARG 41 HA ARG 41 0.534 9.097 -3.799 332 HB2 ARG 41 2HB ARG 41 0.665 9.210 -6.298 333 HB3 ARG 41 1HB ARG 41 -0.083 7.746 -5.715 334 HG2 ARG 41 2HG ARG 41 -1.288 8.377 -7.630 335 HG3 ARG 41 1HG ARG 41 -2.310 8.825 -6.271 336 HD2 ARG 41 2HD ARG 41 -1.552 11.159 -6.501 337 HD3 ARG 41 1HD ARG 41 -0.545 10.677 -7.869 338 HE ARG 41 HE ARG 41 -2.931 9.819 -8.644 339 HH11 ARG 41 1HH1 ARG 41 -1.907 12.981 -7.465 340 HH12 ARG 41 2HH1 ARG 41 -3.182 13.845 -8.203 341 HH21 ARG 41 1HH2 ARG 41 -4.600 10.942 -9.690 342 HH22 ARG 41 2HH2 ARG 41 -4.786 12.623 -9.593 343 H ARG 42 H ARG 42 -2.219 11.176 -4.205 344 HA ARG 42 HA ARG 42 -0.563 13.443 -4.725 345 HB2 ARG 42 2HB ARG 42 -2.939 13.708 -5.256 346 HB3 ARG 42 1HB ARG 42 -3.378 13.397 -3.573 347 HG2 ARG 42 2HG ARG 42 -2.038 15.405 -2.919 348 HG3 ARG 42 1HG ARG 42 -1.808 15.751 -4.620 349 HD2 ARG 42 2HD ARG 42 -4.120 16.199 -4.914 350 HD3 ARG 42 1HD ARG 42 -4.512 15.564 -3.312 351 HE ARG 42 HE ARG 42 -2.702 17.845 -3.513 352 HH11 ARG 42 1HH1 ARG 42 -5.949 16.674 -2.630 353 HH12 ARG 42 2HH1 ARG 42 -6.288 17.997 -1.637 354 HH21 ARG 42 1HH2 ARG 42 -3.192 19.644 -2.121 355 HH22 ARG 42 2HH2 ARG 42 -4.710 19.727 -1.348 356 H GLU 43 H GLU 43 -1.781 11.841 -1.847 357 HA GLU 43 HA GLU 43 -1.007 13.799 0.015 358 HB2 GLU 43 2HB GLU 43 -2.514 11.672 0.282 359 HB3 GLU 43 1HB GLU 43 -0.995 10.857 0.624 360 HG2 GLU 43 2HG GLU 43 -2.146 11.500 2.657 361 HG3 GLU 43 1HG GLU 43 -0.594 12.329 2.499 362 H ALA 44 H ALA 44 0.651 11.132 -1.492 363 HA ALA 44 HA ALA 44 3.094 11.221 -0.112 364 HB1 ALA 44 1HB ALA 44 2.478 9.402 -1.644 365 HB2 ALA 44 2HB ALA 44 4.025 10.112 -2.099 366 HB3 ALA 44 3HB ALA 44 2.567 10.518 -3.005 367 H ALA 45 H ALA 45 2.043 12.827 -3.100 368 HA ALA 45 HA ALA 45 4.409 14.320 -3.511 369 HB1 ALA 45 1HB ALA 45 2.823 13.829 -5.310 370 HB2 ALA 45 2HB ALA 45 3.114 15.559 -5.164 371 HB3 ALA 45 3HB ALA 45 1.624 14.861 -4.535 372 H ASP 46 H ASP 46 1.519 14.903 -1.717 373 HA ASP 46 HA ASP 46 1.945 17.707 -1.306 374 HB2 ASP 46 2HB ASP 46 -0.304 16.601 -1.287 375 HB3 ASP 46 1HB ASP 46 0.144 15.805 0.213 376 H GLY 47 H GLY 47 2.775 14.754 0.315 377 HA2 GLY 47 2HA GLY 47 3.774 16.173 2.658 378 HA3 GLY 47 1HA GLY 47 3.664 14.430 2.460 379 H ILE 48 H ILE 48 4.958 15.994 -0.219 380 HA ILE 48 HA ILE 48 7.492 14.816 -0.063 381 HB ILE 48 HB ILE 48 6.200 16.866 -1.811 382 HG12 ILE 48 2HG1 ILE 48 5.801 14.477 -2.150 383 HG13 ILE 48 1HG1 ILE 48 6.516 15.245 -3.572 384 HG21 ILE 48 1HG2 ILE 48 9.116 16.235 -1.985 385 HG22 ILE 48 2HG2 ILE 48 8.374 17.808 -1.666 386 HG23 ILE 48 3HG2 ILE 48 8.176 17.034 -3.246 387 HD11 ILE 48 3HD1 ILE 48 7.932 13.513 -1.549 388 HD12 ILE 48 1HD1 ILE 48 8.679 14.291 -2.940 389 HD13 ILE 48 2HD1 ILE 48 7.451 13.051 -3.180 390 H GLN 49 H GLN 49 9.417 15.567 0.582 391 HA GLN 49 HA GLN 49 9.524 18.272 1.701 392 HB2 GLN 49 2HB GLN 49 10.819 15.757 2.702 393 HB3 GLN 49 1HB GLN 49 11.384 17.356 3.162 394 HG2 GLN 49 2HG GLN 49 9.214 17.836 4.081 395 HG3 GLN 49 1HG GLN 49 8.652 16.213 3.651 396 HE21 GLN 49 1HE2 GLN 49 8.312 15.664 5.825 397 HE22 GLN 49 2HE2 GLN 49 9.651 15.374 6.894 398 H SER 50 H SER 50 11.360 19.417 1.412 399 HA SER 50 HA SER 50 12.795 18.798 -0.984 400 HB2 SER 50 2HB SER 50 13.043 21.145 0.901 401 HB3 SER 50 1HB SER 50 13.639 21.052 -0.759 402 HG SER 50 HG SER 50 11.049 21.335 0.224 403 H LEU 51 H LEU 51 14.807 18.167 -1.050 404 HA LEU 51 HA LEU 51 16.590 18.187 1.224 405 HB2 LEU 51 2HB LEU 51 15.109 16.017 1.208 406 HB3 LEU 51 1HB LEU 51 16.026 15.578 -0.215 407 HG LEU 51 HG LEU 51 18.121 15.657 1.199 408 HD11 LEU 51 1HD1 LEU 51 17.893 15.633 3.593 409 HD12 LEU 51 2HD1 LEU 51 16.165 15.945 3.449 410 HD13 LEU 51 3HD1 LEU 51 17.329 17.164 2.925 411 HD21 LEU 51 3HD2 LEU 51 16.945 13.556 0.718 412 HD22 LEU 51 1HD2 LEU 51 15.969 13.791 2.163 413 HD23 LEU 51 2HD2 LEU 51 17.707 13.553 2.308 414 H GLN 52 H GLN 52 18.581 16.617 0.013 415 HA GLN 52 HA GLN 52 19.878 18.088 -1.845 416 HB2 GLN 52 2HB GLN 52 19.770 15.100 -1.601 417 HB3 GLN 52 1HB GLN 52 20.927 15.935 -2.623 418 HG2 GLN 52 2HG GLN 52 21.814 17.066 -0.620 419 HG3 GLN 52 1HG GLN 52 20.680 16.149 0.370 420 HE21 GLN 52 1HE2 GLN 52 22.336 15.142 1.519 421 HE22 GLN 52 2HE2 GLN 52 23.329 13.932 0.804 422 H GLY 53 H GLY 53 20.026 18.299 -3.996 423 HA2 GLY 53 2HA GLY 53 17.504 18.259 -5.314 424 HA3 GLY 53 1HA GLY 53 19.002 18.903 -5.945 425 H ASN 54 H ASN 54 19.004 15.681 -4.896 426 HA ASN 54 HA ASN 54 19.238 14.761 -7.634 427 HB2 ASN 54 2HB ASN 54 20.739 13.872 -5.781 428 HB3 ASN 54 1HB ASN 54 19.306 13.104 -5.110 429 HD21 ASN 54 1HD2 ASN 54 21.517 13.152 -7.768 430 HD22 ASN 54 2HD2 ASN 54 21.142 11.610 -8.410 431 H ARG 55 H ARG 55 17.151 14.625 -4.823 432 HA ARG 55 HA ARG 55 14.840 14.302 -6.267 433 HB2 ARG 55 2HB ARG 55 14.140 12.004 -5.484 434 HB3 ARG 55 1HB ARG 55 15.318 12.065 -6.779 435 HG2 ARG 55 2HG ARG 55 17.084 11.663 -5.139 436 HG3 ARG 55 1HG ARG 55 15.857 11.478 -3.881 437 HD2 ARG 55 2HD ARG 55 16.536 9.293 -4.789 438 HD3 ARG 55 1HD ARG 55 14.838 9.642 -5.105 439 HE ARG 55 HE ARG 55 16.415 10.515 -7.267 440 HH11 ARG 55 1HH1 ARG 55 15.197 7.511 -5.840 441 HH12 ARG 55 2HH1 ARG 55 15.197 6.673 -7.327 442 HH21 ARG 55 1HH2 ARG 55 16.352 9.418 -9.248 443 HH22 ARG 55 2HH2 ARG 55 15.810 7.805 -9.343 444 H LEU 56 H LEU 56 12.955 13.954 -4.971 445 HA LEU 56 HA LEU 56 13.200 15.494 -2.501 446 HB2 LEU 56 2HB LEU 56 10.803 14.649 -4.102 447 HB3 LEU 56 1HB LEU 56 10.841 15.810 -2.787 448 HG LEU 56 HG LEU 56 12.312 16.201 -5.386 449 HD11 LEU 56 1HD1 LEU 56 10.542 17.718 -6.019 450 HD12 LEU 56 2HD1 LEU 56 9.680 17.366 -4.524 451 HD13 LEU 56 3HD1 LEU 56 9.889 16.099 -5.739 452 HD21 LEU 56 3HD2 LEU 56 12.427 18.539 -4.633 453 HD22 LEU 56 1HD2 LEU 56 13.242 17.444 -3.514 454 HD23 LEU 56 2HD2 LEU 56 11.645 18.077 -3.121 455 H LEU 57 H LEU 57 12.176 14.919 -0.599 456 HA LEU 57 HA LEU 57 12.170 12.103 0.012 457 HB2 LEU 57 2HB LEU 57 11.855 14.619 1.539 458 HB3 LEU 57 1HB LEU 57 11.329 13.117 2.274 459 HG LEU 57 HG LEU 57 14.125 13.733 1.332 460 HD11 LEU 57 1HD1 LEU 57 12.893 13.686 4.101 461 HD12 LEU 57 2HD1 LEU 57 13.467 15.116 3.246 462 HD13 LEU 57 3HD1 LEU 57 14.611 13.877 3.762 463 HD21 LEU 57 3HD2 LEU 57 14.715 11.706 2.577 464 HD22 LEU 57 1HD2 LEU 57 13.571 11.326 1.295 465 HD23 LEU 57 2HD2 LEU 57 13.019 11.436 2.960 466 H ALA 58 H ALA 58 10.482 10.913 -0.214 467 HA ALA 58 HA ALA 58 7.827 12.104 -0.133 468 HB1 ALA 58 1HB ALA 58 8.764 9.386 -1.085 469 HB2 ALA 58 2HB ALA 58 8.281 10.760 -2.096 470 HB3 ALA 58 3HB ALA 58 7.088 9.950 -1.086 471 HA PRO 59 HA PRO 59 7.117 10.505 3.925 472 HB2 PRO 59 2HB PRO 59 4.512 9.525 2.919 473 HB3 PRO 59 1HB PRO 59 4.861 10.610 4.268 474 HG2 PRO 59 2HG PRO 59 3.845 11.561 2.013 475 HG3 PRO 59 1HG PRO 59 5.094 12.462 2.887 476 HD2 PRO 59 2HD PRO 59 5.347 10.779 0.433 477 HD3 PRO 59 1HD PRO 59 6.108 12.337 0.828 478 H ASN 60 H ASN 60 7.015 8.611 5.091 479 HA ASN 60 HA ASN 60 6.992 6.148 3.510 480 HB2 ASN 60 2HB ASN 60 8.521 5.138 5.142 481 HB3 ASN 60 1HB ASN 60 9.250 6.545 4.389 482 HD21 ASN 60 1HD2 ASN 60 9.943 5.267 6.888 483 HD22 ASN 60 2HD2 ASN 60 9.809 6.448 8.125 484 H GLU 61 H GLU 61 5.883 7.846 6.302 485 HA GLU 61 HA GLU 61 4.370 5.554 7.271 486 HB2 GLU 61 2HB GLU 61 5.586 6.910 8.891 487 HB3 GLU 61 1HB GLU 61 4.761 8.354 8.324 488 HG2 GLU 61 2HG GLU 61 2.621 7.354 9.084 489 HG3 GLU 61 1HG GLU 61 3.542 6.018 9.775 490 H TYR 62 H TYR 62 2.565 5.283 6.024 491 HA TYR 62 HA TYR 62 0.896 7.649 5.527 492 HB2 TYR 62 2HB TYR 62 1.091 5.064 3.998 493 HB3 TYR 62 1HB TYR 62 -0.148 6.281 3.718 494 HD1 TYR 62 2HD TYR 62 3.465 5.606 3.559 495 HD2 TYR 62 1HD TYR 62 0.300 8.157 2.348 496 HE1 TYR 62 2HE TYR 62 4.958 6.679 1.965 497 HE2 TYR 62 1HE TYR 62 1.786 9.250 0.728 498 HH TYR 62 HH TYR 62 4.943 7.970 0.045 499 H ILE 63 H ILE 63 -0.726 7.701 6.857 500 HA ILE 63 HA ILE 63 -1.882 5.120 7.643 501 HB ILE 63 HB ILE 63 -2.273 7.696 9.193 502 HG12 ILE 63 2HG1 ILE 63 0.144 7.091 9.264 503 HG13 ILE 63 1HG1 ILE 63 -0.625 6.920 10.834 504 HG21 ILE 63 1HG2 ILE 63 -3.025 6.161 10.965 505 HG22 ILE 63 2HG2 ILE 63 -2.725 4.792 9.894 506 HG23 ILE 63 3HG2 ILE 63 -3.969 5.968 9.488 507 HD11 ILE 63 3HD1 ILE 63 -0.724 4.492 10.496 508 HD12 ILE 63 1HD1 ILE 63 0.927 5.107 10.400 509 HD13 ILE 63 2HD1 ILE 63 0.058 4.687 8.924 510 H ILE 64 H ILE 64 -3.751 4.734 6.782 511 HA ILE 64 HA ILE 64 -5.246 6.945 5.627 512 HB ILE 64 HB ILE 64 -5.409 3.973 4.952 513 HG12 ILE 64 2HG1 ILE 64 -4.547 4.770 2.653 514 HG13 ILE 64 1HG1 ILE 64 -4.046 6.235 3.481 515 HG21 ILE 64 1HG2 ILE 64 -7.503 5.101 4.628 516 HG22 ILE 64 2HG2 ILE 64 -6.801 4.658 3.071 517 HG23 ILE 64 3HG2 ILE 64 -6.725 6.331 3.634 518 HD11 ILE 64 3HD1 ILE 64 -3.086 3.442 4.084 519 HD12 ILE 64 1HD1 ILE 64 -2.557 4.913 4.896 520 HD13 ILE 64 2HD1 ILE 64 -2.198 4.673 3.184 521 H THR 65 H THR 65 -7.305 7.251 6.271 522 HA THR 65 HA THR 65 -8.316 5.480 8.364 523 HB THR 65 HB THR 65 -8.561 8.492 8.256 524 HG1 THR 65 1HG THR 65 -6.635 6.799 9.206 525 HG21 THR 65 3HG2 THR 65 -9.376 8.244 10.569 526 HG22 THR 65 1HG2 THR 65 -9.239 6.492 10.438 527 HG23 THR 65 2HG2 THR 65 -10.400 7.361 9.443 528 H LEU 66 H LEU 66 -10.053 4.541 7.601 529 HA LEU 66 HA LEU 66 -11.844 5.954 5.734 530 HB2 LEU 66 2HB LEU 66 -10.937 3.156 5.927 531 HB3 LEU 66 1HB LEU 66 -12.644 3.351 5.622 532 HG LEU 66 HG LEU 66 -11.401 2.994 3.552 533 HD11 LEU 66 1HD1 LEU 66 -13.398 4.294 3.405 534 HD12 LEU 66 2HD1 LEU 66 -12.192 4.920 2.276 535 HD13 LEU 66 3HD1 LEU 66 -12.510 5.763 3.791 536 HD21 LEU 66 3HD2 LEU 66 -9.959 5.537 4.256 537 HD22 LEU 66 1HD2 LEU 66 -9.851 4.685 2.714 538 HD23 LEU 66 2HD2 LEU 66 -9.267 3.916 4.188 539 H GLY 67 H GLY 67 -14.176 4.721 5.936 540 HA2 GLY 67 2HA GLY 67 -15.009 5.291 8.641 541 HA3 GLY 67 1HA GLY 67 -16.046 4.961 7.252 542 H VAL 68 H VAL 68 -16.743 3.715 9.457 543 HA VAL 68 HA VAL 68 -15.412 1.254 9.871 544 HB VAL 68 HB VAL 68 -16.812 2.192 11.614 545 HG11 VAL 68 1HG1 VAL 68 -18.594 3.178 10.311 546 HG12 VAL 68 2HG1 VAL 68 -19.250 2.110 11.545 547 HG13 VAL 68 3HG1 VAL 68 -19.179 1.574 9.862 548 HG21 VAL 68 3HG2 VAL 68 -16.399 -0.180 11.725 549 HG22 VAL 68 1HG2 VAL 68 -17.797 -0.505 10.696 550 HG23 VAL 68 2HG2 VAL 68 -18.029 0.157 12.314 551 H HIS 69 H HIS 69 -18.239 2.060 7.944 552 HA HIS 69 HA HIS 69 -18.963 -0.454 6.950 553 HB2 HIS 69 2HB HIS 69 -20.405 1.390 6.513 554 HB3 HIS 69 1HB HIS 69 -19.112 2.337 5.796 555 HD1 HIS 69 1HD HIS 69 -19.102 2.377 3.260 556 HD2 HIS 69 2HD HIS 69 -21.175 -0.895 4.777 557 HE1 HIS 69 1HE HIS 69 -20.063 1.201 1.293 558 H ASP 70 H ASP 70 -16.589 1.839 5.889 559 HA ASP 70 HA ASP 70 -15.866 0.499 3.509 560 HB2 ASP 70 2HB ASP 70 -14.363 2.574 5.076 561 HB3 ASP 70 1HB ASP 70 -14.135 2.176 3.369 562 H PHE 71 H PHE 71 -14.618 0.599 6.804 563 HA PHE 71 HA PHE 71 -12.225 -0.791 6.334 564 HB2 PHE 71 2HB PHE 71 -12.977 0.578 8.388 565 HB3 PHE 71 1HB PHE 71 -13.813 -0.880 8.894 566 HD1 PHE 71 2HD PHE 71 -10.569 0.655 8.272 567 HD2 PHE 71 1HD PHE 71 -12.597 -2.747 9.784 568 HE1 PHE 71 2HE PHE 71 -8.473 -0.111 9.323 569 HE2 PHE 71 1HE PHE 71 -10.512 -3.524 10.852 570 HZ PHE 71 HZ PHE 71 -8.449 -2.205 10.616 571 H GLU 72 H GLU 72 -15.510 -1.835 7.108 572 HA GLU 72 HA GLU 72 -15.052 -4.561 7.466 573 HB2 GLU 72 2HB GLU 72 -17.490 -3.181 6.324 574 HB3 GLU 72 1HB GLU 72 -17.440 -4.831 6.924 575 HG2 GLU 72 2HG GLU 72 -16.889 -3.981 9.164 576 HG3 GLU 72 1HG GLU 72 -16.988 -2.337 8.548 577 H LYS 73 H LYS 73 -15.528 -2.632 4.586 578 HA LYS 73 HA LYS 73 -15.514 -4.939 2.871 579 HB2 LYS 73 2HB LYS 73 -15.740 -2.007 2.347 580 HB3 LYS 73 1HB LYS 73 -15.229 -3.050 1.037 581 HG2 LYS 73 2HG LYS 73 -17.603 -2.664 0.883 582 HG3 LYS 73 1HG LYS 73 -17.314 -4.351 1.287 583 HD2 LYS 73 2HD LYS 73 -17.834 -3.838 3.647 584 HD3 LYS 73 1HD LYS 73 -18.162 -2.169 3.190 585 HE2 LYS 73 2HE LYS 73 -19.637 -4.579 2.104 586 HE3 LYS 73 1HE LYS 73 -20.227 -3.530 3.383 587 HZ1 LYS 73 3HZ LYS 73 -21.148 -3.038 1.185 588 HZ2 LYS 73 1HZ LYS 73 -19.629 -2.608 0.616 589 HZ3 LYS 73 2HZ LYS 73 -20.372 -1.715 1.850 590 H LEU 74 H LEU 74 -13.134 -2.815 4.135 591 HA LEU 74 HA LEU 74 -11.079 -3.237 2.252 592 HB2 LEU 74 2HB LEU 74 -10.824 -2.785 5.234 593 HB3 LEU 74 1HB LEU 74 -9.484 -2.743 4.112 594 HG LEU 74 HG LEU 74 -11.799 -0.804 4.190 595 HD11 LEU 74 1HD1 LEU 74 -10.136 0.814 4.906 596 HD12 LEU 74 2HD1 LEU 74 -8.894 -0.436 4.880 597 HD13 LEU 74 3HD1 LEU 74 -10.213 -0.536 6.041 598 HD21 LEU 74 3HD2 LEU 74 -9.368 -0.877 2.397 599 HD22 LEU 74 1HD2 LEU 74 -10.508 0.465 2.515 600 HD23 LEU 74 2HD2 LEU 74 -11.051 -1.090 1.909 601 H GLY 75 H GLY 75 -12.007 -5.047 5.122 602 HA2 GLY 75 2HA GLY 75 -11.938 -7.501 4.342 603 HA3 GLY 75 1HA GLY 75 -10.212 -7.181 4.214 604 H ALA 76 H ALA 76 -11.096 -9.191 5.738 605 HA ALA 76 HA ALA 76 -11.388 -8.416 8.482 606 HB1 ALA 76 1HB ALA 76 -12.421 -10.460 7.607 607 HB2 ALA 76 2HB ALA 76 -11.343 -10.798 8.960 608 HB3 ALA 76 3HB ALA 76 -10.818 -11.134 7.311 609 H ASP 77 H ASP 77 -8.732 -8.921 6.393 610 HA ASP 77 HA ASP 77 -6.917 -8.953 8.721 611 HB2 ASP 77 2HB ASP 77 -6.236 -9.856 5.897 612 HB3 ASP 77 1HB ASP 77 -5.168 -9.885 7.280 613 HA PRO 78 HA PRO 78 -6.655 -4.800 6.772 614 HB2 PRO 78 2HB PRO 78 -5.699 -4.093 9.484 615 HB3 PRO 78 1HB PRO 78 -6.973 -3.343 8.513 616 HG2 PRO 78 2HG PRO 78 -7.564 -4.844 10.643 617 HG3 PRO 78 1HG PRO 78 -8.565 -4.886 9.182 618 HD2 PRO 78 2HD PRO 78 -6.491 -6.834 10.112 619 HD3 PRO 78 1HD PRO 78 -8.086 -7.141 9.393 620 H GLU 79 H GLU 79 -4.354 -6.093 9.137 621 HA GLU 79 HA GLU 79 -2.213 -4.447 8.343 622 HB2 GLU 79 2HB GLU 79 -2.131 -7.047 9.858 623 HB3 GLU 79 1HB GLU 79 -0.806 -5.902 9.729 624 HG2 GLU 79 2HG GLU 79 -2.081 -4.217 10.872 625 HG3 GLU 79 1HG GLU 79 -3.487 -5.276 10.937 626 H LEU 80 H LEU 80 -2.862 -7.881 7.572 627 HA LEU 80 HA LEU 80 -0.537 -8.193 6.042 628 HB2 LEU 80 2HB LEU 80 -3.104 -9.732 6.129 629 HB3 LEU 80 1HB LEU 80 -1.910 -10.096 4.910 630 HG LEU 80 HG LEU 80 -1.689 -11.674 6.685 631 HD11 LEU 80 1HD1 LEU 80 0.576 -9.709 6.864 632 HD12 LEU 80 2HD1 LEU 80 0.383 -10.998 5.677 633 HD13 LEU 80 3HD1 LEU 80 0.613 -11.396 7.376 634 HD21 LEU 80 3HD2 LEU 80 -2.740 -10.491 8.504 635 HD22 LEU 80 1HD2 LEU 80 -1.404 -9.336 8.568 636 HD23 LEU 80 2HD2 LEU 80 -1.130 -11.025 8.995 637 H LYS 81 H LYS 81 -3.716 -7.038 5.107 638 HA LYS 81 HA LYS 81 -2.989 -7.002 2.348 639 HB2 LYS 81 2HB LYS 81 -5.359 -5.752 3.743 640 HB3 LYS 81 1HB LYS 81 -5.138 -5.802 1.994 641 HG2 LYS 81 2HG LYS 81 -5.097 -8.253 2.071 642 HG3 LYS 81 1HG LYS 81 -5.339 -8.191 3.812 643 HD2 LYS 81 2HD LYS 81 -7.430 -8.670 2.805 644 HD3 LYS 81 1HD LYS 81 -7.490 -7.001 3.382 645 HE2 LYS 81 2HE LYS 81 -7.147 -6.178 1.127 646 HE3 LYS 81 1HE LYS 81 -6.925 -7.822 0.529 647 HZ1 LYS 81 3HZ LYS 81 -9.192 -7.049 0.071 648 HZ2 LYS 81 1HZ LYS 81 -9.433 -6.728 1.701 649 HZ3 LYS 81 2HZ LYS 81 -9.221 -8.305 1.161 650 H SER 82 H SER 82 -2.755 -4.800 4.999 651 HA SER 82 HA SER 82 -2.266 -2.448 3.531 652 HB2 SER 82 2HB SER 82 -1.263 -3.248 6.274 653 HB3 SER 82 1HB SER 82 -1.177 -1.620 5.604 654 HG SER 82 HG SER 82 -3.518 -3.130 6.137 655 H THR 83 H THR 83 -0.123 -5.056 4.684 656 HA THR 83 HA THR 83 2.320 -3.960 3.934 657 HB THR 83 HB THR 83 1.553 -6.887 3.764 658 HG1 THR 83 1HG THR 83 2.049 -5.187 5.976 659 HG21 THR 83 3HG2 THR 83 3.821 -6.306 2.974 660 HG22 THR 83 1HG2 THR 83 3.879 -7.249 4.463 661 HG23 THR 83 2HG2 THR 83 4.144 -5.506 4.513 662 H GLY 84 H GLY 84 -0.087 -5.763 2.094 663 HA2 GLY 84 2HA GLY 84 1.439 -6.035 -0.298 664 HA3 GLY 84 1HA GLY 84 -0.301 -6.240 -0.147 665 H PHE 85 H PHE 85 -1.074 -3.768 0.727 666 HA PHE 85 HA PHE 85 -1.151 -2.322 -1.721 667 HB2 PHE 85 2HB PHE 85 -2.960 -2.454 0.087 668 HB3 PHE 85 1HB PHE 85 -2.002 -1.307 1.004 669 HD1 PHE 85 1HD PHE 85 -3.519 -1.702 -2.385 670 HD2 PHE 85 2HD PHE 85 -2.558 0.956 0.806 671 HE1 PHE 85 1HE PHE 85 -4.731 0.135 -3.532 672 HE2 PHE 85 2HE PHE 85 -3.775 2.773 -0.362 673 HZ PHE 85 HZ PHE 85 -4.841 2.347 -2.503 674 H ALA 86 H ALA 86 0.773 -2.077 1.184 675 HA ALA 86 HA ALA 86 1.926 0.467 0.734 676 HB1 ALA 86 1HB ALA 86 3.123 -1.916 2.160 677 HB2 ALA 86 2HB ALA 86 2.115 -0.685 2.914 678 HB3 ALA 86 3HB