NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
495262 | 2l6p | 17319 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 14.883 -2.033 13.319 2 HA2 GLY 1 HA2 GLY 1 17.788 -2.260 13.882 3 HA3 GLY 1 HA1 GLY 1 16.885 -3.373 12.841 4 H MET 2 HN MET 2 17.912 -2.950 10.880 5 HA MET 2 HA MET 2 16.291 -0.967 9.669 6 HB2 MET 2 HB2 MET 2 17.639 0.143 8.213 7 HB3 MET 2 HB3 MET 2 18.519 0.221 9.749 8 HG2 MET 2 HG2 MET 2 19.369 -2.119 8.546 9 HG3 MET 2 HG3 MET 2 19.221 -0.987 7.186 10 HE1 MET 2 HE1 MET 2 21.759 1.870 8.406 11 HE2 MET 2 HE2 MET 2 20.662 1.404 7.090 12 HE3 MET 2 HE3 MET 2 20.012 1.786 8.706 13 H ARG 3 HN ARG 3 15.414 -1.771 7.797 14 HA ARG 3 HA ARG 3 16.375 -4.422 6.779 15 HB2 ARG 3 HB2 ARG 3 13.550 -3.317 7.038 16 HB3 ARG 3 HB3 ARG 3 13.996 -4.883 6.346 17 HG2 ARG 3 HG2 ARG 3 14.502 -4.178 9.265 18 HG3 ARG 3 HG3 ARG 3 13.002 -4.870 8.669 19 HD2 ARG 3 HD2 ARG 3 14.391 -6.636 9.539 20 HD3 ARG 3 HD3 ARG 3 14.189 -6.843 7.796 21 HE ARG 3 HE ARG 3 16.551 -5.338 8.433 22 HH11 ARG 3 HH11 ARG 3 15.502 -8.755 8.869 23 HH12 ARG 3 HH12 ARG 3 17.052 -9.357 8.388 24 HH21 ARG 3 HH21 ARG 3 18.430 -6.257 7.477 25 HH22 ARG 3 HH22 ARG 3 18.605 -7.981 7.478 26 H ILE 4 HN ILE 4 17.589 -3.631 5.052 27 HA ILE 4 HA ILE 4 16.196 -1.731 3.209 28 HB ILE 4 HB ILE 4 19.172 -2.154 3.540 29 HG12 ILE 4 HG12 ILE 4 17.239 0.069 4.305 30 HG13 ILE 4 HG13 ILE 4 18.172 -0.940 5.391 31 HG21 ILE 4 HG21 ILE 4 17.699 -0.192 1.727 32 HG22 ILE 4 HG22 ILE 4 19.454 -0.375 1.889 33 HG23 ILE 4 HG23 ILE 4 18.515 -1.664 1.154 34 HD11 ILE 4 HD11 ILE 4 19.235 1.240 3.566 35 HD12 ILE 4 HD12 ILE 4 19.242 1.173 5.332 36 HD13 ILE 4 HD13 ILE 4 20.280 0.072 4.409 37 HA PRO 5 HA PRO 5 15.645 -5.364 0.803 38 HB2 PRO 5 HB2 PRO 5 14.711 -4.317 -1.543 39 HB3 PRO 5 HB3 PRO 5 13.789 -4.310 -0.012 40 HG2 PRO 5 HG2 PRO 5 15.497 -2.078 -1.148 41 HG3 PRO 5 HG3 PRO 5 13.798 -2.005 -0.548 42 HD2 PRO 5 HD2 PRO 5 15.867 -1.302 1.021 43 HD3 PRO 5 HD3 PRO 5 14.495 -2.233 1.687 44 H SER 6 HN SER 6 16.102 -6.364 -1.257 45 HA SER 6 HA SER 6 18.321 -5.348 -2.895 46 HB2 SER 6 HB2 SER 6 19.349 -6.832 -1.148 47 HB3 SER 6 HB3 SER 6 18.292 -8.144 -1.708 48 HG SER 6 HG SER 6 20.233 -8.392 -2.583 49 H ALA 7 HN ALA 7 15.525 -7.553 -2.310 50 HA ALA 7 HA ALA 7 15.191 -7.928 -5.221 51 HB1 ALA 7 HB1 ALA 7 14.616 -9.873 -3.812 52 HB2 ALA 7 HB2 ALA 7 13.533 -8.865 -2.826 53 HB3 ALA 7 HB3 ALA 7 13.161 -9.155 -4.532 54 H ILE 8 HN ILE 8 14.229 -6.346 -6.237 55 HA ILE 8 HA ILE 8 12.043 -4.803 -4.991 56 HB ILE 8 HB ILE 8 14.192 -3.597 -6.786 57 HG12 ILE 8 HG12 ILE 8 15.017 -3.732 -4.472 58 HG13 ILE 8 HG13 ILE 8 14.850 -2.118 -5.119 59 HG21 ILE 8 HG21 ILE 8 12.122 -2.682 -7.476 60 HG22 ILE 8 HG22 ILE 8 11.511 -2.601 -5.827 61 HG23 ILE 8 HG23 ILE 8 12.784 -1.472 -6.374 62 HD11 ILE 8 HD11 ILE 8 14.101 -1.950 -2.923 63 HD12 ILE 8 HD12 ILE 8 12.630 -1.941 -3.885 64 HD13 ILE 8 HD13 ILE 8 13.096 -3.436 -3.054 65 H GLN 9 HN GLN 9 10.310 -5.363 -6.223 66 HA GLN 9 HA GLN 9 10.509 -5.299 -9.138 67 HB2 GLN 9 HB2 GLN 9 9.790 -7.752 -7.511 68 HB3 GLN 9 HB3 GLN 9 8.939 -7.438 -9.010 69 HG2 GLN 9 HG2 GLN 9 11.075 -7.403 -10.229 70 HG3 GLN 9 HG3 GLN 9 11.926 -7.787 -8.724 71 HE21 GLN 9 HE21 GLN 9 10.864 -9.879 -7.518 72 HE22 GLN 9 HE22 GLN 9 10.722 -11.220 -8.629 73 H LEU 10 HN LEU 10 8.708 -4.108 -9.792 74 HA LEU 10 HA LEU 10 6.474 -3.835 -7.896 75 HB2 LEU 10 HB2 LEU 10 5.915 -1.887 -8.915 76 HB3 LEU 10 HB3 LEU 10 7.655 -1.829 -8.916 77 HG LEU 10 HG LEU 10 5.837 -2.434 -11.301 78 HD11 LEU 10 HD11 LEU 10 6.862 -0.241 -12.154 79 HD12 LEU 10 HD12 LEU 10 7.458 0.012 -10.508 80 HD13 LEU 10 HD13 LEU 10 5.719 -0.106 -10.828 81 HD21 LEU 10 HD21 LEU 10 8.867 -2.231 -11.171 82 HD22 LEU 10 HD22 LEU 10 7.907 -2.247 -12.671 83 HD23 LEU 10 HD23 LEU 10 7.886 -3.665 -11.640 84 H HIS 11 HN HIS 11 7.272 -5.881 -10.381 85 HA HIS 11 HA HIS 11 6.189 -7.095 -11.992 86 HB2 HIS 11 HB2 HIS 11 4.291 -7.290 -9.642 87 HB3 HIS 11 HB3 HIS 11 4.244 -8.339 -11.034 88 HD1 HIS 11 HD1 HIS 11 5.835 -10.362 -11.111 89 HD2 HIS 11 HD2 HIS 11 6.519 -7.714 -7.904 90 HE1 HIS 11 HE1 HIS 11 7.689 -11.373 -9.700 91 H LYS 12 HN LYS 12 5.817 -4.927 -13.294 92 HA LYS 12 HA LYS 12 3.467 -3.505 -12.779 93 HB2 LYS 12 HB2 LYS 12 5.511 -3.486 -14.905 94 HB3 LYS 12 HB3 LYS 12 3.914 -2.974 -15.475 95 HG2 LYS 12 HG2 LYS 12 4.000 -1.511 -13.229 96 HG3 LYS 12 HG3 LYS 12 5.736 -1.710 -13.469 97 HD2 LYS 12 HD2 LYS 12 3.826 -0.616 -15.570 98 HD3 LYS 12 HD3 LYS 12 4.692 0.365 -14.412 99 HE2 LYS 12 HE2 LYS 12 5.911 0.488 -16.398 100 HE3 LYS 12 HE3 LYS 12 6.876 -0.485 -15.278 101 HZ1 LYS 12 HZ1 LYS 12 6.240 -2.434 -16.506 102 HZ2 LYS 12 HZ2 LYS 12 6.844 -1.337 -17.542 103 HZ3 LYS 12 HZ3 LYS 12 5.216 -1.557 -17.481 104 H ALA 13 HN ALA 13 3.658 -6.497 -14.658 105 HA ALA 13 HA ALA 13 1.234 -5.986 -16.149 106 HB1 ALA 13 HB1 ALA 13 1.393 -8.249 -16.822 107 HB2 ALA 13 HB2 ALA 13 3.062 -7.687 -16.714 108 HB3 ALA 13 HB3 ALA 13 2.377 -8.706 -15.430 109 H SER 14 HN SER 14 1.925 -7.142 -12.906 110 HA SER 14 HA SER 14 -0.965 -7.781 -12.429 111 HB2 SER 14 HB2 SER 14 1.596 -8.898 -11.254 112 HB3 SER 14 HB3 SER 14 -0.036 -9.374 -10.750 113 HG SER 14 HG SER 14 -0.186 -10.610 -12.418 114 H LYS 15 HN LYS 15 1.448 -5.597 -11.742 115 HA LYS 15 HA LYS 15 1.981 -4.078 -10.255 116 HB2 LYS 15 HB2 LYS 15 -1.001 -3.720 -9.786 117 HB3 LYS 15 HB3 LYS 15 0.308 -2.560 -9.592 118 HG2 LYS 15 HG2 LYS 15 -0.330 -1.917 -11.660 119 HG3 LYS 15 HG3 LYS 15 0.733 -3.176 -12.191 120 HD2 LYS 15 HD2 LYS 15 -1.105 -4.691 -12.588 121 HD3 LYS 15 HD3 LYS 15 -2.213 -3.728 -11.599 122 HE2 LYS 15 HE2 LYS 15 -1.967 -1.876 -13.193 123 HE3 LYS 15 HE3 LYS 15 -1.044 -2.940 -14.290 124 HZ1 LYS 15 HZ1 LYS 15 -3.000 -4.357 -14.446 125 HZ2 LYS 15 HZ2 LYS 15 -3.436 -2.826 -14.811 126 HZ3 LYS 15 HZ3 LYS 15 -3.815 -3.423 -13.345 127 H THR 16 HN THR 16 2.970 -5.847 -9.140 128 HA THR 16 HA THR 16 1.921 -6.203 -6.385 129 HB THR 16 HB THR 16 3.530 -8.246 -7.950 130 HG1 THR 16 HG1 THR 16 1.845 -9.104 -8.723 131 HG21 THR 16 HG21 THR 16 3.612 -8.502 -5.578 132 HG22 THR 16 HG22 THR 16 2.638 -9.808 -6.280 133 HG23 THR 16 HG23 THR 16 1.825 -8.466 -5.452 134 H LEU 17 HN LEU 17 3.388 -5.402 -4.923 135 HA LEU 17 HA LEU 17 6.168 -4.764 -5.670 136 HB2 LEU 17 HB2 LEU 17 4.996 -3.183 -4.230 137 HB3 LEU 17 HB3 LEU 17 4.505 -4.504 -3.152 138 HG LEU 17 HG LEU 17 6.819 -4.903 -2.459 139 HD11 LEU 17 HD11 LEU 17 7.478 -2.596 -4.343 140 HD12 LEU 17 HD12 LEU 17 7.998 -4.280 -4.537 141 HD13 LEU 17 HD13 LEU 17 8.615 -3.356 -3.182 142 HD21 LEU 17 HD21 LEU 17 7.195 -2.861 -1.200 143 HD22 LEU 17 HD22 LEU 17 5.495 -3.267 -1.206 144 HD23 LEU 17 HD23 LEU 17 6.073 -1.959 -2.265 145 H THR 18 HN THR 18 7.665 -6.470 -5.529 146 HA THR 18 HA THR 18 7.155 -8.601 -3.488 147 HB THR 18 HB THR 18 8.844 -8.614 -5.974 148 HG1 THR 18 HG1 THR 18 7.277 -9.700 -6.742 149 HG21 THR 18 HG21 THR 18 8.771 -10.755 -3.822 150 HG22 THR 18 HG22 THR 18 10.174 -9.768 -4.298 151 HG23 THR 18 HG23 THR 18 9.485 -10.922 -5.445 152 H LEU 19 HN LEU 19 8.604 -8.809 -1.852 153 HA LEU 19 HA LEU 19 11.079 -7.226 -1.719 154 HB2 LEU 19 HB2 LEU 19 8.725 -7.037 0.223 155 HB3 LEU 19 HB3 LEU 19 10.363 -6.636 0.692 156 HG LEU 19 HG LEU 19 8.826 -5.147 -1.435 157 HD11 LEU 19 HD11 LEU 19 9.480 -4.535 1.492 158 HD12 LEU 19 HD12 LEU 19 7.870 -4.784 0.781 159 HD13 LEU 19 HD13 LEU 19 8.816 -3.356 0.350 160 HD21 LEU 19 HD21 LEU 19 10.667 -3.485 -1.210 161 HD22 LEU 19 HD22 LEU 19 11.250 -5.020 -1.844 162 HD23 LEU 19 HD23 LEU 19 11.529 -4.603 -0.132 163 H ARG 20 HN ARG 20 12.412 -8.061 0.197 164 HA ARG 20 HA ARG 20 11.503 -10.727 1.161 165 HB2 ARG 20 HB2 ARG 20 13.092 -10.896 -0.718 166 HB3 ARG 20 HB3 ARG 20 14.274 -9.970 0.216 167 HG2 ARG 20 HG2 ARG 20 14.258 -11.788 1.963 168 HG3 ARG 20 HG3 ARG 20 13.052 -12.664 1.001 169 HD2 ARG 20 HD2 ARG 20 15.253 -13.574 0.515 170 HD3 ARG 20 HD3 ARG 20 14.600 -12.721 -0.896 171 HE ARG 20 HE ARG 20 16.330 -11.173 0.882 172 HH11 ARG 20 HH11 ARG 20 16.275 -13.239 -2.020 173 HH12 ARG 20 HH12 ARG 20 17.614 -12.414 -2.782 174 HH21 ARG 20 HH21 ARG 20 18.003 -9.986 -0.250 175 HH22 ARG 20 HH22 ARG 20 18.705 -10.669 -1.674 176 H TYR 21 HN TYR 21 10.990 -10.300 3.270 177 HA TYR 21 HA TYR 21 12.443 -8.378 4.906 178 HB2 TYR 21 HB2 TYR 21 9.956 -8.890 5.074 179 HB3 TYR 21 HB3 TYR 21 10.380 -10.451 5.747 180 HD1 TYR 21 HD2 TYR 21 12.032 -10.374 7.893 181 HD2 TYR 21 HD1 TYR 21 9.548 -7.106 6.547 182 HE1 TYR 21 HE2 TYR 21 12.199 -9.355 10.103 183 HE2 TYR 21 HE1 TYR 21 9.635 -6.120 8.809 184 HH TYR 21 HH TYR 21 10.892 -7.918 11.523 185 H GLY 22 HN GLY 22 14.570 -9.093 5.092 186 HA2 GLY 22 HA2 GLY 22 16.283 -10.327 6.111 187 HA3 GLY 22 HA1 GLY 22 15.043 -11.283 6.950 188 H GLU 23 HN GLU 23 14.665 -13.348 6.221 189 HA GLU 23 HA GLU 23 15.927 -14.212 3.728 190 HB2 GLU 23 HB2 GLU 23 14.346 -15.592 5.951 191 HB3 GLU 23 HB3 GLU 23 15.093 -16.450 4.603 192 HG2 GLU 23 HG2 GLU 23 16.661 -14.701 6.572 193 HG3 GLU 23 HG3 GLU 23 16.409 -16.404 6.768 194 H ASP 24 HN ASP 24 12.756 -13.283 4.928 195 HA ASP 24 HA ASP 24 11.414 -15.343 3.351 196 HB2 ASP 24 HB2 ASP 24 10.505 -13.363 5.467 197 HB3 ASP 24 HB3 ASP 24 9.437 -14.507 4.665 198 H SER 25 HN SER 25 10.265 -15.005 1.528 199 HA SER 25 HA SER 25 10.308 -12.228 0.471 200 HB2 SER 25 HB2 SER 25 10.027 -13.778 -1.717 201 HB3 SER 25 HB3 SER 25 11.528 -13.121 -1.093 202 HG SER 25 HG SER 25 11.954 -15.114 -0.091 203 H TYR 26 HN TYR 26 8.550 -11.163 0.326 204 HA TYR 26 HA TYR 26 5.893 -12.465 0.216 205 HB2 TYR 26 HB2 TYR 26 6.845 -9.764 1.278 206 HB3 TYR 26 HB3 TYR 26 5.239 -10.417 1.492 207 HD1 TYR 26 HD1 TYR 26 6.204 -13.337 2.223 208 HD2 TYR 26 HD2 TYR 26 7.441 -9.436 3.526 209 HE1 TYR 26 HE1 TYR 26 6.847 -14.282 4.412 210 HE2 TYR 26 HE2 TYR 26 8.039 -10.364 5.759 211 HH TYR 26 HH TYR 26 8.158 -12.262 7.064 212 H ASP 27 HN ASP 27 4.273 -11.373 -1.106 213 HA ASP 27 HA ASP 27 5.237 -9.291 -2.907 214 HB2 ASP 27 HB2 ASP 27 4.641 -10.388 -4.899 215 HB3 ASP 27 HB3 ASP 27 5.725 -11.432 -4.002 216 H LEU 28 HN LEU 28 4.090 -7.743 -2.293 217 HA LEU 28 HA LEU 28 1.344 -7.969 -1.341 218 HB2 LEU 28 HB2 LEU 28 3.406 -5.697 -1.416 219 HB3 LEU 28 HB3 LEU 28 1.810 -5.603 -0.696 220 HG LEU 28 HG LEU 28 2.630 -7.733 0.671 221 HD11 LEU 28 HD11 LEU 28 4.878 -7.976 -0.416 222 HD12 LEU 28 HD12 LEU 28 4.985 -7.673 1.300 223 HD13 LEU 28 HD13 LEU 28 5.308 -6.351 0.150 224 HD21 LEU 28 HD21 LEU 28 3.110 -6.269 2.474 225 HD22 LEU 28 HD22 LEU 28 2.030 -5.348 1.444 226 HD23 LEU 28 HD23 LEU 28 3.763 -4.996 1.407 227 HA PRO 29 HA PRO 29 -0.100 -6.095 -5.160 228 HB2 PRO 29 HB2 PRO 29 -2.595 -5.296 -4.495 229 HB3 PRO 29 HB3 PRO 29 -2.175 -7.009 -4.617 230 HG2 PRO 29 HG2 PRO 29 -2.445 -5.322 -2.166 231 HG3 PRO 29 HG3 PRO 29 -2.927 -7.027 -2.423 232 HD2 PRO 29 HD2 PRO 29 -0.610 -6.255 -1.123 233 HD3 PRO 29 HD3 PRO 29 -0.852 -7.822 -1.954 234 H ALA 30 HN ALA 30 -0.564 -4.084 -6.191 235 HA ALA 30 HA ALA 30 0.468 -1.765 -4.966 236 HB1 ALA 30 HB1 ALA 30 0.501 -2.010 -7.364 237 HB2 ALA 30 HB2 ALA 30 -1.281 -2.044 -7.454 238 HB3 ALA 30 HB3 ALA 30 -0.431 -0.563 -6.967 239 H GLU 31 HN GLU 31 -3.092 -2.771 -5.348 240 HA GLU 31 HA GLU 31 -3.923 -0.198 -4.499 241 HB2 GLU 31 HB2 GLU 31 -6.111 -0.962 -4.346 242 HB3 GLU 31 HB3 GLU 31 -5.414 -1.800 -5.714 243 HG2 GLU 31 HG2 GLU 31 -5.700 -2.987 -2.899 244 HG3 GLU 31 HG3 GLU 31 -6.883 -3.179 -4.138 245 H PHE 32 HN PHE 32 -2.942 -3.033 -2.550 246 HA PHE 32 HA PHE 32 -3.908 -1.992 -0.044 247 HB2 PHE 32 HB2 PHE 32 -3.114 -4.236 -0.089 248 HB3 PHE 32 HB3 PHE 32 -1.600 -3.768 -0.865 249 HD1 PHE 32 HD2 PHE 32 -3.500 -3.148 2.334 250 HD2 PHE 32 HD1 PHE 32 0.328 -3.602 0.396 251 HE1 PHE 32 HE2 PHE 32 -2.362 -2.909 4.506 252 HE2 PHE 32 HE1 PHE 32 1.462 -3.334 2.584 253 HZ PHE 32 HZ PHE 32 0.120 -2.971 4.636 254 H LEU 33 HN LEU 33 -0.800 -1.602 -1.769 255 HA LEU 33 HA LEU 33 0.378 0.050 0.237 256 HB2 LEU 33 HB2 LEU 33 1.064 -0.236 -2.704 257 HB3 LEU 33 HB3 LEU 33 2.100 0.514 -1.487 258 HG LEU 33 HG LEU 33 1.194 -2.391 -1.379 259 HD11 LEU 33 HD11 LEU 33 3.390 -2.943 -2.180 260 HD12 LEU 33 HD12 LEU 33 3.817 -1.222 -2.367 261 HD13 LEU 33 HD13 LEU 33 2.554 -1.962 -3.380 262 HD21 LEU 33 HD21 LEU 33 1.861 -1.480 0.828 263 HD22 LEU 33 HD22 LEU 33 3.397 -0.932 0.142 264 HD23 LEU 33 HD23 LEU 33 3.024 -2.668 0.236 265 H ARG 34 HN ARG 34 -1.674 0.946 -2.539 266 HA ARG 34 HA ARG 34 -0.994 3.750 -2.340 267 HB2 ARG 34 HB2 ARG 34 -2.089 2.912 -4.362 268 HB3 ARG 34 HB3 ARG 34 -3.511 2.444 -3.440 269 HG2 ARG 34 HG2 ARG 34 -3.887 4.547 -4.657 270 HG3 ARG 34 HG3 ARG 34 -4.026 4.763 -2.923 271 HD2 ARG 34 HD2 ARG 34 -1.568 5.636 -2.986 272 HD3 ARG 34 HD3 ARG 34 -1.718 5.628 -4.751 273 HE ARG 34 HE ARG 34 -3.850 7.103 -4.152 274 HH11 ARG 34 HH11 ARG 34 -0.525 7.561 -2.770 275 HH12 ARG 34 HH12 ARG 34 -0.971 9.062 -2.079 276 HH21 ARG 34 HH21 ARG 34 -4.299 9.017 -3.317 277 HH22 ARG 34 HH22 ARG 34 -3.192 9.871 -2.264 278 H VAL 35 HN VAL 35 -3.583 1.793 -0.776 279 HA VAL 35 HA VAL 35 -4.661 4.206 0.483 280 HB VAL 35 HB VAL 35 -6.251 2.760 1.508 281 HG11 VAL 35 HG11 VAL 35 -6.420 3.608 -0.873 282 HG12 VAL 35 HG12 VAL 35 -5.800 2.061 -1.443 283 HG13 VAL 35 HG13 VAL 35 -7.343 2.121 -0.570 284 HG21 VAL 35 HG21 VAL 35 -4.799 0.405 0.231 285 HG22 VAL 35 HG22 VAL 35 -4.956 0.709 1.960 286 HG23 VAL 35 HG23 VAL 35 -6.384 0.341 0.983 287 H HIS 36 HN HIS 36 -2.458 1.545 1.517 288 HA HIS 36 HA