ALA 86 3.697 -0.254 2.274 679 H ARG 87 H ARG 87 2.757 -2.785 -0.286 680 HA ARG 87 HA ARG 87 5.232 -2.220 -1.491 681 HB2 ARG 87 2HB ARG 87 4.411 -4.503 -0.994 682 HB3 ARG 87 1HB ARG 87 3.193 -4.320 -2.248 683 HG2 ARG 87 2HG ARG 87 4.990 -4.115 -3.925 684 HG3 ARG 87 1HG ARG 87 6.179 -4.385 -2.648 685 HD2 ARG 87 2HD ARG 87 5.109 -6.550 -2.160 686 HD3 ARG 87 1HD ARG 87 3.996 -6.282 -3.496 687 HE ARG 87 HE ARG 87 6.748 -6.116 -4.247 688 HH11 ARG 87 1HH1 ARG 87 4.031 -8.334 -3.749 689 HH12 ARG 87 2HH1 ARG 87 4.635 -9.557 -4.754 690 HH21 ARG 87 1HH2 ARG 87 7.636 -7.848 -5.608 691 HH22 ARG 87 2HH2 ARG 87 6.724 -9.279 -5.818 692 H ASP 88 H ASP 88 1.919 -2.089 -2.679 693 HA ASP 88 HA ASP 88 2.562 -1.451 -5.360 694 HB2 ASP 88 2HB ASP 88 0.054 -0.747 -3.811 695 HB3 ASP 88 1HB ASP 88 0.239 -0.569 -5.551 696 H LEU 89 H LEU 89 1.918 0.565 -2.541 697 HA LEU 89 HA LEU 89 2.181 3.022 -3.925 698 HB2 LEU 89 2HB LEU 89 1.084 2.823 -1.722 699 HB3 LEU 89 1HB LEU 89 2.636 2.472 -0.996 700 HG LEU 89 HG LEU 89 3.429 4.725 -1.648 701 HD11 LEU 89 1HD1 LEU 89 0.573 5.154 -2.527 702 HD12 LEU 89 2HD1 LEU 89 1.996 5.142 -3.571 703 HD13 LEU 89 3HD1 LEU 89 1.795 6.413 -2.369 704 HD21 LEU 89 3HD2 LEU 89 0.899 4.674 -0.028 705 HD22 LEU 89 1HD2 LEU 89 2.115 5.949 -0.002 706 HD23 LEU 89 2HD2 LEU 89 2.525 4.329 0.564 707 H ALA 90 H ALA 90 4.497 0.914 -2.378 708 HA ALA 90 HA ALA 90 6.740 2.595 -2.473 709 HB1 ALA 90 1HB ALA 90 8.067 0.538 -2.390 710 HB2 ALA 90 2HB ALA 90 6.620 -0.411 -2.748 711 HB3 ALA 90 3HB ALA 90 6.733 0.497 -1.238 712 H ASP 91 H ASP 91 5.350 0.380 -4.771 713 HA ASP 91 HA ASP 91 7.229 0.659 -6.865 714 HB2 ASP 91 2HB ASP 91 5.512 -1.129 -6.791 715 HB3 ASP 91 1HB ASP 91 4.261 0.074 -7.041 716 H TYR 92 H TYR 92 4.244 2.391 -6.152 717 HA TYR 92 HA TYR 92 4.253 4.225 -8.253 718 HB2 TYR 92 2HB TYR 92 3.153 4.358 -5.488 719 HB3 TYR 92 1HB TYR 92 3.173 5.805 -6.475 720 HD1 TYR 92 2HD TYR 92 2.039 5.694 -8.729 721 HD2 TYR 92 1HD TYR 92 1.432 2.798 -5.693 722 HE1 TYR 92 2HE TYR 92 -0.125 5.055 -9.767 723 HE2 TYR 92 1HE TYR 92 -0.701 2.148 -6.698 724 HH TYR 92 HH TYR 92 -1.678 3.260 -9.802 725 H ILE 93 H ILE 93 5.674 4.673 -5.000 726 HA ILE 93 HA ILE 93 6.574 7.245 -5.661 727 HB ILE 93 HB ILE 93 7.989 7.202 -3.613 728 HG12 ILE 93 2HG1 ILE 93 6.989 4.355 -3.350 729 HG13 ILE 93 1HG1 ILE 93 8.645 4.816 -3.689 730 HG21 ILE 93 1HG2 ILE 93 5.177 6.176 -3.246 731 HG22 ILE 93 2HG2 ILE 93 5.655 7.858 -3.462 732 HG23 ILE 93 3HG2 ILE 93 6.135 6.988 -2.007 733 HD11 ILE 93 3HD1 ILE 93 7.132 5.415 -1.153 734 HD12 ILE 93 1HD1 ILE 93 8.799 5.892 -1.489 735 HD13 ILE 93 2HD1 ILE 93 8.376 4.183 -1.360 736 H GLN 94 H GLN 94 8.035 4.140 -6.064 737 HA GLN 94 HA GLN 94 10.620 5.024 -6.788 738 HB2 GLN 94 2HB GLN 94 9.054 2.552 -7.443 739 HB3 GLN 94 1HB GLN 94 10.674 2.819 -8.074 740 HG2 GLN 94 2HG GLN 94 11.543 2.947 -5.811 741 HG3 GLN 94 1HG GLN 94 9.919 2.774 -5.153 742 HE21 GLN 94 1HE2 GLN 94 12.324 1.186 -4.833 743 HE22 GLN 94 2HE2 GLN 94 11.908 -0.442 -5.260 744 H GLU 95 H GLU 95 7.630 4.546 -8.605 745 HA GLU 95 HA GLU 95 8.636 5.038 -11.142 746 HB2 GLU 95 2HB GLU 95 5.954 5.404 -9.895 747 HB3 GLU 95 1HB GLU 95 6.150 5.686 -11.590 748 HG2 GLU 95 2HG GLU 95 6.984 3.294 -11.724 749 HG3 GLU 95 1HG GLU 95 6.445 3.137 -10.048 750 H GLN 96 H GLN 96 7.652 7.116 -8.551 751 HA GLN 96 HA GLN 96 7.573 9.515 -10.184 752 HB2 GLN 96 2HB GLN 96 7.487 9.349 -7.181 753 HB3 GLN 96 1HB GLN 96 6.933 10.670 -8.197 754 HG2 GLN 96 2HG GLN 96 5.699 7.943 -7.899 755 HG3 GLN 96 1HG GLN 96 5.044 9.482 -7.357 756 HE21 GLN 96 1HE2 GLN 96 3.999 7.411 -9.129 757 HE22 GLN 96 2HE2 GLN 96 3.587 8.178 -10.602 758 H GLY 97 H GLY 97 9.938 7.729 -8.647 759 HA2 GLY 97 2HA GLY 97 12.206 8.066 -8.502 760 HA3 GLY 97 1HA GLY 97 11.970 9.603 -9.316 761 H TRP 98 H TRP 98 10.396 8.738 -6.304 762 HA TRP 98 HA TRP 98 11.852 10.946 -5.063 763 HB2 TRP 98 2HB TRP 98 9.398 9.466 -4.101 764 HB3 TRP 98 1HB TRP 98 10.164 10.813 -3.276 765 HD1 TRP 98 HD TRP 98 10.524 12.714 -5.874 766 HE1 TRP 98 1HE TRP 98 8.443 13.834 -6.862 767 HE3 TRP 98 3HE TRP 98 6.933 9.626 -3.933 768 HZ2 TRP 98 2HZ TRP 98 5.634 13.482 -6.812 769 HZ3 TRP 98 3HZ TRP 98 4.576 10.099 -4.443 770 HH2 TRP 98 HH TRP 98 3.941 11.984 -5.852 771 H GLN 99 H GLN 99 12.523 10.667 -2.816 772 HA GLN 99 HA GLN 99 13.463 7.923 -2.330 773 HB2 GLN 99 2HB GLN 99 15.388 8.888 -1.133 774 HB3 GLN 99 1HB GLN 99 15.356 9.383 -2.819 775 HG2 GLN 99 2HG GLN 99 14.535 11.557 -2.221 776 HG3 GLN 99 1HG GLN 99 14.373 11.076 -0.543 777 HE21 GLN 99 1HE2 GLN 99 16.036 13.212 -1.863 778 HE22 GLN 99 2HE2 GLN 99 17.622 12.907 -1.278 779 H THR 100 H THR 100 13.726 7.444 -0.054 780 HA THR 100 HA THR 100 12.543 9.118 1.884 781 HB THR 100 HB THR 100 10.502 8.064 0.771 782 HG1 THR 100 1HG THR 100 9.837 8.473 2.644 783 HG21 THR 100 3HG2 THR 100 11.637 5.508 1.931 784 HG22 THR 100 1HG2 THR 100 11.475 5.874 0.216 785 HG23 THR 100 2HG2 THR 100 10.034 5.681 1.218 786 H TYR 101 H TYR 101 12.511 7.675 4.003 787 HA TYR 101 HA TYR 101 14.798 5.880 3.805 788 HB2 TYR 101 2HB TYR 101 14.373 8.050 5.861 789 HB3 TYR 101 1HB TYR 101 15.494 6.711 6.115 790 HD1 TYR 101 1HD TYR 101 17.456 6.453 4.659 791 HD2 TYR 101 2HD TYR 101 14.938 9.871 4.382 792 HE1 TYR 101 1HE TYR 101 19.194 7.617 3.379 793 HE2 TYR 101 2HE TYR 101 16.689 11.053 3.095 794 HH TYR 101 HH TYR 101 19.328 9.397 1.776 795 H GLY 102 H GLY 102 14.350 3.979 4.388 796 HA2 GLY 102 2HA GLY 102 13.684 2.473 6.135 797 HA3 GLY 102 1HA GLY 102 12.349 3.571 6.491 798 H ASP 103 H ASP 103 11.199 1.480 6.219 799 HA ASP 103 HA ASP 103 10.597 0.935 3.410 800 HB2 ASP 103 2HB ASP 103 9.844 -0.488 5.961 801 HB3 ASP 103 1HB ASP 103 9.026 -0.829 4.448 802 H VAL 104 H VAL 104 8.642 1.372 2.541 803 HA VAL 104 HA VAL 104 7.141 3.431 3.825 804 HB VAL 104 HB VAL 104 7.461 3.310 1.317 805 HG11 VAL 104 1HG1 VAL 104 5.520 1.039 1.487 806 HG12 VAL 104 2HG1 VAL 104 7.187 0.980 0.903 807 HG13 VAL 104 3HG1 VAL 104 5.964 1.890 0.014 808 HG21 VAL 104 3HG2 VAL 104 5.203 3.989 0.703 809 HG22 VAL 104 1HG2 VAL 104 5.720 4.725 2.223 810 HG23 VAL 104 2HG2 VAL 104 4.600 3.359 2.236 811 H VAL 105 H VAL 105 5.183 3.262 4.818 812 HA VAL 105 HA VAL 105 4.016 0.625 4.954 813 HB VAL 105 HB VAL 105 5.386 0.701 6.917 814 HG11 VAL 105 1HG1 VAL 105 5.194 2.430 8.651 815 HG12 VAL 105 2HG1 VAL 105 4.081 3.330 7.620 816 HG13 VAL 105 3HG1 VAL 105 5.756 3.103 7.119 817 HG21 VAL 105 3HG2 VAL 105 3.703 0.550 8.710 818 HG22 VAL 105 1HG2 VAL 105 3.229 -0.308 7.239 819 HG23 VAL 105 2HG2 VAL 105 2.515 1.259 7.615 820 H VAL 106 H VAL 106 1.940 0.698 4.522 821 HA VAL 106 HA VAL 106 0.535 3.141 5.168 822 HB VAL 106 HB VAL 106 -1.133 2.568 3.585 823 HG11 VAL 106 1HG1 VAL 106 0.054 2.496 1.429 824 HG12 VAL 106 2HG1 VAL 106 1.548 2.170 2.314 825 HG13 VAL 106 3HG1 VAL 106 0.687 3.687 2.561 826 HG21 VAL 106 3HG2 VAL 106 0.260 -0.063 3.110 827 HG22 VAL 106 1HG2 VAL 106 -1.081 0.554 2.144 828 HG23 VAL 106 2HG2 VAL 106 -1.316 0.187 3.851 829 H ARG 107 H ARG 107 -1.173 2.968 6.510 830 HA ARG 107 HA ARG 107 -1.911 0.291 7.460 831 HB2 ARG 107 2HB ARG 107 -1.425 2.711 9.202 832 HB3 ARG 107 1HB ARG 107 -2.149 1.213 9.744 833 HG2 ARG 107 2HG ARG 107 -0.035 0.046 9.176 834 HG3 ARG 107 1HG ARG 107 0.674 1.617 8.787 835 HD2 ARG 107 2HD ARG 107 1.224 0.931 11.072 836 HD3 ARG 107 1HD ARG 107 0.237 2.396 11.050 837 HE ARG 107 HE ARG 107 -1.187 -0.093 11.294 838 HH11 ARG 107 1HH1 ARG 107 0.257 2.588 13.065 839 HH12 ARG 107 2HH1 ARG 107 -0.682 2.354 14.467 840 HH21 ARG 107 1HH2 ARG 107 -2.471 -0.430 13.197 841 HH22 ARG 107 2HH2 ARG 107 -2.296 0.589 14.542 842 H PHE 108 H PHE 108 -4.054 0.103 7.968 843 HA PHE 108 HA PHE 108 -5.673 2.436 7.283 844 HB2 PHE 108 2HB PHE 108 -6.321 -0.506 7.041 845 HB3 PHE 108 1HB PHE 108 -7.483 0.784 6.782 846 HD1 PHE 108 1HD PHE 108 -7.311 2.229 4.816 847 HD2 PHE 108 2HD PHE 108 -4.645 -1.028 5.412 848 HE1 PHE 108 1HE PHE 108 -6.649 2.341 2.450 849 HE2 PHE 108 2HE PHE 108 -3.974 -0.922 3.056 850 HZ PHE 108 HZ PHE 108 -4.977 0.766 1.567 851 H GLU 109 H GLU 109 -6.794 3.291 8.820 852 HA GLU 109 HA GLU 109 -7.746 1.595 11.000 853 HB2 GLU 109 2HB GLU 109 -7.488 3.444 12.598 854 HB3 GLU 109 1HB GLU 109 -5.932 3.042 11.902 855 HG2 GLU 109 2HG GLU 109 -5.986 4.993 10.508 856 HG3 GLU 109 1HG GLU 109 -7.650 5.326 10.974 857 H GLN 110 H GLN 110 -9.737 2.784 12.062 858 HA GLN 110 HA GLN 110 -11.159 4.028 9.840 859 HB2 GLN 110 2HB GLN 110 -13.168 2.853 10.376 860 HB3 GLN 110 1HB GLN 110 -11.887 1.671 10.199 861 HG2 GLN 110 2HG GLN 110 -12.937 2.688 12.841 862 HG3 GLN 110 1HG GLN 110 -13.457 1.201 12.064 863 HE21 GLN 110 1HE2 GLN 110 -12.122 -0.556 12.128 864 HE22 GLN 110 2HE2 GLN 110 -10.713 -0.639 13.119 865 H SER 111 H SER 111 -12.776 5.431 10.338 866 HA SER 111 HA SER 111 -13.169 6.223 13.105 867 HB2 SER 111 2HB SER 111 -12.853 8.015 10.706 868 HB3 SER 111 1HB SER 111 -13.456 8.552 12.278 869 HG SER 111 HG SER 111 -11.184 7.116 12.474 870 H SER 112 H SER 112 -14.961 5.299 13.482 871 HA SER 112 HA SER 112 -16.903 4.678 11.559 872 HB2 SER 112 2HB SER 112 -17.092 4.683 14.564 873 HB3 SER 112 1HB SER 112 -18.132 3.786 13.448 874 HG SER 112 HG SER 112 -16.070 2.783 14.474 875 H ASN 113 H ASN 113 -16.332 7.562 13.156 876 HA ASN 113 HA ASN 113 -19.016 8.591 13.135 877 HB2 ASN 113 2HB ASN 113 -17.200 9.510 14.592 878 HB3 ASN 113 1HB ASN 113 -16.387 10.110 13.159 879 HD21 ASN 113 1HD2 ASN 113 -17.198 11.959 12.109 880 HD22 ASN 113 2HD2 ASN 113 -18.433 12.929 12.780 881 H LEU 114 H LEU 114 -16.461 8.148 10.877 882 HA LEU 114 HA LEU 114 -17.713 9.971 8.980 883 HB2 LEU 114 2HB LEU 114 -15.544 10.477 8.124 884 HB3 LEU 114 1HB LEU 114 -15.233 10.096 9.802 885 HG LEU 114 HG LEU 114 -14.397 7.860 9.153 886 HD11 LEU 114 1HD1 LEU 114 -13.755 7.464 6.841 887 HD12 LEU 114 2HD1 LEU 114 -14.530 8.973 6.353 888 HD13 LEU 114 3HD1 LEU 114 -15.505 7.640 6.970 889 HD21 LEU 114 3HD2 LEU 114 -13.028 10.210 7.875 890 HD22 LEU 114 1HD2 LEU 114 -12.268 8.692 8.340 891 HD23 LEU 114 2HD2 LEU 114 -12.926 9.775 9.578 892 H HIS 115 H HIS 115 -18.078 9.106 6.777 893 HA HIS 115 HA HIS 115 -17.905 6.233 6.599 894 HB2 HIS 115 2HB HIS 115 -20.397 7.885 6.326 895 HB3 HIS 115 1HB HIS 115 -20.227 6.293 5.607 896 HD1 HIS 115 1HD HIS 115 -20.717 8.032 8.867 897 HD2 HIS 115 2HD HIS 115 -20.221 4.158 7.473 898 HE1 HIS 115 1HE HIS 115 -21.328 6.510 10.794 899 H THR 116 H THR 116 -18.616 5.544 4.390 900 HA THR 116 HA THR 116 -16.997 6.021 2.409 901 HB THR 116 HB THR 116 -19.945 5.594 2.001 902 HG1 THR 116 1HG THR 116 -17.849 3.920 2.917 903 HG21 THR 116 3HG2 THR 116 -19.160 4.086 0.207 904 HG22 THR 116 1HG2 THR 116 -17.489 4.495 0.596 905 HG23 THR 116 2HG2 THR 116 -18.566 5.728 -0.056 906 H GLY 117 H GLY 117 -16.360 7.807 1.451 907 HA2 GLY 117 2HA GLY 117 -17.036 9.481 -0.286 908 HA3 GLY 117 1HA GLY 117 -18.267 9.987 0.881 909 H GLN 118 H GLN 118 -16.715 9.487 3.149 910 HA GLN 118 HA GLN 118 -14.790 11.661 3.054 911 HB2 GLN 118 2HB GLN 118 -16.294 10.324 5.301 912 HB3 GLN 118 1HB GLN 118 -15.022 11.494 5.574 913 HG2 GLN 118 2HG GLN 118 -16.350 13.183 4.406 914 HG3 GLN 118 1HG GLN 118 -17.626 11.989 4.150 915 HE21 GLN 118 1HE2 GLN 118 -19.080 13.238 5.322 916 HE22 GLN 118 2HE2 GLN 118 -19.020 13.329 7.039 917 H PHE 119 H PHE 119 -12.674 11.135 3.519 918 HA PHE 119 HA PHE 119 -11.958 8.987 5.101 919 HB2 PHE 119 2HB PHE 119 -10.789 7.519 3.552 920 HB3 PHE 119 1HB PHE 119 -12.477 7.634 3.090 921 HD1 PHE 119 1HD PHE 119 -13.071 9.076 1.081 922 HD2 PHE 119 2HD PHE 119 -9.082 7.976 2.070 923 HE1 PHE 119 1HE PHE 119 -12.375 9.519 -1.237 924 HE2 PHE 119 2HE PHE 119 -8.377 8.419 -0.218 925 HZ PHE 119 HZ PHE 119 -10.024 9.191 -1.896 926 H ARG 120 H ARG 120 -9.696 8.884 5.374 927 HA ARG 120 HA ARG 120 -8.404 11.354 4.510 928 HB2 ARG 120 2HB ARG 120 -8.464 10.223 7.305 929 HB3 ARG 120 1HB ARG 120 -7.335 11.446 6.764 930 HG2 ARG 120 2HG ARG 120 -10.327 11.749 6.833 931 HG3 ARG 120 1HG ARG 120 -9.198 12.379 8.036 932 HD2 ARG 120 2HD ARG 120 -8.074 13.614 6.135 933 HD3 ARG 120 1HD ARG 120 -9.464 13.157 5.148 934 HE ARG 120 HE ARG 120 -10.412 14.312 7.472 935 HH11 ARG 120 1HH1 ARG 120 -8.743 15.244 4.481 936 HH12 ARG 120 2HH1 ARG 120 -9.094 16.897 4.621 937 HH21 ARG 120 1HH2 ARG 120 -10.891 16.626 7.660 938 HH22 ARG 120 2HH2 ARG 120 -10.307 17.702 6.461 939 H ALA 121 H ALA 121 -6.127 11.271 4.565 940 HA ALA 121 HA ALA 121 -4.780 8.839 5.192 941 HB1 ALA 121 1HB ALA 121 -4.739 10.015 2.393 942 HB2 ALA 121 2HB ALA 121 -5.391 8.436 2.834 943 HB3 ALA 121 3HB ALA 121 -3.662 8.748 2.978 944 H ARG 122 H ARG 122 -2.687 9.340 5.701 945 HA ARG 122 HA ARG 122 -1.812 12.054 5.171 946 HB2 ARG 122 2HB ARG 122 -1.047 12.306 7.510 947 HB3 ARG 122 1HB ARG 122 -2.793 12.243 7.351 948 HG2 ARG 122 2HG ARG 122 -2.675 9.832 7.966 949 HG3 ARG 122 1HG ARG 122 -0.964 10.070 8.325 950 HD2 ARG 122 2HD ARG 122 -1.489 11.742 9.942 951 HD3 ARG 122 1HD ARG 122 -3.197 11.655 9.516 952 HE ARG 122 HE ARG 122 -1.656 9.869 11.211 953 HH11 ARG 122 1HH1 ARG 122 -4.685 10.062 9.327 954 HH12 ARG 122 2HH1 ARG 122 -5.497 8.876 10.226 955 HH21 ARG 122 1HH2 ARG 122 -2.757 8.289 12.449 956 HH22 ARG 122 2HH2 ARG 122 -4.329 7.761 12.078 957 H GLY 123 H GLY 123 0.321 12.298 5.179 958 HA2 GLY 123 2HA GLY 123 1.900 9.815 5.176 959 HA3 GLY 123 1HA GLY 123 1.949 10.906 3.793 960 H THR 124 H THR 124 3.342 10.106 6.700 961 HA THR 124 HA THR 124 4.601 12.722 7.007 962 HB THR 124 HB THR 124 4.602 10.374 8.886 963 HG1 THR 124 1HG THR 124 2.770 11.078 9.704 964 HG21 THR 124 3HG2 THR 124 5.108 13.314 9.301 965 HG22 THR 124 1HG2 THR 124 6.326 12.034 9.266 966 HG23 THR 124 2HG2 THR 124 5.128 12.077 10.568 967 H VAL 125 H VAL 125 6.774 12.836 6.620 968 HA VAL 125 HA VAL 125 8.277 10.416 5.952 969 HB VAL 125 HB VAL 125 9.314 13.282 6.159 970 HG11 VAL 125 1HG1 VAL 125 11.231 12.468 4.844 971 HG12 VAL 125 2HG1 VAL 125 10.556 10.843 4.888 972 HG13 VAL 125 3HG1 VAL 125 11.071 11.622 6.384 973 HG21 VAL 125 3HG2 VAL 125 9.217 13.441 3.754 974 HG22 VAL 125 1HG2 VAL 125 7.611 13.058 4.358 975 HG23 VAL 125 2HG2 VAL 125 8.610 11.801 3.618 976 H ASN 126 H ASN 126 8.870 9.285 7.690 977 HA ASN 126 HA ASN 126 9.542 10.704 10.156 978 HB2 ASN 126 2HB ASN 126 7.956 8.835 10.363 979 HB3 ASN 126 1HB ASN 126 9.131 7.747 9.627 980 HD21 ASN 126 1HD2 ASN 126 9.364 6.404 11.351 981 HD22 ASN 126 2HD2 ASN 126 10.124 6.859 12.822 982 HA PRO 127 HA PRO 127 13.749 9.782 8.779 983 HB2 PRO 127 2HB PRO 127 14.988 11.759 10.135 984 HB3 PRO 127 1HB PRO 127 14.120 12.061 8.630 985 HG2 PRO 127 2HG PRO 127 13.290 12.621 11.431 986 HG3 PRO 127 1HG PRO 127 12.957 13.536 9.955 987 HD2 PRO 127 2HD PRO 127 11.190 11.780 11.214 988 HD3 PRO 127 1HD PRO 127 11.053 12.356 9.545 989 H ASP 128 H ASP 128 12.270 9.702 11.837 990 HA ASP 128 HA ASP 128 14.660 8.557 13.085 991 HB2 ASP 128 2HB ASP 128 13.480 10.233 14.487 992 HB3 ASP 128 1HB ASP 128 12.018 9.257 14.401 993 H VAL 129 H VAL 129 14.542 7.100 11.591 994 HA VAL 129 HA VAL 129 13.323 4.708 12.627 995 HB VAL 129 HB VAL 129 11.910 5.475 10.691 996 HG11 VAL 129 1HG1 VAL 129 14.423 5.229 9.061 997 HG12 VAL 129 2HG1 VAL 129 13.524 6.708 9.415 998 HG13 VAL 129 3HG1 VAL 129 12.798 5.453 8.412 999 HG21 VAL 129 3HG2 VAL 129 13.523 2.985 10.138 1000 HG22 VAL 129 1HG2 VAL 129 11.983 3.384 9.376 1001 HG23 VAL 129 2HG2 VAL 129 12.056 3.092 11.113 1002 H GLU 130 H GLU 130 14.740 3.026 12.351 1003 HA GLU 130 HA GLU 130 17.439 3.853 12.083 1004 HB2 GLU 130 2HB GLU 130 18.067 1.502 12.523 1005 HB3 GLU 130 1HB GLU 130 17.044 2.198 13.764 1006 HG2 GLU 130 2HG GLU 130 16.006 0.449 11.565 1007 HG3 GLU 130 1HG GLU 130 16.602 -0.175 13.102 1008 H THR 131 H THR 131 18.810 3.554 10.589 1009 HA THR 131 HA THR 131 18.228 1.958 8.286 1010 HB THR 131 HB THR 131 17.194 4.026 7.594 1011 HG1 THR 131 1HG THR 131 19.716 4.258 6.402 1012 HG21 THR 131 3HG2 THR 131 19.748 5.422 8.400 1013 HG22 THR 131 1HG2 THR 131 18.183 5.581 9.192 1014 HG23 THR 131 2HG2 THR 131 18.405 6.190 7.550 1015 H HIS 132 H HIS 132 20.072 1.181 7.418 1016 HA HIS 132 HA HIS 132 22.579 2.203 8.520 1017 HB2 HIS 132 2HB HIS 132 21.744 0.049 9.596 1018 HB3 HIS 132 1HB HIS 132 21.928 -0.717 8.027 1019 HD1 HIS 132 1HD HIS 132 23.796 0.238 11.047 1020 HD2 HIS 132 2HD HIS 132 24.643 -0.933 7.158 1021 HE1 HIS 132 1HE HIS 132 26.232 -0.446 11.037 Start of MODEL 29 1 H1 MET 1 1HT MET 1 -36.788 19.337 -43.903 2 H2 MET 1 2HT MET 1 -36.589 20.643 -42.894 3 H3 MET 1 3HT MET 1 -38.102 20.352 -43.571 4 HA MET 1 HA MET 1 -37.984 19.769 -41.272 5 HB2 MET 1 2HB MET 1 -38.825 17.454 -41.402 6 HB3 MET 1 1HB MET 1 -39.491 18.437 -42.688 7 HG2 MET 1 2HG MET 1 -37.893 17.461 -44.259 8 HG3 MET 1 1HG MET 1 -37.230 16.464 -42.962 9 HE1 MET 1 2HE MET 1 -41.479 16.036 -44.748 10 HE2 MET 1 3HE MET 1 -40.275 17.196 -45.297 11 HE3 MET 1 1HE MET 1 -41.032 17.401 -43.718 12 H GLY 2 H GLY 2 -37.226 17.753 -39.856 13 HA2 GLY 2 2HA GLY 2 -35.319 16.231 -39.572 14 HA3 GLY 2 1HA GLY 2 -34.332 17.459 -40.351 15 H SER 3 H SER 3 -36.649 18.873 -38.385 16 HA SER 3 HA SER 3 -34.685 19.669 -36.482 17 HB2 SER 3 2HB SER 3 -37.654 20.226 -36.594 18 HB3 SER 3 1HB SER 3 -36.479 21.082 -35.598 19 HG SER 3 HG SER 3 -37.212 21.822 -37.884 20 H GLN 4 H GLN 4 -34.159 17.730 -35.534 21 HA GLN 4 HA GLN 4 -36.212 16.538 -33.834 22 HB2 GLN 4 2HB GLN 4 -33.782 15.312 -35.115 23 HB3 GLN 4 1HB GLN 4 -34.688 14.519 -33.832 24 HG2 GLN 4 2HG GLN 4 -35.836 15.372 -36.482 25 HG3 GLN 4 1HG GLN 4 -35.320 13.733 -36.072 26 HE21 GLN 4 1HE2 GLN 4 -37.969 14.780 -36.795 27 HE22 GLN 4 2HE2 GLN 4 -39.014 14.335 -35.503 28 H LYS 5 H LYS 5 -35.365 15.573 -31.875 29 HA LYS 5 HA LYS 5 -33.822 17.561 -30.451 30 HB2 LYS 5 2HB LYS 5 -35.129 15.013 -29.460 31 HB3 LYS 5 1HB LYS 5 -34.353 16.205 -28.448 32 HG2 LYS 5 2HG LYS 5 -36.705 16.444 -28.218 33 HG3 LYS 5 1HG LYS 5 -36.133 17.829 -29.138 34 HD2 LYS 5 2HD LYS 5 -36.982 16.902 -31.177 35 HD3 LYS 5 1HD LYS 5 -37.322 15.360 -30.395 36 HE2 LYS 5 2HE LYS 5 -38.649 17.983 -29.706 37 HE3 LYS 5 1HE LYS 5 -39.356 16.734 -30.726 38 HZ1 LYS 5 3HZ LYS 5 -38.634 16.462 -27.856 39 HZ2 LYS 5 1HZ LYS 5 -39.214 15.205 -28.831 40 HZ3 LYS 5 2HZ LYS 5 -40.188 16.534 -28.502 41 H ARG 6 H ARG 6 -31.882 17.100 -29.421 42 HA ARG 6 HA ARG 6 -30.549 14.657 -30.271 43 HB2 ARG 6 2HB ARG 6 -29.316 16.852 -30.322 44 HB3 ARG 6 1HB ARG 6 -29.499 16.943 -28.578 45 HG2 ARG 6 2HG ARG 6 -28.245 14.797 -28.405 46 HG3 ARG 6 1HG ARG 6 -27.941 14.894 -30.139 47 HD2 ARG 6 2HD ARG 6 -27.093 16.908 -28.063 48 HD3 ARG 6 1HD ARG 6 -26.057 15.744 -28.879 49 HE ARG 6 HE ARG 6 -27.216 17.159 -30.885 50 HH11 ARG 6 1HH1 ARG 6 -25.209 17.975 -28.079 51 HH12 ARG 6 2HH1 ARG 6 -24.539 19.375 -28.787 52 HH21 ARG 6 1HH2 ARG 6 -26.248 19.070 -31.874 53 HH22 ARG 6 2HH2 ARG 6 -25.129 19.995 -30.995 54 H LEU 7 H LEU 7 -31.511 13.090 -29.118 55 HA LEU 7 HA LEU 7 -32.627 13.421 -26.568 56 HB2 LEU 7 2HB LEU 7 -31.912 10.901 -28.050 57 HB3 LEU 7 1HB LEU 7 -32.707 10.892 -26.503 58 HG LEU 7 HG LEU 7 -34.607 12.170 -27.588 59 HD11 LEU 7 1HD1 LEU 7 -34.836 12.021 -30.011 60 HD12 LEU 7 2HD1 LEU 7 -33.207 11.365 -30.126 61 HD13 LEU 7 3HD1 LEU 7 -33.454 13.016 -29.549 62 HD21 LEU 7 3HD2 LEU 7 -35.553 10.175 -28.601 63 HD22 LEU 7 1HD2 LEU 7 -34.737 9.809 -27.084 64 HD23 LEU 7 2HD2 LEU 7 -33.959 9.420 -28.619 65 H VAL 8 H VAL 8 -29.548 12.175 -27.590 66 HA VAL 8 HA VAL 8 -27.676 11.617 -26.536 67 HB VAL 8 HB VAL 8 -28.762 13.213 -24.180 68 HG11 VAL 8 1HG1 VAL 8 -25.946 12.240 -24.695 69 HG12 VAL 8 2HG1 VAL 8 -27.037 11.629 -23.456 70 HG13 VAL 8 3HG1 VAL 8 -26.448 13.289 -23.368 71 HG21 VAL 8 3HG2 VAL 8 -28.455 14.568 -26.183 72 HG22 VAL 8 1HG2 VAL 8 -26.802 13.971 -26.351 73 HG23 VAL 8 2HG2 VAL 8 -27.241 14.978 -24.971 74 H GLN 9 H GLN 9 -27.958 9.508 -26.559 75 HA GLN 9 HA GLN 9 -28.269 8.215 -24.049 76 HB2 GLN 9 2HB GLN 9 -30.634 8.264 -24.836 77 HB3 GLN 9 1HB GLN 9 -30.128 7.486 -26.331 78 HG2 GLN 9 2HG GLN 9 -29.238 5.593 -24.916 79 HG3 GLN 9 1HG GLN 9 -30.065 6.341 -23.554 80 HE21 GLN 9 1HE2 GLN 9 -32.322 6.265 -23.470 81 HE22 GLN 9 2HE2 GLN 9 -33.205 5.204 -24.500 82 H ARG 10 H ARG 10 -26.692 6.795 -24.071 83 HA ARG 10 HA ARG 10 -25.424 6.106 -26.550 84 HB2 ARG 10 2HB ARG 10 -24.252 6.621 -24.382 85 HB3 ARG 10 1HB ARG 10 -24.854 5.085 -23.778 86 HG2 ARG 10 2HG ARG 10 -23.649 3.917 -25.534 87 HG3 ARG 10 1HG ARG 10 -23.067 5.473 -26.147 88 HD2 ARG 10 2HD ARG 10 -22.164 5.871 -23.829 89 HD3 ARG 10 1HD ARG 10 -22.440 4.149 -23.536 90 HE ARG 10 HE ARG 10 -21.039 3.995 -25.707 91 HH11 ARG 10 1HH1 ARG 10 -20.559 6.106 -22.896 92 HH12 ARG 10 2HH1 ARG 10 -18.890 6.301 -23.143 93 HH21 ARG 10 1HH2 ARG 10 -18.703 4.319 -26.063 94 HH22 ARG 10 2HH2 ARG 10 -17.821 5.275 -24.969 95 H VAL 11 H VAL 11 -25.677 4.186 -27.572 96 HA VAL 11 HA VAL 11 -27.808 2.483 -26.718 97 HB VAL 11 HB VAL 11 -25.831 2.012 -28.975 98 HG11 VAL 11 1HG1 VAL 11 -28.565 0.831 -28.474 99 HG12 VAL 11 2HG1 VAL 11 -27.026 -0.005 -28.284 100 HG13 VAL 11 3HG1 VAL 11 -27.552 0.516 -29.884 101 HG21 VAL 11 3HG2 VAL 11 -28.552 3.319 -29.059 102 HG22 VAL 11 1HG2 VAL 11 -27.570 2.914 -30.467 103 HG23 VAL 11 2HG2 VAL 11 -27.002 4.122 -29.311 104 H GLU 12 H GLU 12 -27.401 1.493 -24.958 105 HA GLU 12 HA GLU 12 -24.901 0.516 -24.093 106 HB2 GLU 12 2HB GLU 12 -26.228 -0.483 -22.240 107 HB3 GLU 12 1HB GLU 12 -26.530 1.236 -22.481 108 HG2 GLU 12 2HG GLU 12 -28.618 0.813 -23.521 109 HG3 GLU 12 1HG GLU 12 -28.275 -0.908 -23.642 110 H ARG 13 H ARG 13 -24.260 -1.592 -23.751 111 HA ARG 13 HA ARG 13 -25.834 -3.651 -25.082 112 HB2 ARG 13 2HB ARG 13 -22.811 -3.507 -24.970 113 HB3 ARG 13 1HB ARG 13 -23.702 -4.948 -25.426 114 HG2 ARG 13 2HG ARG 13 -23.568 -2.330 -26.885 115 HG3 ARG 13 1HG ARG 13 -22.973 -3.901 -27.427 116 HD2 ARG 13 2HD ARG 13 -25.839 -3.006 -27.122 117 HD3 ARG 13 1HD ARG 13 -25.001 -3.497 -28.583 118 HE ARG 13 HE ARG 13 -24.864 -5.756 -27.488 119 HH11 ARG 13 1HH1 ARG 13 -27.526 -3.497 -26.804 120 HH12 ARG 13 2HH1 ARG 13 -28.662 -4.727 -26.517 121 HH21 ARG 13 1HH2 ARG 13 -26.437 -7.424 -27.014 122 HH22 ARG 13 2HH2 ARG 13 -28.043 -6.983 -26.601 123 H LYS 14 H LYS 14 -26.906 -3.878 -23.190 124 HA LYS 14 HA LYS 14 -25.362 -5.153 -21.062 125 HB2 LYS 14 2HB LYS 14 -26.606 -3.096 -20.423 126 HB3 LYS 14 1HB LYS 14 -28.092 -3.845 -20.964 127 HG2 LYS 14 2HG LYS 14 -27.846 -5.553 -19.204 128 HG3 LYS 14 1HG LYS 14 -26.374 -4.748 -18.660 129 HD2 LYS 14 2HD LYS 14 -28.030 -3.916 -17.214 130 HD3 LYS 14 1HD LYS 14 -27.829 -2.643 -18.406 131 HE2 LYS 14 2HE LYS 14 -30.073 -4.688 -18.317 132 HE3 LYS 14 1HE LYS 14 -30.189 -3.003 -17.864 133 HZ1 LYS 14 3HZ LYS 14 -29.668 -2.471 -20.286 134 HZ2 LYS 14 1HZ LYS 14 -31.133 -3.271 -19.998 135 HZ3 LYS 14 2HZ LYS 14 -29.821 -4.121 -20.588 136 H LEU 15 H LEU 15 -25.324 -7.101 -22.180 137 HA LEU 15 HA LEU 15 -27.774 -8.387 -22.965 138 HB2 LEU 15 2HB LEU 15 -25.609 -8.810 -24.123 139 HB3 LEU 15 1HB LEU 15 -24.973 -9.504 -22.651 140 HG LEU 15 HG LEU 15 -26.606 -11.343 -22.814 141 HD11 LEU 15 1HD1 LEU 15 -28.387 -10.182 -24.002 142 HD12 LEU 15 2HD1 LEU 15 -27.899 -11.633 -24.876 143 HD13 LEU 15 3HD1 LEU 15 -27.364 -10.047 -25.433 144 HD21 LEU 15 3HD2 LEU 15 -24.379 -11.584 -23.803 145 HD22 LEU 15 1HD2 LEU 15 -24.979 -10.916 -25.318 146 HD23 LEU 15 2HD2 LEU 15 -25.590 -12.463 -24.729 147 H GLU 16 H GLU 16 -25.446 -8.512 -20.382 148 HA GLU 16 HA GLU 16 -27.475 -9.594 -18.622 149 HB2 GLU 16 2HB GLU 16 -24.633 -10.611 -18.812 150 HB3 GLU 16 1HB GLU 16 -25.749 -11.026 -17.524 151 HG2 GLU 16 2HG GLU 16 -27.255 -11.980 -19.310 152 HG3 GLU 16 1HG GLU 16 -25.919 -11.755 -20.426 153 H GLN 17 H GLN 17 -27.012 -9.036 -16.417 154 HA GLN 17 HA GLN 17 -25.779 -6.424 -16.337 155 HB2 GLN 17 2HB GLN 17 -26.689 -6.306 -14.028 156 HB3 GLN 17 1HB GLN 17 -27.917 -6.618 -15.241 157 HG2 GLN 17 2HG GLN 17 -27.940 -8.973 -14.634 158 HG3 GLN 17 1HG GLN 17 -26.678 -8.689 -13.434 159 HE21 GLN 17 1HE2 GLN 17 -27.984 -9.438 -11.789 160 HE22 GLN 17 2HE2 GLN 17 -29.311 -8.531 -11.166 161 H THR 18 H THR 18 -24.128 -5.830 -14.860 162 HA THR 18 HA THR 18 -22.079 -7.699 -14.546 163 HB THR 18 HB THR 18 -22.405 -5.135 -13.045 164 HG1 THR 18 1HG THR 18 -21.600 -5.521 -15.784 165 HG21 THR 18 3HG2 THR 18 -20.004 -6.524 -14.246 166 HG22 THR 18 1HG2 THR 18 -20.423 -6.479 -12.532 167 HG23 THR 18 2HG2 THR 18 -19.958 -4.997 -13.368 168 H VAL 19 H VAL 19 -22.234 -9.269 -13.102 169 HA VAL 19 HA VAL 19 -23.144 -8.717 -10.418 170 HB VAL 19 HB VAL 19 -25.173 -9.412 -11.625 171 HG11 VAL 19 1HG1 VAL 19 -24.256 -10.712 -13.399 172 HG12 VAL 19 2HG1 VAL 19 -25.429 -11.690 -12.515 173 HG13 VAL 19 3HG1 VAL 19 -23.697 -11.942 -12.270 174 HG21 VAL 19 3HG2 VAL 19 -25.885 -11.250 -10.177 175 HG22 VAL 19 1HG2 VAL 19 -25.005 -10.012 -9.280 176 HG23 VAL 19 2HG2 VAL 19 -24.204 -11.525 -9.709 177 H GLY 20 H GLY 20 -22.287 -10.176 -8.882 178 HA2 GLY 20 2HA GLY 20 -20.883 -11.886 -8.176 179 HA3 GLY 20 1HA GLY 20 -20.466 -12.211 -9.862 180 H ASP 21 H ASP 21 -20.513 -9.032 -8.580 181 HA ASP 21 HA ASP 21 -17.604 -8.943 -8.449 182 HB2 ASP 21 2HB ASP 21 -18.333 -8.159 -10.727 183 HB3 ASP 21 1HB ASP 21 -19.285 -6.902 -9.939 184 H ALA 22 H ALA 22 -17.242 -8.308 -6.500 185 HA ALA 22 HA ALA 22 -19.093 -7.468 -4.640 186 HB1 ALA 22 1HB ALA 22 -16.142 -6.904 -4.513 187 HB2 ALA 22 2HB ALA 22 -16.904 -8.439 -4.082 188 HB3 ALA 22 3HB ALA 22 -17.263 -6.986 -3.155 189 H PHE 23 H PHE 23 -16.760 -5.346 -6.196 190 HA PHE 23 HA PHE 23 -17.667 -3.064 -4.845 191 HB2 PHE 23 2HB PHE 23 -16.027 -3.554 -7.224 192 HB3 PHE 23 1HB PHE 23 -16.390 -1.880 -6.767 193 HD1 PHE 23 2HD PHE 23 -14.744 -5.030 -5.684 194 HD2 PHE 23 1HD PHE 23 -15.202 -0.861 -4.975 195 HE1 PHE 23 2HE PHE 23 -12.864 -5.095 -4.105 196 HE2 PHE 23 1HE PHE 23 -13.324 -0.916 -3.391 197 HZ PHE 23 HZ PHE 23 -12.150 -3.038 -2.953 198 H ALA 24 H ALA 24 -18.473 -4.333 -8.082 199 HA ALA 24 HA ALA 24 -20.035 -2.129 -8.861 200 HB1 ALA 24 1HB ALA 24 -20.328 -5.000 -9.739 201 HB2 ALA 24 2HB ALA 24 -19.217 -3.826 -10.447 202 HB3 ALA 24 3HB ALA 24 -20.959 -3.583 -10.574 203 H ARG 25 H ARG 25 -20.895 -5.119 -7.045 204 HA ARG 25 HA ARG 25 -23.589 -4.791 -7.094 205 HB2 ARG 25 2HB ARG 25 -22.446 -6.813 -6.862 206 HB3 ARG 25 1HB ARG 25 -21.496 -6.205 -5.523 207 HG2 ARG 25 2HG ARG 25 -23.001 -7.686 -4.815 208 HG3 ARG 25 1HG ARG 25 -23.447 -6.058 -4.233 209 HD2 ARG 25 2HD ARG 25 -25.156 -5.891 -5.986 210 HD3 ARG 25 1HD ARG 25 -24.739 -7.498 -6.576 211 HE ARG 25 HE ARG 25 -25.442 -8.197 -4.219 212 HH11 ARG 25 1HH1 ARG 25 -26.966 -5.535 -6.056 213 HH12 ARG 25 2HH1 ARG 25 -28.488 -5.782 -5.345 214 HH21 ARG 25 1HH2 ARG 25 -27.558 -8.476 -3.274 215 HH22 ARG 25 2HH2 ARG 25 -28.831 -7.438 -3.729 216 H ILE 26 H ILE 26 -20.998 -3.830 -4.849 217 HA ILE 26 HA ILE 26 -22.849 -2.939 -2.845 218 HB ILE 26 HB ILE 26 -19.848 -2.543 -3.008 219 HG12 ILE 26 2HG1 ILE 26 -21.452 -4.518 -1.357 220 HG13 ILE 26 1HG1 ILE 26 -20.604 -4.920 -2.843 221 HG21 ILE 26 1HG2 ILE 26 -19.980 -2.010 -0.602 222 HG22 ILE 26 2HG2 ILE 26 -21.738 -2.098 -0.683 223 HG23 ILE 26 3HG2 ILE 26 -20.875 -0.851 -1.587 224 HD11 ILE 26 3HD1 ILE 26 -19.307 -5.597 -0.920 225 HD12 ILE 26 1HD1 ILE 26 -19.344 -3.950 -0.283 226 HD13 ILE 26 2HD1 ILE 26 -18.482 -4.304 -1.782 227 H PHE 27 H PHE 27 -20.513 -1.242 -4.968 228 HA PHE 27 HA PHE 27 -21.484 1.253 -3.873 229 HB2 PHE 27 2HB PHE 27 -19.182 0.683 -5.713 230 HB3 PHE 27 1HB PHE 27 -19.602 2.273 -5.090 231 HD1 PHE 27 1HD PHE 27 -19.487 2.689 -2.656 232 HD2 PHE 27 2HD PHE 27 -17.971 -0.863 -4.417 233 HE1 PHE 27 1HE PHE 27 -18.162 2.261 -0.628 234 HE2 PHE 27 2HE PHE 27 -16.637 -1.310 -2.397 235 HZ PHE 27 HZ PHE 27 -16.732 0.254 -0.494 236 H GLY 28 H GLY 28 -21.667 -0.507 -6.919 237 HA2 GLY 28 2HA GLY 28 -22.939 -0.087 -8.755 238 HA3 GLY 28 1HA GLY 28 -23.686 1.246 -7.890 239 H GLY 29 H GLY 29 -22.104 3.171 -7.652 240 HA2 GLY 29 2HA GLY 29 -21.344 3.896 -10.362 241 HA3 GLY 29 1HA GLY 29 -21.461 4.987 -8.990 242 H SER 30 H SER 30 -19.678 4.883 -7.361 243 HA SER 30 HA SER 30 -17.190 4.688 -8.779 244 HB2 SER 30 2HB SER 30 -17.697 6.605 -7.233 245 HB3 SER 30 1HB SER 30 -17.693 5.474 -5.883 246 HG SER 30 HG SER 30 -15.576 5.184 -6.095 247 H ILE 31 H ILE 31 -16.826 2.592 -9.134 248 HA ILE 31 HA ILE 31 -16.800 0.698 -6.879 249 HB ILE 31 HB ILE 31 -16.968 -1.059 -8.597 250 HG12 ILE 31 2HG1 ILE 31 -17.099 1.226 -10.594 251 HG13 ILE 31 1HG1 ILE 31 -15.740 0.122 -10.409 252 HG21 ILE 31 1HG2 ILE 31 -19.040 -0.211 -7.722 253 HG22 ILE 31 2HG2 ILE 31 -19.236 -0.442 -9.472 254 HG23 ILE 31 3HG2 ILE 31 -18.979 1.166 -8.817 255 HD11 ILE 31 3HD1 ILE 31 -17.093 -0.494 -12.321 256 HD12 ILE 31 1HD1 ILE 31 -18.527 -0.603 -11.298 257 HD13 ILE 31 2HD1 ILE 31 -17.202 -1.740 -11.077 258 H VAL 32 H VAL 32 -14.665 2.636 -7.755 259 HA VAL 32 HA VAL 32 -12.675 0.775 -8.759 260 HB VAL 32 HB VAL 32 -11.287 2.765 -9.340 261 HG11 VAL 32 1HG1 VAL 32 -12.684 1.708 -11.008 262 HG12 VAL 32 2HG1 VAL 32 -12.662 3.455 -11.254 263 HG13 VAL 32 3HG1 VAL 32 -14.063 2.688 -10.505 264 HG21 VAL 32 3HG2 VAL 32 -12.354 4.992 -9.389 265 HG22 VAL 32 1HG2 VAL 32 -12.198 4.386 -7.739 266 HG23 VAL 32 2HG2 VAL 32 -13.760 4.330 -8.557 267 HA PRO 33 HA PRO 33 -10.660 0.873 -4.734 268 HB2 PRO 33 2HB PRO 33 -8.640 -0.843 -5.384 269 HB3 PRO 33 1HB PRO 33 -10.266 -1.413 -5.002 270 HG2 PRO 33 2HG PRO 33 -8.965 -1.041 -7.667 271 HG3 PRO 33 1HG PRO 33 -10.035 -2.339 -7.111 272 HD2 PRO 33 2HD PRO 33 -10.855 -0.259 -8.677 273 HD3 PRO 33 1HD PRO 33 -11.936 -1.124 -7.566 274 H GLN 34 H GLN 34 -9.676 1.714 -7.784 275 HA GLN 34 HA GLN 34 -7.033 2.603 -7.573 276 HB2 GLN 34 2HB GLN 34 -9.257 3.658 -9.314 277 HB3 GLN 34 1HB GLN 34 -7.542 3.950 -9.550 278 HG2 GLN 34 2HG GLN 34 -7.171 1.584 -9.940 279 HG3 GLN 34 1HG GLN 34 -8.879 1.257 -9.648 280 HE21 GLN 34 1HE2 GLN 34 -10.381 1.775 -11.240 281 HE22 GLN 34 2HE2 GLN 34 -9.899 2.250 -12.823 282 H GLU 35 H GLU 35 -9.993 3.915 -6.409 283 HA GLU 35 HA GLU 35 -9.563 6.643 -6.193 284 HB2 GLU 35 2HB GLU 35 -11.653 5.464 -5.552 285 HB3 GLU 35 1HB GLU 35 -10.830 4.788 -4.157 286 HG2 GLU 35 2HG GLU 35 -12.146 6.592 -3.374 287 HG3 GLU 35 1HG GLU 35 -10.471 7.140 -3.353 288 H VAL 36 H VAL 36 -8.602 4.010 -4.040 289 HA VAL 36 HA VAL 36 -7.294 5.704 -2.153 290 HB VAL 36 HB VAL 36 -7.073 2.698 -2.504 291 HG11 VAL 36 1HG1 VAL 36 -5.264 3.630 -1.154 292 HG12 VAL 36 2HG1 VAL 36 -6.363 2.650 -0.189 293 HG13 VAL 36 3HG1 VAL 36 -6.448 4.412 -0.100 294 HG21 VAL 36 3HG2 VAL 36 -9.387 3.357 -2.155 295 HG22 VAL 36 1HG2 VAL 36 -8.921 4.305 -0.742 296 HG23 VAL 36 2HG2 VAL 36 -8.758 2.547 -0.720 297 H GLU 37 H GLU 37 -6.263 3.544 -4.742 298 HA GLU 37 HA GLU 37 -3.505 3.647 -4.409 299 HB2 GLU 37 2HB GLU 37 -5.051 3.438 -7.000 300 HB3 GLU 37 1HB GLU 37 -3.359 3.022 -6.780 301 HG2 GLU 37 2HG GLU 37 -3.984 1.260 -5.219 302 HG3 GLU 37 1HG GLU 37 -5.687 1.671 -5.433 303 H ALA 38 H ALA 38 -5.515 5.665 -6.534 304 HA ALA 38 HA ALA 38 -3.413 7.306 -7.424 305 HB1 ALA 38 1HB ALA 38 -6.370 7.875 -7.362 306 HB2 ALA 38 2HB ALA 38 -5.507 7.054 -8.661 307 HB3 ALA 38 3HB ALA 38 -5.171 8.753 -8.309 308 H LEU 39 H LEU 39 -5.652 7.552 -4.736 309 HA LEU 39 HA LEU 39 -5.052 10.247 -4.094 310 HB2 LEU 39 2HB LEU 39 -7.110 8.938 -3.392 311 HB3 LEU 39 1HB LEU 39 -6.112 8.102 -2.235 312 HG LEU 39 HG LEU 39 -7.578 9.857 -1.264 313 HD11 LEU 39 1HD1 LEU 39 -5.623 9.200 -0.018 314 HD12 LEU 39 2HD1 LEU 39 -5.943 10.921 0.190 315 HD13 LEU 39 3HD1 LEU 39 -4.645 10.389 -0.881 316 HD21 LEU 39 3HD2 LEU 39 -7.523 11.471 -3.071 317 HD22 LEU 39 1HD2 LEU 39 -5.814 11.784 -2.766 318 HD23 LEU 39 2HD2 LEU 39 -7.018 12.221 -1.557 319 H LEU 40 H LEU 40 -3.756 7.145 -2.976 320 HA LEU 40 HA LEU 40 -2.068 8.288 -1.016 321 HB2 LEU 40 2HB LEU 40 -1.892 5.616 -2.378 322 HB3 LEU 40 1HB LEU 40 -0.865 6.110 -1.048 323 HG LEU 40 HG LEU 40 -3.848 5.716 -0.962 324 HD11 LEU 40 1HD1 LEU 40 -2.591 3.651 -1.009 325 HD12 LEU 40 2HD1 LEU 40 -3.303 3.907 0.585 326 HD13 LEU 40 3HD1 LEU 40 -1.583 4.209 0.325 327 HD21 LEU 40 3HD2 LEU 40 -1.949 6.628 1.206 328 HD22 LEU 40 1HD2 LEU 40 -3.633 6.162 1.453 329 HD23 LEU 40 2HD2 LEU 40 -3.252 7.571 0.476 330 H ARG 41 H ARG 41 -1.416 7.353 -4.369 331 HA ARG 41 HA ARG 41 1.314 8.117 -4.134 332 HB2 ARG 41 2HB ARG 41 1.438 8.046 -6.611 333 HB3 ARG 41 1HB ARG 41 0.720 6.603 -5.933 334 HG2 ARG 