HIS 36 -2.126 2.750 4.147 289 HB2 HIS 36 HB2 HIS 36 -1.844 0.194 3.167 290 HB3 HIS 36 HB3 HIS 36 -0.174 0.676 3.276 291 HD1 HIS 36 HD1 HIS 36 0.243 1.927 6.051 292 HD2 HIS 36 HD2 HIS 36 -2.787 -0.905 5.265 293 HE1 HIS 36 HE1 HIS 36 -0.546 1.052 8.289 294 H SER 37 HN SER 37 -1.614 4.702 2.195 295 HA SER 37 HA SER 37 1.330 5.004 2.114 296 HB2 SER 37 HB2 SER 37 0.206 4.954 -0.007 297 HB3 SER 37 HB3 SER 37 -0.699 6.428 0.406 298 HG SER 37 HG SER 37 1.028 7.508 -0.158 299 HA PRO 38 HA PRO 38 0.189 8.297 5.198 300 HB2 PRO 38 HB2 PRO 38 2.465 7.933 6.747 301 HB3 PRO 38 HB3 PRO 38 0.923 7.042 6.996 302 HG2 PRO 38 HG2 PRO 38 3.489 6.208 5.690 303 HG3 PRO 38 HG3 PRO 38 2.352 5.247 6.688 304 HD2 PRO 38 HD2 PRO 38 2.497 5.272 3.868 305 HD3 PRO 38 HD3 PRO 38 1.087 4.723 4.806 306 H SER 39 HN SER 39 0.501 9.930 3.610 307 HA SER 39 HA SER 39 2.925 10.462 2.281 308 HB2 SER 39 HB2 SER 39 0.696 12.372 3.064 309 HB3 SER 39 HB3 SER 39 1.837 12.582 1.746 310 HG SER 39 HG SER 39 -0.350 11.678 1.242 311 H ALA 40 HN ALA 40 4.381 12.173 2.735 312 HA ALA 40 HA ALA 40 4.853 12.616 5.663 313 HB1 ALA 40 HB1 ALA 40 7.055 11.775 5.471 314 HB2 ALA 40 HB2 ALA 40 5.999 10.553 4.736 315 HB3 ALA 40 HB3 ALA 40 6.939 11.684 3.709 316 H GLU 41 HN GLU 41 4.543 14.137 2.657 317 HA GLU 41 HA GLU 41 6.252 16.352 3.498 318 HB2 GLU 41 HB2 GLU 41 5.701 15.506 0.648 319 HB3 GLU 41 HB3 GLU 41 6.675 16.887 1.186 320 HG2 GLU 41 HG2 GLU 41 8.123 15.208 2.479 321 HG3 GLU 41 HG3 GLU 41 7.281 13.927 1.600 322 H VAL 42 HN VAL 42 3.622 15.544 4.231 323 HA VAL 42 HA VAL 42 1.607 17.360 3.208 324 HB VAL 42 HB VAL 42 1.622 16.154 5.997 325 HG11 VAL 42 HG11 VAL 42 -0.227 17.616 5.339 326 HG12 VAL 42 HG12 VAL 42 -0.552 16.610 3.913 327 HG13 VAL 42 HG13 VAL 42 -0.794 15.955 5.549 328 HG21 VAL 42 HG21 VAL 42 0.611 14.078 5.104 329 HG22 VAL 42 HG22 VAL 42 1.107 14.584 3.466 330 HG23 VAL 42 HG23 VAL 42 2.321 14.264 4.740 331 H GLN 43 HN GLN 43 3.497 17.148 6.239 332 HA GLN 43 HA GLN 43 4.328 18.696 7.666 333 HB2 GLN 43 HB2 GLN 43 4.758 20.449 5.236 334 HB3 GLN 43 HB3 GLN 43 5.696 20.411 6.711 335 HG2 GLN 43 HG2 GLN 43 5.554 18.034 4.794 336 HG3 GLN 43 HG3 GLN 43 6.683 19.350 4.591 337 HE21 GLN 43 HE21 GLN 43 6.515 16.208 5.927 338 HE22 GLN 43 HE22 GLN 43 7.711 16.476 7.163 339 H GLY 44 HN GLY 44 1.909 18.747 8.260 340 HA2 GLY 44 HA2 GLY 44 1.136 21.040 9.291 341 HA3 GLY 44 HA1 GLY 44 0.521 21.291 7.658 342 H HIS 45 HN HIS 45 0.077 18.095 7.760 343 HA HIS 45 HA HIS 45 -2.303 18.029 9.450 344 HB2 HIS 45 HB2 HIS 45 -2.457 17.493 6.450 345 HB3 HIS 45 HB3 HIS 45 -3.759 17.347 7.622 346 HD1 HIS 45 HD1 HIS 45 -5.050 19.542 8.271 347 HD2 HIS 45 HD2 HIS 45 -1.744 20.056 5.717 348 HE1 HIS 45 HE1 HIS 45 -5.214 21.936 7.341 349 H GLY 46 HN GLY 46 -3.179 15.806 9.519 350 HA2 GLY 46 HA2 GLY 46 -1.849 13.513 8.391 351 HA3 GLY 46 HA1 GLY 46 -1.292 13.846 10.040 352 H ASN 47 HN ASN 47 -4.518 13.995 8.350 353 HA ASN 47 HA ASN 47 -5.785 12.725 10.688 354 HB2 ASN 47 HB2 ASN 47 -6.949 13.558 8.013 355 HB3 ASN 47 HB3 ASN 47 -7.866 12.864 9.337 356 HD21 ASN 47 HD21 ASN 47 -6.245 15.714 8.199 357 HD22 ASN 47 HD22 ASN 47 -6.738 16.818 9.451 358 HA PRO 48 HA PRO 48 -5.812 8.748 8.463 359 HB2 PRO 48 HB2 PRO 48 -7.368 7.303 10.125 360 HB3 PRO 48 HB3 PRO 48 -5.697 7.770 10.581 361 HG2 PRO 48 HG2 PRO 48 -8.297 9.005 11.504 362 HG3 PRO 48 HG3 PRO 48 -6.794 8.738 12.426 363 HD2 PRO 48 HD2 PRO 48 -7.559 11.148 11.186 364 HD3 PRO 48 HD3 PRO 48 -5.907 10.742 11.709 365 H VAL 49 HN VAL 49 -6.980 8.961 6.649 366 HA VAL 49 HA VAL 49 -9.958 9.272 6.800 367 HB VAL 49 HB VAL 49 -8.057 10.476 4.771 368 HG11 VAL 49 HG11 VAL 49 -10.055 9.761 3.608 369 HG12 VAL 49 HG12 VAL 49 -11.093 10.546 4.830 370 HG13 VAL 49 HG13 VAL 49 -10.061 11.510 3.756 371 HG21 VAL 49 HG21 VAL 49 -9.875 11.748 6.875 372 HG22 VAL 49 HG22 VAL 49 -8.099 11.803 6.821 373 HG23 VAL 49 HG23 VAL 49 -9.045 12.656 5.597 374 H LEU 50 HN LEU 50 -11.088 7.914 5.502 375 HA LEU 50 HA LEU 50 -9.685 5.524 4.682 376 HB2 LEU 50 HB2 LEU 50 -12.073 5.620 5.677 377 HB3 LEU 50 HB3 LEU 50 -12.589 6.338 4.156 378 HG LEU 50 HG LEU 50 -11.916 4.279 2.940 379 HD11 LEU 50 HD11 LEU 50 -10.043 3.407 4.196 380 HD12 LEU 50 HD12 LEU 50 -11.338 2.235 4.452 381 HD13 LEU 50 HD13 LEU 50 -10.977 3.420 5.702 382 HD21 LEU 50 HD21 LEU 50 -13.646 2.827 3.961 383 HD22 LEU 50 HD22 LEU 50 -14.167 4.518 3.872 384 HD23 LEU 50 HD23 LEU 50 -13.622 3.819 5.420 385 H GLN 51 HN GLN 51 -8.917 5.003 2.709 386 HA GLN 51 HA GLN 51 -9.504 6.812 0.454 387 HB2 GLN 51 HB2 GLN 51 -7.169 5.001 1.125 388 HB3 GLN 51 HB3 GLN 51 -7.274 6.018 -0.289 389 HG2 GLN 51 HG2 GLN 51 -7.323 7.028 2.606 390 HG3 GLN 51 HG3 GLN 51 -5.909 6.958 1.654 391 HE21 GLN 51 HE21 GLN 51 -9.210 8.482 1.690 392 HE22 GLN 51 HE22 GLN 51 -8.632 9.984 0.979 393 H TYR 52 HN TYR 52 -10.973 6.099 -0.850 394 HA TYR 52 HA TYR 52 -11.370 3.220 -1.436 395 HB2 TYR 52 HB2 TYR 52 -13.798 3.674 -1.415 396 HB3 TYR 52 HB3 TYR 52 -13.116 3.764 0.156 397 HD1 TYR 52 HD2 TYR 52 -14.543 5.564 -2.734 398 HD2 TYR 52 HD1 TYR 52 -13.107 6.045 1.319 399 HE1 TYR 52 HE2 TYR 52 -15.385 7.806 -2.733 400 HE2 TYR 52 HE1 TYR 52 -14.019 8.304 1.377 401 HH TYR 52 HH TYR 52 -15.044 9.980 0.187 402 H GLY 53 HN GLY 53 -13.076 3.214 -3.336 403 HA2 GLY 53 HA2 GLY 53 -13.213 3.363 -5.631 404 HA3 GLY 53 HA1 GLY 53 -13.106 5.104 -5.394 405 H LYS 54 HN LYS 54 -10.782 2.464 -4.889 406 HA LYS 54 HA LYS 54 -8.727 3.807 -6.577 407 HB2 LYS 54 HB2 LYS 54 -8.837 3.901 -3.658 408 HB3 LYS 54 HB3 LYS 54 -7.473 2.931 -4.126 409 HG2 LYS 54 HG2 LYS 54 -6.712 5.143 -3.844 410 HG3 LYS 54 HG3 LYS 54 -6.624 4.802 -5.570 411 HD2 LYS 54 HD2 LYS 54 -9.149 6.089 -4.577 412 HD3 LYS 54 HD3 LYS 54 -7.695 7.079 -4.479 413 HE2 LYS 54 HE2 LYS 54 -7.318 7.004 -6.816 414 HE3 LYS 54 HE3 LYS 54 -8.457 5.670 -7.032 415 HZ1 LYS 54 HZ1 LYS 54 -9.348 8.312 -6.125 416 HZ2 LYS 54 HZ2 LYS 54 -10.258 7.041 -6.607 417 HZ3 LYS 54 HZ3 LYS 54 -9.326 7.824 -7.710 418 H LEU 55 HN LEU 55 -10.375 1.037 -6.178 419 HA LEU 55 HA LEU 55 -8.453 -0.916 -5.663 420 HB2 LEU 55 HB2 LEU 55 -10.960 -0.949 -5.708 421 HB3 LEU 55 HB3 LEU 55 -11.009 -1.188 -7.396 422 HG LEU 55 HG LEU 55 -11.363 -3.139 -5.820 423 HD11 LEU 55 HD11 LEU 55 -10.875 -3.436 -8.139 424 HD12 LEU 55 HD12 LEU 55 -10.158 -4.732 -7.153 425 HD13 LEU 55 HD13 LEU 55 -9.122 -3.456 -7.820 426 HD21 LEU 55 HD21 LEU 55 -9.212 -2.481 -4.352 427 HD22 LEU 55 HD22 LEU 55 -8.417 -3.539 -5.545 428 HD23 LEU 55 HD23 LEU 55 -9.752 -4.131 -4.543 429 H ASN 56 HN ASN 56 -9.328 0.595 -8.757 430 HA ASN 56 HA ASN 56 -7.859 -1.465 -10.246 431 HB2 ASN 56 HB2 ASN 56 -9.596 0.860 -11.135 432 HB3 ASN 56 HB3 ASN 56 -8.732 -0.200 -12.246 433 HD21 ASN 56 HD21 ASN 56 -11.636 0.118 -11.997 434 HD22 ASN 56 HD22 ASN 56 -12.282 -1.466 -11.635 435 H VAL 57 HN VAL 57 -6.664 0.892 -8.499 436 HA VAL 57 HA VAL 57 -4.880 2.336 -10.136 437 HB VAL 57 HB VAL 57 -5.265 2.627 -7.697 438 HG11 VAL 57 HG11 VAL 57 -5.239 0.211 -7.033 439 HG12 VAL 57 HG12 VAL 57 -3.485 0.204 -7.239 440 HG13 VAL 57 HG13 VAL 57 -4.242 1.275 -6.027 441 HG21 VAL 57 HG21 VAL 57 -3.114 3.332 -7.062 442 HG22 VAL 57 HG22 VAL 57 -2.303 2.108 -8.062 443 HG23 VAL 57 HG23 VAL 57 -3.130 3.467 -8.833 444 H GLY 58 HN GLY 58 -2.576 1.956 -10.485 445 HA2 GLY 58 HA2 GLY 58 -1.688 -0.693 -9.872 446 HA3 GLY 58 HA1 GLY 58 -1.496 -0.258 -11.588 447 H LEU 59 HN LEU 59 0.757 -0.800 -10.102 448 HA LEU 59 HA LEU 59 2.022 1.686 -9.247 449 HB2 LEU 59 HB2 LEU 59 2.446 -1.091 -8.835 450 HB3 LEU 59 HB3 LEU 59 3.724 -0.631 -9.940 451 HG LEU 59 HG LEU 59 4.417 -0.550 -7.601 452 HD11 LEU 59 HD11 LEU 59 5.756 0.914 -8.814 453 HD12 LEU 59 HD12 LEU 59 5.107 1.985 -7.568 454 HD13 LEU 59 HD13 LEU 59 4.408 2.010 -9.168 455 HD21 LEU 59 HD21 LEU 59 2.561 1.788 -7.148 456 HD22 LEU 59 HD22 LEU 59 3.537 0.890 -5.982 457 HD23 LEU 59 HD23 LEU 59 2.136 0.106 -6.716 458 H VAL 60 HN VAL 60 3.237 2.916 -10.587 459 HA VAL 60 HA VAL 60 3.533 2.072 -13.428 460 HB VAL 60 HB VAL 60 3.858 4.748 -13.555 461 HG11 VAL 60 HG11 VAL 60 2.360 3.373 -14.893 462 HG12 VAL 60 HG12 VAL 60 1.262 3.169 -13.518 463 HG13 VAL 60 HG13 VAL 60 1.464 4.776 -14.271 464 HG21 VAL 60 HG21 VAL 60 1.776 4.386 -11.370 465 HG22 VAL 60 HG22 VAL 60 3.356 5.161 -11.161 466 HG23 VAL 60 HG23 VAL 60 2.152 5.893 -12.224 467 H GLY 61 HN GLY 61 5.233 3.326 -10.612 468 HA2 GLY 61 HA2 GLY 61 7.714 2.442 -11.748 469 HA3 GLY 61 HA1 GLY 61 7.603 4.212 -11.825 470 H VAL 62 HN VAL 62 9.660 3.014 -10.532 471 HA VAL 62 HA VAL 62 9.367 3.743 -7.742 472 HB VAL 62 HB VAL 62 8.324 1.619 -7.813 473 HG11 VAL 62 HG11 VAL 62 9.367 -0.496 -8.403 474 HG12 VAL 62 HG12 VAL 62 9.524 0.579 -9.806 475 HG13 VAL 62 HG13 VAL 62 10.906 0.290 -8.742 476 HG21 VAL 62 HG21 VAL 62 9.436 0.411 -6.107 477 HG22 VAL 62 HG22 VAL 62 10.954 1.271 -6.435 478 HG23 VAL 62 HG23 VAL 62 9.511 2.150 -5.824 479 H GLU 63 HN GLU 63 11.250 4.510 -7.108 480 HA GLU 63 HA GLU 63 13.798 3.439 -7.983 481 HB2 GLU 63 HB2 GLU 63 13.249 6.375 -8.593 482 HB3 GLU 63 HB3 GLU 63 14.802 5.577 -8.675 483 HG2 GLU 63 HG2 GLU 63 13.800 3.946 -10.319 484 HG3 GLU 63 HG3 GLU 63 12.395 5.009 -10.419 485 HA PRO 64 HA PRO 64 14.484 4.388 -3.772 486 HB2 PRO 64 HB2 PRO 64 17.214 4.409 -3.536 487 HB3 PRO 64 HB3 PRO 64 16.245 2.937 -3.841 488 HG2 PRO 64 HG2 PRO 64 17.748 4.630 -5.827 489 HG3 PRO 64 HG3 PRO 64 17.693 2.846 -5.716 490 HD2 PRO 64 HD2 PRO 64 16.108 4.290 -7.491 491 HD3 PRO 64 HD3 PRO 64 15.573 2.757 -6.753 492 H ALA 65 HN ALA 65 14.415 6.234 -2.491 493 HA ALA 65 HA ALA 65 14.760 8.755 -3.977 494 HB1 ALA 65 HB1 ALA 65 13.318 9.678 -2.297 495 HB2 ALA 65 HB2 ALA 65 12.604 8.129 -2.754 496 HB3 ALA 65 HB3 ALA 65 13.510 8.256 -1.236 497 H GLY 66 HN GLY 66 17.188 7.553 -3.265 498 HA2 GLY 66 HA2 GLY 66 19.139 8.726 -2.387 499 HA3 GLY 66 HA1 GLY 66 18.208 9.181 -0.962 500 H GLN 67 HN GLN 67 18.349 7.848 0.752 501 HA GLN 67 HA GLN 67 19.550 5.138 0.423 502 HB2 GLN 67 HB2 GLN 67 20.538 7.221 2.405 503 HB3 GLN 67 HB3 GLN 67 21.222 5.629 2.059 504 HG2 GLN 67 HG2 GLN 67 21.467 6.583 -0.372 505 HG3 GLN 67 HG3 GLN 67 21.354 8.166 0.431 506 HE21 GLN 67 HE21 GLN 67 23.615 6.785 -1.018 507 HE22 GLN 67 HE22 GLN 67 24.943 6.617 0.127 508 H TYR 68 HN TYR 68 16.943 6.693 1.605 509 HA TYR 68 HA TYR 68 16.770 5.048 4.112 510 HB2 TYR 68 HB2 TYR 68 15.945 7.110 5.281 511 HB3 TYR 68 HB3 TYR 68 17.649 7.081 4.900 512 HD1 TYR 68 HD1 TYR 68 18.632 8.599 3.244 513 HD2 TYR 68 HD2 TYR 68 14.398 8.668 4.070 514 HE1 TYR 68 HE1 TYR 68 18.445 10.637 1.907 515 HE2 TYR 68 HE2 TYR 68 14.186 10.760 2.769 516 HH TYR 68 HH TYR 68 16.956 12.438 1.268 517 H ALA 69 HN ALA 69 15.178 6.169 1.292 518 HA ALA 69 HA ALA 69 12.679 4.971 2.136 519 HB1 ALA 69 HB1 ALA 69 12.862 7.876 1.179 520 HB2 ALA 69 HB2 ALA 69 11.355 6.968 1.433 521 HB3 ALA 69 HB3 ALA 69 12.403 7.371 2.813 522 H LEU 70 HN LEU 70 11.266 4.692 0.227 523 HA LEU 70 HA LEU 70 12.852 4.572 -2.289 524 HB2 LEU 70 HB2 LEU 70 12.041 2.411 -0.910 525 HB3 LEU 70 HB3 LEU 70 10.557 2.703 -1.805 526 HG LEU 70 HG LEU 70 13.349 2.166 -2.910 527 HD11 LEU 70 HD11 LEU 70 11.987 0.178 -2.297 528 HD12 LEU 70 HD12 LEU 70 12.211 0.309 -4.050 529 HD13 LEU 70 HD13 LEU 70 10.663 0.811 -3.298 530 HD21 LEU 70 HD21 LEU 70 12.384 2.384 -5.176 531 HD22 LEU 70 HD22 LEU 70 12.402 3.887 -4.292 532 HD23 LEU 70 HD23 LEU 70 10.882 3.042 -4.440 533 H LYS 71 HN LYS 71 12.009 5.905 -3.919 534 HA LYS 71 HA LYS 71 9.550 7.360 -3.480 535 HB2 LYS 71 HB2 LYS 71 11.852 7.971 -4.809 536 HB3 LYS 71 HB3 LYS 71 10.996 7.217 -6.131 537 HG2 LYS 71 HG2 LYS 71 10.596 9.536 -6.268 538 HG3 LYS 71 HG3 LYS 71 9.081 8.800 -5.722 539 HD2 LYS 71 HD2 LYS 71 9.291 9.632 -3.541 540 HD3 LYS 71 HD3 LYS 71 11.047 9.864 -3.699 541 HE2 LYS 71 HE2 LYS 71 10.570 11.650 -5.435 542 HE3 LYS 71 HE3 LYS 71 8.844 11.453 -5.106 543 HZ1 LYS 71 HZ1 LYS 71 9.261 12.183 -2.834 544 HZ2 LYS 71 HZ2 LYS 71 9.719 13.275 -3.939 545 HZ3 LYS 71 HZ3 LYS 71 10.882 12.407 -3.204 546 H LEU 72 HN LEU 72 7.548 6.685 -4.140 547 HA LEU 72 HA LEU 72 7.356 4.354 -5.981 548 HB2 LEU 72 HB2 LEU 72 6.220 4.813 -3.196 549 HB3 LEU 72 HB3 LEU 72 5.220 4.090 -4.421 550 HG LEU 72 HG LEU 72 7.961 2.924 -3.970 551 HD11 LEU 72 HD11 LEU 72 5.406 2.300 -2.423 552 HD12 LEU 72 HD12 LEU 72 6.929 2.940 -1.766 553 HD13 LEU 72 HD13 LEU 72 6.875 1.297 -2.424 554 HD21 LEU 72 HD21 LEU 72 5.268 1.899 -4.995 555 HD22 LEU 72 HD22 LEU 72 6.730 0.888 -4.817 556 HD23 LEU 72 HD23 LEU 72 6.709 2.225 -5.974 557 H SER 73 HN SER 73 6.012 4.693 -7.676 558 HA SER 73 HA SER 73 4.320 7.125 -7.661 559 HB2 SER 73 HB2 SER 73 5.145 5.414 -10.018 560 HB3 SER 73 HB3 SER 73 4.470 7.034 -10.027 561 HG SER 73 HG SER 73 6.692 7.271 -8.717 562 H PHE 74 HN PHE 74 2.080 6.863 -8.187 563 HA PHE 74 HA PHE 74 1.134 4.088 -8.720 564 HB2 PHE 74 HB2 PHE 74 0.022 5.927 -6.585 565 HB3 PHE 74 HB3 PHE 74 -0.849 4.580 -7.266 566 HD1 PHE 74 HD2 PHE 74 2.502 5.253 -5.524 567 HD2 PHE 74 HD1 PHE 74 -0.688 2.437 -6.333 568 HE1 PHE 74 HE2 PHE 74 3.367 3.730 -3.812 569 HE2 PHE 74 HE1 PHE 74 0.325 0.891 -4.681 570 HZ PHE 74 HZ PHE 74 2.377 1.533 -3.454 571 H ASP 75 HN ASP 75 -0.185 4.009 -10.301 572 HA ASP 75 HA ASP 75 -0.595 6.090 -12.106 573 HB2 ASP 75 HB2 ASP 75 -0.812 3.730 -12.719 574 HB3 ASP 75 HB3 ASP 75 -2.204 3.569 -11.647 575 H ASP 76 HN ASP 76 -2.579 5.151 -9.437 576 HA ASP 76 HA ASP 76 -4.691 7.129 -10.143 577 