41 2HG ARG 41 -1.436 7.221 -6.641 335 HG3 ARG 41 1HG ARG 41 -0.923 8.858 -7.048 336 HD2 ARG 41 2HD ARG 41 0.022 6.328 -8.405 337 HD3 ARG 41 1HD ARG 41 -1.179 7.451 -9.051 338 HE ARG 41 HE ARG 41 0.996 8.993 -8.519 339 HH11 ARG 41 1HH1 ARG 41 0.410 6.196 -10.610 340 HH12 ARG 41 2HH1 ARG 41 1.611 6.584 -11.742 341 HH21 ARG 41 1HH2 ARG 41 2.636 9.556 -10.051 342 HH22 ARG 41 2HH2 ARG 41 2.940 8.576 -11.422 343 H ARG 42 H ARG 42 -1.570 9.868 -4.866 344 HA ARG 42 HA ARG 42 -0.354 12.295 -5.692 345 HB2 ARG 42 2HB ARG 42 -2.728 11.736 -6.080 346 HB3 ARG 42 1HB ARG 42 -3.015 11.772 -4.353 347 HG2 ARG 42 2HG ARG 42 -2.528 14.168 -4.321 348 HG3 ARG 42 1HG ARG 42 -2.240 14.121 -6.065 349 HD2 ARG 42 2HD ARG 42 -4.515 13.357 -6.443 350 HD3 ARG 42 1HD ARG 42 -4.817 13.342 -4.711 351 HE ARG 42 HE ARG 42 -3.968 15.888 -5.578 352 HH11 ARG 42 1HH1 ARG 42 -6.793 13.741 -5.679 353 HH12 ARG 42 2HH1 ARG 42 -7.937 14.999 -5.701 354 HH21 ARG 42 1HH2 ARG 42 -5.594 17.660 -5.616 355 HH22 ARG 42 2HH2 ARG 42 -7.247 17.233 -5.656 356 H GLU 43 H GLU 43 -1.329 10.946 -2.601 357 HA GLU 43 HA GLU 43 -0.801 13.172 -0.957 358 HB2 GLU 43 2HB GLU 43 -2.118 11.046 -0.408 359 HB3 GLU 43 1HB GLU 43 -0.573 10.256 -0.180 360 HG2 GLU 43 2HG GLU 43 -1.564 10.926 1.930 361 HG3 GLU 43 1HG GLU 43 -0.041 11.763 1.638 362 H ALA 44 H ALA 44 1.152 10.467 -2.071 363 HA ALA 44 HA ALA 44 3.522 11.036 -0.685 364 HB1 ALA 44 1HB ALA 44 3.172 9.728 -3.387 365 HB2 ALA 44 2HB ALA 44 3.110 8.905 -1.829 366 HB3 ALA 44 3HB ALA 44 4.618 9.637 -2.377 367 H ALA 45 H ALA 45 2.343 12.056 -3.849 368 HA ALA 45 HA ALA 45 4.658 13.498 -4.614 369 HB1 ALA 45 1HB ALA 45 1.832 13.816 -5.616 370 HB2 ALA 45 2HB ALA 45 2.991 12.628 -6.206 371 HB3 ALA 45 3HB ALA 45 3.305 14.349 -6.431 372 H ASP 46 H ASP 46 1.777 14.344 -2.864 373 HA ASP 46 HA ASP 46 2.215 17.159 -2.978 374 HB2 ASP 46 2HB ASP 46 -0.021 16.218 -2.621 375 HB3 ASP 46 1HB ASP 46 0.503 15.568 -1.072 376 H GLY 47 H GLY 47 3.125 14.613 -0.799 377 HA2 GLY 47 2HA GLY 47 4.066 16.414 1.269 378 HA3 GLY 47 1HA GLY 47 4.173 14.666 1.272 379 H ILE 48 H ILE 48 5.282 16.107 -1.568 380 HA ILE 48 HA ILE 48 7.917 15.205 -1.234 381 HB ILE 48 HB ILE 48 6.490 16.818 -3.307 382 HG12 ILE 48 2HG1 ILE 48 6.138 14.443 -3.324 383 HG13 ILE 48 1HG1 ILE 48 7.054 14.913 -4.752 384 HG21 ILE 48 1HG2 ILE 48 9.438 16.282 -3.392 385 HG22 ILE 48 2HG2 ILE 48 8.655 17.852 -3.223 386 HG23 ILE 48 3HG2 ILE 48 8.458 16.928 -4.719 387 HD11 ILE 48 3HD1 ILE 48 9.120 14.148 -3.596 388 HD12 ILE 48 1HD1 ILE 48 7.938 12.875 -3.878 389 HD13 ILE 48 2HD1 ILE 48 8.111 13.564 -2.274 390 H GLN 49 H GLN 49 9.634 16.108 -0.504 391 HA GLN 49 HA GLN 49 9.605 18.975 0.068 392 HB2 GLN 49 2HB GLN 49 10.947 16.725 1.540 393 HB3 GLN 49 1HB GLN 49 11.332 18.420 1.808 394 HG2 GLN 49 2HG GLN 49 9.122 18.868 2.465 395 HG3 GLN 49 1HG GLN 49 8.615 17.210 2.128 396 HE21 GLN 49 1HE2 GLN 49 8.000 16.790 4.183 397 HE22 GLN 49 2HE2 GLN 49 9.073 16.646 5.528 398 H SER 50 H SER 50 11.425 20.088 -0.316 399 HA SER 50 HA SER 50 12.885 19.130 -2.579 400 HB2 SER 50 2HB SER 50 13.020 21.760 -1.097 401 HB3 SER 50 1HB SER 50 13.875 21.408 -2.598 402 HG SER 50 HG SER 50 12.001 21.220 -3.659 403 H LEU 51 H LEU 51 14.301 17.726 -2.226 404 HA LEU 51 HA LEU 51 16.307 17.965 -0.093 405 HB2 LEU 51 2HB LEU 51 14.781 15.904 -0.517 406 HB3 LEU 51 1HB LEU 51 15.734 15.656 -1.956 407 HG LEU 51 HG LEU 51 17.756 15.401 -0.472 408 HD11 LEU 51 1HD1 LEU 51 17.362 14.932 1.889 409 HD12 LEU 51 2HD1 LEU 51 15.669 15.390 1.695 410 HD13 LEU 51 3HD1 LEU 51 16.940 16.589 1.467 411 HD21 LEU 51 3HD2 LEU 51 15.458 13.502 -0.032 412 HD22 LEU 51 1HD2 LEU 51 17.162 13.141 0.240 413 HD23 LEU 51 2HD2 LEU 51 16.582 13.478 -1.392 414 H GLN 52 H GLN 52 18.428 16.642 -1.398 415 HA GLN 52 HA GLN 52 19.531 18.348 -3.290 416 HB2 GLN 52 2HB GLN 52 19.881 15.335 -3.080 417 HB3 GLN 52 1HB GLN 52 20.913 16.383 -4.040 418 HG2 GLN 52 2HG GLN 52 21.604 17.548 -2.005 419 HG3 GLN 52 1HG GLN 52 20.572 16.482 -1.054 420 HE21 GLN 52 1HE2 GLN 52 22.305 15.726 0.135 421 HE22 GLN 52 2HE2 GLN 52 23.510 14.679 -0.486 422 H GLY 53 H GLY 53 19.420 18.495 -5.569 423 HA2 GLY 53 2HA GLY 53 16.818 17.928 -6.591 424 HA3 GLY 53 1HA GLY 53 18.125 18.734 -7.439 425 H ASN 54 H ASN 54 18.684 15.659 -6.144 426 HA ASN 54 HA ASN 54 18.630 14.545 -8.829 427 HB2 ASN 54 2HB ASN 54 20.010 13.470 -6.356 428 HB3 ASN 54 1HB ASN 54 20.110 12.761 -7.965 429 HD21 ASN 54 1HD2 ASN 54 21.339 13.831 -9.547 430 HD22 ASN 54 2HD2 ASN 54 22.469 15.071 -9.123 431 H ARG 55 H ARG 55 17.251 14.467 -5.662 432 HA ARG 55 HA ARG 55 15.192 12.696 -6.396 433 HB2 ARG 55 2HB ARG 55 15.642 11.041 -4.559 434 HB3 ARG 55 1HB ARG 55 16.729 10.951 -5.934 435 HG2 ARG 55 2HG ARG 55 18.349 12.323 -4.605 436 HG3 ARG 55 1HG ARG 55 17.270 12.092 -3.219 437 HD2 ARG 55 2HD ARG 55 17.482 9.683 -3.425 438 HD3 ARG 55 1HD ARG 55 18.482 9.882 -4.859 439 HE ARG 55 HE ARG 55 19.525 11.121 -2.479 440 HH11 ARG 55 1HH1 ARG 55 19.443 8.221 -4.500 441 HH12 ARG 55 2HH1 ARG 55 20.845 7.512 -3.842 442 HH21 ARG 55 1HH2 ARG 55 21.511 10.145 -1.550 443 HH22 ARG 55 2HH2 ARG 55 22.032 8.638 -2.142 444 H LEU 56 H LEU 56 13.468 13.022 -5.184 445 HA LEU 56 HA LEU 56 13.604 15.214 -3.215 446 HB2 LEU 56 2HB LEU 56 11.272 14.114 -4.771 447 HB3 LEU 56 1HB LEU 56 11.250 15.489 -3.680 448 HG LEU 56 HG LEU 56 12.853 15.363 -6.238 449 HD11 LEU 56 1HD1 LEU 56 10.470 15.398 -6.671 450 HD12 LEU 56 2HD1 LEU 56 11.243 16.917 -7.133 451 HD13 LEU 56 3HD1 LEU 56 10.298 16.826 -5.647 452 HD21 LEU 56 3HD2 LEU 56 13.870 16.825 -4.575 453 HD22 LEU 56 1HD2 LEU 56 12.327 17.645 -4.329 454 HD23 LEU 56 2HD2 LEU 56 13.156 17.772 -5.877 455 H LEU 57 H LEU 57 12.394 15.139 -1.334 456 HA LEU 57 HA LEU 57 12.451 12.464 -0.189 457 HB2 LEU 57 2HB LEU 57 13.541 14.624 0.801 458 HB3 LEU 57 1HB LEU 57 11.914 15.053 1.259 459 HG LEU 57 HG LEU 57 13.239 14.128 3.116 460 HD11 LEU 57 1HD1 LEU 57 10.841 13.918 3.245 461 HD12 LEU 57 2HD1 LEU 57 11.629 12.510 3.961 462 HD13 LEU 57 3HD1 LEU 57 10.907 12.396 2.356 463 HD21 LEU 57 3HD2 LEU 57 14.643 12.602 1.885 464 HD22 LEU 57 1HD2 LEU 57 13.252 11.595 1.486 465 HD23 LEU 57 2HD2 LEU 57 13.783 11.747 3.163 466 H ALA 58 H ALA 58 10.628 11.380 0.167 467 HA ALA 58 HA ALA 58 8.046 12.771 -0.078 468 HB1 ALA 58 1HB ALA 58 7.179 10.646 -0.994 469 HB2 ALA 58 2HB ALA 58 8.788 9.936 -0.852 470 HB3 ALA 58 3HB ALA 58 8.513 11.269 -1.969 471 HA PRO 59 HA PRO 59 7.000 11.102 3.981 472 HB2 PRO 59 2HB PRO 59 4.337 10.317 2.990 473 HB3 PRO 59 1HB PRO 59 4.759 11.501 4.226 474 HG2 PRO 59 2HG PRO 59 3.816 12.268 1.846 475 HG3 PRO 59 1HG PRO 59 5.065 13.198 2.695 476 HD2 PRO 59 2HD PRO 59 5.371 11.269 0.421 477 HD3 PRO 59 1HD PRO 59 6.127 12.860 0.660 478 H ASN 60 H ASN 60 6.567 9.158 5.115 479 HA ASN 60 HA ASN 60 6.703 6.747 3.439 480 HB2 ASN 60 2HB ASN 60 8.254 5.735 5.047 481 HB3 ASN 60 1HB ASN 60 8.899 7.218 4.363 482 HD21 ASN 60 1HD2 ASN 60 9.341 5.714 6.888 483 HD22 ASN 60 2HD2 ASN 60 9.276 6.939 8.114 484 H GLU 61 H GLU 61 5.349 8.282 6.236 485 HA GLU 61 HA GLU 61 4.123 5.739 6.982 486 HB2 GLU 61 2HB GLU 61 5.517 6.862 8.708 487 HB3 GLU 61 1HB GLU 61 4.446 8.248 8.636 488 HG2 GLU 61 2HG GLU 61 2.622 6.958 9.500 489 HG3 GLU 61 1HG GLU 61 3.580 5.476 9.421 490 H TYR 62 H TYR 62 2.223 5.514 6.180 491 HA TYR 62 HA TYR 62 0.502 7.871 5.818 492 HB2 TYR 62 2HB TYR 62 0.640 5.343 4.163 493 HB3 TYR 62 1HB TYR 62 -0.567 6.603 3.953 494 HD1 TYR 62 2HD TYR 62 3.083 5.951 3.807 495 HD2 TYR 62 1HD TYR 62 -0.119 8.474 2.601 496 HE1 TYR 62 2HE TYR 62 4.601 7.145 2.305 497 HE2 TYR 62 1HE TYR 62 1.401 9.681 1.090 498 HH TYR 62 HH TYR 62 4.650 8.570 0.511 499 H ILE 63 H ILE 63 -1.153 7.844 7.132 500 HA ILE 63 HA ILE 63 -2.185 5.262 8.086 501 HB ILE 63 HB ILE 63 -2.531 8.019 9.322 502 HG12 ILE 63 2HG1 ILE 63 -0.910 5.639 10.273 503 HG13 ILE 63 1HG1 ILE 63 -0.243 7.110 9.578 504 HG21 ILE 63 1HG2 ILE 63 -3.432 5.309 10.326 505 HG22 ILE 63 2HG2 ILE 63 -4.482 6.590 9.718 506 HG23 ILE 63 3HG2 ILE 63 -3.579 6.828 11.211 507 HD11 ILE 63 3HD1 ILE 63 -1.798 6.932 12.146 508 HD12 ILE 63 1HD1 ILE 63 -1.078 8.396 11.469 509 HD13 ILE 63 2HD1 ILE 63 -0.045 7.065 12.005 510 H ILE 64 H ILE 64 -3.985 4.638 7.154 511 HA ILE 64 HA ILE 64 -5.781 6.675 6.091 512 HB ILE 64 HB ILE 64 -5.448 3.790 5.165 513 HG12 ILE 64 2HG1 ILE 64 -4.917 4.886 2.923 514 HG13 ILE 64 1HG1 ILE 64 -4.760 6.401 3.792 515 HG21 ILE 64 1HG2 ILE 64 -7.107 4.297 3.437 516 HG22 ILE 64 2HG2 ILE 64 -7.348 5.892 4.157 517 HG23 ILE 64 3HG2 ILE 64 -7.773 4.444 5.064 518 HD11 ILE 64 3HD1 ILE 64 -2.915 5.449 5.082 519 HD12 ILE 64 1HD1 ILE 64 -2.602 5.410 3.346 520 HD13 ILE 64 2HD1 ILE 64 -3.086 3.936 4.187 521 H THR 65 H THR 65 -7.649 6.809 6.998 522 HA THR 65 HA THR 65 -8.501 4.633 8.780 523 HB THR 65 HB THR 65 -9.393 7.468 9.173 524 HG1 THR 65 1HG THR 65 -6.947 6.371 10.218 525 HG21 THR 65 3HG2 THR 65 -8.820 5.165 11.032 526 HG22 THR 65 1HG2 THR 65 -10.413 5.656 10.458 527 HG23 THR 65 2HG2 THR 65 -9.481 6.730 11.505 528 H LEU 66 H LEU 66 -10.474 3.857 8.347 529 HA LEU 66 HA LEU 66 -12.324 5.396 6.629 530 HB2 LEU 66 2HB LEU 66 -11.605 2.504 6.639 531 HB3 LEU 66 1HB LEU 66 -13.272 2.911 6.317 532 HG LEU 66 HG LEU 66 -12.075 2.527 4.263 533 HD11 LEU 66 1HD1 LEU 66 -13.871 4.081 4.200 534 HD12 LEU 66 2HD1 LEU 66 -12.600 4.557 3.075 535 HD13 LEU 66 3HD1 LEU 66 -12.781 5.406 4.611 536 HD21 LEU 66 3HD2 LEU 66 -9.819 3.103 4.953 537 HD22 LEU 66 1HD2 LEU 66 -10.276 4.802 5.078 538 HD23 LEU 66 2HD2 LEU 66 -10.281 4.000 3.506 539 H GLY 67 H GLY 67 -14.650 4.620 6.963 540 HA2 GLY 67 2HA GLY 67 -15.265 4.560 9.781 541 HA3 GLY 67 1HA GLY 67 -16.424 4.578 8.443 542 H VAL 68 H VAL 68 -16.851 2.844 10.523 543 HA VAL 68 HA VAL 68 -15.678 0.301 10.312 544 HB VAL 68 HB VAL 68 -18.473 1.003 11.175 545 HG11 VAL 68 1HG1 VAL 68 -18.309 -1.376 10.729 546 HG12 VAL 68 2HG1 VAL 68 -18.422 -1.104 12.468 547 HG13 VAL 68 3HG1 VAL 68 -16.865 -1.491 11.732 548 HG21 VAL 68 3HG2 VAL 68 -17.554 0.938 13.459 549 HG22 VAL 68 1HG2 VAL 68 -16.839 2.215 12.470 550 HG23 VAL 68 2HG2 VAL 68 -15.938 0.729 12.774 551 H HIS 69 H HIS 69 -18.830 1.335 9.125 552 HA HIS 69 HA HIS 69 -19.551 -0.891 7.655 553 HB2 HIS 69 2HB HIS 69 -21.130 0.860 8.174 554 HB3 HIS 69 1HB HIS 69 -20.194 2.042 7.277 555 HD1 HIS 69 1HD HIS 69 -20.875 2.400 4.897 556 HD2 HIS 69 2HD HIS 69 -22.451 -1.086 6.492 557 HE1 HIS 69 1HE HIS 69 -22.437 1.479 3.146 558 H ASP 70 H ASP 70 -17.885 1.996 6.576 559 HA ASP 70 HA ASP 70 -17.569 1.455 3.891 560 HB2 ASP 70 2HB ASP 70 -15.731 2.985 5.731 561 HB3 ASP 70 1HB ASP 70 -15.799 3.121 3.974 562 H PHE 71 H PHE 71 -15.338 0.793 6.606 563 HA PHE 71 HA PHE 71 -13.313 -0.247 4.980 564 HB2 PHE 71 2HB PHE 71 -12.919 0.681 7.141 565 HB3 PHE 71 1HB PHE 71 -13.863 -0.580 7.930 566 HD1 PHE 71 1HD PHE 71 -10.828 0.109 5.988 567 HD2 PHE 71 2HD PHE 71 -12.851 -2.599 8.523 568 HE1 PHE 71 1HE PHE 71 -8.734 -1.209 6.222 569 HE2 PHE 71 2HE PHE 71 -10.779 -3.943 8.781 570 HZ PHE 71 HZ PHE 71 -8.720 -3.235 7.624 571 H GLU 72 H GLU 72 -15.988 -1.783 6.739 572 HA GLU 72 HA GLU 72 -15.155 -4.433 6.261 573 HB2 GLU 72 2HB GLU 72 -17.928 -3.350 6.690 574 HB3 GLU 72 1HB GLU 72 -17.457 -5.041 6.753 575 HG2 GLU 72 2HG GLU 72 -15.997 -4.553 8.656 576 HG3 GLU 72 1HG GLU 72 -16.504 -2.865 8.601 577 H LYS 73 H LYS 73 -16.944 -2.140 4.349 578 HA LYS 73 HA LYS 73 -17.687 -4.099 2.394 579 HB2 LYS 73 2HB LYS 73 -18.109 -1.152 2.644 580 HB3 LYS 73 1HB LYS 73 -18.234 -1.867 1.046 581 HG2 LYS 73 2HG LYS 73 -20.423 -1.631 2.196 582 HG3 LYS 73 1HG LYS 73 -20.051 -3.289 1.754 583 HD2 LYS 73 2HD LYS 73 -19.393 -3.750 4.083 584 HD3 LYS 73 1HD LYS 73 -19.734 -2.074 4.503 585 HE2 LYS 73 2HE LYS 73 -22.072 -2.371 3.969 586 HE3 LYS 73 1HE LYS 73 -21.768 -4.015 3.409 587 HZ1 LYS 73 3HZ LYS 73 -21.310 -3.100 6.215 588 HZ2 LYS 73 1HZ LYS 73 -21.173 -4.654 5.622 589 HZ3 LYS 73 2HZ LYS 73 -22.677 -3.927 5.713 590 H LEU 74 H LEU 74 -15.064 -1.918 2.861 591 HA LEU 74 HA LEU 74 -13.964 -2.234 0.215 592 HB2 LEU 74 2HB LEU 74 -12.500 -1.529 2.765 593 HB3 LEU 74 1HB LEU 74 -11.877 -1.351 1.144 594 HG LEU 74 HG LEU 74 -14.044 0.267 2.467 595 HD11 LEU 74 1HD1 LEU 74 -12.488 2.101 2.129 596 HD12 LEU 74 2HD1 LEU 74 -11.327 0.982 1.420 597 HD13 LEU 74 3HD1 LEU 74 -11.786 0.811 3.113 598 HD21 LEU 74 3HD2 LEU 74 -13.045 0.412 -0.389 599 HD22 LEU 74 1HD2 LEU 74 -14.152 1.559 0.371 600 HD23 LEU 74 2HD2 LEU 74 -14.647 -0.116 0.115 601 H GLY 75 H GLY 75 -13.730 -3.807 3.266 602 HA2 GLY 75 2HA GLY 75 -13.409 -6.309 2.916 603 HA3 GLY 75 1HA GLY 75 -11.867 -5.797 2.215 604 H ALA 76 H ALA 76 -13.275 -6.840 4.986 605 HA ALA 76 HA ALA 76 -11.954 -5.098 6.848 606 HB1 ALA 76 1HB ALA 76 -14.123 -6.123 7.379 607 HB2 ALA 76 2HB ALA 76 -12.899 -6.537 8.577 608 HB3 ALA 76 3HB ALA 76 -13.373 -7.714 7.355 609 H ASP 77 H ASP 77 -10.768 -7.326 4.919 610 HA ASP 77 HA ASP 77 -8.881 -8.700 6.627 611 HB2 ASP 77 2HB ASP 77 -9.692 -9.783 4.602 612 HB3 ASP 77 1HB ASP 77 -9.127 -8.440 3.621 613 HA PRO 78 HA PRO 78 -6.613 -4.804 6.463 614 HB2 PRO 78 2HB PRO 78 -5.053 -5.162 8.610 615 HB3 PRO 78 1HB PRO 78 -6.770 -4.769 8.737 616 HG2 PRO 78 2HG PRO 78 -5.407 -7.412 9.033 617 HG3 PRO 78 1HG PRO 78 -6.737 -6.727 9.984 618 HD2 PRO 78 2HD PRO 78 -7.084 -8.568 7.981 619 HD3 PRO 78 1HD PRO 78 -8.318 -7.403 8.479 620 H GLU 79 H GLU 79 -4.953 -7.952 6.565 621 HA GLU 79 HA GLU 79 -2.368 -6.828 6.388 622 HB2 GLU 79 2HB GLU 79 -2.917 -9.164 7.207 623 HB3 GLU 79 1HB GLU 79 -3.047 -9.622 5.513 624 HG2 GLU 79 2HG GLU 79 -0.849 -10.169 6.378 625 HG3 GLU 79 1HG GLU 79 -0.736 -8.910 5.143 626 H LEU 80 H LEU 80 -4.428 -8.236 3.852 627 HA LEU 80 HA LEU 80 -2.456 -7.792 1.870 628 HB2 LEU 80 2HB LEU 80 -5.398 -8.361 1.601 629 HB3 LEU 80 1HB LEU 80 -4.261 -8.338 0.272 630 HG LEU 80 HG LEU 80 -4.253 -10.277 2.585 631 HD11 LEU 80 1HD1 LEU 80 -4.763 -11.952 0.880 632 HD12 LEU 80 2HD1 LEU 80 -4.892 -10.671 -0.328 633 HD13 LEU 80 3HD1 LEU 80 -6.026 -10.733 1.018 634 HD21 LEU 80 3HD2 LEU 80 -1.972 -9.828 1.897 635 HD22 LEU 80 1HD2 LEU 80 -2.402 -10.097 0.205 636 HD23 LEU 80 2HD2 LEU 80 -2.459 -11.432 1.355 637 H LYS 81 H LYS 81 -4.660 -5.744 3.366 638 HA LYS 81 HA LYS 81 -4.793 -3.822 1.197 639 HB2 LYS 81 2HB LYS 81 -5.414 -3.405 4.136 640 HB3 LYS 81 1HB LYS 81 -5.813 -2.303 2.835 641 HG2 LYS 81 2HG LYS 81 -6.970 -5.049 3.245 642 HG3 LYS 81 1HG LYS 81 -7.747 -3.523 3.650 643 HD2 LYS 81 2HD LYS 81 -7.666 -2.910 1.247 644 HD3 LYS 81 1HD LYS 81 -7.004 -4.510 0.899 645 HE2 LYS 81 2HE LYS 81 -8.996 -5.542 1.895 646 HE3 LYS 81 1HE LYS 81 -9.663 -3.940 2.201 647 HZ1 LYS 81 3HZ LYS 81 -9.519 -3.585 -0.267 648 HZ2 LYS 81 1HZ LYS 81 -10.629 -4.773 0.218 649 HZ3 LYS 81 2HZ LYS 81 -9.126 -5.215 -0.402 650 H SER 82 H SER 82 -3.325 -3.977 4.419 651 HA SER 82 HA SER 82 -1.965 -1.532 4.256 652 HB2 SER 82 2HB SER 82 -2.612 -2.713 6.365 653 HB3 SER 82 1HB SER 82 -1.366 -3.910 6.027 654 HG SER 82 HG SER 82 -0.549 -1.254 6.002 655 H THR 83 H THR 83 -0.727 -4.879 3.915 656 HA THR 83 HA THR 83 1.884 -3.995 3.364 657 HB THR 83 HB THR 83 0.561 -6.678 2.913 658 HG1 THR 83 1HG THR 83 0.644 -6.683 5.066 659 HG21 THR 83 3HG2 THR 83 3.501 -5.943 3.131 660 HG22 THR 83 1HG2 THR 83 2.679 -6.454 1.654 661 HG23 THR 83 2HG2 THR 83 2.862 -7.583 2.998 662 H GLY 84 H GLY 84 -0.888 -4.833 1.368 663 HA2 GLY 84 2HA GLY 84 0.402 -5.050 -1.111 664 HA3 GLY 84 1HA GLY 84 -1.286 -4.627 -0.875 665 H PHE 85 H PHE 85 -1.224 -2.281 0.367 666 HA PHE 85 HA PHE 85 -0.465 -0.568 -1.747 667 HB2 PHE 85 2HB PHE 85 -1.718 -0.067 0.915 668 HB3 PHE 85 1HB PHE 85 -1.256 1.264 -0.140 669 HD1 PHE 85 1HD PHE 85 -3.487 -1.655 0.210 670 HD2 PHE 85 2HD PHE 85 -2.515 1.782 -2.079 671 HE1 PHE 85 1HE PHE 85 -5.609 -1.870 -0.995 672 HE2 PHE 85 2HE PHE 85 -4.629 1.583 -3.287 673 HZ PHE 85 HZ PHE 85 -6.191 -0.247 -2.754 674 H ALA 86 H ALA 86 0.935 -1.239 1.448 675 HA ALA 86 HA ALA 86 2.732 0.931 1.422 676 HB1 ALA 86 1HB ALA 86 2.282 -0.440 3.458 677 HB2 ALA 86 2HB ALA 86 3.989 -0.201 3.142 678 HB3 ALA 86 3HB ALA 86 3.233 -1.748 2.746 679 H ARG 87 H ARG 87 3.063 -2.357 0.215 680 HA ARG 87 HA ARG 87 5.727 -2.153 -0.665 681 HB2 ARG 87 2HB ARG 87 4.675 -4.304 -0.413 682 HB3 ARG 87 1HB ARG 87 3.423 -3.883 -1.565 683 HG2 ARG 87 2HG ARG 87 5.130 -3.815 -3.347 684 HG3 ARG 87 1HG ARG 87 6.341 -4.326 -2.170 685 HD2 ARG 87 2HD ARG 87 5.203 -6.406 -1.809 686 HD3 ARG 87 1HD ARG 87 3.836 -5.882 -2.788 687 HE ARG 87 HE ARG 87 6.328 -5.868 -4.186 688 HH11 ARG 87 1HH1 ARG 87 3.574 -7.913 -3.302 689 HH12 ARG 87 2HH1 ARG 87 3.781 -8.982 -4.619 690 HH21 ARG 87 1HH2 ARG 87 6.560 -7.277 -5.999 691 HH22 ARG 87 2HH2 ARG 87 5.513 -8.599 -6.201 692 H ASP 88 H ASP 88 2.639 -1.662 -2.351 693 HA ASP 88 HA ASP 88 3.802 -1.145 -4.875 694 HB2 ASP 88 2HB ASP 88 1.472 -1.952 -4.536 695 HB3 ASP 88 1HB ASP 88 1.048 -0.379 -3.888 696 H LEU 89 H LEU 89 2.795 0.974 -2.236 697 HA LEU 89 HA LEU 89 3.240 3.357 -3.733 698 HB2 LEU 89 2HB LEU 89 1.688 3.239 -1.813 699 HB3 LEU 89 1HB LEU 89 3.055 3.000 -0.744 700 HG LEU 89 HG LEU 89 3.870 5.259 -1.285 701 HD11 LEU 89 1HD1 LEU 89 1.348 5.474 -2.926 702 HD12 LEU 89 2HD1 LEU 89 2.999 5.484 -3.551 703 HD13 LEU 89 3HD1 LEU 89 2.433 6.805 -2.534 704 HD21 LEU 89 3HD2 LEU 89 0.992 5.141 -0.406 705 HD22 LEU 89 1HD2 LEU 89 2.086 6.500 -0.149 706 HD23 LEU 89 2HD2 LEU 89 2.408 4.946 0.621 707 H ALA 90 H ALA 90 5.216 1.409 -1.539 708 HA ALA 90 HA ALA 90 7.407 3.180 -1.387 709 HB1 ALA 90 1HB ALA 90 7.192 1.236 0.109 710 HB2 ALA 90 2HB ALA 90 8.729 1.197 -0.751 711 HB3 ALA 90 3HB ALA 90 7.404 0.151 -1.265 712 H ASP 91 H ASP 91 6.460 0.697 -3.611 713 HA ASP 91 HA ASP 91 8.687 0.774 -5.328 714 HB2 ASP 91 2HB ASP 91 7.154 -1.075 -5.438 715 HB3 ASP 91 1HB ASP 91 5.809 -0.002 -5.788 716 H TYR 92 H TYR 92 5.536 2.409 -5.499 717 HA TYR 92 HA TYR 92 5.929 3.946 -7.751 718 HB2 TYR 92 2HB TYR 92 4.293 4.431 -5.312 719 HB3 TYR 92 1HB TYR 92 4.522 5.751 -6.446 720 HD1 TYR 92 2HD TYR 92 4.230 4.888 -8.989 721 HD2 TYR 92 1HD TYR 92 2.319 3.264 -5.568 722 HE1 TYR 92 2HE TYR 92 2.415 4.037 -10.418 723 HE2 TYR 92 1HE TYR 92 0.500 2.410 -6.978 724 HH TYR 92 HH TYR 92 0.732 2.220 -10.310 725 H ILE 93 H ILE 93 6.762 4.931 -4.429 726 HA ILE 93 HA ILE 93 7.716 7.416 -5.287 727 HB ILE 93 HB ILE 93 8.812 7.692 -3.082 728 HG12 ILE 93 2HG1 ILE 93 7.954 4.826 -2.573 729 HG13 ILE 93 1HG1 ILE 93 9.610 5.364 -2.793 730 HG21 ILE 93 1HG2 ILE 93 6.428 8.168 -3.296 731 HG22 ILE 93 2HG2 ILE 93 6.794 7.519 -1.700 732 HG23 ILE 93 3HG2 ILE 93 6.052 6.489 -2.918 733 HD11 ILE 93 3HD1 ILE 93 7.780 6.160 -0.537 734 HD12 ILE 93 1HD1 ILE 93 9.440 6.714 -0.756 735 HD13 ILE 93 2HD1 ILE 93 9.121 5.011 -0.449 736 H GLN 94 H GLN 94 9.361 4.329 -4.964 737 HA GLN 94 HA GLN 94 11.934 5.384 -5.455 738 HB2 GLN 94 2HB GLN 94 10.840 2.609 -5.783 739 HB3 GLN 94 1HB GLN 94 12.525 3.023 -6.077 740 HG2 GLN 94 2HG GLN 94 12.670 3.827 -3.721 741 HG3 GLN 94 1HG GLN 94 11.006 3.309 -3.476 742 HE21 GLN 94 1HE2 GLN 94 13.416 2.496 -2.116 743 HE22 GLN 94 2HE2 GLN 94 13.529 0.785 -2.291 744 H GLU 95 H GLU 95 9.444 4.027 -7.571 745 HA GLU 95 HA GLU 95 10.829 4.104 -9.919 746 HB2 GLU 95 2HB GLU 95 7.912 4.488 -9.313 747 HB3 GLU 95 1HB GLU 95 8.528 4.424 -10.953 748 HG2 GLU 95 2HG GLU 95 8.850 2.246 -8.914 749 HG3 GLU 95 1HG GLU 95 7.600 2.287 -10.156 750 H GLN 96 H GLN 96 9.002 6.626 -8.280 751 HA GLN 96 HA GLN 96 9.193 8.602 -10.340 752 HB2 GLN 96 2HB GLN 96 8.662 8.968 -7.410 753 HB3 GLN 96 1HB GLN 96 8.333 10.149 -8.661 754 HG2 GLN 96 2HG GLN 96 7.026 7.466 -8.281 755 HG3 GLN 96 1HG GLN 96 6.300 9.051 -8.019 756 HE21 GLN 96 1HE2 GLN 96 5.700 6.746 -9.775 757 HE22 GLN 96 2HE2 GLN 96 5.550 7.422 -11.361 758 H GLY 97 H GLY 97 11.428 7.488 -8.101 759 HA2 GLY 97 2HA GLY 97 13.661 8.140 -7.924 760 HA3 GLY 97 1HA GLY 97 13.280 9.579 -8.867 761 H TRP 98 H TRP 98 11.525 8.527 -6.041 762 HA TRP 98 HA TRP 98 12.588 10.830 -4.581 763 HB2 TRP 98 2HB TRP 98 9.986 9.335 -4.135 764 HB3 TRP 98 1HB TRP 98 10.517 10.777 -3.293 765 HD1 TRP 98 HD TRP 98 11.374 12.342 -6.101 766 HE1 TRP 98 1HE TRP 98 9.444 13.321 -7.522 767 HE3 TRP 98 3HE TRP 98 7.504 9.575 -4.262 768 HZ2 TRP 98 2HZ TRP 98 6.678 12.978 -7.808 769 HZ3 TRP 98 3HZ TRP 98 5.238 9.964 -5.155 770 HH2 TRP 98 HH TRP 98 4.840 11.635 -6.891 771 H GLN 99 H GLN 99 12.509 10.360 -2.147 772 HA GLN 99 HA GLN 99 12.755 7.585 -1.390 773 HB2 GLN 99 2HB GLN 99 14.947 7.836 -0.357 774 HB3 GLN 99 1HB GLN 99 15.052 8.133 -2.086 775 HG2 GLN 99 2HG GLN 99 15.202 10.497 -1.729 776 HG3 GLN 99 1HG GLN 99 14.893 10.298 -0.002 777 HE21 GLN 99 1HE2 GLN 99 16.829 11.246 0.579 778 HE22 GLN 99 2HE2 GLN 99 18.336 10.446 0.345 779 H THR 100 H THR 100 13.408 7.671 1.136 780 HA THR 100 HA THR 100 12.289 10.006 2.382 781 HB THR 100 HB THR 100 10.328 8.586 1.787 782 HG1 THR 100 1HG THR 100 9.756 9.638 3.439 783 HG21 THR 100 3HG2 THR 100 11.450 6.385 1.943 784 HG22 THR 100 1HG2 THR 100 9.973 6.427 2.902 785 HG23 THR 100 2HG2 THR 100 11.541 6.568 3.693 786 H TYR 101 H TYR 101 12.184 9.373 4.898 787 HA TYR 101 HA TYR 101 14.732 8.047 5.522 788 HB2 TYR 101 2HB TYR 101 13.333 10.266 7.050 789 HB3 TYR 101 1HB TYR 101 14.757 9.410 7.615 790 HD1 TYR 101 1HD TYR 101 16.788 9.459 5.883 791 HD2 TYR 101 2HD TYR 101 13.636 12.310 6.040 792 HE1 TYR 101 1HE TYR 101 18.231 11.108 4.773 793 HE2 TYR 101 2HE TYR 101 15.072 13.965 4.923 794 HH TYR 101 HH TYR 101 17.449 14.408 4.594 795 H GLY 102 H GLY 102 14.459 6.190 6.538 796 HA2 GLY 102 2HA GLY 102 13.571 5.027 8.457 797 HA3 GLY 102 1HA GLY 102 12.052 5.892 8.198 798 H ASP 103 H ASP 103 10.860 4.022 8.019 799 HA ASP 103 HA ASP 103 11.314 2.516 5.552 800 HB2 ASP 103 2HB ASP 103 11.785 1.091 7.467 801 HB3 ASP 103 1HB ASP 103 10.239 1.515 8.196 802 H VAL 104 H VAL 104 9.439 1.966 4.402 803 HA VAL 104 HA VAL 104 7.315 3.920 4.694 804 HB VAL 104 HB VAL 104 7.662 1.771 2.579 805 HG11 VAL 104 1HG1 VAL 104 6.092 3.113 1.239 806 HG12 VAL 104 2HG1 VAL 104 5.882 4.212 2.605 807 HG13 VAL 104 3HG1 VAL 104 5.353 2.537 2.734 808 HG21 VAL 104 3HG2 VAL 104 8.398 4.697 2.497 809 HG22 VAL 104 1HG2 VAL 104 8.507 3.569 1.146 810 HG23 VAL 104 2HG2 VAL 104 9.528 3.348 2.570 811 H VAL 105 H VAL 105 5.444 3.588 5.611 812 HA VAL 105 HA VAL 105 4.375 0.922 5.755 813 HB VAL 105 HB VAL 105 5.537 1.116 7.884 814 HG11 VAL 105 1HG1 VAL 105 4.984 2.833 9.556 815 HG12 VAL 105 2HG1 VAL 105 3.967 3.637 8.360 816 HG13 VAL 105 3HG1 VAL 105 5.709 3.515 8.096 817 HG21 VAL 105 3HG2 VAL 105 2.556 1.431 8.254 818 HG22 VAL 105 1HG2 VAL 105 3.666 0.783 9.460 819 HG23 VAL 105 2HG2 VAL 105 3.420 -0.071 7.937 820 H VAL 106 H VAL 106 2.427 0.927 5.086 821 HA VAL 106 HA VAL 106 0.800 3.362 5.273 822 HB VAL 106 HB VAL 106 0.731 1.197 3.127 823 HG11 VAL 106 1HG1 VAL 106 -1.468 2.141 3.529 824 HG12 VAL 106 2HG1 VAL 106 -0.848 2.639 1.956 825 HG13 VAL 106 3HG1 VAL 106 -0.825 3.768 3.311 826 HG21 VAL 106 3HG2 VAL 106 2.704 2.611 2.893 827 HG22 VAL 106 1HG2 VAL 106 1.694 4.054 2.925 828 HG23 VAL 106 2HG2 VAL 106 1.557 2.919 1.587 829 H ARG 107 H ARG 107 -0.725 3.031 6.737 830 HA ARG 107 HA ARG 107 -1.670 0.285 7.168 831 HB2 ARG 107 2HB ARG 107 -0.449 0.765 9.087 832 HB3 ARG 107 1HB ARG 107 -0.991 2.437 9.139 833 HG2 ARG 107 2HG ARG 107 -3.146 1.761 9.954 834 HG3 ARG 107 1HG ARG 107 -2.754 0.061 9.702 835 HD2 ARG 107 2HD ARG 107 -2.592 0.910 12.086 836 HD3 ARG 107 1HD ARG 107 -1.192 0.052 11.455 837 HE ARG 107 HE ARG 107 -0.033 2.102 11.289 838 HH11 ARG 107 1HH1 ARG 107 -3.193 2.595 12.859 839 HH12 ARG 107 2HH1 ARG 107 -2.642 3.888 13.802 840 HH21 ARG 107 1HH2 ARG 107 0.681 3.870 12.614 841 HH22 ARG 107 2HH2 ARG 107 -0.406 4.624 13.692 842 H PHE 108 H PHE 108 -3.768 -0.108 7.388 843 HA PHE 108 HA PHE 108 -5.660 2.109 6.920 844 HB2 PHE 108 2HB PHE 108 -5.829 -0.769 5.968 845 HB3 PHE 108 1HB PHE 108 -7.079 0.442 5.753 846 HD1 PHE 108 2HD PHE 108 -3.659 -0.507 4.821 847 HD2 PHE 108 1HD PHE 108 -7.002 1.944 3.962 848 HE1 PHE 108 2HE PHE 108 -2.626 0.128 2.703 849 HE2 PHE 108 1HE PHE 108 -5.990 2.599 1.830 850 HZ PHE 108 HZ PHE 108 -3.794 1.691 1.185 851 H GLU 109 H GLU 109 -7.290 2.212 8.391 852 HA GLU 109 HA GLU 109 -8.153 -0.146 9.758 853 HB2 GLU 109 2HB GLU 109 -7.825 0.852 12.037 854 HB3 GLU 109 1HB GLU 109 -6.354 0.349 11.221 855 HG2 GLU 109 2HG GLU 109 -5.968 2.705 10.583 856 HG3 GLU 109 1HG GLU 109 -7.385 3.154 11.530 857 H GLN 110 H GLN 110 -9.964 0.320 11.210 858 HA GLN 110 HA GLN 110 -11.681 2.336 9.978 859 HB2 GLN 110 2HB GLN 110 -13.530 1.175 11.158 860 HB3 GLN 110 1HB GLN 110 -12.681 0.153 9.997 861 HG2 GLN 110 2HG GLN 110 -11.435 -0.842 11.858 862 HG3 GLN 110 1HG GLN 110 -12.339 0.154 12.990 863 HE21 GLN 110 1HE2 GLN 110 -12.156 -2.756 12.744 864 HE22 GLN 110 2HE2 GLN 110 -13.772 -3.312 12.527 865 H SER 111 H SER 111 -13.221 3.489 11.372 866 HA SER 111 HA SER 111 -12.470 3.893 14.112 867 HB2 SER 111 2HB SER 111 -12.475 6.349 13.704 868 HB3 SER 111 1HB SER 111 -11.063 5.510 13.041 869 HG SER 111 HG SER 111 -12.532 5.422 11.056 870 H SER 112 H SER 112 -14.169 4.751 15.293 871 HA SER 112 HA SER 112 -16.775 4.494 14.137 872 HB2 SER 112 2HB SER 112 -16.208 3.767 16.472 873 HB3 SER 112 1HB SER 112 -15.967 5.453 16.904 874 HG SER 112 HG SER 112 -18.371 4.555 15.765 875 H ASN 113 H ASN 113 -14.494 7.076 14.726 876 HA ASN 113 HA ASN 113 -16.170 9.311 14.891 877 HB2 ASN 113 2HB ASN 113 -13.392 9.131 13.718 878 HB3 ASN 113 1HB ASN 113 -14.215 10.579 14.260 879 HD21 ASN 113 1HD2 ASN 113 -14.382 10.975 16.504 880 HD22 ASN 113 2HD2 ASN 113 -13.367 10.118 17.607 881 H LEU 114 H LEU 114 -15.073 7.376 12.235 882 HA LEU 114 HA LEU 114 -15.939 9.370 10.313 883 HB2 LEU 114 2HB LEU 114 -14.409 6.819 10.064 884 HB3 LEU 114 1HB LEU 114 -14.932 7.755 8.663 885 HG LEU 114 HG LEU 114 -12.983 8.595 10.815 886 HD11 LEU 114 1HD1 LEU 114 -12.163 6.977 9.168 887 HD12 LEU 114 2HD1 LEU 114 -11.351 8.528 9.091 888 HD13 LEU 114 3HD1 LEU 114 -12.573 8.112 7.879 889 HD21 LEU 114 3HD2 LEU 114 -12.648 10.618 9.436 890 HD22 LEU 114 1HD2 LEU 114 -14.279 10.525 10.109 891 HD23 LEU 114 2HD2 LEU 114 -13.999 10.112 8.420 892 H HIS 115 H HIS 115 -17.629 9.118 9.042 893 HA HIS 115 HA HIS 115 -19.285 6.768 9.500 894 HB2 HIS 115 2HB HIS 115 -20.105 9.083 10.270 895 HB3 HIS 115 1HB HIS 115 -20.167 9.522 8.573 896 HD1 HIS 115 1HD HIS 115 -22.665 9.761 8.267 897 HD2 HIS 115 2HD HIS 115 -21.607 6.206 10.132 898 HE1 HIS 115 1HE HIS 115 -24.802 8.445 8.543 899 H THR 116 H THR 116 -20.763 6.531 7.368 900 HA THR 116 HA THR 116 -18.967 5.712 5.469 901 HB THR 116 HB THR 116 -21.963 5.905 5.370 902 HG1 THR 116 1HG THR 116 -19.964 4.149 6.177 903 HG21 THR 116 3HG2 THR 116 -20.057 4.372 3.570 904 HG22 THR 116 1HG2 THR 116 -21.039 5.750 3.070 905 HG23 THR 116 2HG2 THR 116 -21.816 4.237 3.552 906 H GLY 117 H GLY 117 -18.103 6.409 3.795 907 HA2 GLY 117 2HA GLY 117 -18.028 7.673 1.766 908 HA3 GLY 117 1HA GLY 117 -19.063 8.881 2.513 909 H GLN 118 H GLN 118 -17.085 8.185 4.916 910 HA GLN 118 HA GLN 118 -15.280 10.362 4.178 911 HB2 GLN 118 2HB GLN 118 -15.999 9.287 6.893 912 HB3 GLN 118 1HB GLN 118 -14.876 10.595 6.573 913 HG2 GLN 118 2HG GLN 118 -16.657 11.958 5.712 914 HG3 GLN 118 1HG GLN 118 -17.802 10.625 5.910 915 HE21 GLN 118 1HE2 GLN 118 -15.874 12.965 7.542 916 HE22 GLN 118 2HE2 GLN 118 -16.614 12.811 9.091 917 H PHE 119 H PHE 119 -13.140 10.034 4.118 918 HA PHE 119 HA PHE 119 -12.030 7.801 5.552 919 HB2 PHE 119 2HB PHE 119 -10.781 6.883 3.728 920 HB3 PHE 119 1HB PHE 119 -12.454 6.950 3.213 921 HD1 PHE 119 2HD PHE 119 -13.148 8.534 1.455 922 HD2 PHE 119 1HD PHE 119 -9.081 8.152 2.639 923 HE1 PHE 119 2HE PHE 119 -12.437 9.680 -0.608 924 HE2 PHE 119 1HE PHE 119 -8.362 9.278 0.594 925 HZ PHE 119 HZ PHE 119 -10.045 10.054 -1.044 926 H ARG 120 H ARG 120 -9.851 8.086 5.977 927 HA ARG 120 HA ARG 120 -8.868 10.773 5.349 928 HB2 ARG 120 2HB ARG 120 -8.270 9.250 7.886 929 HB3 ARG 120 1HB ARG 120 -7.750 10.871 7.479 930 HG2 ARG 120 2HG ARG 120 -10.074 11.624 7.582 931 HG3 ARG 120 1HG ARG 120 -10.566 9.998 8.058 932 HD2 ARG 120 2HD ARG 120 -8.784 11.921 9.555 933 HD3 ARG 120 1HD ARG 120 -10.355 11.293 10.052 934 HE ARG 120 HE ARG 120 -8.422 9.213 9.688 935 HH11 ARG 120 1HH1 ARG 120 -9.526 11.616 12.009 936 HH12 ARG 120 2HH1 ARG 120 -8.808 10.855 13.360 937 HH21 ARG 120 1HH2 ARG 120 -7.473 8.144 11.499 938 HH22 ARG 120 2HH2 ARG 120 -7.621 8.804 13.059 939 H ALA 121 H ALA 121 -6.759 10.831 4.753 940 HA ALA 121 HA ALA 121 -5.116 8.468 5.147 941 HB1 ALA 121 1HB ALA 121 -6.017 8.199 2.871 942 HB2 ALA 121 2HB ALA 121 -4.300 8.611 2.811 943 HB3 ALA 121 3HB ALA 121 -5.512 9.840 2.470 944 H ARG 122 H ARG 122 -3.418 9.244 6.148 945 HA ARG 122 HA ARG 122 -2.665 12.007 5.508 946 HB2 ARG 122 2HB ARG 122 -3.621 11.630 7.815 947 HB3 ARG 122 1HB ARG 122 -2.205 10.643 8.161 948 HG2 ARG 122 2HG ARG 122 -1.786 12.810 9.041 949 HG3 ARG 122 1HG ARG 122 -0.795 12.636 7.591 950 HD2 ARG 122 2HD ARG 122 -2.587 13.796 6.300 951 HD3 ARG 122 1HD ARG 122 -3.422 14.080 7.820 952 HE ARG 122 HE ARG 122 -0.804 15.075 7.968 953 HH11 ARG 122 1HH1 ARG 122 -3.932 15.753 6.462 954 HH12 ARG 122 2HH1 ARG 122 -3.634 17.409 6.214 955 HH21 ARG 122 1HH2 ARG 122 -0.398 17.392 7.697 956 HH22 ARG 122 2HH2 ARG 122 -1.579 18.365 6.952 957 H GLY 123 H GLY 123 -0.775 12.173 4.583 958 HA2 GLY 123 2HA GLY 123 1.139 10.003 4.915 959 HA3 GLY 123 1HA GLY 123 1.183 11.216 3.643 960 H THR 124 H THR 124 2.656 10.268 6.334 961 HA THR 124 HA THR 124 3.549 12.987 6.964 962 HB THR 124 HB THR 124 3.986 12.101 9.302 963 HG1 THR 124 1HG THR 124 2.642 9.885 8.210 964 HG21 THR 124 3HG2 THR 124 1.113 12.267 8.388 965 HG22 THR 124 1HG2 THR 124 2.135 13.611 8.900 966 HG23 THR 124 2HG2 THR 124 1.648 12.378 10.067 967 H VAL 125 H VAL 125 5.766 13.119 7.676 968 HA VAL 125 HA VAL 125 7.400 10.955 6.626 969 HB VAL 125 HB VAL 125 8.239 13.733 7.544 970 HG11 VAL 125 1HG1 VAL 125 10.337 13.268 6.353 971 HG12 VAL 125 2HG1 VAL 125 9.757 11.644 5.987 972 HG13 VAL 125 3HG1 VAL 125 10.048 12.118 7.660 973 HG21 VAL 125 3HG2 VAL 125 8.424 14.353 5.197 974 HG22 VAL 125 1HG2 VAL 125 6.772 13.867 5.568 975 HG23 VAL 125 2HG2 VAL 125 7.853 12.765 4.705 976 H ASN 126 H ASN 126 7.821 9.492 8.145 977 HA ASN 126 HA ASN 126 8.505 10.499 10.801 978 HB2 ASN 126 2HB ASN 126 6.454 9.146 10.967 979 HB3 ASN 126 1HB ASN 126 7.244 7.815 10.134 980 HD21 ASN 126 1HD2 ASN 126 6.717 6.537 11.963 981 HD22 ASN 126 2HD2 ASN 126 7.752 6.555 13.361 982 HA PRO 127 HA PRO 127 12.328 8.945 9.035 983 HB2 PRO 127 2HB PRO 127 13.590 10.435 11.202 984 HB3 PRO 127 1HB PRO 127 13.746 10.669 9.462 985 HG2 PRO 127 2HG PRO 127 12.444 12.394 11.107 986 HG3 PRO 127 1HG PRO 127 12.033 12.197 9.391 987 HD2 PRO 127 2HD PRO 127 10.675 11.160 11.832 988 HD3 PRO 127 1HD PRO 127 9.987 11.724 10.290 989 H ASP 128 H ASP 128 11.103 8.819 12.259 990 HA ASP 128 HA ASP 128 13.194 6.969 13.018 991 HB2 ASP 128 2HB ASP 128 12.749 8.749 14.650 992 HB3 ASP 128 1HB ASP 128 11.078 8.213 14.786 993 H VAL 129 H VAL 129 12.266 5.664 11.426 994 HA VAL 129 HA VAL 129 10.507 3.721 12.761 995 HB VAL 129 HB VAL 129 10.830 3.968 9.745 996 HG11 VAL 129 1HG1 VAL 129 10.348 1.712 10.471 997 HG12 VAL 129 2HG1 VAL 129 8.924 2.381 9.667 998 HG13 VAL 129 3HG1 VAL 129 8.982 2.279 11.426 999 HG21 VAL 129 3HG2 VAL 129 9.548 5.880 10.556 1000 HG22 VAL 129 1HG2 VAL 129 8.464 4.797 11.430 1001 HG23 VAL 129 2HG2 VAL 129 8.508 4.770 9.665 1002 H GLU 130 H GLU 130 11.991 2.489 13.620 1003 HA GLU 130 HA GLU 130 14.490 2.088 12.265 1004 HB2 GLU 130 2HB GLU 130 13.529 1.176 14.964 1005 HB3 GLU 130 1HB GLU 130 15.161 0.936 14.342 1006 HG2 GLU 130 2HG GLU 130 15.499 3.319 14.221 1007 HG3 GLU 130 1HG GLU 130 13.835 3.602 14.724 1008 H THR 131 H THR 131 14.257 0.789 10.650 1009 HA THR 131 HA THR 131 13.085 -1.828 11.154 1010 HB THR 131 HB THR 131 12.120 -0.580 9.224 1011 HG1 THR 131 1HG THR 131 12.034 -2.723 9.061 1012 HG21 THR 131 3HG2 THR 131 14.897 -0.766 8.033 1013 HG22 THR 131 1HG2 THR 131 14.048 0.713 8.481 1014 HG23 THR 131 2HG2 THR 131 13.451 -0.279 7.145 1015 H HIS 132 H HIS 132 14.419 -3.503 11.394 1016 HA HIS 132 HA HIS 132 16.959 -3.736 10.171 1017 HB2 HIS 132 2HB HIS 132 17.495 -2.022 11.917 1018 HB3 HIS 132 1HB HIS 132 16.928 -3.130 13.153 1019 HD1 HIS 132 1HD HIS 132 19.672 -2.969 10.488 1020 HD2 HIS 