HB2 ASP 76 HB2 ASP 76 -5.219 4.615 -10.044 578 HB3 ASP 76 HB3 ASP 76 -5.024 4.777 -8.287 579 H GLY 77 HN GLY 77 -2.164 7.769 -8.948 580 HA2 GLY 77 HA2 GLY 77 -2.863 8.601 -6.166 581 HA3 GLY 77 HA1 GLY 77 -1.318 7.868 -6.606 582 H HIS 78 HN HIS 78 -0.360 9.892 -5.692 583 HA HIS 78 HA HIS 78 -0.349 12.152 -7.568 584 HB2 HIS 78 HB2 HIS 78 -0.528 13.617 -5.648 585 HB3 HIS 78 HB3 HIS 78 -1.980 12.639 -5.837 586 HD1 HIS 78 HD1 HIS 78 1.198 12.766 -3.599 587 HD2 HIS 78 HD2 HIS 78 -2.813 11.508 -3.679 588 HE1 HIS 78 HE1 HIS 78 0.692 11.853 -1.268 589 H ASP 79 HN ASP 79 1.459 9.810 -6.442 590 HA ASP 79 HA ASP 79 3.599 9.381 -5.953 591 HB2 ASP 79 HB2 ASP 79 3.905 11.452 -8.137 592 HB3 ASP 79 HB3 ASP 79 5.031 10.149 -7.744 593 H SER 80 HN SER 80 2.883 10.916 -3.863 594 HA SER 80 HA SER 80 5.431 12.189 -3.226 595 HB2 SER 80 HB2 SER 80 4.012 14.094 -3.959 596 HB3 SER 80 HB3 SER 80 2.804 13.622 -2.750 597 HG SER 80 HG SER 80 5.077 15.062 -2.479 598 H GLY 81 HN GLY 81 5.937 12.134 -1.138 599 HA2 GLY 81 HA2 GLY 81 5.260 11.765 1.215 600 HA3 GLY 81 HA1 GLY 81 4.385 10.322 0.639 601 H LEU 82 HN LEU 82 6.414 10.135 2.537 602 HA LEU 82 HA LEU 82 8.677 8.848 1.101 603 HB2 LEU 82 HB2 LEU 82 8.501 10.107 3.868 604 HB3 LEU 82 HB3 LEU 82 9.604 8.794 3.530 605 HG LEU 82 HG LEU 82 10.656 10.057 1.707 606 HD11 LEU 82 HD11 LEU 82 8.891 11.675 1.081 607 HD12 LEU 82 HD12 LEU 82 10.356 12.514 1.555 608 HD13 LEU 82 HD13 LEU 82 9.002 12.429 2.693 609 HD21 LEU 82 HD21 LEU 82 10.654 11.458 4.406 610 HD22 LEU 82 HD22 LEU 82 11.907 11.618 3.158 611 HD23 LEU 82 HD23 LEU 82 11.639 10.053 3.946 612 H PHE 83 HN PHE 83 8.872 6.688 1.443 613 HA PHE 83 HA PHE 83 6.883 5.341 3.206 614 HB2 PHE 83 HB2 PHE 83 8.199 4.683 0.602 615 HB3 PHE 83 HB3 PHE 83 7.974 3.359 1.711 616 HD1 PHE 83 HD1 PHE 83 5.670 3.012 2.824 617 HD2 PHE 83 HD2 PHE 83 6.314 5.404 -0.719 618 HE1 PHE 83 HE1 PHE 83 3.214 2.908 2.273 619 HE2 PHE 83 HE2 PHE 83 3.889 5.228 -1.256 620 HZ PHE 83 HZ PHE 83 2.373 4.020 0.287 621 H THR 84 HN THR 84 9.985 6.385 3.507 622 HA THR 84 HA THR 84 11.911 5.679 4.317 623 HB THR 84 HB THR 84 11.202 4.163 6.631 624 HG1 THR 84 HG1 THR 84 9.284 6.130 5.963 625 HG21 THR 84 HG21 THR 84 11.888 6.237 7.775 626 HG22 THR 84 HG22 THR 84 11.787 7.124 6.239 627 HG23 THR 84 HG23 THR 84 12.992 5.850 6.452 628 H TRP 85 HN TRP 85 13.044 3.399 5.558 629 HA TRP 85 HA TRP 85 12.428 1.227 3.642 630 HB2 TRP 85 HB2 TRP 85 14.708 1.678 5.615 631 HB3 TRP 85 HB3 TRP 85 14.455 0.192 4.738 632 HD1 TRP 85 HD1 TRP 85 16.760 2.626 4.563 633 HE1 TRP 85 HE1 TRP 85 17.696 2.995 2.134 634 HE3 TRP 85 HE3 TRP 85 13.032 0.392 1.857 635 HZ2 TRP 85 HZ2 TRP 85 16.784 2.543 -0.572 636 HZ3 TRP 85 HZ3 TRP 85 13.178 0.207 -0.552 637 HH2 TRP 85 HH2 TRP 85 15.045 1.241 -1.819 638 H ASP 86 HN ASP 86 12.796 1.735 7.189 639 HA ASP 86 HA ASP 86 12.083 -0.993 7.729 640 HB2 ASP 86 HB2 ASP 86 12.940 1.335 9.233 641 HB3 ASP 86 HB3 ASP 86 11.574 0.602 10.046 642 H TYR 87 HN TYR 87 10.026 1.812 7.382 643 HA TYR 87 HA TYR 87 7.610 0.502 8.299 644 HB2 TYR 87 HB2 TYR 87 7.777 2.899 8.221 645 HB3 TYR 87 HB3 TYR 87 8.149 2.879 6.512 646 HD1 TYR 87 HD1 TYR 87 5.436 1.217 8.595 647 HD2 TYR 87 HD2 TYR 87 6.398 3.890 5.342 648 HE1 TYR 87 HE1 TYR 87 3.062 1.354 8.010 649 HE2 TYR 87 HE2 TYR 87 4.015 4.070 4.771 650 HH TYR 87 HH TYR 87 1.917 2.894 4.994 651 H LEU 88 HN LEU 88 9.262 0.710 5.082 652 HA LEU 88 HA LEU 88 7.145 -0.504 3.608 653 HB2 LEU 88 HB2 LEU 88 10.139 -0.410 3.136 654 HB3 LEU 88 HB3 LEU 88 9.116 -1.398 2.120 655 HG LEU 88 HG LEU 88 8.746 1.571 2.527 656 HD11 LEU 88 HD11 LEU 88 10.072 0.022 0.255 657 HD12 LEU 88 HD12 LEU 88 10.838 1.153 1.374 658 HD13 LEU 88 HD13 LEU 88 9.666 1.765 0.211 659 HD21 LEU 88 HD21 LEU 88 7.336 1.330 0.401 660 HD22 LEU 88 HD22 LEU 88 6.632 0.605 1.837 661 HD23 LEU 88 HD23 LEU 88 7.421 -0.438 0.639 662 H TYR 89 HN TYR 89 9.986 -1.978 5.211 663 HA TYR 89 HA TYR 89 9.037 -4.662 4.639 664 HB2 TYR 89 HB2 TYR 89 11.248 -3.482 6.251 665 HB3 TYR 89 HB3 TYR 89 10.706 -5.086 6.713 666 HD1 TYR 89 HD2 TYR 89 10.084 -6.670 4.448 667 HD2 TYR 89 HD1 TYR 89 12.937 -3.487 4.711 668 HE1 TYR 89 HE2 TYR 89 11.171 -7.499 2.471 669 HE2 TYR 89 HE1 TYR 89 14.185 -4.427 2.754 670 HH TYR 89 HH TYR 89 13.964 -7.377 1.848 671 H GLU 90 HN GLU 90 8.436 -2.489 7.419 672 HA GLU 90 HA GLU 90 7.221 -4.473 9.016 673 HB2 GLU 90 HB2 GLU 90 7.861 -2.105 9.633 674 HB3 GLU 90 HB3 GLU 90 6.383 -1.546 8.805 675 HG2 GLU 90 HG2 GLU 90 5.006 -2.977 10.264 676 HG3 GLU 90 HG3 GLU 90 6.450 -3.648 11.015 677 H LEU 91 HN LEU 91 5.746 -2.315 6.524 678 HA LEU 91 HA LEU 91 3.166 -3.519 6.474 679 HB2 LEU 91 HB2 LEU 91 4.795 -2.345 4.182 680 HB3 LEU 91 HB3 LEU 91 3.094 -2.768 4.072 681 HG LEU 91 HG LEU 91 4.220 -0.626 5.921 682 HD11 LEU 91 HD11 LEU 91 4.508 -0.031 3.560 683 HD12 LEU 91 HD12 LEU 91 3.197 0.925 4.245 684 HD13 LEU 91 HD13 LEU 91 2.809 -0.452 3.211 685 HD21 LEU 91 HD21 LEU 91 1.923 0.046 6.255 686 HD22 LEU 91 HD22 LEU 91 2.057 -1.639 6.705 687 HD23 LEU 91 HD23 LEU 91 1.326 -1.186 5.146 688 H ALA 92 HN ALA 92 6.180 -4.487 4.789 689 HA ALA 92 HA ALA 92 5.104 -6.340 3.007 690 HB1 ALA 92 HB1 ALA 92 7.792 -6.712 4.313 691 HB2 ALA 92 HB2 ALA 92 7.233 -7.284 2.733 692 HB3 ALA 92 HB3 ALA 92 7.468 -5.545 3.010 693 H THR 93 HN THR 93 5.842 -6.812 6.453 694 HA THR 93 HA THR 93 4.942 -9.636 6.252 695 HB THR 93 HB THR 93 7.087 -9.337 7.256 696 HG1 THR 93 HG1 THR 93 4.920 -10.233 8.717 697 HG21 THR 93 HG21 THR 93 6.914 -7.112 8.189 698 HG22 THR 93 HG22 THR 93 7.438 -8.292 9.392 699 HG23 THR 93 HG23 THR 93 5.756 -7.688 9.409 700 H ARG 94 HN ARG 94 3.295 -6.830 6.595 701 HA ARG 94 HA ARG 94 1.453 -7.919 8.710 702 HB2 ARG 94 HB2 ARG 94 2.304 -5.100 8.068 703 HB3 ARG 94 HB3 ARG 94 0.925 -5.476 9.092 704 HG2 ARG 94 HG2 ARG 94 3.555 -6.779 9.825 705 HG3 ARG 94 HG3 ARG 94 3.383 -5.045 10.075 706 HD2 ARG 94 HD2 ARG 94 2.746 -6.076 12.097 707 HD3 ARG 94 HD3 ARG 94 1.286 -5.422 11.349 708 HE ARG 94 HE ARG 94 1.366 -8.087 10.519 709 HH11 ARG 94 HH11 ARG 94 1.353 -6.452 13.664 710 HH12 ARG 94 HH12 ARG 94 0.497 -7.692 14.475 711 HH21 ARG 94 HH21 ARG 94 0.248 -9.695 11.528 712 HH22 ARG 94 HH22 ARG 94 0.005 -9.724 13.270 713 H LYS 95 HN LYS 95 1.636 -6.970 5.452 714 HA LYS 95 HA LYS 95 -0.498 -5.532 4.870 715 HB2 LYS 95 HB2 LYS 95 0.967 -6.050 3.244 716 HB3 LYS 95 HB3 LYS 95 0.844 -7.767 3.392 717 HG2 LYS 95 HG2 LYS 95 -1.542 -6.193 2.368 718 HG3 LYS 95 HG3 LYS 95 -0.160 -6.427 1.320 719 HD2 LYS 95 HD2 LYS 95 -1.810 -8.659 2.513 720 HD3 LYS 95 HD3 LYS 95 -1.858 -8.097 0.851 721 HE2 LYS 95 HE2 LYS 95 0.456 -8.837 0.462 722 HE3 LYS 95 HE3 LYS 95 0.649 -9.225 2.173 723 HZ1 LYS 95 HZ1 LYS 95 -1.208 -10.843 1.841 724 HZ2 LYS 95 HZ2 LYS 95 0.266 -11.207 1.140 725 HZ3 LYS 95 HZ3 LYS 95 -1.001 -10.678 0.239 726 H ASP 96 HN ASP 96 -0.868 -9.086 4.972 727 HA ASP 96 HA ASP 96 -3.589 -9.183 4.306 728 HB2 ASP 96 HB2 ASP 96 -2.247 -11.187 4.425 729 HB3 ASP 96 HB3 ASP 96 -1.925 -10.902 6.126 730 H GLN 97 HN GLN 97 -2.172 -8.637 7.605 731 HA GLN 97 HA GLN 97 -4.746 -8.911 8.899 732 HB2 GLN 97 HB2 GLN 97 -2.659 -9.411 10.082 733 HB3 GLN 97 HB3 GLN 97 -2.075 -7.770 9.823 734 HG2 GLN 97 HG2 GLN 97 -2.840 -8.026 12.103 735 HG3 GLN 97 HG3 GLN 97 -3.847 -6.862 11.260 736 HE21 GLN 97 HE21 GLN 97 -6.043 -7.631 10.493 737 HE22 GLN 97 HE22 GLN 97 -6.840 -8.910 11.386 738 H LEU 98 HN LEU 98 -2.696 -6.262 7.768 739 HA LEU 98 HA LEU 98 -4.335 -4.062 8.628 740 HB2 LEU 98 HB2 LEU 98 -2.481 -4.193 6.228 741 HB3 LEU 98 HB3 LEU 98 -2.974 -2.739 7.110 742 HG LEU 98 HG LEU 98 -1.264 -4.963 8.291 743 HD11 LEU 98 HD11 LEU 98 -0.431 -2.326 7.082 744 HD12 LEU 98 HD12 LEU 98 0.021 -3.978 6.573 745 HD13 LEU 98 HD13 LEU 98 0.604 -3.327 8.104 746 HD21 LEU 98 HD21 LEU 98 -0.756 -3.497 10.086 747 HD22 LEU 98 HD22 LEU 98 -2.489 -3.783 9.995 748 HD23 LEU 98 HD23 LEU 98 -1.829 -2.229 9.420 749 H TRP 99 HN TRP 99 -4.324 -6.140 5.765 750 HA TRP 99 HA TRP 99 -6.093 -4.572 4.157 751 HB2 TRP 99 HB2 TRP 99 -4.510 -6.256 3.269 752 HB3 TRP 99 HB3 TRP 99 -5.385 -7.545 4.090 753 HD1 TRP 99 HD1 TRP 99 -6.980 -8.795 2.549 754 HE1 TRP 99 HE1 TRP 99 -8.241 -8.306 0.397 755 HE3 TRP 99 HE3 TRP 99 -5.680 -3.905 2.045 756 HZ2 TRP 99 HZ2 TRP 99 -8.492 -6.049 -1.475 757 HZ3 TRP 99 HZ3 TRP 99 -6.337 -2.615 -0.029 758 HH2 TRP 99 HH2 TRP 99 -7.713 -3.704 -1.759 759 H ALA 100 HN ALA 100 -6.561 -7.517 6.152 760 HA ALA 100 HA ALA 100 -9.339 -7.789 5.904 761 HB1 ALA 100 HB1 ALA 100 -7.557 -8.357 8.319 762 HB2 ALA 100 HB2 ALA 100 -9.123 -9.104 7.958 763 HB3 ALA 100 HB3 ALA 100 -7.733 -9.419 6.908 764 H ASP 101 HN ASP 101 -7.444 -5.785 8.125 765 HA ASP 101 HA ASP 101 -9.553 -4.614 9.635 766 HB2 ASP 101 HB2 ASP 101 -7.108 -4.772 10.166 767 HB3 ASP 101 HB3 ASP 101 -6.784 -3.577 8.920 768 H TYR 102 HN TYR 102 -7.731 -3.313 6.755 769 HA TYR 102 HA TYR 102 -9.339 -0.994 6.446 770 HB2 TYR 102 HB2 TYR 102 -7.367 -2.545 4.778 771 HB3 TYR 102 HB3 TYR 102 -8.470 -1.553 3.883 772 HD1 TYR 102 HD1 TYR 102 -8.738 0.887 5.723 773 HD2 TYR 102 HD2 TYR 102 -5.361 -1.399 4.267 774 HE1 TYR 102 HE1 TYR 102 -7.348 2.869 5.839 775 HE2 TYR 102 HE2 TYR 102 -3.992 0.684 4.284 776 HH TYR 102 HH TYR 102 -5.230 3.693 5.764 777 H LEU 103 HN LEU 103 -9.942 -4.301 5.399 778 HA LEU 103 HA LEU 103 -12.009 -3.721 3.469 779 HB2 LEU 103 HB2 LEU 103 -11.157 -6.102 5.102 780 HB3 LEU 103 HB3 LEU 103 -12.781 -6.095 4.478 781 HG LEU 103 HG LEU 103 -12.168 -6.676 2.438 782 HD11 LEU 103 HD11 LEU 103 -9.777 -4.812 2.523 783 HD12 LEU 103 HD12 LEU 103 -11.347 -4.605 1.625 784 HD13 LEU 103 HD13 LEU 103 -10.198 -5.844 1.149 785 HD21 LEU 103 HD21 LEU 103 -10.808 -8.210 3.828 786 HD22 LEU 103 HD22 LEU 103 -9.407 -7.143 3.566 787 HD23 LEU 103 HD23 LEU 103 -10.159 -7.960 2.195 788 H ALA 104 HN ALA 104 -12.141 -4.362 7.011 789 HA ALA 104 HA ALA 104 -14.973 -4.177 7.149 790 HB1 ALA 104 HB1 ALA 104 -12.803 -3.685 9.207 791 HB2 ALA 104 HB2 ALA 104 -14.537 -3.764 9.594 792 HB3 ALA 104 HB3 ALA 104 -13.714 -5.180 8.927 793 H GLU 105 HN GLU 105 -12.455 -1.672 7.292 794 HA GLU 105 HA GLU 105 -14.098 0.524 8.037 795 HB2 GLU 105 HB2 GLU 105 -11.511 0.216 6.521 796 HB3 GLU 105 HB3 GLU 105 -12.293 1.793 6.643 797 HG2 GLU 105 HG2 GLU 105 -12.000 0.224 9.198 798 HG3 GLU 105 HG3 GLU 105 -10.554 0.877 8.470 799 H LEU 106 HN LEU 106 -13.092 -0.604 4.763 800 HA LEU 106 HA LEU 106 -14.815 1.179 3.303 801 HB2 LEU 106 HB2 LEU 106 -13.004 -1.113 2.714 802 HB3 LEU 106 HB3 LEU 106 -14.479 -1.233 1.810 803 HG LEU 106 HG LEU 106 -13.071 -0.061 0.307 804 HD11 LEU 106 HD11 LEU 106 -14.287 2.328 1.599 805 HD12 LEU 106 HD12 LEU 106 -15.307 1.042 0.920 806 HD13 LEU 106 HD13 LEU 106 -14.136 1.855 -0.113 807 HD21 LEU 106 HD21 LEU 106 -12.185 1.782 2.514 808 HD22 LEU 106 HD22 LEU 106 -11.605 1.749 0.843 809 HD23 LEU 106 HD23 LEU 106 -11.247 0.400 1.944 810 H ALA 107 HN ALA 107 -15.439 -1.981 4.664 811 HA ALA 107 HA ALA 107 -17.844 -2.624 3.347 812 HB1 ALA 107 HB1 ALA 107 -18.276 -4.045 5.287 813 HB2 ALA 107 HB2 ALA 107 -16.526 -4.128 4.917 814 HB3 ALA 107 HB3 ALA 107 -17.146 -3.142 6.274 815 H SER 108 HN SER 108 -17.243 -0.675 6.249 816 HA SER 108 HA SER 108 -20.129 -0.335 6.716 817 HB2 SER 108 HB2 SER 108 -17.658 0.127 8.406 818 HB3 SER 108 HB3 SER 108 -19.340 0.189 8.971 819 HG SER 108 HG SER 108 -18.432 -1.796 9.444 820 H ALA 109 HN ALA 109 -17.281 1.581 5.797 821 HA ALA 109 HA ALA 109 -18.418 4.130 6.416 822 HB1 ALA 109 HB1 ALA 109 -16.356 3.374 4.308 823 HB2 ALA 109 HB2 ALA 109 -16.683 5.022 4.887 824 HB3 ALA 109 HB3 ALA 109 -16.005 3.810 5.996 825 H GLY 110 HN GLY 110 -19.612 1.885 4.232 826 HA2 GLY 110 HA2 GLY 110 -21.025 1.983 2.441 827 HA3 GLY 110 HA1 GLY 110 -21.474 3.610 2.982 828 H LYS 111 HN LYS 111 -18.316 2.242 1.829 829 HA LYS 111 HA LYS 111 -18.534 3.799 -0.648 830 HB2 LYS 111 HB2 LYS 111 -15.874 3.551 0.745 831 HB3 LYS 111 HB3 LYS 111 -16.303 4.592 -0.590 832 HG2 LYS 111 HG2 LYS 111 -17.316 4.973 2.255 833 HG3 LYS 111 HG3 LYS 111 -15.866 5.730 1.641 834 HD2 LYS 111 HD2 LYS 111 -17.016 7.032 0.050 835 HD3 LYS 111 HD3 LYS 111 -18.478 6.059 0.122 836 HE2 LYS 111 HE2 LYS 111 -17.565 7.208 2.716 837 HE3 LYS 111 HE3 LYS 111 -18.056 8.384 1.493 838 HZ1 LYS 111 HZ1 LYS 111 -19.996 7.866 2.633 839 HZ2 LYS 111 HZ2 LYS 111 -19.672 6.239 2.709 840 HZ3 LYS 111 HZ3 LYS 111 -20.121 6.938 1.290 841 H SER 112 HN SER 112 -16.471 2.783 -2.043 842 HA SER 112 HA SER 112 -15.820 0.111 -1.091 843 HB2 SER 112 HB2 SER 112 -16.967 0.639 -3.836 844 HB3 SER 112 HB3 SER 112 -16.555 -0.967 -3.164 845 HG SER 112 HG SER 112 -18.651 0.822 -2.557 846 H ARG 113 HN ARG 113 -14.147 -0.895 -2.028 847 HA ARG 113 HA ARG 113 -11.887 0.570 -2.936 848 HB2 ARG 113 HB2 ARG 113 -12.778 -2.327 -3.468 849 HB3 ARG 113 HB3 ARG 113 -11.188 -1.725 -3.862 850 HG2 ARG 113 HG2 ARG 113 -11.606 -0.966 -1.155 851 HG3 ARG 113 HG3 ARG 113 -12.318 -2.583 -1.302 852 HD2 ARG 113 HD2 ARG 113 -10.153 -3.404 -2.224 853 HD3 ARG 113 HD3 ARG 113 -9.458 -1.791 -1.985 854 HE ARG 113 HE ARG 113 -10.305 -3.771 -0.001 855 HH11 ARG 113 HH11 ARG 113 -8.450 -0.816 -0.408 856 HH12 ARG 113 HH12 ARG 113 -8.780 -0.159 1.180 857 HH21 ARG 113 HH21 ARG 113 -10.630 -2.996 2.199 858 HH22 ARG 113 HH22 ARG 113 -10.092 -1.449 2.704 859 H ASP 114 HN ASP 114 -14.445 -1.158 -4.624 860 HA ASP 114 HA ASP 114 -13.364 -0.738 -7.293 861 HB2 ASP 114 HB2 ASP 114 -15.784 -1.957 -6.125 862 HB3 ASP 114 HB3 ASP 114 -16.090 -1.069 -7.610 863 HA PRO 115 HA PRO 115 -14.870 3.420 -7.590 864 HB2 PRO 115 HB2 PRO 115 -14.933 3.840 -10.306 865 HB3 PRO 115 HB3 PRO 115 -13.388 3.607 -9.425 866 HG2 PRO 115 HG2 PRO 115 -14.999 1.514 -10.927 867 HG3 PRO 115 HG3 PRO 115 -13.257 1.855 -11.056 868 HD2 PRO 115 HD2 PRO 115 -14.224 -0.142 -9.481 869 HD3 PRO 115 HD3 PRO 115 -12.798 0.799 -8.984 870 H ASP 116 HN ASP 116 -16.590 0.798 -9.229 871 HA ASP 116 HA ASP 116 -19.084 2.154 -8.380 872 HB2 ASP 116 HB2 ASP 116 -18.500 2.556 -10.881 873 HB3 ASP 116 HB3 ASP 116 -18.980 0.892 -11.137 874 H GLU 117 HN GLU 117 -18.603 0.549 -6.671 875 HA GLU 117 HA GLU 117 -19.252 -2.214 -7.218 876 HB2 GLU 117 HB2 GLU 117 -17.796 -0.856 -5.327 877 HB3 GLU 117 HB3 GLU 117 -19.268 -1.202 -4.424 878 HG2 GLU 117 HG2 GLU 117 -17.912 -3.427 -5.942 879 HG3 GLU 117 HG3 GLU 117 -17.127 -2.809 -4.492 880 H SER 118 HN SER 118 -21.006 -3.268 -5.670 881 HA SER 118 HA SER 118 -23.476 -1.677 -5.527 882 HB2 SER 118 HB2 SER 118 -23.387 -4.307 -6.976 883 HB3 SER 118 HB3 SER 118 -24.700 -3.124 -6.900 884 HG SER 118 HG SER 118 -23.766 -2.005 -8.465 885 H VAL 119 HN VAL 119 -22.986 -1.933 -3.261 886 HA VAL 119 HA VAL 119 -23.105 -4.495 -1.946 887 HB VAL 119 HB VAL 119 -22.022 -2.805 -0.789 888 HG11 VAL 119 HG11 VAL 119 -23.019 -0.618 -0.148 889 HG12 VAL 119 HG12 VAL 119 -22.774 -0.796 -1.888 890 HG13 VAL 119 HG13 VAL 119 -24.402 -0.967 -1.203 891 HG21 VAL 119 HG21 VAL 119 -23.123 -2.662 1.313 892 HG22 VAL 119 HG22 VAL 119 -24.732 -2.837 0.584 893 HG23 VAL 119 HG23 VAL 119 -23.602 -4.207 0.601 894 H VAL 120 HN VAL 120 -24.851 -5.710 -2.575 895 HA VAL 120 HA VAL 120 -27.549 -4.516 -2.173 896 HB VAL 120 HB VAL 120 -26.759 -4.780 -4.526 897 HG11 VAL 120 HG11 VAL 120 -27.038 -7.762 -3.981 898 HG12 VAL 120 HG12 VAL 120 -26.793 -6.996 -5.561 899 HG13 VAL 120 HG13 VAL 120 -25.529 -6.882 -4.333 900 HG21 VAL 120 HG21 VAL 120 -28.834 -5.559 -5.436 901 HG22 VAL 120 HG22 VAL 120 -29.264 -6.394 -3.942 902 HG23 VAL 120 HG23 VAL 120 -29.161 -4.615 -3.977 903 H LYS 121 HN LYS 121 -25.789 -6.188 -0.360 904 HA LYS 121 HA LYS 121 -27.632 -8.418 0.277 905 HB2 LYS 121 HB2 LYS 121 -25.116 -7.297 1.591 906 HB3 LYS 121 HB3 LYS 121 -26.113 -8.555 2.342 907 HG2 LYS 121 HG2 LYS 121 -25.821 -10.033 0.426 908 HG3 LYS 121 HG3 LYS 121 -24.926 -8.778 -0.444 909 HD2 LYS 121 HD2 LYS 121 -23.126 -8.833 1.150 910 HD3 LYS 121 HD3 LYS 121 -23.991 -9.930 2.242 911 HE2 LYS 121 HE2 LYS 121 -23.497 -10.742 -0.626 912 HE3 LYS 121 HE3 LYS 121 -22.139 -10.799 0.496 913 HZ1 LYS 121 HZ1 LYS 121 -24.683 -12.141 1.142 914 HZ2 LYS 121 HZ2 LYS 121 -23.172 -12.419 1.750 915 HZ3 LYS 121 HZ3 LYS 121 -23.499 -12.864 0.222 916 H LEU 122 HN LEU 122 -28.360 -8.398 2.600 917 HA LEU 122 HA LEU 122 -28.624 -5.836 3.914 918 HB2 LEU 122 HB2 LEU 122 -30.774 -6.090 2.561 919 HB3 LEU 122 HB3 LEU 122 -31.116 -7.556 3.462 920 HG LEU 122 HG LEU 122 -32.381 -5.676 4.301 921 HD11 LEU 122 HD11 LEU 122 -31.572 -7.385 5.978 922 HD12 LEU 122 HD12 LEU 122 -32.013 -5.801 6.640 923 HD13 LEU 122 HD13 LEU 122 -30.313 -6.214 6.456 924 HD21 LEU 122 HD21 LEU 122 -31.404 -3.691 5.295 925 HD22 LEU 122 HD22 LEU 122 -30.831 -3.861 3.627 926 HD23 LEU 122 HD23 LEU 122 -29.769 -4.277 4.989 927 H MET 123 HN MET 123 -27.430 -6.505 5.649 928 HA MET 123 HA MET 123 -28.161 -9.063 6.980 929 HB2 MET 123 HB2 MET 123 -25.774 -9.607 7.268 930 HB3 MET 123 HB3 MET 123 -26.304 -9.657 5.588 931 HG2 MET 123 HG2 MET 123 -25.277 -7.487 5.136 932 HG3 MET 123 HG3 MET 123 -24.795 -7.317 6.827 933 HE1 MET 123 HE1 MET 123 -22.550 -8.149 7.774 934 HE2 MET 123 HE2 MET 123 -23.509 -9.633 7.948 935 HE3 MET 123 HE3 MET 123 -21.862 -9.717 7.293 936 H LEU 124 HN LEU 124 -27.997 -5.814 7.269 937 HA LEU 124 HA LEU 124 -28.218 -5.750 10.061 938 HB2 LEU 124 HB2 LEU 124 -25.590 -5.588 9.511 939 HB3 LEU 124 HB3 LEU 124 -26.038 -4.016 8.842 940 HG LEU 124 HG LEU 124 -27.173 -3.565 11.169 941 HD11 LEU 124 HD11 LEU 124 -25.405 -5.969 11.826 942 HD12 LEU 124 HD12 LEU 124 -27.166 -5.866 12.009 943 HD13 LEU 124 HD13 LEU 124 -26.114 -4.877 13.022 944 HD21 LEU 124 HD21 LEU 124 -25.051 -2.849 12.111 945 HD22 LEU 124 HD22 LEU 124 -25.126 -2.482 10.381 946 HD23 LEU 124 HD23 LEU 124 -24.174 -3.882 10.943 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 22.890 -1.908 10.625 2 HA2 GLY 1 HA2 GLY 1 22.517 0.025 9.240 3 HA3 GLY 1 HA1 GLY 1 23.136 -1.296 8.241 4 H MET 2 HN MET 2 19.907 -0.356 9.589 5 HA MET 2 HA MET 2 17.907 -0.076 8.765 6 HB2 MET 2 HB2 MET 2 19.372 0.582 6.195 7 HB3 MET 2 HB3 MET 2 17.656 0.863 6.443 8 HG2 MET 2 HG2 MET 2 19.888 2.065 8.101 9 HG3 MET 2 HG3 MET 2 19.074 2.857 6.760 10 HE1 MET 2 HE1 MET 2 17.187 4.591 7.171 11 HE2 MET 2 HE2 MET 2 16.355 3.080 6.745 12 HE3 MET 2 HE3 MET 2 15.752 4.072 8.086 13 H ARG 3 HN ARG 3 16.262 -0.786 7.297 14 HA ARG 3 HA ARG 3 16.476 -3.662 6.555 15 HB2 ARG 3 HB2 ARG 3 14.153 -1.787 7.120 16 HB3 ARG 3 HB3 ARG 3 13.904 -3.270 6.223 17 HG2 ARG 3 HG2 ARG 3 15.313 -3.436 8.909 18 HG3 ARG 3 HG3 ARG 3 13.567 -3.177 8.829 19 HD2 ARG 3 HD2 ARG 3 13.843 -5.505 8.998 20 HD3 ARG 3 HD3 ARG 3 13.353 -5.140 7.315 21 HE ARG 3 HE ARG 3 15.724 -5.341 6.692 22 HH11 ARG 3 HH11 ARG 3 13.994 -7.495 8.885 23 HH12 ARG 3 HH12 ARG 3 15.016 -8.855 8.580 24 HH21 ARG 3 HH21 ARG 3 17.097 -7.097 6.249 25 HH22 ARG 3 HH22 ARG 3 16.854 -8.588 7.101 26 H ILE 4 HN ILE 4 17.751 -3.192 4.739 27 HA ILE 4 HA ILE 4 16.457 -1.549 2.597 28 HB ILE 4 HB ILE 4 19.397 -2.068 3.082 29 HG12 ILE 4 HG12 ILE 4 17.665 0.442 2.990 30 HG13 ILE 4 HG13 ILE 4 18.258 -0.330 4.447 31 HG21 ILE 4 HG21 ILE 4 18.834 -2.135 0.594 32 HG22 ILE 4 HG22 ILE 4 18.133 -0.511 0.776 33 HG23 ILE 4 HG23 ILE 4 19.867 -0.792 1.047 34 HD11 ILE 4 HD11 ILE 4 20.607 0.130 3.691 35 HD12 ILE 4 HD12 ILE 4 19.934 1.079 2.340 36 HD13 ILE 4 HD13 ILE 4 19.631 1.586 4.001 37 HA PRO 5 HA PRO 5 15.757 -5.466 0.795 38 HB2 PRO 5 HB2 PRO 5 14.978 -4.762 -1.765 39 HB3 PRO 5 HB3 PRO 5 13.932 -4.512 -0.348 40 HG2 PRO 5 HG2 PRO 5 15.743 -2.530 -1.731 41 HG3 PRO 5 HG3 PRO 5 14.068 -2.301 -1.117 42 HD2 PRO 5 HD2 PRO 5 16.251 -1.460 0.269 43 HD3 PRO 5 HD3 PRO 5 14.803 -2.093 1.090 44 H SER 6 HN SER 6 16.683 -7.044 -0.416 45 HA SER 6 HA SER 6 18.943 -6.375 -2.230 46 HB2 SER 6 HB2 SER 6 17.759 -8.994 -1.244 47 HB3 SER 6 HB3 SER 6 19.158 -8.829 -2.302 48 HG SER 6 HG SER 6 19.493 -7.264 -0.113 49 H ALA 7 HN ALA 7 15.544 -6.609 -2.451 50 HA ALA 7 HA ALA 7 15.718 -7.046 -5.383 51 HB1 ALA 7 HB1 ALA 7 15.001 -9.157 -4.373 52 HB2 ALA 7 HB2 ALA 7 13.707 -8.326 -3.480 53 HB3 ALA 7 HB3 ALA 7 13.658 -8.402 -5.258 54 H ILE 8 HN ILE 8 14.793 -5.402 -6.437 55 HA ILE 8 HA ILE 8 12.369 -4.173 -5.262 56 HB ILE 8 HB ILE 8 14.212 -2.751 -7.173 57 HG12 ILE 8 HG12 ILE 8 15.164 -2.710 -4.920 58 HG13 ILE 8 HG13 ILE 8 14.653 -1.128 -5.499 59 HG21 ILE 8 HG21 ILE 8 12.570 -0.859 -6.779 60 HG22 ILE 8 HG22 ILE 8 11.900 -2.226 -7.671 61 HG23 ILE 8 HG23 ILE 8 11.499 -2.049 -5.970 62 HD11 ILE 8 HD11 ILE 8 13.157 -2.840 -3.498 63 HD12 ILE 8 HD12 ILE 8 14.079 -1.345 -3.189 64 HD13 ILE 8 HD13 ILE 8 12.594 -1.275 -4.137 65 H GLN 9 HN GLN 9 10.648 -4.967 -6.312 66 HA GLN 9 HA GLN 9 10.633 -5.291 -9.228 67 HB2 GLN 9 HB2 GLN 9 10.616 -7.551 -7.258 68 HB3 GLN 9 HB3 GLN 9 9.303 -7.587 -8.429 69 HG2 GLN 9 HG2 GLN 9 10.687 -7.856 -10.252 70 HG3 GLN 9 HG3 GLN 9 12.072 -7.109 -9.471 71 HE21 GLN 9 HE21 GLN 9 9.932 -10.047 -8.863 72 HE22 GLN 9 HE22 GLN 9 11.319 -11.091 -8.568 73 H LEU 10 HN LEU 10 8.962 -3.907 -9.611 74 HA LEU 10 HA LEU 10 6.656 -3.780 -7.774 75 HB2 LEU 10 HB2 LEU 10 5.903 -1.982 -8.949 76 HB3 LEU 10 HB3 LEU 10 7.618 -1.712 -8.907 77 HG LEU 10 HG LEU 10 5.975 -2.693 -11.307 78 HD11 LEU 10 HD11 LEU 10 6.600 -0.504 -12.297 79 HD12 LEU 10 HD12 LEU 10 7.343 -0.026 -10.757 80 HD13 LEU 10 HD13 LEU 10 5.601 -0.338 -10.866 81 HD21 LEU 10 HD21 LEU 10 8.217 -3.650 -11.444 82 HD22 LEU 10 HD22 LEU 10 8.955 -2.066 -11.144 83 HD23 LEU 10 HD23 LEU 10 8.025 -2.382 -12.639 84 H HIS 11 HN HIS 11 7.649 -5.772 -10.247 85 HA HIS 11 HA HIS 11 6.770 -6.960 -11.891 86 HB2 HIS 11 HB2 HIS 11 4.834 -7.514 -9.655 87 HB3 HIS 11 HB3 HIS 11 4.677 -8.290 -11.232 88 HD1 HIS 11 HD1 HIS 11 6.561 -10.048 -11.942 89 HD2 HIS 11 HD2 HIS 11 6.875 -8.269 -8.141 90 HE1 HIS 11 HE1 HIS 11 8.364 -11.354 -10.692 91 H LYS 12 HN LYS 12 6.458 -4.901 -13.178 92 HA LYS 12 HA LYS 12 3.842 -3.761 -13.309 93 HB2 LYS 12 HB2 LYS 12 6.323 -3.173 -14.439 94 HB3 LYS 12 HB3 LYS 12 5.322 -3.549 -15.840 95 HG2 LYS 12 HG2 LYS 12 4.108 -1.712 -13.783 96 HG3 LYS 12 HG3 LYS 12 5.519 -1.090 -14.623 97 HD2 LYS 12 HD2 LYS 12 4.526 -1.271 -16.761 98 HD3 LYS 12 HD3 LYS 12 3.170 -2.227 -16.175 99 HE2 LYS 12 HE2 LYS 12 3.724 0.695 -15.463 100 HE3 LYS 12 HE3 LYS 12 2.597 0.139 -16.708 101 HZ1 LYS 12 HZ1 LYS 12 1.269 0.494 -14.801 102 HZ2 LYS 12 HZ2 LYS 12 2.337 -0.250 -13.797 103 HZ3 LYS 12 HZ3 LYS 12 1.490 -1.129 -14.847 104 H ALA 13 HN ALA 13 4.865 -6.841 -14.330 105 HA ALA 13 HA ALA 13 2.662 -7.523 -16.050 106 HB1 ALA 13 HB1 ALA 13 4.478 -9.075 -15.741 107 HB2 ALA 13 HB2 ALA 13 4.252 -9.106 -13.984 108 HB3 ALA 13 HB3 ALA 13 3.021 -9.803 -15.058 109 H SER 14 HN SER 14 2.772 -8.516 -12.575 110 HA SER 14 HA SER 14 -0.149 -8.480 -12.634 111 HB2 SER 14 HB2 SER 14 1.681 -10.262 -11.756 112 HB3 SER 14 HB3 SER 14 1.340 -9.451 -10.229 113 HG SER 14 HG SER 14 -0.402 -10.815 -12.016 114 H LYS 15 HN LYS 15 2.116 -6.262 -11.546 115 HA LYS 15 HA LYS 15 2.241 -4.485 -10.331 116 HB2 LYS 15 HB2 LYS 15 -0.756 -4.629 -9.979 117 HB3 LYS 15 HB3 LYS 15 0.302 -3.234 -9.748 118 HG2 LYS 15 HG2 LYS 15 -0.012 -2.766 -11.954 119 HG3 LYS 15 HG3 LYS 15 0.877 -4.152 -12.332 120 HD2 LYS 15 HD2 LYS 15 -1.277 -4.035 -13.474 121 HD3 LYS 15 HD3 LYS 15 -0.982 -5.551 -12.659 122 HE2 LYS 15 HE2 LYS 15 -2.205 -3.676 -10.914 123 HE3 LYS 15 HE3 LYS 15 -3.194 -3.731 -12.382 124 HZ1 LYS 15 HZ1 LYS 15 -2.429 -6.153 -10.833 125 HZ2 LYS 15 HZ2 LYS 15 -3.435 -6.087 -12.120 126 HZ3 LYS 15 HZ3 LYS 15 -3.873 -5.387 -10.693 127 H THR 16 HN THR 16 3.410 -6.114 -9.046 128 HA THR 16 HA THR 16 2.288 -6.338 -6.326 129 HB THR 16 HB THR 16 3.739 -8.513 -7.911 130 HG1 THR 16 HG1 THR 16 1.662 -9.523 -7.769 131 HG21 THR 16 HG21 THR 16 2.961 -9.965 -6.046 132 HG22 THR 16 HG22 THR 16 2.438 -8.522 -5.162 133 HG23 THR 16 HG23 THR 16 4.168 -8.756 -5.556 134 H LEU 17 HN LEU 17 3.658 -5.351 -4.965 135 HA LEU 17 HA LEU 17 6.448 -4.763 -5.743 136 HB2 LEU 17 HB2 LEU 17 5.071 -3.019 -4.565 137 HB3 LEU 17 HB3 LEU 17 4.985 -4.123 -3.184 138 HG LEU 17 HG LEU 17 7.513 -4.079 -3.057 139 HD11 LEU 17 HD11 LEU 17 7.239 -1.805 -5.076 140 HD12 LEU 17 HD12 LEU 17 8.076 -3.349 -5.340 141 HD13 LEU 17 HD13 LEU 17 8.710 -2.224 -4.146 142 HD21 LEU 17 HD21 LEU 17 6.141 -2.672 -1.593 143 HD22 LEU 17 HD22 LEU 17 6.116 -1.388 -2.824 144 HD23 LEU 17 HD23 LEU 17 7.640 -1.841 -2.028 145 H THR 18 HN THR 18 8.008 -6.220 -5.248 146 HA THR 18 HA THR 18 7.271 -8.522 -3.504 147 HB THR 18 HB THR 18 8.757 -8.166 -6.099 148 HG1 THR 18 HG1 THR 18 6.689 -9.991 -5.660 149 HG21 THR 18 HG21 THR 18 10.043 -9.841 -4.911 150 HG22 THR 18 HG22 THR 18 9.097 -10.604 -6.178 151 HG23 THR 18 HG23 THR 18 8.566 -10.724 -4.487 152 H LEU 19 HN LEU 19 8.284 -8.528 -1.615 153 HA LEU 19 HA LEU 19 10.922 -7.150 -1.346 154 HB2 LEU 19 HB2 LEU 19 8.432 -7.060 0.415 155 HB3 LEU 19 HB3 LEU 19 9.990 -6.397 0.892 156 HG LEU 19 HG LEU 19 8.337 -5.468 -1.475 157 HD11 LEU 19 HD11 LEU 19 7.990 -3.419 -0.145 158 HD12 LEU 19 HD12 LEU 19 8.905 -4.124 1.209 159 HD13 LEU 19 HD13 LEU 19 7.360 -4.822 0.709 160 HD21 LEU 19 HD21 LEU 19 9.906 -3.660 -1.740 161 HD22 LEU 19 HD22 LEU 19 10.834 -5.137 -1.812 162 HD23 LEU 19 HD23 LEU 19 10.863 -4.188 -0.324 163 H ARG 20 HN ARG 20 12.444 -8.451 -0.687 164 HA ARG 20 HA ARG 20 11.730 -11.008 0.597 165 HB2 ARG 20 HB2 ARG 20 13.301 -10.982 -1.306 166 HB3 ARG 20 HB3 ARG 20 14.427 -9.987 -0.404 167 HG2 ARG 20 HG2 ARG 20 14.658 -11.856 1.285 168 HG3 ARG 20 HG3 ARG 20 13.428 -12.765 0.400 169 HD2 ARG 20 HD2 ARG 20 15.507 -13.666 -0.257 170 HD3 ARG 20 HD3 ARG 20 14.945 -12.715 -1.637 171 HE ARG 20 HE ARG 20 16.524 -10.987 -0.131 172 HH11 ARG 20 HH11 ARG 20 17.156 -14.214 -1.445 173 HH12 ARG 20 HH12 ARG 20 18.858 -13.999 -1.541 174 HH21 ARG 20 HH21 ARG 20 18.767 -10.741 -0.187 175 HH22 ARG 20 HH22 ARG 20 19.774 -11.902 -0.982 176 H TYR 21 HN TYR 21 11.066 -10.290 2.733 177 HA TYR 21 HA TYR 21 12.682 -8.515 4.363 178 HB2 TYR 21 HB2 TYR 21 10.182 -8.862 4.622 179 HB3 TYR 21 HB3 TYR 21 10.514 -10.498 5.143 180 HD1 TYR 21 HD1 TYR 21 11.854 -10.895 7.315 181 HD2 TYR 21 HD2 TYR 21 10.278 -7.004 6.209 182 HE1 TYR 21 HE1 TYR 21 12.327 -10.047 9.573 183 HE2 TYR 21 HE2 TYR 21 10.744 -6.182 8.462 184 HH TYR 21 HH TYR 21 11.440 -6.775 10.645 185 H GLY 22 HN GLY 22 14.747 -9.233 4.807 186 HA2 GLY 22 HA2 GLY 22 16.307 -10.459 5.993 187 HA3 GLY 22 HA1 GLY 22 14.997 -11.429 6.677 188 H GLU 23 HN GLU 23 14.295 -13.215 5.544 189 HA GLU 23 HA GLU 23 15.991 -14.236 3.313 190 HB2 GLU 23 HB2 GLU 23 14.903 -15.849 5.653 191 HB3 GLU 23 HB3 GLU 23 15.781 -16.472 4.246 192 HG2 GLU 23 HG2 GLU 23 17.596 -14.741 4.999 193 HG3 GLU 23 HG3 GLU 23 16.813 -14.841 6.571 194 H ASP 24 HN ASP 24 12.899 -13.212 4.113 195 HA ASP 24 HA ASP 24 11.547 -15.491 2.775 196 HB2 ASP 24 HB2 ASP 24 10.697 -13.657 5.022 197 HB3 ASP 24 HB3 ASP 24 9.607 -14.761 4.168 