132 2HD HIS 132 18.850 -4.738 14.156 1021 HE1 HIS 132 1HE HIS 132 21.806 -4.046 11.234 Start of MODEL 30 1 H1 MET 1 1HT MET 1 -6.391 31.495 -31.837 2 H2 MET 1 2HT MET 1 -6.773 33.065 -32.279 3 H3 MET 1 3HT MET 1 -5.707 32.165 -33.238 4 HA MET 1 HA MET 1 -7.907 32.315 -34.208 5 HB2 MET 1 2HB MET 1 -8.282 29.945 -34.617 6 HB3 MET 1 1HB MET 1 -6.556 30.234 -34.563 7 HG2 MET 1 2HG MET 1 -8.205 29.081 -32.320 8 HG3 MET 1 1HG MET 1 -7.219 28.149 -33.436 9 HE1 MET 1 2HE MET 1 -5.316 27.884 -30.025 10 HE2 MET 1 3HE MET 1 -6.075 27.002 -31.347 11 HE3 MET 1 1HE MET 1 -7.063 27.979 -30.258 12 H GLY 2 H GLY 2 -10.125 32.096 -33.989 13 HA2 GLY 2 2HA GLY 2 -10.998 31.818 -31.203 14 HA3 GLY 2 1HA GLY 2 -11.752 32.902 -32.366 15 H SER 3 H SER 3 -11.395 29.621 -31.343 16 HA SER 3 HA SER 3 -13.762 28.915 -32.829 17 HB2 SER 3 2HB SER 3 -11.861 28.532 -34.402 18 HB3 SER 3 1HB SER 3 -11.129 27.455 -33.220 19 HG SER 3 HG SER 3 -12.790 26.830 -35.088 20 H GLN 4 H GLN 4 -14.968 27.898 -31.332 21 HA GLN 4 HA GLN 4 -14.051 25.644 -29.946 22 HB2 GLN 4 2HB GLN 4 -13.036 27.388 -28.471 23 HB3 GLN 4 1HB GLN 4 -14.642 28.044 -28.195 24 HG2 GLN 4 2HG GLN 4 -15.327 25.867 -27.233 25 HG3 GLN 4 1HG GLN 4 -13.672 25.299 -27.417 26 HE21 GLN 4 1HE2 GLN 4 -13.441 24.993 -25.175 27 HE22 GLN 4 2HE2 GLN 4 -13.321 26.347 -24.116 28 H LYS 5 H LYS 5 -15.743 24.408 -29.594 29 HA LYS 5 HA LYS 5 -18.325 25.589 -29.150 30 HB2 LYS 5 2HB LYS 5 -19.349 23.980 -30.829 31 HB3 LYS 5 1HB LYS 5 -18.476 25.338 -31.510 32 HG2 LYS 5 2HG LYS 5 -17.967 23.448 -32.841 33 HG3 LYS 5 1HG LYS 5 -16.538 23.780 -31.872 34 HD2 LYS 5 2HD LYS 5 -17.170 21.976 -30.337 35 HD3 LYS 5 1HD LYS 5 -18.602 21.648 -31.315 36 HE2 LYS 5 2HE LYS 5 -15.744 21.455 -32.261 37 HE3 LYS 5 1HE LYS 5 -16.758 20.090 -31.808 38 HZ1 LYS 5 3HZ LYS 5 -18.251 20.646 -33.614 39 HZ2 LYS 5 1HZ LYS 5 -16.705 20.387 -34.183 40 HZ3 LYS 5 2HZ LYS 5 -17.279 21.959 -34.073 41 H ARG 6 H ARG 6 -19.868 23.899 -28.400 42 HA ARG 6 HA ARG 6 -18.602 21.499 -27.501 43 HB2 ARG 6 2HB ARG 6 -18.048 23.069 -25.696 44 HB3 ARG 6 1HB ARG 6 -19.746 23.455 -25.504 45 HG2 ARG 6 2HG ARG 6 -20.205 21.182 -24.771 46 HG3 ARG 6 1HG ARG 6 -18.515 20.744 -25.037 47 HD2 ARG 6 2HD ARG 6 -17.849 22.419 -23.350 48 HD3 ARG 6 1HD ARG 6 -19.548 22.782 -23.077 49 HE ARG 6 HE ARG 6 -19.840 20.546 -22.262 50 HH11 ARG 6 1HH1 ARG 6 -16.474 21.594 -22.567 51 HH12 ARG 6 2HH1 ARG 6 -15.872 20.582 -21.363 52 HH21 ARG 6 1HH2 ARG 6 -19.018 19.092 -20.595 53 HH22 ARG 6 2HH2 ARG 6 -17.376 19.088 -20.219 54 H LEU 7 H LEU 7 -20.034 20.749 -29.033 55 HA LEU 7 HA LEU 7 -22.746 20.461 -27.986 56 HB2 LEU 7 2HB LEU 7 -22.428 21.547 -30.312 57 HB3 LEU 7 1HB LEU 7 -21.817 20.006 -30.846 58 HG LEU 7 HG LEU 7 -24.144 20.420 -31.554 59 HD11 LEU 7 1HD1 LEU 7 -25.159 18.308 -30.863 60 HD12 LEU 7 2HD1 LEU 7 -23.916 18.123 -29.624 61 HD13 LEU 7 3HD1 LEU 7 -23.469 18.112 -31.330 62 HD21 LEU 7 3HD2 LEU 7 -24.794 20.370 -28.612 63 HD22 LEU 7 1HD2 LEU 7 -25.965 20.391 -29.930 64 HD23 LEU 7 2HD2 LEU 7 -24.891 21.768 -29.683 65 H VAL 8 H VAL 8 -22.424 18.745 -26.715 66 HA VAL 8 HA VAL 8 -20.915 16.489 -27.814 67 HB VAL 8 HB VAL 8 -21.393 17.193 -24.905 68 HG11 VAL 8 1HG1 VAL 8 -19.680 15.033 -26.132 69 HG12 VAL 8 2HG1 VAL 8 -21.181 14.790 -25.241 70 HG13 VAL 8 3HG1 VAL 8 -19.757 15.422 -24.414 71 HG21 VAL 8 3HG2 VAL 8 -19.854 18.774 -25.947 72 HG22 VAL 8 1HG2 VAL 8 -18.882 17.437 -26.562 73 HG23 VAL 8 2HG2 VAL 8 -18.989 17.723 -24.824 74 H GLN 9 H GLN 9 -22.303 15.034 -28.561 75 HA GLN 9 HA GLN 9 -24.857 14.667 -27.300 76 HB2 GLN 9 2HB GLN 9 -23.467 12.959 -29.383 77 HB3 GLN 9 1HB GLN 9 -25.144 12.826 -28.896 78 HG2 GLN 9 2HG GLN 9 -25.600 15.048 -29.777 79 HG3 GLN 9 1HG GLN 9 -23.914 15.206 -30.263 80 HE21 GLN 9 1HE2 GLN 9 -26.340 15.255 -31.859 81 HE22 GLN 9 2HE2 GLN 9 -26.149 14.020 -33.048 82 H ARG 10 H ARG 10 -24.745 13.867 -25.376 83 HA ARG 10 HA ARG 10 -22.653 12.113 -24.618 84 HB2 ARG 10 2HB ARG 10 -23.871 12.011 -22.394 85 HB3 ARG 10 1HB ARG 10 -23.243 13.571 -22.901 86 HG2 ARG 10 2HG ARG 10 -25.438 14.246 -23.622 87 HG3 ARG 10 1HG ARG 10 -26.086 12.661 -23.182 88 HD2 ARG 10 2HD ARG 10 -25.526 13.030 -20.875 89 HD3 ARG 10 1HD ARG 10 -24.737 14.553 -21.279 90 HE ARG 10 HE ARG 10 -27.176 14.989 -22.185 91 HH11 ARG 10 1HH1 ARG 10 -26.145 13.604 -19.118 92 HH12 ARG 10 2HH1 ARG 10 -27.438 14.237 -18.221 93 HH21 ARG 10 1HH2 ARG 10 -28.917 15.904 -20.990 94 HH22 ARG 10 2HH2 ARG 10 -29.071 15.600 -19.313 95 H VAL 11 H VAL 11 -22.928 10.519 -26.032 96 HA VAL 11 HA VAL 11 -25.147 8.805 -26.126 97 HB VAL 11 HB VAL 11 -22.242 8.205 -26.801 98 HG11 VAL 11 1HG1 VAL 11 -23.588 6.177 -26.563 99 HG12 VAL 11 2HG1 VAL 11 -23.144 6.446 -28.250 100 HG13 VAL 11 3HG1 VAL 11 -24.773 6.826 -27.697 101 HG21 VAL 11 3HG2 VAL 11 -22.870 8.731 -29.125 102 HG22 VAL 11 1HG2 VAL 11 -23.057 10.127 -28.064 103 HG23 VAL 11 2HG2 VAL 11 -24.471 9.206 -28.574 104 H GLU 12 H GLU 12 -25.725 7.326 -24.768 105 HA GLU 12 HA GLU 12 -24.517 7.086 -22.251 106 HB2 GLU 12 2HB GLU 12 -26.673 5.522 -23.629 107 HB3 GLU 12 1HB GLU 12 -26.212 5.288 -21.943 108 HG2 GLU 12 2HG GLU 12 -26.884 7.446 -21.351 109 HG3 GLU 12 1HG GLU 12 -27.029 7.947 -23.032 110 H ARG 13 H ARG 13 -23.211 5.617 -21.429 111 HA ARG 13 HA ARG 13 -21.730 3.955 -23.232 112 HB2 ARG 13 2HB ARG 13 -21.652 4.158 -20.219 113 HB3 ARG 13 1HB ARG 13 -20.543 3.218 -21.194 114 HG2 ARG 13 2HG ARG 13 -19.704 5.260 -22.221 115 HG3 ARG 13 1HG ARG 13 -20.834 6.214 -21.249 116 HD2 ARG 13 2HD ARG 13 -19.799 5.377 -19.206 117 HD3 ARG 13 1HD ARG 13 -18.692 4.390 -20.153 118 HE ARG 13 HE ARG 13 -18.317 6.943 -21.040 119 HH11 ARG 13 1HH1 ARG 13 -18.105 5.387 -17.846 120 HH12 ARG 13 2HH1 ARG 13 -16.822 6.369 -17.314 121 HH21 ARG 13 1HH2 ARG 13 -16.583 8.269 -20.284 122 HH22 ARG 13 2HH2 ARG 13 -15.926 8.053 -18.729 123 H LYS 14 H LYS 14 -21.829 1.790 -23.335 124 HA LYS 14 HA LYS 14 -24.199 0.556 -22.317 125 HB2 LYS 14 2HB LYS 14 -21.880 -0.554 -23.906 126 HB3 LYS 14 1HB LYS 14 -23.337 -1.454 -23.502 127 HG2 LYS 14 2HG LYS 14 -24.702 0.068 -24.811 128 HG3 LYS 14 1HG LYS 14 -23.296 1.079 -25.138 129 HD2 LYS 14 2HD LYS 14 -23.521 -1.809 -25.976 130 HD3 LYS 14 1HD LYS 14 -23.962 -0.455 -27.008 131 HE2 LYS 14 2HE LYS 14 -21.226 -0.876 -25.799 132 HE3 LYS 14 1HE LYS 14 -21.681 -1.334 -27.432 133 HZ1 LYS 14 3HZ LYS 14 -20.555 0.789 -27.413 134 HZ2 LYS 14 1HZ LYS 14 -21.684 1.455 -26.356 135 HZ3 LYS 14 2HZ LYS 14 -22.140 1.002 -27.915 136 H LEU 15 H LEU 15 -23.950 0.693 -20.201 137 HA LEU 15 HA LEU 15 -21.643 0.042 -18.728 138 HB2 LEU 15 2HB LEU 15 -24.522 0.123 -17.832 139 HB3 LEU 15 1HB LEU 15 -23.123 0.132 -16.780 140 HG LEU 15 HG LEU 15 -23.881 2.326 -18.714 141 HD11 LEU 15 1HD1 LEU 15 -24.039 2.203 -15.709 142 HD12 LEU 15 2HD1 LEU 15 -25.400 2.198 -16.827 143 HD13 LEU 15 3HD1 LEU 15 -24.366 3.624 -16.702 144 HD21 LEU 15 3HD2 LEU 15 -21.645 2.177 -16.683 145 HD22 LEU 15 1HD2 LEU 15 -22.098 3.610 -17.608 146 HD23 LEU 15 2HD2 LEU 15 -21.463 2.194 -18.437 147 H GLU 16 H GLU 16 -21.091 -1.800 -17.684 148 HA GLU 16 HA GLU 16 -22.570 -4.090 -18.629 149 HB2 GLU 16 2HB GLU 16 -20.118 -3.972 -19.116 150 HB3 GLU 16 1HB GLU 16 -19.825 -4.108 -17.388 151 HG2 GLU 16 2HG GLU 16 -19.633 -6.263 -18.594 152 HG3 GLU 16 1HG GLU 16 -20.851 -6.279 -17.315 153 H GLN 17 H GLN 17 -23.434 -5.509 -17.377 154 HA GLN 17 HA GLN 17 -23.977 -4.719 -14.648 155 HB2 GLN 17 2HB GLN 17 -24.987 -7.150 -16.157 156 HB3 GLN 17 1HB GLN 17 -25.702 -6.413 -14.725 157 HG2 GLN 17 2HG GLN 17 -26.263 -4.409 -16.042 158 HG3 GLN 17 1HG GLN 17 -25.543 -5.156 -17.456 159 HE21 GLN 17 1HE2 GLN 17 -28.236 -4.201 -17.099 160 HE22 GLN 17 2HE2 GLN 17 -29.253 -5.562 -17.418 161 H THR 18 H THR 18 -21.987 -5.057 -13.738 162 HA THR 18 HA THR 18 -20.439 -7.342 -14.235 163 HB THR 18 HB THR 18 -19.071 -6.370 -12.312 164 HG1 THR 18 1HG THR 18 -20.767 -5.225 -11.394 165 HG21 THR 18 3HG2 THR 18 -19.704 -4.656 -14.725 166 HG22 THR 18 1HG2 THR 18 -18.559 -5.996 -14.692 167 HG23 THR 18 2HG2 THR 18 -18.240 -4.543 -13.743 168 H VAL 19 H VAL 19 -21.532 -9.109 -13.710 169 HA VAL 19 HA VAL 19 -22.692 -9.501 -11.157 170 HB VAL 19 HB VAL 19 -23.561 -10.693 -13.133 171 HG11 VAL 19 1HG1 VAL 19 -21.531 -11.042 -14.392 172 HG12 VAL 19 2HG1 VAL 19 -22.362 -12.576 -14.144 173 HG13 VAL 19 3HG1 VAL 19 -20.943 -12.176 -13.178 174 HG21 VAL 19 3HG2 VAL 19 -23.974 -11.689 -10.972 175 HG22 VAL 19 1HG2 VAL 19 -22.431 -12.543 -11.046 176 HG23 VAL 19 2HG2 VAL 19 -23.722 -12.959 -12.174 177 H GLY 20 H GLY 20 -21.751 -10.150 -9.377 178 HA2 GLY 20 2HA GLY 20 -20.256 -11.493 -8.142 179 HA3 GLY 20 1HA GLY 20 -19.188 -11.553 -9.538 180 H ASP 21 H ASP 21 -20.106 -8.481 -9.466 181 HA ASP 21 HA ASP 21 -17.691 -7.681 -8.116 182 HB2 ASP 21 2HB ASP 21 -19.629 -6.241 -9.871 183 HB3 ASP 21 1HB ASP 21 -18.653 -5.291 -8.756 184 H ALA 22 H ALA 22 -17.995 -8.196 -6.145 185 HA ALA 22 HA ALA 22 -20.254 -7.607 -4.589 186 HB1 ALA 22 1HB ALA 22 -17.451 -8.231 -3.681 187 HB2 ALA 22 2HB ALA 22 -18.700 -9.423 -4.042 188 HB3 ALA 22 3HB ALA 22 -18.910 -8.306 -2.691 189 H PHE 23 H PHE 23 -17.050 -6.181 -4.566 190 HA PHE 23 HA PHE 23 -17.497 -4.241 -2.649 191 HB2 PHE 23 2HB PHE 23 -15.673 -4.459 -4.958 192 HB3 PHE 23 1HB PHE 23 -15.616 -2.988 -3.964 193 HD1 PHE 23 1HD PHE 23 -15.674 -6.718 -3.498 194 HD2 PHE 23 2HD PHE 23 -14.002 -2.990 -2.306 195 HE1 PHE 23 1HE PHE 23 -14.225 -7.888 -1.931 196 HE2 PHE 23 2HE PHE 23 -12.531 -4.161 -0.726 197 HZ PHE 23 HZ PHE 23 -12.637 -6.614 -0.530 198 H ALA 24 H ALA 24 -17.830 -3.889 -6.149 199 HA ALA 24 HA ALA 24 -18.655 -1.235 -6.194 200 HB1 ALA 24 1HB ALA 24 -18.002 -2.504 -8.201 201 HB2 ALA 24 2HB ALA 24 -19.562 -1.711 -8.402 202 HB3 ALA 24 3HB ALA 24 -19.494 -3.442 -8.074 203 H ARG 25 H ARG 25 -20.557 -4.203 -5.817 204 HA ARG 25 HA ARG 25 -22.967 -2.698 -5.701 205 HB2 ARG 25 2HB ARG 25 -22.434 -5.642 -5.658 206 HB3 ARG 25 1HB ARG 25 -24.048 -4.970 -5.402 207 HG2 ARG 25 2HG ARG 25 -23.933 -3.815 -7.529 208 HG3 ARG 25 1HG ARG 25 -22.304 -4.423 -7.792 209 HD2 ARG 25 2HD ARG 25 -23.131 -6.666 -7.973 210 HD3 ARG 25 1HD ARG 25 -24.762 -6.143 -7.520 211 HE ARG 25 HE ARG 25 -23.782 -4.693 -9.743 212 HH11 ARG 25 1HH1 ARG 25 -25.041 -7.907 -9.001 213 HH12 ARG 25 2HH1 ARG 25 -25.877 -8.049 -10.493 214 HH21 ARG 25 1HH2 ARG 25 -24.937 -4.895 -11.742 215 HH22 ARG 25 2HH2 ARG 25 -25.843 -6.323 -12.059 216 H ILE 26 H ILE 26 -20.787 -3.857 -3.340 217 HA ILE 26 HA ILE 26 -22.543 -3.745 -1.137 218 HB ILE 26 HB ILE 26 -19.580 -3.671 -1.458 219 HG12 ILE 26 2HG1 ILE 26 -19.650 -5.204 0.532 220 HG13 ILE 26 1HG1 ILE 26 -21.393 -5.027 0.546 221 HG21 ILE 26 1HG2 ILE 26 -19.816 -1.649 -0.146 222 HG22 ILE 26 2HG2 ILE 26 -19.065 -2.925 0.804 223 HG23 ILE 26 3HG2 ILE 26 -20.764 -2.519 1.061 224 HD11 ILE 26 3HD1 ILE 26 -19.734 -6.222 -1.649 225 HD12 ILE 26 1HD1 ILE 26 -21.491 -6.060 -1.668 226 HD13 ILE 26 2HD1 ILE 26 -20.703 -7.099 -0.473 227 H PHE 27 H PHE 27 -20.653 -1.311 -2.787 228 HA PHE 27 HA PHE 27 -21.690 0.783 -1.089 229 HB2 PHE 27 2HB PHE 27 -20.071 1.010 -3.630 230 HB3 PHE 27 1HB PHE 27 -20.416 2.313 -2.499 231 HD1 PHE 27 2HD PHE 27 -19.765 1.626 0.039 232 HD2 PHE 27 1HD PHE 27 -18.002 0.111 -3.506 233 HE1 PHE 27 2HE PHE 27 -17.740 1.043 1.312 234 HE2 PHE 27 1HE PHE 27 -15.959 -0.484 -2.245 235 HZ PHE 27 HZ PHE 27 -15.837 -0.013 0.171 236 H GLY 28 H GLY 28 -22.616 -0.807 -3.920 237 HA2 GLY 28 2HA GLY 28 -24.705 -0.679 -4.948 238 HA3 GLY 28 1HA GLY 28 -25.003 0.834 -4.099 239 H GLY 29 H GLY 29 -23.428 2.589 -4.771 240 HA2 GLY 29 2HA GLY 29 -23.870 3.036 -7.573 241 HA3 GLY 29 1HA GLY 29 -23.185 4.192 -6.445 242 H SER 30 H SER 30 -21.857 1.035 -6.793 243 HA SER 30 HA SER 30 -19.865 0.264 -7.297 244 HB2 SER 30 2HB SER 30 -19.105 0.658 -9.673 245 HB3 SER 30 1HB SER 30 -20.766 0.107 -9.503 246 HG SER 30 HG SER 30 -20.840 2.718 -9.408 247 H ILE 31 H ILE 31 -18.862 1.371 -5.533 248 HA ILE 31 HA ILE 31 -17.090 3.490 -6.415 249 HB ILE 31 HB ILE 31 -17.509 2.373 -3.609 250 HG12 ILE 31 2HG1 ILE 31 -18.382 5.016 -4.820 251 HG13 ILE 31 1HG1 ILE 31 -19.443 3.657 -4.470 252 HG21 ILE 31 1HG2 ILE 31 -15.864 4.743 -4.529 253 HG22 ILE 31 2HG2 ILE 31 -15.226 3.218 -3.917 254 HG23 ILE 31 3HG2 ILE 31 -16.145 4.280 -2.850 255 HD11 ILE 31 3HD1 ILE 31 -17.894 5.260 -2.444 256 HD12 ILE 31 1HD1 ILE 31 -18.971 3.913 -2.084 257 HD13 ILE 31 2HD1 ILE 31 -19.621 5.400 -2.776 258 H VAL 32 H VAL 32 -15.528 2.663 -7.520 259 HA VAL 32 HA VAL 32 -14.485 0.054 -6.970 260 HB VAL 32 HB VAL 32 -13.505 2.129 -8.963 261 HG11 VAL 32 1HG1 VAL 32 -12.533 0.229 -10.163 262 HG12 VAL 32 2HG1 VAL 32 -13.065 -0.852 -8.875 263 HG13 VAL 32 3HG1 VAL 32 -11.857 0.390 -8.544 264 HG21 VAL 32 3HG2 VAL 32 -15.850 1.608 -9.371 265 HG22 VAL 32 1HG2 VAL 32 -15.480 -0.116 -9.374 266 HG23 VAL 32 2HG2 VAL 32 -14.835 0.926 -10.642 267 HA PRO 33 HA PRO 33 -11.406 1.583 -4.025 268 HB2 PRO 33 2HB PRO 33 -9.909 -0.862 -4.759 269 HB3 PRO 33 1HB PRO 33 -10.495 -0.341 -3.176 270 HG2 PRO 33 2HG PRO 33 -11.678 -2.343 -4.455 271 HG3 PRO 33 1HG PRO 33 -12.642 -1.144 -3.572 272 HD2 PRO 33 2HD PRO 33 -12.138 -1.365 -6.519 273 HD3 PRO 33 1HD PRO 33 -13.650 -1.042 -5.633 274 H GLN 34 H GLN 34 -11.045 2.339 -6.927 275 HA GLN 34 HA GLN 34 -8.137 2.147 -7.222 276 HB2 GLN 34 2HB GLN 34 -8.455 2.966 -9.515 277 HB3 GLN 34 1HB GLN 34 -9.402 1.525 -9.193 278 HG2 GLN 34 2HG GLN 34 -11.409 2.858 -8.965 279 HG3 GLN 34 1HG GLN 34 -10.482 4.338 -9.190 280 HE21 GLN 34 1HE2 GLN 34 -9.676 4.808 -11.214 281 HE22 GLN 34 2HE2 GLN 34 -10.278 4.083 -12.653 282 H GLU 35 H GLU 35 -10.555 4.387 -6.294 283 HA GLU 35 HA GLU 35 -9.124 6.747 -6.980 284 HB2 GLU 35 2HB GLU 35 -11.526 6.890 -6.666 285 HB3 GLU 35 1HB GLU 35 -11.398 6.306 -5.017 286 HG2 GLU 35 2HG GLU 35 -10.227 8.349 -4.379 287 HG3 GLU 35 1HG GLU 35 -10.323 8.926 -6.036 288 H VAL 36 H VAL 36 -9.255 4.668 -4.203 289 HA VAL 36 HA VAL 36 -7.800 6.166 -2.358 290 HB VAL 36 HB VAL 36 -7.630 3.153 -2.747 291 HG11 VAL 36 1HG1 VAL 36 -6.987 4.834 -0.322 292 HG12 VAL 36 2HG1 VAL 36 -5.819 3.991 -1.340 293 HG13 VAL 36 3HG1 VAL 36 -6.979 3.072 -0.378 294 HG21 VAL 36 3HG2 VAL 36 -9.349 3.023 -0.992 295 HG22 VAL 36 1HG2 VAL 36 -9.936 3.877 -2.416 296 HG23 VAL 36 2HG2 VAL 36 -9.460 4.782 -0.981 297 H GLU 37 H GLU 37 -6.584 3.900 -4.816 298 HA GLU 37 HA GLU 37 -3.841 4.184 -4.274 299 HB2 GLU 37 2HB GLU 37 -5.140 3.565 -6.935 300 HB3 GLU 37 1HB GLU 37 -3.472 3.234 -6.496 301 HG2 GLU 37 2HG GLU 37 -4.266 1.685 -4.758 302 HG3 GLU 37 1HG GLU 37 -5.924 1.983 -5.277 303 H ALA 38 H ALA 38 -5.966 5.892 -6.493 304 HA ALA 38 HA ALA 38 -4.072 7.498 -7.785 305 HB1 ALA 38 1HB ALA 38 -6.359 7.246 -8.586 306 HB2 ALA 38 2HB ALA 38 -5.960 8.951 -8.359 307 HB3 ALA 38 3HB ALA 38 -6.959 8.110 -7.172 308 H LEU 39 H LEU 39 -6.002 8.102 -4.873 309 HA LEU 39 HA LEU 39 -4.820 10.658 -4.498 310 HB2 LEU 39 2HB LEU 39 -6.557 9.045 -2.655 311 HB3 LEU 39 1HB LEU 39 -5.976 10.658 -2.296 312 HG LEU 39 HG LEU 39 -7.869 9.865 -4.507 313 HD11 LEU 39 1HD1 LEU 39 -8.851 10.000 -2.278 314 HD12 LEU 39 2HD1 LEU 39 -9.427 11.295 -3.328 315 HD13 LEU 39 3HD1 LEU 39 -8.208 11.630 -2.101 316 HD21 LEU 39 3HD2 LEU 39 -6.620 12.543 -3.902 317 HD22 LEU 39 1HD2 LEU 39 -7.979 12.290 -5.005 318 HD23 LEU 39 2HD2 LEU 39 -6.407 11.581 -5.363 319 H LEU 40 H LEU 40 -3.953 7.484 -3.455 320 HA LEU 40 HA LEU 40 -2.214 8.329 -1.387 321 HB2 LEU 40 2HB LEU 40 -2.136 5.852 -3.112 322 HB3 LEU 40 1HB LEU 40 -1.025 6.132 -1.784 323 HG LEU 40 HG LEU 40 -4.015 5.809 -1.592 324 HD11 LEU 40 1HD1 LEU 40 -3.458 3.742 -0.425 325 HD12 LEU 40 2HD1 LEU 40 -1.742 4.046 -0.714 326 HD13 LEU 40 3HD1 LEU 40 -2.832 3.756 -2.074 327 HD21 LEU 40 3HD2 LEU 40 -1.954 6.246 0.573 328 HD22 LEU 40 1HD2 LEU 40 -3.648 5.829 0.836 329 HD23 LEU 40 2HD2 LEU 40 -3.233 7.366 0.100 330 H ARG 41 H ARG 41 -1.799 7.939 -4.812 331 HA ARG 41 HA ARG 41 0.972 8.522 -4.941 332 HB2 ARG 41 2HB ARG 41 -1.163 9.176 -6.977 333 HB3 ARG 41 1HB ARG 41 0.565 9.106 -7.286 334 HG2 ARG 41 2HG ARG 41 0.563 6.734 -6.861 335 HG3 ARG 41 1HG ARG 41 -1.175 6.806 -6.507 336 HD2 ARG 41 2HD ARG 41 -0.680 6.106 -8.842 337 HD3 ARG 