198 H SER 25 HN SER 25 10.109 -15.148 1.138 199 HA SER 25 HA SER 25 10.154 -12.438 -0.008 200 HB2 SER 25 HB2 SER 25 9.137 -14.250 -1.904 201 HB3 SER 25 HB3 SER 25 10.734 -13.528 -1.842 202 HG SER 25 HG SER 25 11.585 -15.271 -0.899 203 H TYR 26 HN TYR 26 8.495 -11.200 0.399 204 HA TYR 26 HA TYR 26 5.734 -12.284 0.520 205 HB2 TYR 26 HB2 TYR 26 6.840 -9.728 1.734 206 HB3 TYR 26 HB3 TYR 26 5.257 -10.441 2.017 207 HD1 TYR 26 HD1 TYR 26 6.374 -13.365 2.348 208 HD2 TYR 26 HD2 TYR 26 7.600 -9.604 3.970 209 HE1 TYR 26 HE1 TYR 26 7.194 -14.539 4.346 210 HE2 TYR 26 HE2 TYR 26 8.431 -10.767 6.039 211 HH TYR 26 HH TYR 26 8.118 -14.319 6.460 212 H ASP 27 HN ASP 27 4.242 -11.302 -0.845 213 HA ASP 27 HA ASP 27 5.354 -9.446 -2.911 214 HB2 ASP 27 HB2 ASP 27 4.111 -12.189 -3.053 215 HB3 ASP 27 HB3 ASP 27 3.844 -11.063 -4.360 216 H LEU 28 HN LEU 28 4.256 -7.640 -2.363 217 HA LEU 28 HA LEU 28 1.501 -7.843 -1.378 218 HB2 LEU 28 HB2 LEU 28 3.484 -5.517 -1.493 219 HB3 LEU 28 HB3 LEU 28 1.931 -5.525 -0.666 220 HG LEU 28 HG LEU 28 3.074 -7.781 0.402 221 HD11 LEU 28 HD11 LEU 28 5.255 -7.445 -0.715 222 HD12 LEU 28 HD12 LEU 28 5.345 -7.441 1.032 223 HD13 LEU 28 HD13 LEU 28 5.422 -5.897 0.135 224 HD21 LEU 28 HD21 LEU 28 3.560 -4.984 1.508 225 HD22 LEU 28 HD22 LEU 28 3.374 -6.505 2.412 226 HD23 LEU 28 HD23 LEU 28 1.995 -5.829 1.577 227 HA PRO 29 HA PRO 29 -0.073 -6.111 -5.195 228 HB2 PRO 29 HB2 PRO 29 -2.623 -5.407 -4.486 229 HB3 PRO 29 HB3 PRO 29 -2.091 -7.112 -4.602 230 HG2 PRO 29 HG2 PRO 29 -2.286 -5.394 -2.138 231 HG3 PRO 29 HG3 PRO 29 -2.894 -7.054 -2.372 232 HD2 PRO 29 HD2 PRO 29 -0.494 -6.529 -1.157 233 HD3 PRO 29 HD3 PRO 29 -0.733 -7.978 -2.185 234 H ALA 30 HN ALA 30 -0.556 -4.092 -6.201 235 HA ALA 30 HA ALA 30 0.685 -1.857 -5.088 236 HB1 ALA 30 HB1 ALA 30 -1.482 -1.848 -7.250 237 HB2 ALA 30 HB2 ALA 30 -0.279 -0.597 -6.953 238 HB3 ALA 30 HB3 ALA 30 0.262 -2.195 -7.519 239 H GLU 31 HN GLU 31 -2.756 -2.722 -5.232 240 HA GLU 31 HA GLU 31 -4.020 -0.516 -4.154 241 HB2 GLU 31 HB2 GLU 31 -5.237 -2.347 -5.041 242 HB3 GLU 31 HB3 GLU 31 -4.513 -3.483 -3.949 243 HG2 GLU 31 HG2 GLU 31 -5.731 -2.603 -2.028 244 HG3 GLU 31 HG3 GLU 31 -6.302 -1.225 -2.954 245 H PHE 32 HN PHE 32 -2.748 -3.313 -2.228 246 HA PHE 32 HA PHE 32 -3.365 -2.353 0.324 247 HB2 PHE 32 HB2 PHE 32 -2.591 -4.592 0.060 248 HB3 PHE 32 HB3 PHE 32 -1.090 -4.074 -0.707 249 HD1 PHE 32 HD2 PHE 32 -2.838 -4.417 2.546 250 HD2 PHE 32 HD1 PHE 32 0.839 -3.322 0.558 251 HE1 PHE 32 HE2 PHE 32 -1.636 -4.523 4.693 252 HE2 PHE 32 HE1 PHE 32 2.018 -3.403 2.709 253 HZ PHE 32 HZ PHE 32 0.800 -3.994 4.803 254 H LEU 33 HN LEU 33 -0.380 -1.770 -1.608 255 HA LEU 33 HA LEU 33 0.923 -0.245 0.382 256 HB2 LEU 33 HB2 LEU 33 1.214 -0.532 -2.617 257 HB3 LEU 33 HB3 LEU 33 2.051 0.768 -1.788 258 HG LEU 33 HG LEU 33 2.462 -1.647 -0.242 259 HD11 LEU 33 HD11 LEU 33 3.315 -1.900 -3.153 260 HD12 LEU 33 HD12 LEU 33 2.047 -2.866 -2.367 261 HD13 LEU 33 HD13 LEU 33 3.710 -2.994 -1.796 262 HD21 LEU 33 HD21 LEU 33 4.376 -0.056 -1.974 263 HD22 LEU 33 HD22 LEU 33 4.772 -1.052 -0.547 264 HD23 LEU 33 HD23 LEU 33 3.845 0.444 -0.358 265 H ARG 34 HN ARG 34 -1.060 0.828 -2.411 266 HA ARG 34 HA ARG 34 -0.923 3.603 -2.039 267 HB2 ARG 34 HB2 ARG 34 -1.865 2.553 -4.017 268 HB3 ARG 34 HB3 ARG 34 -3.144 1.805 -3.081 269 HG2 ARG 34 HG2 ARG 34 -4.054 3.598 -4.285 270 HG3 ARG 34 HG3 ARG 34 -4.136 4.043 -2.591 271 HD2 ARG 34 HD2 ARG 34 -1.796 4.888 -4.325 272 HD3 ARG 34 HD3 ARG 34 -3.330 5.747 -4.469 273 HE ARG 34 HE ARG 34 -2.925 5.880 -1.784 274 HH11 ARG 34 HH11 ARG 34 -0.929 6.758 -4.597 275 HH12 ARG 34 HH12 ARG 34 -0.030 7.951 -3.776 276 HH21 ARG 34 HH21 ARG 34 -1.977 7.796 -0.814 277 HH22 ARG 34 HH22 ARG 34 -0.712 8.626 -1.642 278 H VAL 35 HN VAL 35 -3.414 1.347 -0.688 279 HA VAL 35 HA VAL 35 -4.722 3.511 0.681 280 HB VAL 35 HB VAL 35 -6.124 1.896 1.731 281 HG11 VAL 35 HG11 VAL 35 -5.573 1.130 -1.174 282 HG12 VAL 35 HG12 VAL 35 -7.093 0.937 -0.294 283 HG13 VAL 35 HG13 VAL 35 -6.472 2.562 -0.646 284 HG21 VAL 35 HG21 VAL 35 -4.335 -0.291 0.600 285 HG22 VAL 35 HG22 VAL 35 -4.551 0.096 2.315 286 HG23 VAL 35 HG23 VAL 35 -5.908 -0.525 1.377 287 H HIS 36 HN HIS 36 -2.227 1.159 1.935 288 HA HIS 36 HA HIS 36 -2.422 2.372 4.562 289 HB2 HIS 36 HB2 HIS 36 -1.629 -0.001 4.020 290 HB3 HIS 36 HB3 HIS 36 -0.092 0.723 3.589 291 HD1 HIS 36 HD1 HIS 36 0.714 2.540 5.865 292 HD2 HIS 36 HD2 HIS 36 -1.736 -0.827 6.536 293 HE1 HIS 36 HE1 HIS 36 0.847 2.042 8.338 294 H SER 37 HN SER 37 -0.911 3.502 1.649 295 HA SER 37 HA SER 37 1.508 4.297 2.275 296 HB2 SER 37 HB2 SER 37 1.397 5.788 0.457 297 HB3 SER 37 HB3 SER 37 0.230 4.517 0.107 298 HG SER 37 HG SER 37 -1.386 5.950 0.882 299 HA PRO 38 HA PRO 38 1.596 7.503 5.324 300 HB2 PRO 38 HB2 PRO 38 3.998 8.705 4.879 301 HB3 PRO 38 HB3 PRO 38 3.862 7.013 5.462 302 HG2 PRO 38 HG2 PRO 38 4.412 7.984 2.662 303 HG3 PRO 38 HG3 PRO 38 5.161 6.617 3.539 304 HD2 PRO 38 HD2 PRO 38 3.071 6.403 1.712 305 HD3 PRO 38 HD3 PRO 38 3.388 5.212 3.001 306 H SER 39 HN SER 39 -0.091 8.935 4.879 307 HA SER 39 HA SER 39 -0.298 10.406 2.500 308 HB2 SER 39 HB2 SER 39 -1.637 11.403 4.989 309 HB3 SER 39 HB3 SER 39 -2.247 11.262 3.353 310 HG SER 39 HG SER 39 -3.158 9.709 4.830 311 H ALA 40 HN ALA 40 1.363 11.755 1.994 312 HA ALA 40 HA ALA 40 2.676 13.395 3.980 313 HB1 ALA 40 HB1 ALA 40 2.865 13.384 0.944 314 HB2 ALA 40 HB2 ALA 40 3.966 14.227 2.064 315 HB3 ALA 40 HB3 ALA 40 3.883 12.456 2.083 316 H GLU 41 HN GLU 41 -0.344 13.847 2.572 317 HA GLU 41 HA GLU 41 -0.126 16.714 2.118 318 HB2 GLU 41 HB2 GLU 41 -2.631 15.065 1.950 319 HB3 GLU 41 HB3 GLU 41 -2.264 16.532 1.055 320 HG2 GLU 41 HG2 GLU 41 -0.827 15.278 -0.473 321 HG3 GLU 41 HG3 GLU 41 -0.997 13.830 0.522 322 H VAL 42 HN VAL 42 -0.011 15.575 4.833 323 HA VAL 42 HA VAL 42 -2.615 15.983 6.050 324 HB VAL 42 HB VAL 42 0.112 15.378 7.187 325 HG11 VAL 42 HG11 VAL 42 -1.163 14.855 9.338 326 HG12 VAL 42 HG12 VAL 42 -0.998 16.568 8.967 327 HG13 VAL 42 HG13 VAL 42 -2.539 15.750 8.651 328 HG21 VAL 42 HG21 VAL 42 -0.806 13.193 7.516 329 HG22 VAL 42 HG22 VAL 42 -2.438 13.741 7.033 330 HG23 VAL 42 HG23 VAL 42 -1.135 13.678 5.837 331 H GLN 43 HN GLN 43 0.433 17.690 6.982 332 HA GLN 43 HA GLN 43 0.864 19.844 7.478 333 HB2 GLN 43 HB2 GLN 43 -1.641 20.663 6.000 334 HB3 GLN 43 HB3 GLN 43 -0.200 21.617 6.276 335 HG2 GLN 43 HG2 GLN 43 0.965 20.641 4.543 336 HG3 GLN 43 HG3 GLN 43 0.200 19.066 4.694 337 HE21 GLN 43 HE21 GLN 43 -2.362 19.150 4.269 338 HE22 GLN 43 HE22 GLN 43 -2.768 19.988 2.807 339 H GLY 44 HN GLY 44 0.008 18.556 9.516 340 HA2 GLY 44 HA2 GLY 44 -0.821 19.971 11.549 341 HA3 GLY 44 HA1 GLY 44 -2.396 19.795 10.734 342 H HIS 45 HN HIS 45 -3.427 17.758 10.830 343 HA HIS 45 HA HIS 45 -1.928 15.595 12.179 344 HB2 HIS 45 HB2 HIS 45 -3.152 17.515 13.694 345 HB3 HIS 45 HB3 HIS 45 -4.495 16.400 13.492 346 HD1 HIS 45 HD1 HIS 45 -4.544 14.990 15.638 347 HD2 HIS 45 HD2 HIS 45 -0.688 15.900 14.206 348 HE1 HIS 45 HE1 HIS 45 -2.897 13.884 17.265 349 H GLY 46 HN GLY 46 -4.921 16.574 10.712 350 HA2 GLY 46 HA2 GLY 46 -6.559 15.375 9.603 351 HA3 GLY 46 HA1 GLY 46 -5.315 14.158 9.332 352 H ASN 47 HN ASN 47 -7.328 12.776 9.426 353 HA ASN 47 HA ASN 47 -7.828 11.639 12.045 354 HB2 ASN 47 HB2 ASN 47 -10.154 12.265 10.196 355 HB3 ASN 47 HB3 ASN 47 -10.144 11.940 11.893 356 HD21 ASN 47 HD21 ASN 47 -9.514 14.396 9.459 357 HD22 ASN 47 HD22 ASN 47 -9.626 15.804 10.494 358 HA PRO 48 HA PRO 48 -7.579 8.118 9.318 359 HB2 PRO 48 HB2 PRO 48 -9.431 6.290 10.224 360 HB3 PRO 48 HB3 PRO 48 -7.920 6.696 11.096 361 HG2 PRO 48 HG2 PRO 48 -10.708 7.773 11.578 362 HG3 PRO 48 HG3 PRO 48 -9.516 7.192 12.784 363 HD2 PRO 48 HD2 PRO 48 -9.875 9.830 12.197 364 HD3 PRO 48 HD3 PRO 48 -8.260 9.183 12.634 365 H VAL 49 HN VAL 49 -8.251 7.781 7.278 366 HA VAL 49 HA VAL 49 -11.107 8.143 6.552 367 HB VAL 49 HB VAL 49 -8.864 9.111 4.753 368 HG11 VAL 49 HG11 VAL 49 -11.882 9.379 4.601 369 HG12 VAL 49 HG12 VAL 49 -10.722 10.223 3.541 370 HG13 VAL 49 HG13 VAL 49 -10.795 8.466 3.522 371 HG21 VAL 49 HG21 VAL 49 -8.854 10.656 6.604 372 HG22 VAL 49 HG22 VAL 49 -9.716 11.445 5.288 373 HG23 VAL 49 HG23 VAL 49 -10.629 10.720 6.641 374 H LEU 50 HN LEU 50 -11.821 6.460 5.519 375 HA LEU 50 HA LEU 50 -10.081 4.285 4.731 376 HB2 LEU 50 HB2 LEU 50 -12.271 3.889 5.722 377 HB3 LEU 50 HB3 LEU 50 -13.087 4.682 4.367 378 HG LEU 50 HG LEU 50 -12.204 2.900 2.848 379 HD11 LEU 50 HD11 LEU 50 -10.132 2.253 3.922 380 HD12 LEU 50 HD12 LEU 50 -11.201 0.836 4.025 381 HD13 LEU 50 HD13 LEU 50 -10.954 1.882 5.428 382 HD21 LEU 50 HD21 LEU 50 -13.743 2.084 5.347 383 HD22 LEU 50 HD22 LEU 50 -13.652 1.074 3.899 384 HD23 LEU 50 HD23 LEU 50 -14.394 2.683 3.813 385 H GLN 51 HN GLN 51 -8.896 4.450 2.949 386 HA GLN 51 HA GLN 51 -9.746 6.056 0.633 387 HB2 GLN 51 HB2 GLN 51 -7.282 4.277 1.044 388 HB3 GLN 51 HB3 GLN 51 -7.510 5.429 -0.263 389 HG2 GLN 51 HG2 GLN 51 -7.712 6.611 2.458 390 HG3 GLN 51 HG3 GLN 51 -6.199 5.810 2.182 391 HE21 GLN 51 HE21 GLN 51 -7.002 8.703 2.467 392 HE22 GLN 51 HE22 GLN 51 -6.427 9.532 1.048 393 H TYR 52 HN TYR 52 -11.375 5.020 -0.565 394 HA TYR 52 HA TYR 52 -11.041 2.071 -1.009 395 HB2 TYR 52 HB2 TYR 52 -13.419 1.905 -1.247 396 HB3 TYR 52 HB3 TYR 52 -13.035 2.564 0.304 397 HD1 TYR 52 HD1 TYR 52 -14.499 3.316 -2.999 398 HD2 TYR 52 HD2 TYR 52 -13.460 4.972 0.845 399 HE1 TYR 52 HE1 TYR 52 -15.822 5.338 -3.523 400 HE2 TYR 52 HE2 TYR 52 -14.891 6.950 0.380 401 HH TYR 52 HH TYR 52 -16.012 8.158 -1.464 402 H GLY 53 HN GLY 53 -12.425 1.518 -3.036 403 HA2 GLY 53 HA2 GLY 53 -12.577 1.671 -5.386 404 HA3 GLY 53 HA1 GLY 53 -12.184 3.344 -5.254 405 H LYS 54 HN LYS 54 -10.149 0.532 -4.174 406 HA LYS 54 HA LYS 54 -8.024 1.429 -6.085 407 HB2 LYS 54 HB2 LYS 54 -7.803 0.821 -3.127 408 HB3 LYS 54 HB3 LYS 54 -6.453 0.593 -4.218 409 HG2 LYS 54 HG2 LYS 54 -6.087 2.678 -3.306 410 HG3 LYS 54 HG3 LYS 54 -6.635 2.977 -4.953 411 HD2 LYS 54 HD2 LYS 54 -8.855 3.588 -4.101 412 HD3 LYS 54 HD3 LYS 54 -8.360 3.185 -2.459 413 HE2 LYS 54 HE2 LYS 54 -8.335 5.560 -2.663 414 HE3 LYS 54 HE3 LYS 54 -6.641 5.045 -2.634 415 HZ1 LYS 54 HZ1 LYS 54 -8.165 5.743 -5.098 416 HZ2 LYS 54 HZ2 LYS 54 -6.571 5.345 -5.035 417 HZ3 LYS 54 HZ3 LYS 54 -7.101 6.705 -4.312 418 H LEU 55 HN LEU 55 -10.158 -0.943 -6.010 419 HA LEU 55 HA LEU 55 -8.747 -3.367 -5.857 420 HB2 LEU 55 HB2 LEU 55 -11.326 -2.565 -6.711 421 HB3 LEU 55 HB3 LEU 55 -10.659 -3.239 -8.150 422 HG LEU 55 HG LEU 55 -10.914 -4.581 -5.427 423 HD11 LEU 55 HD11 LEU 55 -12.638 -5.935 -6.427 424 HD12 LEU 55 HD12 LEU 55 -12.362 -5.183 -8.031 425 HD13 LEU 55 HD13 LEU 55 -13.037 -4.234 -6.706 426 HD21 LEU 55 HD21 LEU 55 -10.262 -6.680 -6.527 427 HD22 LEU 55 HD22 LEU 55 -8.966 -5.489 -6.422 428 HD23 LEU 55 HD23 LEU 55 -9.797 -5.744 -7.978 429 H ASN 56 HN ASN 56 -8.993 -1.052 -8.503 430 HA ASN 56 HA ASN 56 -7.845 -2.895 -10.471 431 HB2 ASN 56 HB2 ASN 56 -9.312 -0.272 -10.551 432 HB3 ASN 56 HB3 ASN 56 -8.155 -0.561 -11.820 433 HD21 ASN 56 HD21 ASN 56 -11.327 -1.896 -10.450 434 HD22 ASN 56 HD22 ASN 56 -11.558 -2.798 -11.894 435 H VAL 57 HN VAL 57 -6.484 -0.758 -8.236 436 HA VAL 57 HA VAL 57 -4.678 0.821 -9.577 437 HB VAL 57 HB VAL 57 -4.470 -0.631 -6.922 438 HG11 VAL 57 HG11 VAL 57 -2.765 1.065 -6.252 439 HG12 VAL 57 HG12 VAL 57 -2.160 0.282 -7.717 440 HG13 VAL 57 HG13 VAL 57 -2.901 1.873 -7.820 441 HG21 VAL 57 HG21 VAL 57 -6.315 0.975 -7.188 442 HG22 VAL 57 HG22 VAL 57 -5.112 1.346 -5.906 443 HG23 VAL 57 HG23 VAL 57 -5.129 2.238 -7.439 444 H GLY 58 HN GLY 58 -2.807 0.608 -10.662 445 HA2 GLY 58 HA2 GLY 58 -1.255 -1.845 -10.174 446 HA3 GLY 58 HA1 GLY 58 -1.322 -1.084 -11.770 447 H LEU 59 HN LEU 59 0.983 -1.566 -10.129 448 HA LEU 59 HA LEU 59 1.972 1.018 -9.171 449 HB2 LEU 59 HB2 LEU 59 2.566 -1.733 -8.708 450 HB3 LEU 59 HB3 LEU 59 3.875 -1.174 -9.707 451 HG LEU 59 HG LEU 59 4.362 -1.089 -7.305 452 HD11 LEU 59 HD11 LEU 59 5.670 0.387 -8.637 453 HD12 LEU 59 HD12 LEU 59 5.091 1.374 -7.294 454 HD13 LEU 59 HD13 LEU 59 4.307 1.505 -8.838 455 HD21 LEU 59 HD21 LEU 59 2.026 -0.477 -6.581 456 HD22 LEU 59 HD22 LEU 59 2.396 1.203 -7.073 457 HD23 LEU 59 HD23 LEU 59 3.326 0.414 -5.789 458 H VAL 60 HN VAL 60 3.457 2.242 -10.376 459 HA VAL 60 HA VAL 60 3.848 1.437 -13.228 460 HB VAL 60 HB VAL 60 3.782 4.087 -13.380 461 HG11 VAL 60 HG11 VAL 60 2.438 2.562 -14.727 462 HG12 VAL 60 HG12 VAL 60 1.414 2.186 -13.304 463 HG13 VAL 60 HG13 VAL 60 1.359 3.791 -14.056 464 HG21 VAL 60 HG21 VAL 60 1.856 4.987 -12.136 465 HG22 VAL 60 HG22 VAL 60 1.804 3.527 -11.153 466 HG23 VAL 60 HG23 VAL 60 3.224 4.603 -11.091 467 H GLY 61 HN GLY 61 5.324 2.788 -10.440 468 HA2 GLY 61 HA2 GLY 61 7.977 2.467 -11.672 469 HA3 GLY 61 HA1 GLY 61 7.541 4.146 -11.337 470 H VAL 62 HN VAL 62 9.730 2.679 -10.167 471 HA VAL 62 HA VAL 62 9.227 3.154 -7.359 472 HB VAL 62 HB VAL 62 8.307 1.029 -7.568 473 HG11 VAL 62 HG11 VAL 62 9.348 0.063 -9.568 474 HG12 VAL 62 HG12 VAL 62 10.910 -0.049 -8.746 475 HG13 VAL 62 HG13 VAL 62 9.568 -1.055 -8.216 476 HG21 VAL 62 HG21 VAL 62 10.911 0.747 -6.125 477 HG22 VAL 62 HG22 VAL 62 9.302 1.245 -5.503 478 HG23 VAL 62 HG23 VAL 62 9.562 -0.405 -6.022 479 H GLU 63 HN GLU 63 10.892 4.222 -6.810 480 HA GLU 63 HA GLU 63 13.598 3.385 -7.616 481 HB2 GLU 63 HB2 GLU 63 14.318 5.518 -8.470 482 HB3 GLU 63 HB3 GLU 63 13.018 4.830 -9.419 483 HG2 GLU 63 HG2 GLU 63 12.272 6.924 -9.370 484 HG3 GLU 63 HG3 GLU 63 11.558 6.440 -7.842 485 HA PRO 64 HA PRO 64 14.503 4.401 -3.529 486 HB2 PRO 64 HB2 PRO 64 17.203 4.412 -3.444 487 HB3 PRO 64 HB3 PRO 64 16.265 2.954 -3.881 488 HG2 PRO 64 HG2 PRO 64 17.650 4.898 -5.750 489 HG3 PRO 64 HG3 PRO 64 17.653 3.113 -5.799 490 HD2 PRO 64 HD2 PRO 64 15.952 4.714 -7.310 491 HD3 PRO 64 HD3 PRO 64 15.559 3.042 -6.803 492 H ALA 65 HN ALA 65 13.799 6.376 -2.852 493 HA ALA 65 HA ALA 65 14.938 8.871 -3.753 494 HB1 ALA 65 HB1 ALA 65 12.610 8.769 -3.142 495 HB2 ALA 65 HB2 ALA 65 13.007 8.277 -1.484 496 HB3 ALA 65 HB3 ALA 65 13.460 9.892 -2.064 497 H GLY 66 HN GLY 66 17.116 8.360 -3.343 498 HA2 GLY 66 HA2 GLY 66 19.062 9.091 -2.311 499 HA3 GLY 66 HA1 GLY 66 18.142 9.502 -0.844 500 H GLN 67 HN GLN 67 18.756 8.280 0.790 501 HA GLN 67 HA GLN 67 19.581 5.449 0.326 502 HB2 GLN 67 HB2 GLN 67 20.692 7.373 2.404 503 HB3 GLN 67 HB3 GLN 67 21.294 5.769 1.977 504 HG2 GLN 67 HG2 GLN 67 21.764 6.660 -0.361 505 HG3 GLN 67 HG3 GLN 67 21.310 8.268 0.235 506 HE21 GLN 67 HE21 GLN 67 23.100 9.506 0.591 507 HE22 GLN 67 HE22 GLN 67 24.635 8.884 1.161 508 H TYR 68 HN TYR 68 17.022 7.032 1.481 509 HA TYR 68 HA TYR 68 16.646 5.197 3.806 510 HB2 TYR 68 HB2 TYR 68 15.602 7.202 5.063 511 HB3 TYR 68 HB3 TYR 68 17.321 6.894 5.114 512 HD1 TYR 68 HD1 TYR 68 18.936 8.293 3.984 513 HD2 TYR 68 HD2 TYR 68 14.716 9.200 3.823 514 HE1 TYR 68 HE1 TYR 68 19.466 10.527 3.090 515 HE2 TYR 68 HE2 TYR 68 15.251 11.465 2.949 516 HH TYR 68 HH TYR 68 18.524 12.375 2.026 517 H ALA 69 HN ALA 69 15.205 6.963 1.142 518 HA ALA 69 HA ALA 69 12.535 5.953 1.948 519 HB1 ALA 69 HB1 ALA 69 11.644 8.067 0.929 520 HB2 ALA 69 HB2 ALA 69 12.616 8.324 2.381 521 HB3 ALA 69 HB3 ALA 69 13.315 8.664 0.786 522 H LEU 70 HN LEU 70 11.067 6.177 -0.139 523 HA LEU 70 HA LEU 70 12.476 5.202 -2.535 524 HB2 LEU 70 HB2 LEU 70 11.851 3.283 -0.908 525 HB3 LEU 70 HB3 LEU 70 10.177 3.594 -1.388 526 HG LEU 70 HG LEU 70 12.505 2.949 -3.260 527 HD11 LEU 70 HD11 LEU 70 11.447 0.740 -3.504 528 HD12 LEU 70 HD12 LEU 70 10.197 1.199 -2.317 529 HD13 LEU 70 HD13 LEU 70 11.892 1.053 -1.821 530 HD21 LEU 70 HD21 LEU 70 10.955 2.676 -5.017 531 HD22 LEU 70 HD22 LEU 70 10.562 4.212 -4.368 532 HD23 LEU 70 HD23 LEU 70 9.541 2.862 -3.935 533 H LYS 71 HN LYS 71 11.565 6.436 -4.158 534 HA LYS 71 HA LYS 71 9.025 7.861 -3.797 535 HB2 LYS 71 HB2 LYS 71 11.209 8.655 -5.072 536 HB3 LYS 71 HB3 LYS 71 10.670 7.566 -6.318 537 HG2 LYS 71 HG2 LYS 71 8.402 8.831 -6.242 538 HG3 LYS 71 HG3 LYS 71 9.273 10.047 -5.283 539 HD2 LYS 71 HD2 LYS 71 11.008 10.131 -7.138 540 HD3 LYS 71 HD3 LYS 71 9.956 9.041 -8.070 541 HE2 LYS 71 HE2 LYS 71 8.125 10.768 -7.934 542 HE3 LYS 71 HE3 LYS 71 9.199 11.807 -6.986 543 HZ1 LYS 71 HZ1 LYS 71 9.473 11.083 -9.832 544 HZ2 LYS 71 HZ2 LYS 71 10.731 11.736 -8.949 545 HZ3 LYS 71 HZ3 LYS 71 9.373 12.580 -9.167 546 H LEU 72 HN LEU 72 7.389 6.343 -3.730 547 HA LEU 72 HA LEU 72 7.230 4.171 -5.758 548 HB2 LEU 72 HB2 LEU 72 5.804 4.873 -3.218 549 HB3 LEU 72 HB3 LEU 72 4.803 4.164 -4.471 550 HG LEU 72 HG LEU 72 7.433 2.867 -3.713 551 HD11 LEU 72 HD11 LEU 72 4.791 2.351 -2.331 552 HD12 LEU 72 HD12 LEU 72 6.270 3.013 -1.609 553 HD13 LEU 72 HD13 LEU 72 6.262 1.355 -2.185 554 HD21 LEU 72 HD21 LEU 72 4.835 1.866 -4.935 555 HD22 LEU 72 HD22 LEU 72 6.198 0.809 -4.490 556 HD23 LEU 72 HD23 LEU 72 6.420 2.047 -5.738 557 H SER 73 HN SER 73 5.740 4.234 -7.501 558 HA SER 73 HA SER 73 4.176 6.738 -7.798 559 HB2 SER 73 HB2 SER 73 5.145 5.024 -10.074 560 HB3 SER 73 HB3 SER 73 4.485 6.644 -10.155 561 HG SER 73 HG SER 73 6.696 6.464 -10.530 562 H PHE 74 HN PHE 74 1.957 6.354 -8.060 563 HA PHE 74 HA PHE 74 1.114 3.499 -8.479 564 HB2 PHE 74 HB2 PHE 74 -0.364 5.547 -6.792 565 HB3 PHE 74 HB3 PHE 74 -0.762 3.854 -7.027 566 HD1 PHE 74 HD2 PHE 74 0.585 2.056 -5.913 567 HD2 PHE 74 HD1 PHE 74 1.354 6.234 -5.205 568 HE1 PHE 74 HE2 PHE 74 1.776 1.475 -3.860 569 HE2 PHE 74 HE1 PHE 74 2.497 5.656 -3.076 570 HZ PHE 74 HZ PHE 74 2.704 3.276 -2.385 571 H ASP 75 HN ASP 75 -0.346 3.229 -10.104 572 HA ASP 75 HA ASP 75 -0.680 5.459 -11.862 573 HB2 ASP 75 HB2 ASP 75 -1.701 4.100 -13.404 574 HB3 ASP 75 HB3 ASP 75 -0.534 3.092 -12.571 575 H ASP 76 HN ASP 76 -2.473 4.794 -9.078 576 HA ASP 76 HA ASP 76 -4.925 6.093 -10.047 577 HB2 ASP 76 HB2 ASP 76 -6.048 4.983 -8.370 578 HB3 ASP 76 HB3 ASP 76 -4.845 3.820 -8.879 579 H GLY 77 HN GLY 77 -2.065 7.089 -8.640 580 HA2 GLY 77 HA2 GLY 77 -2.103 9.534 -8.717 581 HA3 GLY 77 HA1 GLY 77 -3.426 9.509 -7.551 582 H HIS 78 HN HIS 78 -1.803 11.012 -6.710 583 HA HIS 78 HA HIS 78 -0.332 11.790 -5.252 584 HB2 HIS 78 HB2 HIS 78 -2.245 11.274 -3.955 585 HB3 HIS 78 HB3 HIS 78 -1.743 9.630 -3.704 586 HD1 HIS 78 HD1 HIS 78 -2.346 10.790 -1.082 587 HD2 HIS 78 HD2 HIS 78 1.265 11.786 -3.034 588 HE1 HIS 78 HE1 HIS 78 -0.750 11.516 0.695 589 H ASP 79 HN ASP 79 1.408 11.189 -6.635 590 HA ASP 79 HA ASP 79 3.127 8.930 -5.947 591 HB2 ASP 79 HB2 ASP 79 3.536 11.173 -7.946 592 HB3 ASP 79 HB3 ASP 79 4.470 9.665 -7.800 593 H SER 80 HN SER 80 2.819 10.713 -3.755 594 HA SER 80 HA SER 80 5.575 11.740 -3.375 595 HB2 SER 80 HB2 SER 80 3.026 13.343 -3.025 596 HB3 SER 80 HB3 SER 80 4.440 13.675 -2.025 597 HG SER 80 HG SER 80 4.016 14.333 -4.607 598 H GLY 81 HN GLY 81 4.062 9.285 -2.491 599 HA2 GLY 81 HA2 GLY 81 3.550 9.542 0.334 600 HA3 GLY 81 HA1 GLY 81 3.796 8.036 -0.593 601 H LEU 82 HN LEU 82 5.203 10.211 1.610 602 HA LEU 82 HA LEU 82 8.000 9.696 1.020 603 HB2 LEU 82 HB2 LEU 82 6.417 11.182 3.097 604 HB3 LEU 82 HB3 LEU 82 8.042 10.681 3.559 605 HG LEU 82 HG LEU 82 7.490 12.257 1.021 606 HD11 LEU 82 HD11 LEU 82 8.262 14.230 2.260 607 HD12 LEU 82 HD12 LEU 82 8.403 13.262 3.745 608 HD13 LEU 82 HD13 LEU 82 6.811 13.551 3.013 609 HD21 LEU 82 HD21 LEU 82 9.965 12.789 1.286 610 HD22 LEU 82 HD22 LEU 82 9.645 11.099 0.915 611 HD23 LEU 82 HD23 LEU 82 10.038 11.588 2.577 612 H PHE 83 HN PHE 83 7.668 7.357 0.820 613 HA PHE 83 HA PHE 83 7.311 5.706 3.160 614 HB2 PHE 83 HB2 PHE 83 8.586 5.178 0.434 615 HB3 PHE 83 HB3 PHE 83 8.407 3.937 1.671 616 HD1 PHE 83 HD1 PHE 83 6.161 3.208 2.474 617 HD2 PHE 83 HD2 PHE 83 6.647 5.880 -0.876 618 HE1 PHE 83 HE1 PHE 83 3.787 2.898 1.861 619 HE2 PHE 83 HE2 PHE 83 4.256 5.595 -1.458 620 HZ PHE 83 HZ PHE 83 2.826 4.051 -0.069 621 H THR 84 HN THR 84 9.136 4.132 3.921 622 HA THR 84 HA THR 84 11.800 5.251 3.819 623 HB THR 84 HB THR 84 10.527 4.861 6.544 624 HG1 THR 84 HG1 THR 84 10.433 7.046 4.813 625 HG21 THR 84 HG21 THR 84 12.957 6.486 5.672 626 HG22 THR 84 HG22 THR 84 13.023 4.894 6.475 627 HG23 THR 84 HG23 THR 84 12.356 6.297 7.323 628 H TRP 85 HN TRP 85 13.339 3.641 4.480 629 HA TRP 85 HA TRP 85 12.680 1.056 3.696 630 HB2 TRP 85 HB2 TRP 85 14.984 2.155 5.310 631 HB3 TRP 85 HB3 TRP 85 14.951 0.502 4.779 632 HD1 TRP 85 HD1 TRP 85 16.807 3.177 3.885 633 HE1 TRP 85 HE1 TRP 85 17.166 3.598 1.362 634 HE3 TRP 85 HE3 TRP 85 13.311 -0.056 1.971 635 HZ2 TRP 85 HZ2 TRP 85 16.183 2.582 -1.115 636 HZ3 TRP 85 HZ3 TRP 85 13.114 -0.354 -0.453 637 HH2 TRP 85 HH2 TRP 85 14.563 0.943 -2.018 638 H ASP 86 HN ASP 86 12.890 2.237 7.057 639 HA ASP 86 HA ASP 86 12.490 -0.373 8.278 640 HB2 ASP 86 HB2 ASP 86 12.982 2.414 9.138 641 HB3 ASP 86 HB3 ASP 86 11.822 1.620 10.172 642 H TYR 87 HN TYR 87 10.415 1.375 6.528 643 HA TYR 87 HA TYR 87 7.943 0.639 8.057 644 HB2 TYR 87 HB2 TYR 87 8.227 3.005 7.884 645 HB3 TYR 87 HB3 TYR 87 8.609 2.918 6.176 646 HD1 TYR 87 HD2 TYR 87 5.854 1.559 8.364 647 HD2 TYR 87 HD1 TYR 87 6.937 3.790 4.825 648 HE1 TYR 87 HE2 TYR 87 3.510 2.026 7.957 649 HE2 TYR 87 HE1 TYR 87 4.547 4.255 4.389 650 HH TYR 87 HH TYR 87 2.321 4.004 6.894 651 H LEU 88 HN LEU 88 9.450 0.838 4.809 652 HA LEU 88 HA LEU 88 7.434 -0.404 3.287 653 HB2 LEU 88 HB2 LEU 88 10.457 -0.293 3.047 654 HB3 LEU 88 HB3 LEU 88 9.507 -1.173 1.867 655 HG LEU 88 HG LEU 88 8.742 1.684 2.516 656 HD11 LEU 88 HD11 LEU 88 10.196 2.498 0.721 657 HD12 LEU 88 HD12 LEU 88 10.900 0.877 0.528 658 HD13 LEU 88 HD13 LEU 88 11.151 1.789 2.024 659 HD21 LEU 88 HD21 LEU 88 7.896 1.668 0.220 660 HD22 LEU 88 HD22 LEU 88 7.238 0.277 1.088 661 HD23 LEU 88 HD23 LEU 88 8.569 0.047 -0.052 662 H TYR 89 HN TYR 89 10.197 -1.950 4.995 663 HA TYR 89 HA TYR 89 9.285 -4.650 4.366 664 HB2 TYR 89 HB2 TYR 89 11.537 -3.364 5.828 665 HB3 TYR 89 HB3 TYR 89 11.095 -4.982 6.322 666 HD1 TYR 89 HD1 TYR 89 10.468 -6.676 4.153 667 HD2 TYR 89 HD2 TYR 89 13.015 -3.170 3.983 668 HE1 TYR 89 HE1 TYR 89 11.505 -7.535 2.205 669 HE2 TYR 89 HE2 TYR 89 14.191 -4.156 2.086 670 HH TYR 89 HH TYR 89 13.810 -7.531 1.243 671 H GLU 90 HN GLU 90 8.604 -2.436 7.017 672 HA GLU 90 HA GLU 90 7.742 -4.441 8.859 673 HB2 GLU 90 HB2 GLU 90 8.056 -1.754 8.998 674 HB3 GLU 90 HB3 GLU 90 6.355 -1.754 8.594 675 HG2 GLU 90 HG2 GLU 90 6.288 -1.809 10.925 676 HG3 GLU 90 HG3 GLU 90 6.184 -3.541 10.560 677 H LEU 91 HN LEU 91 6.066 -2.463 6.439 678 HA LEU 91 HA LEU 91 3.521 -3.705 6.573 679 HB2 LEU 91 HB2 LEU 91 4.964 -2.210 4.351 680 HB3 LEU 91 HB3 LEU 91 3.263 -2.635 4.298 681 HG LEU 91 HG LEU 91 4.486 -0.874 6.479 682 HD11 LEU 91 HD11 LEU 91 4.686 0.400 4.543 683 HD12 LEU 91 HD12 LEU 91 3.128 0.910 5.197 684 HD13 LEU 91 HD13 LEU 91 3.134 -0.241 3.860 685 HD21 LEU 91 HD21 LEU 91 1.587 -1.388 5.701 686 HD22 LEU 91 HD22 LEU 91 2.182 -0.273 6.954 687 HD23 LEU 91 HD23 LEU 91 2.421 -1.992 7.165 688 H ALA 92 HN ALA 92 6.437 -4.597 4.746 689 HA ALA 92 HA ALA 92 5.334 -6.495 2.992 690 HB1 ALA 92 HB1 ALA 92 7.479 -7.468 2.804 691 HB2 ALA 92 HB2 ALA 92 7.708 -5.717 2.996 692 HB3 ALA 92 HB3 ALA 92 8.006 -6.822 4.360 693 H THR 93 HN THR 93 6.145 -6.898 6.501 694 HA THR 93 HA THR 93 5.280 -9.725 6.293 695 HB THR 93 HB THR 93 7.391 -9.492 7.292 696 HG1 THR 93 HG1 THR 93 6.146 -11.073 8.222 697 HG21 THR 93 HG21 THR 93 7.796 -8.355 9.414 698 HG22 THR 93 HG22 THR 93 6.179 -7.617 9.329 699 HG23 THR 93 HG23 THR 93 7.409 -7.241 8.101 700 H ARG 94 HN ARG 94 4.319 -6.634 7.809 701 HA ARG 94 HA ARG 94 2.248 -7.783 9.477 702 HB2 ARG 94 HB2 ARG 94 2.918 -4.987 8.510 703 HB3 ARG 94 HB3 ARG 94 1.560 -5.305 9.572 704 HG2 ARG 94 HG2 ARG 94 4.168 -6.428 10.532 705 HG3 ARG 94 HG3 ARG 94 4.085 -4.684 10.371 706 HD2 ARG 94 HD2 ARG 94 3.290 -4.878 12.514 707 HD3 ARG 94 HD3 ARG 94 1.771 -4.938 11.675 708 HE ARG 94 HE ARG 94 2.318 -7.570 11.847 709 HH11 ARG 94 HH11 ARG 94 2.615 -5.035 14.362 710 HH12 ARG 94 HH12 ARG 94 2.288 -6.158 15.651 711 HH21 ARG 94 HH21 ARG 94 2.020 -8.977 13.569 712 HH22 ARG 94 HH22 ARG 94 1.918 -8.404 15.214 713 H LYS 95 HN LYS 95 2.359 -7.647 6.159 714 HA LYS 95 HA LYS 95 0.145 -6.317 5.328 715 HB2 LYS 95 HB2 LYS 95 1.787 -7.259 3.799 716 HB3 LYS 95 HB3 LYS 95 1.307 -8.910 4.202 717 HG2 LYS 95 HG2 LYS 95 -0.981 -8.454 3.254 718 HG3 LYS 95 HG3 LYS 95 -0.450 -6.816 2.877 719 HD2 LYS 95 HD2 LYS 95 0.037 -7.642 0.849 720 HD3 LYS 95 HD3 LYS 95 1.508 -8.195 1.653 721 HE2 LYS 95 HE2 LYS 95 0.446 -9.854 0.133 722 HE3 LYS 95 HE3 LYS 95 0.827 -10.420 1.760 723 HZ1 LYS 95 HZ1 LYS 95 -1.418 -11.041 0.893 724 HZ2 LYS 95 HZ2 LYS 95 -1.896 -9.494 1.124 725 HZ3 LYS 95 HZ3 LYS 95 -1.344 -10.443 2.387 726 H ASP 96 HN ASP 96 0.150 -9.774 6.316 727 HA ASP 96 HA ASP 96 -2.414 -10.326 5.411 728 HB2 ASP 96 HB2 ASP 96 -0.557 -11.891 6.383 729 HB3 ASP 96 HB3 ASP 96 -1.383 -11.667 7.923 730 H GLN 97 HN GLN 97 -1.438 -9.148 8.612 731 HA GLN 97 HA GLN 97 -4.004 -8.967 9.832 732 HB2 GLN 97 HB2 GLN 97 -1.781 -8.945 11.001 733 HB3 GLN 97 HB3 GLN 97 -1.427 -7.365 10.336 734 HG2 GLN 97 HG2 GLN 97 -2.162 -7.201 12.648 735 HG3 GLN 97 HG3 GLN 97 -3.338 -6.406 11.601 736 HE21 GLN 97 HE21 GLN 97 -5.511 -7.122 11.840 737 HE22 GLN 97 HE22 GLN 97 -5.795 -8.867 11.837 738 H LEU 98 HN LEU 98 -1.935 -6.433 8.361 739 HA LEU 98 HA LEU 98 -3.726 -4.280 8.696 740 HB2 LEU 98 HB2 LEU 98 -1.317 -4.925 6.982 741 HB3 LEU 98 HB3 LEU 98 -2.222 -3.482 6.607 742 HG LEU 98 HG LEU 98 -1.739 -2.414 8.636 743 HD11 LEU 98 HD11 LEU 98 -2.207 -4.158 10.249 744 HD12 LEU 98 HD12 LEU 98 -0.633 -3.421 10.569 745 HD13 LEU 98 HD13 LEU 98 -0.735 -5.029 9.799 746 HD21 LEU 98 HD21 LEU 98 0.678 -4.066 7.801 747 HD22 LEU 98 HD22 LEU 98 0.732 -2.558 8.740 748 HD23 LEU 98 HD23 LEU 98 0.111 -2.550 7.080 749 H TRP 99 HN TRP 99 -3.323 -6.511 5.975 750 HA TRP 99 HA TRP 99 -5.192 -5.113 4.280 751 HB2 TRP 99 HB2 TRP 99 -3.384 -6.573 3.402 752 HB3 TRP 99 HB3 TRP 99 -4.167 -7.973 4.141 753 HD1 TRP 99 HD1 TRP 99 -5.503 -9.282 2.524 754 HE1 TRP 99 HE1 TRP 99 -6.972 -8.876 0.465 755 HE3 TRP 99 HE3 TRP 99 -5.055 -4.199 2.251 756 HZ2 TRP 99 HZ2 TRP 99 -7.985 -6.566 -0.990 757 HZ3 TRP 99 HZ3 TRP 99 -6.350 -2.917 0.582 758 HH2 TRP 99 HH2 TRP 99 -7.862 -4.081 -0.987 759 H ALA 100 HN ALA 100 -5.468 -7.798 6.678 760 HA ALA 100 HA ALA 100 -8.199 -8.380 6.066 761 HB1 ALA 100 HB1 ALA 100 -8.290 -9.370 8.298 762 HB2 ALA 100 HB2 ALA 100 -6.766 -9.827 7.513 763 HB3 ALA 100 HB3 ALA 100 -6.787 -8.583 8.772 764 H ASP 101 HN ASP 101 -6.598 -6.121 8.308 765 HA ASP 101 HA ASP 101 -8.833 -4.953 9.563 766 HB2 ASP 101 HB2 ASP 101 -6.294 -4.806 10.023 767 HB3 ASP 101 HB3 ASP 101 -6.251 -3.524 8.829 768 H TYR 102 HN TYR 102 -7.063 -3.933 6.597 769 HA TYR 102 HA TYR 102 -8.896 -1.843 5.954 770 HB2 TYR 102 HB2 TYR 102 -6.666 -3.264 4.562 771 HB3 TYR 102 HB3 TYR 102 -7.867 -2.543 3.523 772 HD1 TYR 102 HD2 TYR 102 -8.720 -0.088 4.568 773 HD2 TYR 102 HD1 TYR 102 -4.783 -1.829 4.935 774 HE1 TYR 102 HE2 TYR 102 -7.806 2.128 5.103 