41 1HD ARG 41 -1.656 7.575 -8.731 338 HE ARG 41 HE ARG 41 1.249 7.802 -9.035 339 HH11 ARG 41 1HH1 ARG 41 -1.943 8.202 -10.507 340 HH12 ARG 41 2HH1 ARG 41 -1.384 9.262 -11.706 341 HH21 ARG 41 1HH2 ARG 41 1.968 9.252 -10.667 342 HH22 ARG 41 2HH2 ARG 41 0.899 9.840 -11.842 343 H ARG 42 H ARG 42 -1.906 10.512 -5.053 344 HA ARG 42 HA ARG 42 -0.501 12.977 -5.361 345 HB2 ARG 42 2HB ARG 42 -3.360 12.453 -4.527 346 HB3 ARG 42 1HB ARG 42 -2.703 14.050 -4.878 347 HG2 ARG 42 2HG ARG 42 -2.767 11.763 -6.823 348 HG3 ARG 42 1HG ARG 42 -3.961 13.063 -6.774 349 HD2 ARG 42 2HD ARG 42 -2.360 14.684 -7.361 350 HD3 ARG 42 1HD ARG 42 -1.004 13.600 -7.094 351 HE ARG 42 HE ARG 42 -2.520 12.455 -9.061 352 HH11 ARG 42 1HH1 ARG 42 -0.959 15.599 -8.651 353 HH12 ARG 42 2HH1 ARG 42 -0.435 15.727 -10.267 354 HH21 ARG 42 1HH2 ARG 42 -1.779 12.614 -11.300 355 HH22 ARG 42 2HH2 ARG 42 -0.920 13.992 -11.802 356 H GLU 43 H GLU 43 -1.539 11.136 -2.640 357 HA GLU 43 HA GLU 43 -1.090 13.071 -0.646 358 HB2 GLU 43 2HB GLU 43 -2.361 10.926 -0.390 359 HB3 GLU 43 1HB GLU 43 -0.837 10.065 -0.469 360 HG2 GLU 43 2HG GLU 43 -1.659 10.319 1.816 361 HG3 GLU 43 1HG GLU 43 -0.097 11.103 1.567 362 H ALA 44 H ALA 44 0.921 10.509 -2.048 363 HA ALA 44 HA ALA 44 3.268 10.972 -0.610 364 HB1 ALA 44 1HB ALA 44 2.924 8.998 -2.027 365 HB2 ALA 44 2HB ALA 44 4.416 9.833 -2.462 366 HB3 ALA 44 3HB ALA 44 2.978 10.018 -3.464 367 H ALA 45 H ALA 45 2.062 12.378 -3.591 368 HA ALA 45 HA ALA 45 4.271 14.057 -4.110 369 HB1 ALA 45 1HB ALA 45 2.800 15.213 -5.673 370 HB2 ALA 45 2HB ALA 45 1.399 14.412 -4.966 371 HB3 ALA 45 3HB ALA 45 2.615 13.465 -5.825 372 H ASP 46 H ASP 46 1.344 14.482 -2.223 373 HA ASP 46 HA ASP 46 1.579 17.275 -1.811 374 HB2 ASP 46 2HB ASP 46 -0.555 16.161 -1.500 375 HB3 ASP 46 1HB ASP 46 0.120 15.151 -0.237 376 H GLY 47 H GLY 47 2.687 14.479 -0.028 377 HA2 GLY 47 2HA GLY 47 3.696 16.079 2.153 378 HA3 GLY 47 1HA GLY 47 3.814 14.336 1.992 379 H ILE 48 H ILE 48 4.868 15.763 -0.836 380 HA ILE 48 HA ILE 48 7.513 14.972 -0.568 381 HB ILE 48 HB ILE 48 6.049 16.700 -2.522 382 HG12 ILE 48 2HG1 ILE 48 5.795 14.293 -2.688 383 HG13 ILE 48 1HG1 ILE 48 6.612 14.931 -4.112 384 HG21 ILE 48 1HG2 ILE 48 8.171 17.797 -2.407 385 HG22 ILE 48 2HG2 ILE 48 7.998 16.934 -3.940 386 HG23 ILE 48 3HG2 ILE 48 9.012 16.262 -2.657 387 HD11 ILE 48 3HD1 ILE 48 7.872 13.447 -1.805 388 HD12 ILE 48 1HD1 ILE 48 8.763 14.180 -3.144 389 HD13 ILE 48 2HD1 ILE 48 7.627 12.871 -3.449 390 H GLN 49 H GLN 49 9.247 15.831 0.200 391 HA GLN 49 HA GLN 49 9.189 18.642 0.969 392 HB2 GLN 49 2HB GLN 49 10.469 16.288 2.319 393 HB3 GLN 49 1HB GLN 49 10.942 17.948 2.678 394 HG2 GLN 49 2HG GLN 49 8.742 18.492 3.332 395 HG3 GLN 49 1HG GLN 49 8.139 16.897 2.896 396 HE21 GLN 49 1HE2 GLN 49 10.544 15.562 4.026 397 HE22 GLN 49 2HE2 GLN 49 10.344 15.615 5.724 398 H SER 50 H SER 50 10.714 19.877 0.336 399 HA SER 50 HA SER 50 12.386 19.048 -1.816 400 HB2 SER 50 2HB SER 50 12.349 21.683 -0.317 401 HB3 SER 50 1HB SER 50 13.067 21.383 -1.898 402 HG SER 50 HG SER 50 11.045 20.914 -2.708 403 H LEU 51 H LEU 51 14.056 17.857 -1.430 404 HA LEU 51 HA LEU 51 15.733 18.303 0.927 405 HB2 LEU 51 2HB LEU 51 14.484 16.067 0.501 406 HB3 LEU 51 1HB LEU 51 15.606 15.832 -0.816 407 HG LEU 51 HG LEU 51 17.489 15.858 0.882 408 HD11 LEU 51 1HD1 LEU 51 15.236 15.849 2.858 409 HD12 LEU 51 2HD1 LEU 51 16.410 17.149 2.618 410 HD13 LEU 51 3HD1 LEU 51 16.939 15.577 3.213 411 HD21 LEU 51 3HD2 LEU 51 15.318 13.829 1.307 412 HD22 LEU 51 1HD2 LEU 51 17.015 13.639 1.743 413 HD23 LEU 51 2HD2 LEU 51 16.547 13.773 0.046 414 H GLN 52 H GLN 52 18.002 16.987 -0.074 415 HA GLN 52 HA GLN 52 19.395 18.825 -1.564 416 HB2 GLN 52 2HB GLN 52 19.800 15.851 -1.318 417 HB3 GLN 52 1HB GLN 52 20.959 16.952 -2.041 418 HG2 GLN 52 2HG GLN 52 19.960 17.127 0.775 419 HG3 GLN 52 1HG GLN 52 21.464 16.338 0.272 420 HE21 GLN 52 1HE2 GLN 52 23.139 17.568 -0.451 421 HE22 GLN 52 2HE2 GLN 52 23.263 19.259 -0.183 422 H GLY 53 H GLY 53 20.377 18.521 -3.647 423 HA2 GLY 53 2HA GLY 53 18.390 18.594 -5.667 424 HA3 GLY 53 1HA GLY 53 20.120 18.718 -5.915 425 H ASN 54 H ASN 54 19.933 15.964 -4.346 426 HA ASN 54 HA ASN 54 20.216 14.351 -6.660 427 HB2 ASN 54 2HB ASN 54 19.819 13.496 -3.774 428 HB3 ASN 54 1HB ASN 54 20.184 12.409 -5.092 429 HD21 ASN 54 1HD2 ASN 54 21.594 13.014 -2.627 430 HD22 ASN 54 2HD2 ASN 54 23.187 13.465 -3.088 431 H ARG 55 H ARG 55 17.665 14.741 -4.170 432 HA ARG 55 HA ARG 55 15.588 14.353 -5.901 433 HB2 ARG 55 2HB ARG 55 14.754 12.101 -5.101 434 HB3 ARG 55 1HB ARG 55 16.077 12.124 -6.251 435 HG2 ARG 55 2HG ARG 55 17.641 11.778 -4.392 436 HG3 ARG 55 1HG ARG 55 16.260 11.620 -3.301 437 HD2 ARG 55 2HD ARG 55 15.393 9.779 -4.492 438 HD3 ARG 55 1HD ARG 55 16.600 9.941 -5.778 439 HE ARG 55 HE ARG 55 17.629 9.450 -3.135 440 HH11 ARG 55 1HH1 ARG 55 16.571 8.008 -6.180 441 HH12 ARG 55 2HH1 ARG 55 17.303 6.500 -5.873 442 HH21 ARG 55 1HH2 ARG 55 18.584 7.378 -2.708 443 HH22 ARG 55 2HH2 ARG 55 18.473 6.139 -3.869 444 H LEU 56 H LEU 56 13.533 13.774 -4.808 445 HA LEU 56 HA LEU 56 13.292 15.542 -2.503 446 HB2 LEU 56 2HB LEU 56 11.221 14.298 -4.296 447 HB3 LEU 56 1HB LEU 56 10.924 15.499 -3.052 448 HG LEU 56 HG LEU 56 12.611 15.963 -5.511 449 HD11 LEU 56 1HD1 LEU 56 10.269 15.674 -6.097 450 HD12 LEU 56 2HD1 LEU 56 10.778 17.351 -6.290 451 HD13 LEU 56 3HD1 LEU 56 9.813 16.880 -4.893 452 HD21 LEU 56 3HD2 LEU 56 11.638 17.827 -3.358 453 HD22 LEU 56 1HD2 LEU 56 12.470 18.313 -4.838 454 HD23 LEU 56 2HD2 LEU 56 13.312 17.324 -3.650 455 H LEU 57 H LEU 57 12.085 15.025 -0.703 456 HA LEU 57 HA LEU 57 12.318 12.211 0.025 457 HB2 LEU 57 2HB LEU 57 13.363 14.247 1.301 458 HB3 LEU 57 1HB LEU 57 11.744 14.530 1.861 459 HG LEU 57 HG LEU 57 13.121 13.393 3.537 460 HD11 LEU 57 1HD1 LEU 57 10.914 11.652 2.508 461 HD12 LEU 57 2HD1 LEU 57 10.756 13.009 3.622 462 HD13 LEU 57 3HD1 LEU 57 11.643 11.564 4.111 463 HD21 LEU 57 3HD2 LEU 57 14.621 12.144 2.112 464 HD22 LEU 57 1HD2 LEU 57 13.286 11.137 1.552 465 HD23 LEU 57 2HD2 LEU 57 13.801 11.065 3.234 466 H ALA 58 H ALA 58 10.523 11.055 0.221 467 HA ALA 58 HA ALA 58 7.913 12.380 0.077 468 HB1 ALA 58 1HB ALA 58 7.127 10.248 -0.894 469 HB2 ALA 58 2HB ALA 58 8.756 9.586 -0.739 470 HB3 ALA 58 3HB ALA 58 8.454 10.935 -1.832 471 HA PRO 59 HA PRO 59 6.792 10.755 4.107 472 HB2 PRO 59 2HB PRO 59 4.277 9.753 2.900 473 HB3 PRO 59 1HB PRO 59 4.506 10.880 4.243 474 HG2 PRO 59 2HG PRO 59 3.685 11.772 1.890 475 HG3 PRO 59 1HG PRO 59 4.879 12.683 2.840 476 HD2 PRO 59 2HD PRO 59 5.314 10.895 0.476 477 HD3 PRO 59 1HD PRO 59 6.016 12.489 0.834 478 H ASN 60 H ASN 60 6.463 8.865 5.294 479 HA ASN 60 HA ASN 60 6.721 6.351 3.796 480 HB2 ASN 60 2HB ASN 60 8.238 5.477 5.537 481 HB3 ASN 60 1HB ASN 60 8.910 6.908 4.774 482 HD21 ASN 60 1HD2 ASN 60 9.630 5.807 7.306 483 HD22 ASN 60 2HD2 ASN 60 9.298 7.000 8.517 484 H GLU 61 H GLU 61 5.409 8.040 6.515 485 HA GLU 61 HA GLU 61 3.955 5.744 7.544 486 HB2 GLU 61 2HB GLU 61 4.972 7.266 9.136 487 HB3 GLU 61 1HB GLU 61 4.230 8.644 8.363 488 HG2 GLU 61 2HG GLU 61 3.089 8.225 10.410 489 HG3 GLU 61 1HG GLU 61 2.011 7.782 9.094 490 H TYR 62 H TYR 62 2.205 5.278 6.297 491 HA TYR 62 HA TYR 62 0.520 7.533 5.466 492 HB2 TYR 62 2HB TYR 62 0.930 4.879 4.088 493 HB3 TYR 62 1HB TYR 62 -0.375 5.984 3.678 494 HD1 TYR 62 1HD TYR 62 3.269 5.514 3.668 495 HD2 TYR 62 2HD TYR 62 0.034 7.945 2.377 496 HE1 TYR 62 1HE TYR 62 4.778 6.703 2.149 497 HE2 TYR 62 2HE TYR 62 1.540 9.147 0.848 498 HH TYR 62 HH TYR 62 4.770 8.049 0.256 499 H ILE 63 H ILE 63 -1.271 7.693 6.475 500 HA ILE 63 HA ILE 63 -2.388 5.290 7.738 501 HB ILE 63 HB ILE 63 -2.633 8.166 8.696 502 HG12 ILE 63 2HG1 ILE 63 -1.136 5.830 9.927 503 HG13 ILE 63 1HG1 ILE 63 -0.384 7.165 9.067 504 HG21 ILE 63 1HG2 ILE 63 -4.645 6.864 9.184 505 HG22 ILE 63 2HG2 ILE 63 -3.757 7.206 10.666 506 HG23 ILE 63 3HG2 ILE 63 -3.666 5.604 9.937 507 HD11 ILE 63 3HD1 ILE 63 -1.947 7.368 11.635 508 HD12 ILE 63 1HD1 ILE 63 -1.185 8.712 10.787 509 HD13 ILE 63 2HD1 ILE 63 -0.189 7.431 11.474 510 H ILE 64 H ILE 64 -4.087 4.638 6.699 511 HA ILE 64 HA ILE 64 -5.866 6.596 5.474 512 HB ILE 64 HB ILE 64 -5.409 3.663 4.775 513 HG12 ILE 64 2HG1 ILE 64 -5.006 4.623 2.445 514 HG13 ILE 64 1HG1 ILE 64 -5.049 6.211 3.191 515 HG21 ILE 64 1HG2 ILE 64 -7.177 3.853 3.092 516 HG22 ILE 64 2HG2 ILE 64 -7.531 5.487 3.653 517 HG23 ILE 64 3HG2 ILE 64 -7.809 4.116 4.721 518 HD11 ILE 64 3HD1 ILE 64 -3.099 5.649 4.513 519 HD12 ILE 64 1HD1 ILE 64 -2.785 5.472 2.788 520 HD13 ILE 64 2HD1 ILE 64 -3.068 4.046 3.781 521 H THR 65 H THR 65 -7.882 6.677 6.181 522 HA THR 65 HA THR 65 -8.775 4.653 8.089 523 HB THR 65 HB THR 65 -8.931 7.631 8.515 524 HG1 THR 65 1HG THR 65 -7.019 5.752 9.071 525 HG21 THR 65 3HG2 THR 65 -10.744 6.399 9.596 526 HG22 THR 65 1HG2 THR 65 -9.612 6.999 10.805 527 HG23 THR 65 2HG2 THR 65 -9.584 5.297 10.336 528 H LEU 66 H LEU 66 -10.859 4.152 7.812 529 HA LEU 66 HA LEU 66 -12.637 6.004 6.382 530 HB2 LEU 66 2HB LEU 66 -12.536 3.002 6.027 531 HB3 LEU 66 1HB LEU 66 -13.857 3.996 5.472 532 HG LEU 66 HG LEU 66 -12.069 5.213 4.098 533 HD11 LEU 66 1HD1 LEU 66 -10.115 4.267 5.087 534 HD12 LEU 66 2HD1 LEU 66 -10.194 3.862 3.374 535 HD13 LEU 66 3HD1 LEU 66 -10.600 2.642 4.594 536 HD21 LEU 66 3HD2 LEU 66 -13.027 2.446 3.454 537 HD22 LEU 66 1HD2 LEU 66 -12.319 3.562 2.274 538 HD23 LEU 66 2HD2 LEU 66 -13.817 3.982 3.102 539 H GLY 67 H GLY 67 -14.997 5.021 6.686 540 HA2 GLY 67 2HA GLY 67 -15.562 5.074 9.485 541 HA3 GLY 67 1HA GLY 67 -16.722 4.730 8.201 542 H VAL 68 H VAL 68 -16.610 3.324 10.671 543 HA VAL 68 HA VAL 68 -15.056 0.971 10.659 544 HB VAL 68 HB VAL 68 -17.779 1.294 11.864 545 HG11 VAL 68 1HG1 VAL 68 -17.009 -0.393 13.502 546 HG12 VAL 68 2HG1 VAL 68 -15.494 -0.540 12.615 547 HG13 VAL 68 3HG1 VAL 68 -17.007 -1.015 11.853 548 HG21 VAL 68 3HG2 VAL 68 -15.098 1.990 13.072 549 HG22 VAL 68 1HG2 VAL 68 -16.635 2.008 13.938 550 HG23 VAL 68 2HG2 VAL 68 -16.363 3.128 12.605 551 H HIS 69 H HIS 69 -18.445 1.282 9.733 552 HA HIS 69 HA HIS 69 -18.780 -1.345 8.830 553 HB2 HIS 69 2HB HIS 69 -20.678 0.154 9.246 554 HB3 HIS 69 1HB HIS 69 -20.168 1.193 7.926 555 HD1 HIS 69 1HD HIS 69 -21.106 0.621 5.596 556 HD2 HIS 69 2HD HIS 69 -21.619 -2.438 8.377 557 HE1 HIS 69 1HE HIS 69 -22.616 -1.053 4.518 558 H ASP 70 H ASP 70 -17.769 1.545 7.165 559 HA ASP 70 HA ASP 70 -17.861 0.568 4.523 560 HB2 ASP 70 2HB ASP 70 -17.610 3.002 5.596 561 HB3 ASP 70 1HB ASP 70 -15.908 2.678 5.321 562 H PHE 71 H PHE 71 -15.257 0.787 6.935 563 HA PHE 71 HA PHE 71 -13.244 -0.236 5.269 564 HB2 PHE 71 2HB PHE 71 -12.703 1.129 7.162 565 HB3 PHE 71 1HB PHE 71 -13.465 -0.004 8.273 566 HD1 PHE 71 1HD PHE 71 -10.809 0.166 5.715 567 HD2 PHE 71 2HD PHE 71 -12.156 -1.520 9.349 568 HE1 PHE 71 1HE PHE 71 -8.639 -0.998 5.957 569 HE2 PHE 71 2HE PHE 71 -9.989 -2.691 9.633 570 HZ PHE 71 HZ PHE 71 -8.231 -2.421 7.923 571 H GLU 72 H GLU 72 -15.488 -1.751 7.573 572 HA GLU 72 HA GLU 72 -14.294 -4.280 7.479 573 HB2 GLU 72 2HB GLU 72 -17.126 -3.494 8.085 574 HB3 GLU 72 1HB GLU 72 -16.489 -5.117 8.273 575 HG2 GLU 72 2HG GLU 72 -14.780 -4.113 9.846 576 HG3 GLU 72 1HG GLU 72 -15.759 -2.642 9.796 577 H LYS 73 H LYS 73 -16.511 -2.673 5.319 578 HA LYS 73 HA LYS 73 -17.147 -5.115 3.963 579 HB2 LYS 73 2HB LYS 73 -17.508 -2.369 2.768 580 HB3 LYS 73 1HB LYS 73 -18.348 -3.860 2.390 581 HG2 LYS 73 2HG LYS 73 -18.666 -2.172 4.856 582 HG3 LYS 73 1HG LYS 73 -19.824 -2.373 3.557 583 HD2 LYS 73 2HD LYS 73 -18.940 -4.575 5.438 584 HD3 LYS 73 1HD LYS 73 -20.369 -3.593 5.681 585 HE2 LYS 73 2HE LYS 73 -21.234 -5.520 4.733 586 HE3 LYS 73 1HE LYS 73 -21.069 -4.460 3.342 587 HZ1 LYS 73 3HZ LYS 73 -19.110 -6.539 4.123 588 HZ2 LYS 73 1HZ LYS 73 -19.063 -5.659 2.689 589 HZ3 LYS 73 2HZ LYS 73 -20.301 -6.770 2.980 590 H LEU 74 H LEU 74 -14.665 -2.717 3.783 591 HA LEU 74 HA LEU 74 -13.644 -3.481 1.239 592 HB2 LEU 74 2HB LEU 74 -12.173 -2.319 3.601 593 HB3 LEU 74 1HB LEU 74 -11.507 -2.490 1.996 594 HG LEU 74 HG LEU 74 -13.752 -0.659 2.829 595 HD11 LEU 74 1HD1 LEU 74 -10.925 -0.163 1.937 596 HD12 LEU 74 2HD1 LEU 74 -11.577 0.087 3.558 597 HD13 LEU 74 3HD1 LEU 74 -12.135 1.083 2.210 598 HD21 LEU 74 3HD2 LEU 74 -13.641 0.192 0.522 599 HD22 LEU 74 1HD2 LEU 74 -14.138 -1.500 0.557 600 HD23 LEU 74 2HD2 LEU 74 -12.487 -1.075 0.114 601 H GLY 75 H GLY 75 -13.107 -4.606 4.526 602 HA2 GLY 75 2HA GLY 75 -12.769 -7.212 4.082 603 HA3 GLY 75 1HA GLY 75 -11.184 -6.566 3.658 604 H ALA 76 H ALA 76 -11.649 -8.335 5.776 605 HA ALA 76 HA ALA 76 -11.698 -6.736 8.192 606 HB1 ALA 76 1HB ALA 76 -12.935 -8.843 8.102 607 HB2 ALA 76 2HB ALA 76 -11.702 -8.866 9.362 608 HB3 ALA 76 3HB ALA 76 -11.427 -9.715 7.840 609 H ASP 77 H ASP 77 -9.377 -7.665 6.022 610 HA ASP 77 HA ASP 77 -7.262 -7.826 8.068 611 HB2 ASP 77 2HB ASP 77 -7.194 -8.627 5.163 612 HB3 ASP 77 1HB ASP 77 -5.786 -8.586 6.210 613 HA PRO 78 HA PRO 78 -6.375 -3.661 6.550 614 HB2 PRO 78 2HB PRO 78 -4.719 -3.550 8.979 615 HB3 PRO 78 1HB PRO 78 -6.039 -2.482 8.498 616 HG2 PRO 78 2HG PRO 78 -6.282 -4.215 10.544 617 HG3 PRO 78 1HG PRO 78 -7.649 -3.816 9.491 618 HD2 PRO 78 2HD PRO 78 -5.882 -6.231 9.467 619 HD3 PRO 78 1HD PRO 78 -7.644 -6.117 9.249 620 H GLU 79 H GLU 79 -4.288 -6.085 7.969 621 HA GLU 79 HA GLU 79 -1.854 -5.030 6.990 622 HB2 GLU 79 2HB GLU 79 -0.856 -7.187 7.697 623 HB3 GLU 79 1HB GLU 79 -1.779 -6.370 8.946 624 HG2 GLU 79 2HG GLU 79 -3.660 -7.878 8.537 625 HG3 GLU 79 1HG GLU 79 -2.716 -8.697 7.295 626 H LEU 80 H LEU 80 -4.125 -7.293 5.610 627 HA LEU 80 HA LEU 80 -2.475 -8.317 3.541 628 HB2 LEU 80 2HB LEU 80 -4.798 -9.128 4.279 629 HB3 LEU 80 1HB LEU 80 -5.463 -7.769 3.414 630 HG LEU 80 HG LEU 80 -3.938 -10.056 2.126 631 HD11 LEU 80 1HD1 LEU 80 -6.899 -9.541 2.297 632 HD12 LEU 80 2HD1 LEU 80 -6.009 -10.819 3.118 633 HD13 LEU 80 3HD1 LEU 80 -6.127 -10.819 1.356 634 HD21 LEU 80 3HD2 LEU 80 -5.645 -7.888 0.877 635 HD22 LEU 80 1HD2 LEU 80 -4.878 -9.227 0.021 636 HD23 LEU 80 2HD2 LEU 80 -3.886 -7.984 0.784 637 H LYS 81 H LYS 81 -4.557 -5.548 3.892 638 HA LYS 81 HA LYS 81 -4.179 -4.496 1.286 639 HB2 LYS 81 2HB LYS 81 -5.054 -3.070 3.805 640 HB3 LYS 81 1HB LYS 81 -5.310 -2.519 2.151 641 HG2 LYS 81 2HG LYS 81 -6.736 -4.466 1.731 642 HG3 LYS 81 1HG LYS 81 -6.485 -4.998 3.390 643 HD2 LYS 81 2HD LYS 81 -7.506 -2.900 4.184 644 HD3 LYS 81 1HD LYS 81 -7.823 -2.447 2.505 645 HE2 LYS 81 2HE LYS 81 -8.938 -4.830 3.989 646 HE3 LYS 81 1HE LYS 81 -9.824 -3.400 3.472 647 HZ1 LYS 81 3HZ LYS 81 -10.260 -5.144 1.910 648 HZ2 LYS 81 1HZ LYS 81 -8.631 -5.495 1.742 649 HZ3 LYS 81 2HZ LYS 81 -9.239 -4.060 1.131 650 H SER 82 H SER 82 -2.667 -3.952 4.450 651 HA SER 82 HA SER 82 -1.004 -1.863 3.772 652 HB2 SER 82 2HB SER 82 -0.498 -4.116 5.719 653 HB3 SER 82 1HB SER 82 0.434 -2.625 5.648 654 HG SER 82 HG SER 82 -1.237 -1.492 6.324 655 H THR 83 H THR 83 -0.390 -5.347 3.548 656 HA THR 83 HA THR 83 2.217 -5.245 2.632 657 HB THR 83 HB THR 83 0.062 -7.258 1.945 658 HG1 THR 83 1HG THR 83 0.180 -7.200 4.155 659 HG21 THR 83 3HG2 THR 83 1.934 -8.847 1.735 660 HG22 THR 83 1HG2 THR 83 3.074 -7.540 2.068 661 HG23 THR 83 2HG2 THR 83 2.106 -7.507 0.594 662 H GLY 84 H GLY 84 -0.831 -5.325 0.791 663 HA2 GLY 84 2HA GLY 84 0.328 -5.338 -1.776 664 HA3 GLY 84 1HA GLY 84 -1.326 -4.891 -1.388 665 H PHE 85 H PHE 85 -1.185 -2.676 0.028 666 HA PHE 85 HA PHE 85 -0.658 -0.779 -1.972 667 HB2 PHE 85 2HB PHE 85 -1.632 -0.551 0.846 668 HB3 PHE 85 1HB PHE 85 -1.275 0.885 -0.106 669 HD1 PHE 85 2HD PHE 85 -3.374 -2.184 -0.026 670 HD2 PHE 85 1HD PHE 85 -2.783 1.685 -1.670 671 HE1 PHE 85 2HE PHE 85 -5.601 -2.291 -1.060 672 HE2 PHE 85 1HE PHE 85 -4.991 1.605 -2.702 673 HZ PHE 85 HZ PHE 85 -6.425 -0.393 -2.404 674 H ALA 86 H ALA 86 1.152 -1.627 0.968 675 HA ALA 86 HA ALA 86 2.817 0.667 0.870 676 HB1 ALA 86 1HB ALA 86 3.499 -2.018 2.070 677 HB2 ALA 86 2HB ALA 86 2.640 -0.721 2.901 678 HB3 ALA 86 3HB ALA 86 4.302 -0.484 2.401 679 H ARG 87 H ARG 87 3.170 -2.606 -0.402 680 HA ARG 87 HA ARG 87 5.762 -2.181 -1.419 681 HB2 ARG 87 2HB ARG 87 4.809 -4.425 -1.041 682 HB3 ARG 87 1HB ARG 87 3.660 -4.152 -2.341 683 HG2 ARG 87 2HG ARG 87 5.505 -5.550 -3.066 684 HG3 ARG 