775 HE2 TYR 102 HE1 TYR 102 -3.855 0.394 5.430 776 HH TYR 102 HH TYR 102 -5.958 3.196 6.036 777 H LEU 103 HN LEU 103 -8.960 -5.313 4.939 778 HA LEU 103 HA LEU 103 -11.213 -5.048 3.230 779 HB2 LEU 103 HB2 LEU 103 -10.082 -7.308 4.920 780 HB3 LEU 103 HB3 LEU 103 -11.549 -7.511 3.990 781 HG LEU 103 HG LEU 103 -8.895 -6.636 2.734 782 HD11 LEU 103 HD11 LEU 103 -8.735 -9.039 2.030 783 HD12 LEU 103 HD12 LEU 103 -10.093 -9.407 3.114 784 HD13 LEU 103 HD13 LEU 103 -8.565 -8.787 3.779 785 HD21 LEU 103 HD21 LEU 103 -9.968 -7.453 0.649 786 HD22 LEU 103 HD22 LEU 103 -10.825 -6.088 1.380 787 HD23 LEU 103 HD23 LEU 103 -11.473 -7.732 1.555 788 H ALA 104 HN ALA 104 -10.961 -5.453 6.748 789 HA ALA 104 HA ALA 104 -13.747 -5.994 7.195 790 HB1 ALA 104 HB1 ALA 104 -12.002 -6.422 8.862 791 HB2 ALA 104 HB2 ALA 104 -11.692 -4.679 9.014 792 HB3 ALA 104 HB3 ALA 104 -13.267 -5.346 9.497 793 H GLU 105 HN GLU 105 -11.847 -2.929 7.427 794 HA GLU 105 HA GLU 105 -13.877 -1.068 7.598 795 HB2 GLU 105 HB2 GLU 105 -11.216 -1.025 6.218 796 HB3 GLU 105 HB3 GLU 105 -12.335 0.322 6.077 797 HG2 GLU 105 HG2 GLU 105 -11.693 -0.725 8.826 798 HG3 GLU 105 HG3 GLU 105 -10.535 0.225 7.930 799 H LEU 106 HN LEU 106 -12.469 -2.335 4.488 800 HA LEU 106 HA LEU 106 -14.472 -1.006 2.943 801 HB2 LEU 106 HB2 LEU 106 -12.011 -2.496 2.416 802 HB3 LEU 106 HB3 LEU 106 -13.249 -3.181 1.430 803 HG LEU 106 HG LEU 106 -12.272 -1.534 0.057 804 HD11 LEU 106 HD11 LEU 106 -14.754 -1.477 0.107 805 HD12 LEU 106 HD12 LEU 106 -13.949 -0.018 -0.489 806 HD13 LEU 106 HD13 LEU 106 -14.640 -0.045 1.136 807 HD21 LEU 106 HD21 LEU 106 -11.595 0.599 0.624 808 HD22 LEU 106 HD22 LEU 106 -11.092 -0.421 1.975 809 HD23 LEU 106 HD23 LEU 106 -12.539 0.601 2.125 810 H ALA 107 HN ALA 107 -14.851 -3.876 4.704 811 HA ALA 107 HA ALA 107 -17.137 -4.720 2.977 812 HB1 ALA 107 HB1 ALA 107 -15.760 -6.477 4.001 813 HB2 ALA 107 HB2 ALA 107 -16.078 -5.817 5.621 814 HB3 ALA 107 HB3 ALA 107 -17.416 -6.484 4.657 815 H SER 108 HN SER 108 -16.412 -3.257 6.182 816 HA SER 108 HA SER 108 -19.196 -3.310 6.843 817 HB2 SER 108 HB2 SER 108 -17.308 -4.010 8.299 818 HB3 SER 108 HB3 SER 108 -16.830 -2.308 8.440 819 HG SER 108 HG SER 108 -19.494 -3.098 8.965 820 H ALA 109 HN ALA 109 -16.887 -0.696 6.037 821 HA ALA 109 HA ALA 109 -18.471 1.498 6.877 822 HB1 ALA 109 HB1 ALA 109 -17.006 2.808 5.365 823 HB2 ALA 109 HB2 ALA 109 -16.071 1.652 6.321 824 HB3 ALA 109 HB3 ALA 109 -16.421 1.308 4.614 825 H GLY 110 HN GLY 110 -19.164 -0.702 4.342 826 HA2 GLY 110 HA2 GLY 110 -20.843 -0.763 2.782 827 HA3 GLY 110 HA1 GLY 110 -21.500 0.747 3.412 828 H LYS 111 HN LYS 111 -18.160 0.134 2.158 829 HA LYS 111 HA LYS 111 -18.786 1.762 -0.242 830 HB2 LYS 111 HB2 LYS 111 -16.015 1.628 0.904 831 HB3 LYS 111 HB3 LYS 111 -16.620 2.722 -0.291 832 HG2 LYS 111 HG2 LYS 111 -17.451 2.806 2.644 833 HG3 LYS 111 HG3 LYS 111 -16.202 3.815 1.921 834 HD2 LYS 111 HD2 LYS 111 -17.745 4.912 0.470 835 HD3 LYS 111 HD3 LYS 111 -19.069 3.826 0.874 836 HE2 LYS 111 HE2 LYS 111 -17.714 5.580 2.963 837 HE3 LYS 111 HE3 LYS 111 -18.973 6.168 1.882 838 HZ1 LYS 111 HZ1 LYS 111 -20.476 4.518 2.721 839 HZ2 LYS 111 HZ2 LYS 111 -19.963 5.479 3.938 840 HZ3 LYS 111 HZ3 LYS 111 -19.375 3.944 3.791 841 H SER 112 HN SER 112 -16.844 1.044 -1.901 842 HA SER 112 HA SER 112 -16.173 -1.843 -1.578 843 HB2 SER 112 HB2 SER 112 -17.613 -0.602 -3.915 844 HB3 SER 112 HB3 SER 112 -16.896 -2.225 -3.899 845 HG SER 112 HG SER 112 -19.089 -1.288 -2.358 846 H ARG 113 HN ARG 113 -14.511 -2.595 -2.873 847 HA ARG 113 HA ARG 113 -12.326 -0.765 -3.201 848 HB2 ARG 113 HB2 ARG 113 -12.650 -3.572 -4.359 849 HB3 ARG 113 HB3 ARG 113 -11.122 -2.748 -4.050 850 HG2 ARG 113 HG2 ARG 113 -12.394 -2.717 -1.573 851 HG3 ARG 113 HG3 ARG 113 -12.979 -4.196 -2.223 852 HD2 ARG 113 HD2 ARG 113 -10.253 -3.370 -1.348 853 HD3 ARG 113 HD3 ARG 113 -11.110 -4.859 -0.979 854 HE ARG 113 HE ARG 113 -9.331 -4.181 -3.163 855 HH11 ARG 113 HH11 ARG 113 -11.809 -6.677 -2.443 856 HH12 ARG 113 HH12 ARG 113 -10.728 -8.004 -2.744 857 HH21 ARG 113 HH21 ARG 113 -8.095 -5.823 -3.782 858 HH22 ARG 113 HH22 ARG 113 -8.594 -7.520 -3.737 859 H ASP 114 HN ASP 114 -14.905 -1.660 -5.353 860 HA ASP 114 HA ASP 114 -13.282 -0.809 -7.669 861 HB2 ASP 114 HB2 ASP 114 -15.104 -2.857 -7.415 862 HB3 ASP 114 HB3 ASP 114 -16.042 -1.629 -8.247 863 HA PRO 115 HA PRO 115 -14.781 3.177 -7.847 864 HB2 PRO 115 HB2 PRO 115 -14.828 3.744 -10.574 865 HB3 PRO 115 HB3 PRO 115 -13.366 3.638 -9.561 866 HG2 PRO 115 HG2 PRO 115 -14.497 1.550 -11.418 867 HG3 PRO 115 HG3 PRO 115 -12.788 1.998 -11.140 868 HD2 PRO 115 HD2 PRO 115 -14.117 -0.124 -10.077 869 HD3 PRO 115 HD3 PRO 115 -12.708 0.606 -9.264 870 H ASP 116 HN ASP 116 -16.630 0.840 -9.733 871 HA ASP 116 HA ASP 116 -19.071 2.136 -8.703 872 HB2 ASP 116 HB2 ASP 116 -18.524 3.028 -11.052 873 HB3 ASP 116 HB3 ASP 116 -18.957 1.436 -11.655 874 H GLU 117 HN GLU 117 -18.502 0.206 -7.355 875 HA GLU 117 HA GLU 117 -18.789 -2.434 -8.473 876 HB2 GLU 117 HB2 GLU 117 -17.603 -1.325 -6.245 877 HB3 GLU 117 HB3 GLU 117 -19.002 -2.078 -5.514 878 HG2 GLU 117 HG2 GLU 117 -17.309 -3.684 -7.455 879 HG3 GLU 117 HG3 GLU 117 -16.662 -3.309 -5.866 880 H SER 118 HN SER 118 -20.520 -4.024 -7.554 881 HA SER 118 HA SER 118 -23.121 -2.729 -8.003 882 HB2 SER 118 HB2 SER 118 -22.306 -4.794 -9.243 883 HB3 SER 118 HB3 SER 118 -22.510 -5.692 -7.730 884 HG SER 118 HG SER 118 -24.360 -4.738 -9.547 885 H VAL 119 HN VAL 119 -22.227 -1.813 -5.667 886 HA VAL 119 HA VAL 119 -23.892 -3.141 -3.594 887 HB VAL 119 HB VAL 119 -21.054 -2.276 -2.991 888 HG11 VAL 119 HG11 VAL 119 -21.417 -3.784 -1.017 889 HG12 VAL 119 HG12 VAL 119 -22.585 -2.451 -1.073 890 HG13 VAL 119 HG13 VAL 119 -23.074 -4.070 -1.588 891 HG21 VAL 119 HG21 VAL 119 -21.864 -5.131 -3.623 892 HG22 VAL 119 HG22 VAL 119 -20.766 -4.107 -4.570 893 HG23 VAL 119 HG23 VAL 119 -20.321 -4.591 -2.943 894 H VAL 120 HN VAL 120 -25.029 -1.116 -4.700 895 HA VAL 120 HA VAL 120 -24.202 1.422 -3.415 896 HB VAL 120 HB VAL 120 -26.597 0.810 -5.186 897 HG11 VAL 120 HG11 VAL 120 -25.410 3.464 -4.214 898 HG12 VAL 120 HG12 VAL 120 -26.716 3.292 -5.405 899 HG13 VAL 120 HG13 VAL 120 -26.981 2.789 -3.733 900 HG21 VAL 120 HG21 VAL 120 -23.979 2.236 -5.832 901 HG22 VAL 120 HG22 VAL 120 -24.399 0.591 -6.385 902 HG23 VAL 120 HG23 VAL 120 -25.336 1.977 -6.932 903 H LYS 121 HN LYS 121 -24.275 0.584 -1.289 904 HA LYS 121 HA LYS 121 -26.969 0.491 -0.057 905 HB2 LYS 121 HB2 LYS 121 -24.718 -1.565 0.140 906 HB3 LYS 121 HB3 LYS 121 -25.897 -1.395 1.425 907 HG2 LYS 121 HG2 LYS 121 -26.747 -1.899 -1.457 908 HG3 LYS 121 HG3 LYS 121 -26.314 -3.211 -0.380 909 HD2 LYS 121 HD2 LYS 121 -28.377 -1.179 0.526 910 HD3 LYS 121 HD3 LYS 121 -28.840 -2.473 -0.599 911 HE2 LYS 121 HE2 LYS 121 -28.209 -4.188 0.903 912 HE3 LYS 121 HE3 LYS 121 -27.304 -3.072 1.933 913 HZ1 LYS 121 HZ1 LYS 121 -30.226 -2.926 1.673 914 HZ2 LYS 121 HZ2 LYS 121 -29.248 -2.172 2.784 915 HZ3 LYS 121 HZ3 LYS 121 -29.435 -3.785 2.841 916 H LEU 122 HN LEU 122 -26.798 0.976 2.298 917 HA LEU 122 HA LEU 122 -24.282 1.723 3.435 918 HB2 LEU 122 HB2 LEU 122 -24.639 3.988 3.949 919 HB3 LEU 122 HB3 LEU 122 -24.746 3.846 2.210 920 HG LEU 122 HG LEU 122 -27.142 4.160 4.095 921 HD11 LEU 122 HD11 LEU 122 -25.679 6.145 4.066 922 HD12 LEU 122 HD12 LEU 122 -27.209 6.477 3.243 923 HD13 LEU 122 HD13 LEU 122 -25.742 6.181 2.293 924 HD21 LEU 122 HD21 LEU 122 -28.372 4.780 2.002 925 HD22 LEU 122 HD22 LEU 122 -27.888 3.087 2.033 926 HD23 LEU 122 HD23 LEU 122 -26.975 4.257 1.048 927 H MET 123 HN MET 123 -24.470 1.790 5.720 928 HA MET 123 HA MET 123 -27.041 1.781 7.025 929 HB2 MET 123 HB2 MET 123 -26.883 -0.580 6.059 930 HB3 MET 123 HB3 MET 123 -25.521 -0.863 7.139 931 HG2 MET 123 HG2 MET 123 -26.924 -0.587 9.072 932 HG3 MET 123 HG3 MET 123 -28.244 0.079 8.099 933 HE1 MET 123 HE1 MET 123 -30.015 -1.547 9.254 934 HE2 MET 123 HE2 MET 123 -29.697 -3.283 9.491 935 HE3 MET 123 HE3 MET 123 -28.659 -2.071 10.275 936 H LEU 124 HN LEU 124 -23.547 1.408 7.140 937 HA LEU 124 HA LEU 124 -23.426 2.135 10.025 938 HB2 LEU 124 HB2 LEU 124 -21.407 1.098 7.968 939 HB3 LEU 124 HB3 LEU 124 -20.871 1.987 9.366 940 HG LEU 124 HG LEU 124 -20.691 -0.439 9.654 941 HD11 LEU 124 HD11 LEU 124 -22.663 0.829 11.600 942 HD12 LEU 124 HD12 LEU 124 -20.909 1.095 11.592 943 HD13 LEU 124 HD13 LEU 124 -21.551 -0.512 11.921 944 HD21 LEU 124 HD21 LEU 124 -22.768 -1.073 8.390 945 HD22 LEU 124 HD22 LEU 124 -23.727 -0.510 9.770 946 HD23 LEU 124 HD23 LEU 124 -22.610 -1.862 9.987 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 20.688 0.637 12.790 2 HA2 GLY 1 HA2 GLY 1 21.230 -1.163 10.502 3 HA3 GLY 1 HA1 GLY 1 20.306 -1.630 11.943 4 H MET 2 HN MET 2 19.680 -1.268 8.906 5 HA MET 2 HA MET 2 16.991 -0.173 9.331 6 HB2 MET 2 HB2 MET 2 18.878 0.615 7.066 7 HB3 MET 2 HB3 MET 2 17.128 0.679 6.920 8 HG2 MET 2 HG2 MET 2 17.407 2.804 7.590 9 HG3 MET 2 HG3 MET 2 17.261 2.047 9.164 10 HE1 MET 2 HE1 MET 2 20.117 2.454 6.463 11 HE2 MET 2 HE2 MET 2 19.378 4.054 6.681 12 HE3 MET 2 HE3 MET 2 21.059 3.766 7.186 13 H ARG 3 HN ARG 3 15.594 -1.018 7.589 14 HA ARG 3 HA ARG 3 16.397 -3.742 6.629 15 HB2 ARG 3 HB2 ARG 3 13.713 -2.462 7.329 16 HB3 ARG 3 HB3 ARG 3 13.830 -3.970 6.450 17 HG2 ARG 3 HG2 ARG 3 15.468 -3.955 8.936 18 HG3 ARG 3 HG3 ARG 3 13.733 -3.743 9.207 19 HD2 ARG 3 HD2 ARG 3 13.179 -5.732 8.030 20 HD3 ARG 3 HD3 ARG 3 14.824 -5.960 7.452 21 HE ARG 3 HE ARG 3 13.834 -6.337 10.230 22 HH11 ARG 3 HH11 ARG 3 16.543 -6.782 7.904 23 HH12 ARG 3 HH12 ARG 3 17.115 -8.203 8.675 24 HH21 ARG 3 HH21 ARG 3 14.703 -8.098 11.295 25 HH22 ARG 3 HH22 ARG 3 16.080 -8.959 10.674 26 H ILE 4 HN ILE 4 17.706 -2.492 5.048 27 HA ILE 4 HA ILE 4 16.203 -0.954 3.035 28 HB ILE 4 HB ILE 4 19.093 -1.879 2.922 29 HG12 ILE 4 HG12 ILE 4 17.969 0.820 3.822 30 HG13 ILE 4 HG13 ILE 4 18.657 -0.381 4.909 31 HG21 ILE 4 HG21 ILE 4 17.571 0.295 1.370 32 HG22 ILE 4 HG22 ILE 4 19.283 -0.134 1.159 33 HG23 ILE 4 HG23 ILE 4 18.031 -1.273 0.716 34 HD11 ILE 4 HD11 ILE 4 20.315 1.252 4.529 35 HD12 ILE 4 HD12 ILE 4 20.823 -0.227 3.689 36 HD13 ILE 4 HD13 ILE 4 20.151 1.151 2.773 37 HA PRO 5 HA PRO 5 15.464 -4.953 0.993 38 HB2 PRO 5 HB2 PRO 5 14.479 -4.069 -1.428 39 HB3 PRO 5 HB3 PRO 5 13.508 -4.135 0.066 40 HG2 PRO 5 HG2 PRO 5 14.914 -1.771 -1.172 41 HG3 PRO 5 HG3 PRO 5 13.303 -1.857 -0.367 42 HD2 PRO 5 HD2 PRO 5 15.561 -0.889 0.845 43 HD3 PRO 5 HD3 PRO 5 14.234 -1.692 1.741 44 H SER 6 HN SER 6 16.161 -6.177 -0.897 45 HA SER 6 HA SER 6 18.273 -4.897 -2.520 46 HB2 SER 6 HB2 SER 6 18.388 -7.611 -1.134 47 HB3 SER 6 HB3 SER 6 19.435 -7.149 -2.481 48 HG SER 6 HG SER 6 19.940 -5.244 -1.174 49 H ALA 7 HN ALA 7 15.254 -6.482 -2.488 50 HA ALA 7 HA ALA 7 15.577 -7.100 -5.388 51 HB1 ALA 7 HB1 ALA 7 14.139 -8.760 -3.255 52 HB2 ALA 7 HB2 ALA 7 14.060 -9.047 -5.004 53 HB3 ALA 7 HB3 ALA 7 15.606 -9.241 -4.148 54 H ILE 8 HN ILE 8 14.874 -4.765 -5.329 55 HA ILE 8 HA ILE 8 12.000 -4.430 -4.867 56 HB ILE 8 HB ILE 8 13.930 -2.683 -6.458 57 HG12 ILE 8 HG12 ILE 8 14.617 -2.681 -4.125 58 HG13 ILE 8 HG13 ILE 8 13.890 -1.145 -4.592 59 HG21 ILE 8 HG21 ILE 8 11.731 -2.249 -7.230 60 HG22 ILE 8 HG22 ILE 8 11.034 -2.443 -5.638 61 HG23 ILE 8 HG23 ILE 8 12.006 -0.990 -6.027 62 HD11 ILE 8 HD11 ILE 8 12.993 -1.592 -2.495 63 HD12 ILE 8 HD12 ILE 8 11.687 -2.046 -3.564 64 HD13 ILE 8 HD13 ILE 8 12.709 -3.324 -2.864 65 H GLN 9 HN GLN 9 10.796 -5.800 -5.950 66 HA GLN 9 HA GLN 9 11.094 -6.015 -8.897 67 HB2 GLN 9 HB2 GLN 9 10.481 -8.077 -6.778 68 HB3 GLN 9 HB3 GLN 9 9.780 -8.217 -8.400 69 HG2 GLN 9 HG2 GLN 9 11.897 -8.261 -9.443 70 HG3 GLN 9 HG3 GLN 9 12.754 -7.908 -7.917 71 HE21 GLN 9 HE21 GLN 9 10.119 -10.241 -8.728 72 HE22 GLN 9 HE22 GLN 9 11.078 -11.680 -8.570 73 H LEU 10 HN LEU 10 9.582 -4.855 -9.826 74 HA LEU 10 HA LEU 10 7.116 -4.246 -8.393 75 HB2 LEU 10 HB2 LEU 10 6.776 -2.503 -9.831 76 HB3 LEU 10 HB3 LEU 10 8.528 -2.537 -9.726 77 HG LEU 10 HG LEU 10 6.852 -3.586 -12.048 78 HD11 LEU 10 HD11 LEU 10 7.867 -1.664 -13.234 79 HD12 LEU 10 HD12 LEU 10 8.604 -1.124 -11.717 80 HD13 LEU 10 HD13 LEU 10 6.836 -1.156 -11.882 81 HD21 LEU 10 HD21 LEU 10 9.884 -3.369 -11.759 82 HD22 LEU 10 HD22 LEU 10 8.987 -3.850 -13.218 83 HD23 LEU 10 HD23 LEU 10 8.958 -4.889 -11.818 84 H HIS 11 HN HIS 11 8.062 -6.698 -10.476 85 HA HIS 11 HA HIS 11 7.091 -8.036 -12.026 86 HB2 HIS 11 HB2 HIS 11 5.020 -7.925 -9.821 87 HB3 HIS 11 HB3 HIS 11 4.994 -9.097 -11.138 88 HD1 HIS 11 HD1 HIS 11 6.745 -11.020 -11.101 89 HD2 HIS 11 HD2 HIS 11 7.092 -8.212 -7.975 90 HE1 HIS 11 HE1 HIS 11 8.448 -11.969 -9.435 91 H LYS 12 HN LYS 12 7.030 -6.198 -13.616 92 HA LYS 12 HA LYS 12 4.724 -4.653 -14.094 93 HB2 LYS 12 HB2 LYS 12 6.897 -5.743 -15.910 94 HB3 LYS 12 HB3 LYS 12 5.514 -4.966 -16.640 95 HG2 LYS 12 HG2 LYS 12 7.318 -3.596 -14.615 96 HG3 LYS 12 HG3 LYS 12 7.507 -3.518 -16.364 97 HD2 LYS 12 HD2 LYS 12 4.908 -2.753 -16.175 98 HD3 LYS 12 HD3 LYS 12 5.479 -2.158 -14.616 99 HE2 LYS 12 HE2 LYS 12 6.791 -1.558 -17.316 100 HE3 LYS 12 HE3 LYS 12 5.540 -0.545 -16.620 101 HZ1 LYS 12 HZ1 LYS 12 7.823 0.224 -16.281 102 HZ2 LYS 12 HZ2 LYS 12 8.153 -1.024 -15.312 103 HZ3 LYS 12 HZ3 LYS 12 7.009 0.098 -14.867 104 H ALA 13 HN ALA 13 5.307 -8.043 -14.783 105 HA ALA 13 HA ALA 13 3.214 -8.915 -16.308 106 HB1 ALA 13 HB1 ALA 13 4.960 -10.352 -15.352 107 HB2 ALA 13 HB2 ALA 13 4.326 -10.102 -13.717 108 HB3 