87 1HG ARG 87 5.495 -4.015 -3.941 685 HD2 ARG 87 2HD ARG 87 7.211 -3.146 -2.434 686 HD3 ARG 87 1HD ARG 87 7.209 -4.680 -1.563 687 HE ARG 87 HE ARG 87 7.690 -5.075 -4.304 688 HH11 ARG 87 1HH1 ARG 87 9.305 -3.949 -1.380 689 HH12 ARG 87 2HH1 ARG 87 10.882 -4.228 -1.956 690 HH21 ARG 87 1HH2 ARG 87 9.861 -5.456 -5.129 691 HH22 ARG 87 2HH2 ARG 87 11.199 -5.118 -4.141 692 H ASP 88 H ASP 88 2.589 -1.835 -2.754 693 HA ASP 88 HA ASP 88 3.273 -1.235 -5.421 694 HB2 ASP 88 2HB ASP 88 1.008 -1.871 -4.810 695 HB3 ASP 88 1HB ASP 88 0.847 -0.440 -3.803 696 H LEU 89 H LEU 89 2.454 0.936 -2.735 697 HA LEU 89 HA LEU 89 2.962 3.302 -4.185 698 HB2 LEU 89 2HB LEU 89 1.500 3.153 -2.208 699 HB3 LEU 89 1HB LEU 89 2.902 2.880 -1.201 700 HG LEU 89 HG LEU 89 3.703 5.155 -1.710 701 HD11 LEU 89 1HD1 LEU 89 2.726 5.431 -3.936 702 HD12 LEU 89 2HD1 LEU 89 2.213 6.733 -2.861 703 HD13 LEU 89 3HD1 LEU 89 1.108 5.412 -3.235 704 HD21 LEU 89 3HD2 LEU 89 0.858 5.016 -0.731 705 HD22 LEU 89 1HD2 LEU 89 1.980 6.347 -0.453 706 HD23 LEU 89 2HD2 LEU 89 2.307 4.760 0.241 707 H ALA 90 H ALA 90 5.033 1.226 -2.253 708 HA ALA 90 HA ALA 90 7.237 2.989 -2.067 709 HB1 ALA 90 1HB ALA 90 7.069 0.964 -0.682 710 HB2 ALA 90 2HB ALA 90 8.580 0.998 -1.588 711 HB3 ALA 90 3HB ALA 90 7.257 -0.034 -2.122 712 H ASP 91 H ASP 91 6.131 0.767 -4.484 713 HA ASP 91 HA ASP 91 8.476 0.891 -6.102 714 HB2 ASP 91 2HB ASP 91 6.696 -0.931 -6.188 715 HB3 ASP 91 1HB ASP 91 5.681 0.226 -7.041 716 H TYR 92 H TYR 92 5.387 2.555 -6.026 717 HA TYR 92 HA TYR 92 5.627 4.284 -8.208 718 HB2 TYR 92 2HB TYR 92 4.215 4.517 -5.598 719 HB3 TYR 92 1HB TYR 92 4.347 5.933 -6.623 720 HD1 TYR 92 1HD TYR 92 3.294 5.963 -8.803 721 HD2 TYR 92 2HD TYR 92 2.742 2.731 -6.136 722 HE1 TYR 92 1HE TYR 92 1.280 5.303 -10.038 723 HE2 TYR 92 2HE TYR 92 0.752 2.030 -7.365 724 HH TYR 92 HH TYR 92 -0.865 2.866 -8.816 725 H ILE 93 H ILE 93 6.647 4.928 -4.839 726 HA ILE 93 HA ILE 93 7.609 7.479 -5.495 727 HB ILE 93 HB ILE 93 8.852 7.513 -3.360 728 HG12 ILE 93 2HG1 ILE 93 7.944 4.639 -3.041 729 HG13 ILE 93 1HG1 ILE 93 9.593 5.141 -3.368 730 HG21 ILE 93 1HG2 ILE 93 6.071 6.376 -3.135 731 HG22 ILE 93 2HG2 ILE 93 6.491 8.070 -3.357 732 HG23 ILE 93 3HG2 ILE 93 6.926 7.242 -1.860 733 HD11 ILE 93 3HD1 ILE 93 9.676 6.309 -1.224 734 HD12 ILE 93 1HD1 ILE 93 9.289 4.600 -1.020 735 HD13 ILE 93 2HD1 ILE 93 8.016 5.817 -0.894 736 H GLN 94 H GLN 94 9.196 4.379 -5.534 737 HA GLN 94 HA GLN 94 11.796 5.327 -6.123 738 HB2 GLN 94 2HB GLN 94 10.419 2.728 -6.667 739 HB3 GLN 94 1HB GLN 94 12.111 3.015 -7.054 740 HG2 GLN 94 2HG GLN 94 12.603 3.383 -4.705 741 HG3 GLN 94 1HG GLN 94 10.890 3.291 -4.305 742 HE21 GLN 94 1HE2 GLN 94 11.195 1.645 -2.891 743 HE22 GLN 94 2HE2 GLN 94 11.558 0.031 -3.365 744 H GLU 95 H GLU 95 9.029 4.435 -8.106 745 HA GLU 95 HA GLU 95 10.204 4.612 -10.579 746 HB2 GLU 95 2HB GLU 95 7.460 4.877 -9.535 747 HB3 GLU 95 1HB GLU 95 7.669 5.352 -11.192 748 HG2 GLU 95 2HG GLU 95 8.255 2.671 -9.952 749 HG3 GLU 95 1HG GLU 95 6.944 3.072 -11.062 750 H GLN 96 H GLN 96 8.654 7.030 -8.590 751 HA GLN 96 HA GLN 96 8.959 9.165 -10.485 752 HB2 GLN 96 2HB GLN 96 8.375 9.334 -7.532 753 HB3 GLN 96 1HB GLN 96 8.092 10.590 -8.729 754 HG2 GLN 96 2HG GLN 96 6.698 7.930 -8.523 755 HG3 GLN 96 1HG GLN 96 6.010 9.519 -8.197 756 HE21 GLN 96 1HE2 GLN 96 5.341 7.342 -10.099 757 HE22 GLN 96 2HE2 GLN 96 5.259 8.084 -11.636 758 H GLY 97 H GLY 97 11.015 7.664 -8.305 759 HA2 GLY 97 2HA GLY 97 13.298 8.005 -8.162 760 HA3 GLY 97 1HA GLY 97 13.093 9.564 -8.945 761 H TRP 98 H TRP 98 11.149 8.684 -6.205 762 HA TRP 98 HA TRP 98 12.501 10.783 -4.683 763 HB2 TRP 98 2HB TRP 98 9.835 9.440 -4.143 764 HB3 TRP 98 1HB TRP 98 10.508 10.807 -3.270 765 HD1 TRP 98 HD TRP 98 11.343 12.489 -5.965 766 HE1 TRP 98 1HE TRP 98 9.448 13.639 -7.283 767 HE3 TRP 98 3HE TRP 98 7.377 9.774 -4.233 768 HZ2 TRP 98 2HZ TRP 98 6.655 13.442 -7.533 769 HZ3 TRP 98 3HZ TRP 98 5.119 10.323 -5.054 770 HH2 TRP 98 HH TRP 98 4.769 12.119 -6.667 771 H GLN 99 H GLN 99 12.424 10.267 -2.232 772 HA GLN 99 HA GLN 99 12.840 7.447 -1.659 773 HB2 GLN 99 2HB GLN 99 14.967 7.935 -0.482 774 HB3 GLN 99 1HB GLN 99 15.080 8.164 -2.222 775 HG2 GLN 99 2HG GLN 99 14.943 10.546 -1.974 776 HG3 GLN 99 1HG GLN 99 14.627 10.386 -0.251 777 HE21 GLN 99 1HE2 GLN 99 16.376 11.680 0.161 778 HE22 GLN 99 2HE2 GLN 99 18.000 11.118 0.059 779 H THR 100 H THR 100 13.312 7.270 0.796 780 HA THR 100 HA THR 100 12.364 9.396 2.413 781 HB THR 100 HB THR 100 10.223 8.316 1.594 782 HG1 THR 100 1HG THR 100 9.675 9.055 3.391 783 HG21 THR 100 3HG2 THR 100 9.624 6.067 2.414 784 HG22 THR 100 1HG2 THR 100 11.241 5.892 3.100 785 HG23 THR 100 2HG2 THR 100 11.031 6.002 1.354 786 H TYR 101 H TYR 101 12.261 8.243 4.782 787 HA TYR 101 HA TYR 101 14.712 6.609 4.857 788 HB2 TYR 101 2HB TYR 101 13.350 8.191 7.061 789 HB3 TYR 101 1HB TYR 101 14.790 7.205 7.283 790 HD1 TYR 101 1HD TYR 101 16.904 7.879 6.126 791 HD2 TYR 101 2HD TYR 101 13.491 10.411 6.245 792 HE1 TYR 101 1HE TYR 101 18.319 9.797 5.564 793 HE2 TYR 101 2HE TYR 101 14.898 12.346 5.678 794 HH TYR 101 HH TYR 101 17.209 13.024 5.809 795 H GLY 102 H GLY 102 14.337 4.514 5.055 796 HA2 GLY 102 2HA GLY 102 13.453 2.708 6.368 797 HA3 GLY 102 1HA GLY 102 11.998 3.679 6.626 798 H ASP 103 H ASP 103 10.688 2.039 5.755 799 HA ASP 103 HA ASP 103 10.591 2.364 2.895 800 HB2 ASP 103 2HB ASP 103 9.875 0.055 2.492 801 HB3 ASP 103 1HB ASP 103 11.434 0.042 3.284 802 H VAL 104 H VAL 104 8.241 1.621 2.201 803 HA VAL 104 HA VAL 104 6.651 3.560 3.575 804 HB VAL 104 HB VAL 104 5.907 1.726 1.273 805 HG11 VAL 104 1HG1 VAL 104 3.915 2.485 2.475 806 HG12 VAL 104 2HG1 VAL 104 4.026 3.246 0.887 807 HG13 VAL 104 3HG1 VAL 104 4.461 4.156 2.333 808 HG21 VAL 104 3HG2 VAL 104 6.754 4.622 1.311 809 HG22 VAL 104 1HG2 VAL 104 6.209 3.731 -0.109 810 HG23 VAL 104 2HG2 VAL 104 7.702 3.262 0.705 811 H VAL 105 H VAL 105 5.423 3.226 5.249 812 HA VAL 105 HA VAL 105 4.313 0.568 5.622 813 HB VAL 105 HB VAL 105 4.216 1.083 8.094 814 HG11 VAL 105 1HG1 VAL 105 5.988 -0.311 7.219 815 HG12 VAL 105 2HG1 VAL 105 6.603 0.698 8.529 816 HG13 VAL 105 3HG1 VAL 105 6.958 1.115 6.853 817 HG21 VAL 105 3HG2 VAL 105 5.644 2.871 9.002 818 HG22 VAL 105 1HG2 VAL 105 4.359 3.536 7.991 819 HG23 VAL 105 2HG2 VAL 105 6.002 3.418 7.363 820 H VAL 106 H VAL 106 2.219 0.473 5.429 821 HA VAL 106 HA VAL 106 0.767 2.981 5.692 822 HB VAL 106 HB VAL 106 1.024 2.325 3.316 823 HG11 VAL 106 1HG1 VAL 106 -0.660 -0.020 4.010 824 HG12 VAL 106 2HG1 VAL 106 1.059 -0.093 3.689 825 HG13 VAL 106 3HG1 VAL 106 -0.063 0.383 2.394 826 HG21 VAL 106 3HG2 VAL 106 -0.905 3.617 3.965 827 HG22 VAL 106 1HG2 VAL 106 -1.797 2.136 4.317 828 HG23 VAL 106 2HG2 VAL 106 -1.310 2.498 2.659 829 H ARG 107 H ARG 107 -0.888 2.994 6.943 830 HA ARG 107 HA ARG 107 -1.823 0.458 8.065 831 HB2 ARG 107 2HB ARG 107 -0.640 1.622 9.722 832 HB3 ARG 107 1HB ARG 107 -1.402 3.156 9.308 833 HG2 ARG 107 2HG ARG 107 -3.507 2.358 10.235 834 HG3 ARG 107 1HG ARG 107 -2.770 0.791 10.578 835 HD2 ARG 107 2HD ARG 107 -1.287 1.754 12.175 836 HD3 ARG 107 1HD ARG 107 -1.749 3.388 11.696 837 HE ARG 107 HE ARG 107 -3.987 2.864 12.569 838 HH11 ARG 107 1HH1 ARG 107 -1.203 1.065 13.881 839 HH12 ARG 107 2HH1 ARG 107 -1.946 0.766 15.372 840 HH21 ARG 107 1HH2 ARG 107 -4.951 2.494 14.551 841 HH22 ARG 107 2HH2 ARG 107 -4.171 1.599 15.783 842 H PHE 108 H PHE 108 -3.922 0.134 8.172 843 HA PHE 108 HA PHE 108 -5.737 2.181 7.111 844 HB2 PHE 108 2HB PHE 108 -5.834 -0.829 6.720 845 HB3 PHE 108 1HB PHE 108 -7.103 0.289 6.256 846 HD1 PHE 108 2HD PHE 108 -3.603 -0.695 5.560 847 HD2 PHE 108 1HD PHE 108 -7.047 1.399 4.200 848 HE1 PHE 108 2HE PHE 108 -2.584 -0.453 3.333 849 HE2 PHE 108 1HE PHE 108 -6.029 1.644 1.978 850 HZ PHE 108 HZ PHE 108 -3.794 0.716 1.545 851 H GLU 109 H GLU 109 -7.428 2.588 8.466 852 HA GLU 109 HA GLU 109 -8.209 0.560 10.361 853 HB2 GLU 109 2HB GLU 109 -8.027 2.032 12.303 854 HB3 GLU 109 1HB GLU 109 -6.453 1.709 11.588 855 HG2 GLU 109 2HG GLU 109 -6.548 3.919 10.494 856 HG3 GLU 109 1HG GLU 109 -8.089 4.213 11.296 857 H GLN 110 H GLN 110 -9.982 1.498 11.765 858 HA GLN 110 HA GLN 110 -11.815 2.929 10.021 859 HB2 GLN 110 2HB GLN 110 -13.594 1.914 11.241 860 HB3 GLN 110 1HB GLN 110 -12.588 0.660 10.509 861 HG2 GLN 110 2HG GLN 110 -12.380 1.481 13.417 862 HG3 GLN 110 1HG GLN 110 -13.533 0.277 12.877 863 HE21 GLN 110 1HE2 GLN 110 -12.597 -1.266 14.194 864 HE22 GLN 110 2HE2 GLN 110 -11.088 -2.016 13.809 865 H SER 111 H SER 111 -13.149 4.469 10.908 866 HA SER 111 HA SER 111 -12.714 5.291 13.661 867 HB2 SER 111 2HB SER 111 -11.248 6.674 12.210 868 HB3 SER 111 1HB SER 111 -12.644 7.112 11.233 869 HG SER 111 HG SER 111 -11.872 7.905 13.760 870 H SER 112 H SER 112 -14.643 5.708 14.562 871 HA SER 112 HA SER 112 -17.026 5.517 12.964 872 HB2 SER 112 2HB SER 112 -16.845 4.470 15.238 873 HB3 SER 112 1HB SER 112 -16.735 6.082 15.933 874 HG SER 112 HG SER 112 -18.803 5.875 16.042 875 H ASN 113 H ASN 113 -14.979 7.941 14.266 876 HA ASN 113 HA ASN 113 -16.852 10.103 14.277 877 HB2 ASN 113 2HB ASN 113 -14.711 10.087 15.587 878 HB3 ASN 113 1HB ASN 113 -13.830 10.238 14.073 879 HD21 ASN 113 1HD2 ASN 113 -12.922 12.200 14.583 880 HD22 ASN 113 2HD2 ASN 113 -13.824 13.656 14.699 881 H LEU 114 H LEU 114 -14.775 8.624 11.969 882 HA LEU 114 HA LEU 114 -15.140 10.679 9.985 883 HB2 LEU 114 2HB LEU 114 -13.032 9.314 10.259 884 HB3 LEU 114 1HB LEU 114 -13.933 7.910 9.747 885 HG LEU 114 HG LEU 114 -13.652 10.288 7.915 886 HD11 LEU 114 1HD1 LEU 114 -11.746 7.980 8.256 887 HD12 LEU 114 2HD1 LEU 114 -11.406 9.676 8.632 888 HD13 LEU 114 3HD1 LEU 114 -11.694 9.179 6.964 889 HD21 LEU 114 3HD2 LEU 114 -15.249 8.536 7.330 890 HD22 LEU 114 1HD2 LEU 114 -13.971 7.330 7.460 891 HD23 LEU 114 2HD2 LEU 114 -13.886 8.574 6.212 892 H HIS 115 H HIS 115 -16.395 10.470 8.141 893 HA HIS 115 HA HIS 115 -18.853 9.088 8.750 894 HB2 HIS 115 2HB HIS 115 -18.188 11.079 6.593 895 HB3 HIS 115 1HB HIS 115 -19.806 10.453 6.918 896 HD1 HIS 115 1HD HIS 115 -21.039 11.472 8.978 897 HD2 HIS 115 2HD HIS 115 -17.193 12.917 8.401 898 HE1 HIS 115 1HE HIS 115 -20.778 13.434 10.546 899 H THR 116 H THR 116 -19.894 7.667 7.439 900 HA THR 116 HA THR 116 -18.302 5.833 6.009 901 HB THR 116 HB THR 116 -21.319 6.135 5.954 902 HG1 THR 116 1HG THR 116 -20.079 5.930 8.136 903 HG21 THR 116 3HG2 THR 116 -21.263 3.709 5.609 904 HG22 THR 116 1HG2 THR 116 -19.505 3.746 5.620 905 HG23 THR 116 2HG2 THR 116 -20.391 4.552 4.322 906 H GLY 117 H GLY 117 -17.680 5.900 3.884 907 HA2 GLY 117 2HA GLY 117 -18.201 6.289 1.567 908 HA3 GLY 117 1HA GLY 117 -19.155 7.688 2.066 909 H GLN 118 H GLN 118 -17.029 8.285 4.081 910 HA GLN 118 HA GLN 118 -15.262 9.745 2.289 911 HB2 GLN 118 2HB GLN 118 -15.905 9.981 5.231 912 HB3 GLN 118 1HB GLN 118 -14.562 10.846 4.526 913 HG2 GLN 118 2HG GLN 118 -16.126 12.035 3.050 914 HG3 GLN 118 1HG GLN 118 -17.462 11.141 3.772 915 HE21 GLN 118 1HE2 GLN 118 -18.417 13.064 4.440 916 HE22 GLN 118 2HE2 GLN 118 -17.849 13.975 5.779 917 H PHE 119 H PHE 119 -12.992 9.588 2.591 918 HA PHE 119 HA PHE 119 -12.041 7.682 4.497 919 HB2 PHE 119 2HB PHE 119 -10.789 6.350 2.960 920 HB3 PHE 119 1HB PHE 119 -12.459 6.329 2.401 921 HD1 PHE 119 2HD PHE 119 -13.018 7.736 0.357 922 HD2 PHE 119 1HD PHE 119 -9.039 6.993 1.661 923 HE1 PHE 119 2HE PHE 119 -12.170 8.315 -1.879 924 HE2 PHE 119 1HE PHE 119 -8.187 7.565 -0.531 925 HZ PHE 119 HZ PHE 119 -9.756 8.224 -2.338 926 H ARG 120 H ARG 120 -9.892 8.092 4.967 927 HA ARG 120 HA ARG 120 -8.865 10.473 3.663 928 HB2 ARG 120 2HB ARG 120 -8.861 9.921 6.626 929 HB3 ARG 120 1HB ARG 120 -7.877 11.160 5.875 930 HG2 ARG 120 2HG ARG 120 -9.942 12.259 5.071 931 HG3 ARG 120 1HG ARG 120 -10.886 11.047 5.941 932 HD2 ARG 120 2HD ARG 120 -10.654 13.094 7.252 933 HD3 ARG 120 1HD ARG 120 -9.851 11.739 8.043 934 HE ARG 120 HE ARG 120 -8.280 13.498 6.334 935 HH11 ARG 120 1HH1 ARG 120 -9.014 12.392 9.619 936 HH12 ARG 120 2HH1 ARG 120 -7.678 13.137 10.352 937 HH21 ARG 120 1HH2 ARG 120 -6.431 14.515 7.305 938 HH22 ARG 120 2HH2 ARG 120 -6.146 14.382 8.991 939 H ALA 121 H ALA 121 -6.699 10.570 3.398 940 HA ALA 121 HA ALA 121 -5.094 8.325 4.314 941 HB1 ALA 121 1HB ALA 121 -5.218 9.409 1.490 942 HB2 ALA 121 2HB ALA 121 -5.805 7.835 2.006 943 HB3 ALA 121 3HB ALA 121 -4.076 8.199 2.075 944 H ARG 122 H ARG 122 -3.391 9.206 5.318 945 HA ARG 122 HA ARG 122 -2.434 11.765 4.272 946 HB2 ARG 122 2HB ARG 122 -3.720 12.209 6.316 947 HB3 ARG 122 1HB ARG 122 -2.691 11.100 7.210 948 HG2 ARG 122 2HG ARG 122 -2.001 13.380 7.654 949 HG3 ARG 122 1HG ARG 122 -0.753 12.556 6.725 950 HD2 ARG 122 2HD ARG 122 -1.586 13.580 4.677 951 HD3 ARG 122 1HD ARG 122 -2.838 14.410 5.600 952 HE ARG 122 HE ARG 122 -0.799 15.377 6.823 953 HH11 ARG 122 1HH1 ARG 122 -0.750 14.496 3.396 954 HH12 ARG 122 2HH1 ARG 122 0.059 15.899 2.887 955 HH21 ARG 122 1HH2 ARG 122 0.461 17.262 6.146 956 HH22 ARG 122 2HH2 ARG 122 0.840 17.473 4.501 957 H GLY 123 H GLY 123 -0.367 11.864 3.869 958 HA2 GLY 123 2HA GLY 123 1.349 9.697 4.813 959 HA3 GLY 123 1HA GLY 123 1.654 10.731 3.419 960 H THR 124 H THR 124 2.781 10.073 6.305 961 HA THR 124 HA THR 124 3.631 12.803 6.877 962 HB THR 124 HB THR 124 3.233 10.447 8.732 963 HG1 THR 124 1HG THR 124 1.737 12.830 8.805 964 HG21 THR 124 3HG2 THR 124 4.974 11.967 9.475 965 HG22 THR 124 1HG2 THR 124 3.558 12.090 10.530 966 HG23 THR 124 2HG2 THR 124 3.869 13.333 9.301 967 H VAL 125 H VAL 125 5.881 13.012 7.278 968 HA VAL 125 HA VAL 125 7.506 10.695 6.567 969 HB VAL 125 HB VAL 125 8.382 13.564 7.073 970 HG11 VAL 125 1HG1 VAL 125 9.869 11.231 5.875 971 HG12 VAL 125 2HG1 VAL 125 10.154 11.946 7.460 972 HG13 VAL 125 3HG1 VAL 125 10.482 12.879 5.999 973 HG21 VAL 125 3HG2 VAL 125 8.092 12.185 4.405 974 HG22 VAL 125 1HG2 VAL 125 8.584 13.845 4.683 975 HG23 VAL 125 2HG2 VAL 125 6.925 13.348 5.045 976 H ASN 126 H ASN 126 7.802 9.452 8.310 977 HA ASN 126 HA ASN 126 8.396 10.825 10.834 978 HB2 ASN 126 2HB ASN 126 6.327 9.491 10.965 979 HB3 ASN 126 1HB ASN 126 7.223 8.056 10.472 980 HD21 ASN 126 1HD2 ASN 126 6.756 6.977 12.385 981 HD22 ASN 126 2HD2 ASN 126 7.468 7.402 13.897 982 HA PRO 127 HA PRO 127 12.210 8.564 10.135 983 HB2 PRO 127 2HB PRO 127 13.900 10.506 10.929 984 HB3 PRO 127 1HB PRO 127 13.178 10.509 9.319 985 HG2 PRO 127 2HG PRO 127 12.558 12.208 11.663 986 HG3 PRO 127 1HG PRO 127 12.356 12.557 9.943 987 HD2 PRO 127 2HD PRO 127 10.352 11.713 11.789 988 HD3 PRO 127 1HD PRO 127 10.178 11.927 10.035 989 H ASP 128 H ASP 128 10.522 9.663 12.760 990 HA ASP 128 HA ASP 128 12.529 9.083 14.808 991 HB2 ASP 128 2HB ASP 128 9.666 10.018 15.138 992 HB3 ASP 128 1HB ASP 128 10.906 9.965 16.381 993 H VAL 129 H VAL 129 11.478 7.011 13.110 994 HA VAL 129 HA VAL 129 9.907 5.522 15.045 995 HB VAL 129 HB VAL 129 8.685 5.663 12.937 996 HG11 VAL 129 1HG1 VAL 129 10.528 6.055 11.398 997 HG12 VAL 129 2HG1 VAL 129 9.538 4.693 10.857 998 HG13 VAL 129 3HG1 VAL 129 11.089 4.400 11.642 999 HG21 VAL 129 3HG2 VAL 129 8.401 3.226 12.436 1000 HG22 VAL 129 1HG2 VAL 129 8.424 3.572 14.164 1001 HG23 VAL 129 2HG2 VAL 129 9.838 2.888 13.398 1002 H GLU 130 H GLU 130 10.850 4.125 16.093 1003 HA GLU 130 HA GLU 130 13.168 2.752 15.025 1004 HB2 GLU 130 2HB GLU 130 13.321 1.722 17.313 1005 HB3 GLU 130 1HB GLU 130 13.496 3.464 17.337 1006 HG2 GLU 130 2HG GLU 130 10.920 2.039 17.993 1007 HG3 GLU 130 1HG GLU 130 12.129 2.474 19.201 1008 H THR 131 H THR 131 13.102 0.464 14.814 1009 HA THR 131 HA THR 131 11.388 -0.657 13.261 1010 HB THR 131 HB THR 131 12.470 -2.013 15.634 1011 HG1 THR 131 1HG THR 131 13.795 -1.526 13.148 1012 HG21 THR 131 3HG2 THR 131 12.034 -2.962 12.802 1013 HG22 THR 131 1HG2 THR 131 11.110 -3.458 14.220 1014 HG23 THR 131 2HG2 THR 131 12.809 -3.920 14.067 1015 H HIS 132 H HIS 132 9.269 -0.847 13.235 1016 HA HIS 132 HA HIS 132 7.712 -1.283 15.647 1017 HB2 HIS 132 2HB HIS 132 6.919 0.416 14.001 1018 HB3 HIS 132 1HB HIS 132 6.842 -0.830 12.766 1019 HD1 HIS 132 1HD HIS 132 4.787 -2.458 12.850 1020 HD2 HIS 132 2HD HIS 132 4.849 0.382 15.887 1021 HE1 HIS 132 1HE HIS 132 2.494 -2.492 13.882
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