ALA 13 HB3 ALA 13 3.359 -10.962 -14.920 109 H SER 14 HN SER 14 2.982 -8.667 -12.709 110 HA SER 14 HA SER 14 0.025 -8.511 -12.957 111 HB2 SER 14 HB2 SER 14 1.640 -10.228 -11.042 112 HB3 SER 14 HB3 SER 14 -0.123 -10.149 -11.172 113 HG SER 14 HG SER 14 0.130 -11.698 -12.508 114 H LYS 15 HN LYS 15 2.351 -6.580 -12.119 115 HA LYS 15 HA LYS 15 2.631 -4.751 -10.878 116 HB2 LYS 15 HB2 LYS 15 -0.312 -4.678 -10.246 117 HB3 LYS 15 HB3 LYS 15 0.800 -3.342 -10.454 118 HG2 LYS 15 HG2 LYS 15 0.659 -4.864 -12.982 119 HG3 LYS 15 HG3 LYS 15 -0.942 -4.732 -12.329 120 HD2 LYS 15 HD2 LYS 15 -0.069 -2.154 -12.096 121 HD3 LYS 15 HD3 LYS 15 0.906 -2.642 -13.438 122 HE2 LYS 15 HE2 LYS 15 -2.109 -2.974 -13.199 123 HE3 LYS 15 HE3 LYS 15 -1.326 -1.652 -14.085 124 HZ1 LYS 15 HZ1 LYS 15 -2.043 -3.257 -15.574 125 HZ2 LYS 15 HZ2 LYS 15 -1.330 -4.510 -14.787 126 HZ3 LYS 15 HZ3 LYS 15 -0.408 -3.377 -15.578 127 H THR 16 HN THR 16 3.357 -6.930 -9.536 128 HA THR 16 HA THR 16 2.208 -6.684 -6.784 129 HB THR 16 HB THR 16 3.730 -8.938 -8.159 130 HG1 THR 16 HG1 THR 16 1.007 -8.370 -7.716 131 HG21 THR 16 HG21 THR 16 4.154 -9.003 -5.782 132 HG22 THR 16 HG22 THR 16 3.027 -10.300 -6.226 133 HG23 THR 16 HG23 THR 16 2.406 -8.847 -5.417 134 H LEU 17 HN LEU 17 3.506 -5.764 -5.232 135 HA LEU 17 HA LEU 17 6.339 -5.152 -5.949 136 HB2 LEU 17 HB2 LEU 17 5.077 -3.259 -5.125 137 HB3 LEU 17 HB3 LEU 17 4.553 -4.158 -3.706 138 HG LEU 17 HG LEU 17 6.685 -4.161 -2.710 139 HD11 LEU 17 HD11 LEU 17 8.768 -3.304 -3.726 140 HD12 LEU 17 HD12 LEU 17 7.920 -3.221 -5.304 141 HD13 LEU 17 HD13 LEU 17 8.212 -4.752 -4.498 142 HD21 LEU 17 HD21 LEU 17 6.463 -1.446 -4.114 143 HD22 LEU 17 HD22 LEU 17 7.293 -1.788 -2.563 144 HD23 LEU 17 HD23 LEU 17 5.552 -1.947 -2.678 145 H THR 18 HN THR 18 7.735 -6.750 -5.453 146 HA THR 18 HA THR 18 7.044 -8.582 -3.202 147 HB THR 18 HB THR 18 9.138 -8.908 -5.359 148 HG1 THR 18 HG1 THR 18 7.664 -10.000 -6.440 149 HG21 THR 18 HG21 THR 18 8.031 -10.879 -3.303 150 HG22 THR 18 HG22 THR 18 9.670 -10.189 -3.303 151 HG23 THR 18 HG23 THR 18 9.168 -11.273 -4.611 152 H LEU 19 HN LEU 19 8.108 -8.415 -1.337 153 HA LEU 19 HA LEU 19 10.550 -6.747 -1.134 154 HB2 LEU 19 HB2 LEU 19 8.033 -6.610 0.555 155 HB3 LEU 19 HB3 LEU 19 9.593 -6.111 1.169 156 HG LEU 19 HG LEU 19 8.075 -4.837 -1.107 157 HD11 LEU 19 HD11 LEU 19 8.081 -2.898 0.403 158 HD12 LEU 19 HD12 LEU 19 9.059 -3.787 1.592 159 HD13 LEU 19 HD13 LEU 19 7.395 -4.299 1.234 160 HD21 LEU 19 HD21 LEU 19 10.390 -4.691 -1.808 161 HD22 LEU 19 HD22 LEU 19 10.917 -4.257 -0.153 162 HD23 LEU 19 HD23 LEU 19 9.945 -3.134 -1.123 163 H ARG 20 HN ARG 20 12.132 -8.085 -0.536 164 HA ARG 20 HA ARG 20 11.496 -10.637 0.805 165 HB2 ARG 20 HB2 ARG 20 13.190 -10.506 -0.984 166 HB3 ARG 20 HB3 ARG 20 14.128 -9.400 0.025 167 HG2 ARG 20 HG2 ARG 20 14.162 -11.317 1.803 168 HG3 ARG 20 HG3 ARG 20 13.503 -12.337 0.528 169 HD2 ARG 20 HD2 ARG 20 15.857 -12.641 0.492 170 HD3 ARG 20 HD3 ARG 20 15.493 -11.622 -0.912 171 HE ARG 20 HE ARG 20 16.073 -10.083 1.464 172 HH11 ARG 20 HH11 ARG 20 17.609 -11.711 -1.295 173 HH12 ARG 20 HH12 ARG 20 19.190 -11.111 -0.937 174 HH21 ARG 20 HH21 ARG 20 18.270 -9.366 2.008 175 HH22 ARG 20 HH22 ARG 20 19.565 -9.918 1.046 176 H TYR 21 HN TYR 21 10.643 -9.888 2.921 177 HA TYR 21 HA TYR 21 12.178 -8.057 4.484 178 HB2 TYR 21 HB2 TYR 21 9.738 -8.510 4.796 179 HB3 TYR 21 HB3 TYR 21 10.160 -10.026 5.555 180 HD1 TYR 21 HD1 TYR 21 12.390 -9.459 7.467 181 HD2 TYR 21 HD2 TYR 21 8.985 -6.985 6.397 182 HE1 TYR 21 HE1 TYR 21 12.524 -8.404 9.577 183 HE2 TYR 21 HE2 TYR 21 9.144 -5.898 8.616 184 HH TYR 21 HH TYR 21 10.066 -6.090 10.756 185 H GLY 22 HN GLY 22 14.334 -8.685 4.639 186 HA2 GLY 22 HA2 GLY 22 16.050 -9.590 5.892 187 HA3 GLY 22 HA1 GLY 22 14.853 -10.456 6.847 188 H GLU 23 HN GLU 23 14.092 -12.417 6.095 189 HA GLU 23 HA GLU 23 15.497 -13.875 3.945 190 HB2 GLU 23 HB2 GLU 23 15.084 -14.896 6.788 191 HB3 GLU 23 HB3 GLU 23 15.800 -15.786 5.442 192 HG2 GLU 23 HG2 GLU 23 17.515 -13.950 5.319 193 HG3 GLU 23 HG3 GLU 23 16.870 -13.273 6.801 194 H ASP 24 HN ASP 24 12.607 -12.812 5.272 195 HA ASP 24 HA ASP 24 10.832 -14.968 4.345 196 HB2 ASP 24 HB2 ASP 24 10.095 -12.119 5.101 197 HB3 ASP 24 HB3 ASP 24 9.052 -13.509 5.031 198 H SER 25 HN SER 25 9.201 -14.241 2.394 199 HA SER 25 HA SER 25 9.929 -11.735 1.183 200 HB2 SER 25 HB2 SER 25 9.512 -13.182 -0.943 201 HB3 SER 25 HB3 SER 25 11.141 -12.960 -0.301 202 HG SER 25 HG SER 25 10.138 -15.138 -0.954 203 H TYR 26 HN TYR 26 8.196 -10.599 0.959 204 HA TYR 26 HA TYR 26 5.539 -11.960 0.866 205 HB2 TYR 26 HB2 TYR 26 6.254 -9.194 1.907 206 HB3 TYR 26 HB3 TYR 26 4.662 -9.940 1.923 207 HD1 TYR 26 HD1 TYR 26 4.484 -12.257 3.161 208 HD2 TYR 26 HD2 TYR 26 7.604 -9.379 3.881 209 HE1 TYR 26 HE1 TYR 26 4.897 -13.272 5.385 210 HE2 TYR 26 HE2 TYR 26 7.986 -10.364 6.144 211 HH TYR 26 HH TYR 26 7.609 -12.581 7.302 212 H ASP 27 HN ASP 27 4.121 -11.247 -0.767 213 HA ASP 27 HA ASP 27 5.220 -9.435 -2.837 214 HB2 ASP 27 HB2 ASP 27 4.486 -10.939 -4.506 215 HB3 ASP 27 HB3 ASP 27 5.451 -11.847 -3.368 216 H LEU 28 HN LEU 28 4.098 -7.611 -2.265 217 HA LEU 28 HA LEU 28 1.311 -7.906 -1.441 218 HB2 LEU 28 HB2 LEU 28 2.825 -5.310 -1.702 219 HB3 LEU 28 HB3 LEU 28 1.466 -5.716 -0.654 220 HG LEU 28 HG LEU 28 4.390 -6.485 -0.378 221 HD11 LEU 28 HD11 LEU 28 4.369 -5.128 1.484 222 HD12 LEU 28 HD12 LEU 28 2.655 -5.434 1.815 223 HD13 LEU 28 HD13 LEU 28 3.132 -4.307 0.529 224 HD21 LEU 28 HD21 LEU 28 3.309 -8.576 0.232 225 HD22 LEU 28 HD22 LEU 28 2.058 -7.724 1.139 226 HD23 LEU 28 HD23 LEU 28 3.732 -7.754 1.719 227 HA PRO 29 HA PRO 29 -0.230 -6.553 -5.423 228 HB2 PRO 29 HB2 PRO 29 -2.795 -5.796 -4.826 229 HB3 PRO 29 HB3 PRO 29 -2.268 -7.500 -4.812 230 HG2 PRO 29 HG2 PRO 29 -2.520 -5.616 -2.489 231 HG3 PRO 29 HG3 PRO 29 -3.121 -7.290 -2.599 232 HD2 PRO 29 HD2 PRO 29 -0.744 -6.720 -1.351 233 HD3 PRO 29 HD3 PRO 29 -0.938 -8.193 -2.324 234 H ALA 30 HN ALA 30 -0.643 -4.603 -6.598 235 HA ALA 30 HA ALA 30 0.487 -2.246 -5.621 236 HB1 ALA 30 HB1 ALA 30 0.255 -2.660 -7.996 237 HB2 ALA 30 HB2 ALA 30 -1.523 -2.656 -7.898 238 HB3 ALA 30 HB3 ALA 30 -0.614 -1.163 -7.615 239 H GLU 31 HN GLU 31 -3.002 -3.148 -5.711 240 HA GLU 31 HA GLU 31 -3.892 -0.662 -4.753 241 HB2 GLU 31 HB2 GLU 31 -5.985 -1.607 -4.389 242 HB3 GLU 31 HB3 GLU 31 -5.333 -2.371 -5.836 243 HG2 GLU 31 HG2 GLU 31 -4.764 -4.396 -4.500 244 HG3 GLU 31 HG3 GLU 31 -5.418 -3.621 -3.048 245 H PHE 32 HN PHE 32 -2.560 -3.399 -2.893 246 HA PHE 32 HA PHE 32 -3.582 -2.559 -0.362 247 HB2 PHE 32 HB2 PHE 32 -2.657 -4.722 -0.510 248 HB3 PHE 32 HB3 PHE 32 -1.123 -4.132 -1.159 249 HD1 PHE 32 HD2 PHE 32 -3.291 -3.959 1.906 250 HD2 PHE 32 HD1 PHE 32 0.701 -3.752 0.285 251 HE1 PHE 32 HE2 PHE 32 -2.369 -3.943 4.177 252 HE2 PHE 32 HE1 PHE 32 1.612 -3.725 2.578 253 HZ PHE 32 HZ PHE 32 0.103 -3.814 4.543 254 H LEU 33 HN LEU 33 -0.438 -1.738 -1.985 255 HA LEU 33 HA LEU 33 0.344 0.089 0.123 256 HB2 LEU 33 HB2 LEU 33 1.228 -0.092 -2.772 257 HB3 LEU 33 HB3 LEU 33 1.894 1.022 -1.586 258 HG LEU 33 HG LEU 33 1.994 -1.596 -0.405 259 HD11 LEU 33 HD11 LEU 33 1.809 -2.472 -2.734 260 HD12 LEU 33 HD12 LEU 33 3.392 -2.799 -2.014 261 HD13 LEU 33 HD13 LEU 33 3.218 -1.490 -3.196 262 HD21 LEU 33 HD21 LEU 33 4.432 -1.143 -0.438 263 HD22 LEU 33 HD22 LEU 33 3.513 0.269 0.107 264 HD23 LEU 33 HD23 LEU 33 4.173 0.215 -1.544 265 H ARG 34 HN ARG 34 -1.547 0.529 -2.910 266 HA ARG 34 HA ARG 34 -1.574 3.361 -2.749 267 HB2 ARG 34 HB2 ARG 34 -2.184 2.130 -4.793 268 HB3 ARG 34 HB3 ARG 34 -3.588 1.433 -3.980 269 HG2 ARG 34 HG2 ARG 34 -4.221 3.260 -5.514 270 HG3 ARG 34 HG3 ARG 34 -4.710 3.567 -3.864 271 HD2 ARG 34 HD2 ARG 34 -2.608 5.047 -3.621 272 HD3 ARG 34 HD3 ARG 34 -2.221 4.693 -5.297 273 HE ARG 34 HE ARG 34 -3.582 6.368 -5.901 274 HH11 ARG 34 HH11 ARG 34 -4.425 5.578 -2.509 275 HH12 ARG 34 HH12 ARG 34 -5.562 6.907 -2.423 276 HH21 ARG 34 HH21 ARG 34 -5.222 7.921 -5.766 277 HH22 ARG 34 HH22 ARG 34 -6.042 8.184 -4.213 278 H VAL 35 HN VAL 35 -3.241 1.101 -0.653 279 HA VAL 35 HA VAL 35 -5.087 3.307 0.124 280 HB VAL 35 HB VAL 35 -6.480 1.780 1.161 281 HG11 VAL 35 HG11 VAL 35 -5.991 0.562 -1.568 282 HG12 VAL 35 HG12 VAL 35 -7.503 1.104 -0.816 283 HG13 VAL 35 HG13 VAL 35 -6.339 2.277 -1.482 284 HG21 VAL 35 HG21 VAL 35 -4.847 0.024 1.861 285 HG22 VAL 35 HG22 VAL 35 -6.282 -0.619 1.052 286 HG23 VAL 35 HG23 VAL 35 -4.749 -0.511 0.168 287 H HIS 36 HN HIS 36 -2.284 1.490 1.378 288 HA HIS 36 HA HIS 36 -2.483 3.234 3.794 289 HB2 HIS 36 HB2 HIS 36 -1.970 0.643 3.870 290 HB3 HIS 36 HB3 HIS 36 -0.328 1.186 3.514 291 HD1 HIS 36 HD1 HIS 36 -0.467 3.849 5.425 292 HD2 HIS 36 HD2 HIS 36 -1.479 -0.133 6.426 293 HE1 HIS 36 HE1 HIS 36 -0.183 3.644 7.912 294 H SER 37 HN SER 37 -2.286 4.929 1.874 295 HA SER 37 HA SER 37 0.521 5.391 1.137 296 HB2 SER 37 HB2 SER 37 -0.678 6.857 -0.552 297 HB3 SER 37 HB3 SER 37 -0.849 5.096 -0.736 298 HG SER 37 HG SER 37 -2.648 6.934 0.440 299 HA PRO 38 HA PRO 38 -0.424 8.698 4.256 300 HB2 PRO 38 HB2 PRO 38 2.091 8.873 5.344 301 HB3 PRO 38 HB3 PRO 38 0.901 7.631 5.869 302 HG2 PRO 38 HG2 PRO 38 3.201 7.305 3.981 303 HG3 PRO 38 HG3 PRO 38 2.648 6.240 5.307 304 HD2 PRO 38 HD2 PRO 38 1.970 5.826 2.663 305 HD3 PRO 38 HD3 PRO 38 0.872 5.398 4.023 306 H SER 39 HN SER 39 -0.459 10.676 3.279 307 HA SER 39 HA SER 39 1.515 11.767 1.481 308 HB2 SER 39 HB2 SER 39 -0.256 13.120 3.565 309 HB3 SER 39 HB3 SER 39 0.549 13.877 2.187 310 HG SER 39 HG SER 39 -0.781 12.884 0.789 311 H ALA 40 HN ALA 40 3.539 12.452 2.114 312 HA ALA 40 HA ALA 40 4.306 11.969 4.967 313 HB1 ALA 40 HB1 ALA 40 5.595 10.696 3.387 314 HB2 ALA 40 HB2 ALA 40 5.980 12.152 2.450 315 HB3 ALA 40 HB3 ALA 40 6.617 11.954 4.096 316 H GLU 41 HN GLU 41 3.160 14.436 3.105 317 HA GLU 41 HA GLU 41 4.904 16.521 4.070 318 HB2 GLU 41 HB2 GLU 41 2.135 16.835 2.824 319 HB3 GLU 41 HB3 GLU 41 3.434 18.019 2.833 320 HG2 GLU 41 HG2 GLU 41 3.442 17.302 0.665 321 HG3 GLU 41 HG3 GLU 41 4.719 16.330 1.363 322 H VAL 42 HN VAL 42 3.200 14.856 5.817 323 HA VAL 42 HA VAL 42 1.354 16.747 7.106 324 HB VAL 42 HB VAL 42 1.878 13.831 7.800 325 HG11 VAL 42 HG11 VAL 42 -0.389 14.053 8.871 326 HG12 VAL 42 HG12 VAL 42 0.850 15.041 9.667 327 HG13 VAL 42 HG13 VAL 42 -0.329 15.800 8.575 328 HG21 VAL 42 HG21 VAL 42 -0.148 13.348 6.533 329 HG22 VAL 42 HG22 VAL 42 -0.358 15.063 6.141 330 HG23 VAL 42 HG23 VAL 42 1.005 14.172 5.468 331 H GLN 43 HN GLN 43 3.667 14.460 8.675 332 HA GLN 43 HA GLN 43 5.226 14.756 10.293 333 HB2 GLN 43 HB2 GLN 43 5.554 17.467 8.999 334 HB3 GLN 43 HB3 GLN 43 6.749 16.637 9.992 335 HG2 GLN 43 HG2 GLN 43 7.298 15.087 8.347 336 HG3 GLN 43 HG3 GLN 43 5.736 15.160 7.551 337 HE21 GLN 43 HE21 GLN 43 5.293 17.753 6.819 338 HE22 GLN 43 HE22 GLN 43 6.454 18.055 5.553 339 H GLY 44 HN GLY 44 2.913 14.865 11.378 340 HA2 GLY 44 HA2 GLY 44 3.246 16.434 13.712 341 HA3 GLY 44 HA1 GLY 44 2.146 17.319 12.664 342 H HIS 45 HN HIS 45 1.124 14.311 11.918 343 HA HIS 45 HA HIS 45 0.278 12.949 14.088 344 HB2 HIS 45 HB2 HIS 45 -2.120 13.359 14.370 345 HB3 HIS 45 HB3 HIS 45 -1.188 14.715 14.900 346 HD1 HIS 45 HD1 HIS 45 -3.740 13.766 12.236 347 HD2 HIS 45 HD2 HIS 45 -1.343 16.926 13.520 348 HE1 HIS 45 HE1 HIS 45 -4.498 15.808 10.879 349 H GLY 46 HN GLY 46 -2.055 11.708 13.257 350 HA2 GLY 46 HA2 GLY 46 -2.065 11.532 10.296 351 HA3 GLY 46 HA1 GLY 46 -2.300 10.093 11.310 352 H ASN 47 HN ASN 47 -4.369 11.023 9.548 353 HA ASN 47 HA ASN 47 -6.529 11.795 11.385 354 HB2 ASN 47 HB2 ASN 47 -7.355 13.397 9.656 355 HB3 ASN 47 HB3 ASN 47 -5.833 13.902 10.368 356 HD21 ASN 47 HD21 ASN 47 -7.430 12.989 7.250 357 HD22 ASN 47 HD22 ASN 47 -5.929 13.043 6.371 358 HA PRO 48 HA PRO 48 -8.394 8.505 9.322 359 HB2 PRO 48 HB2 PRO 48 -11.078 9.007 9.253 360 HB3 PRO 48 HB3 PRO 48 -10.172 8.579 10.703 361 HG2 PRO 48 HG2 PRO 48 -10.928 11.350 9.743 362 HG3 PRO 48 HG3 PRO 48 -11.059 10.671 11.382 363 HD2 PRO 48 HD2 PRO 48 -8.988 12.282 10.636 364 HD3 PRO 48 HD3 PRO 48 -8.728 10.900 11.735 365 H VAL 49 HN VAL 49 -7.928 8.087 7.252 366 HA VAL 49 HA VAL 49 -9.084 9.715 5.090 367 HB VAL 49 HB VAL 49 -6.902 10.351 5.591 368 HG11 VAL 49 HG11 VAL 49 -5.896 8.513 6.707 369 HG12 VAL 49 HG12 VAL 49 -5.941 7.503 5.268 370 HG13 VAL 49 HG13 VAL 49 -4.875 8.929 5.342 371 HG21 VAL 49 HG21 VAL 49 -7.434 10.543 3.277 372 HG22 VAL 49 HG22 VAL 49 -5.751 10.072 3.393 373 HG23 VAL 49 HG23 VAL 49 -6.967 8.842 2.961 374 H LEU 50 HN LEU 50 -9.582 8.564 3.168 375 HA LEU 50 HA LEU 50 -9.674 5.654 3.409 376 HB2 LEU 50 HB2 LEU 50 -11.812 7.337 3.932 377 HB3 LEU 50 HB3 LEU 50 -11.983 7.124 2.195 378 HG LEU 50 HG LEU 50 -13.335 5.593 3.282 379 HD11 LEU 50 HD11 LEU 50 -12.080 4.776 1.350 380 HD12 LEU 50 HD12 LEU 50 -12.721 3.537 2.447 381 HD13 LEU 50 HD13 LEU 50 -10.985 3.954 2.516 382 HD21 LEU 50 HD21 LEU 50 -12.594 3.928 4.949 383 HD22 LEU 50 HD22 LEU 50 -12.267 5.573 5.516 384 HD23 LEU 50 HD23 LEU 50 -10.945 4.579 4.875 385 H GLN 51 HN GLN 51 -9.583 4.620 1.447 386 HA GLN 51 HA GLN 51 -8.798 6.224 -0.924 387 HB2 GLN 51 HB2 GLN 51 -7.395 3.739 0.101 388 HB3 GLN 51 HB3 GLN 51 -6.888 4.820 -1.191 389 HG2 GLN 51 HG2 GLN 51 -5.503 5.328 0.653 390 HG3 GLN 51 HG3 GLN 51 -6.668 6.644 0.576 391 HE21 GLN 51 HE21 GLN 51 -6.084 7.027 2.843 392 HE22 GLN 51 HE22 GLN 51 -6.961 6.144 4.083 393 H TYR 52 HN TYR 52 -11.180 5.481 -1.136 394 HA TYR 52 HA TYR 52 -11.679 2.772 -2.183 395 HB2 TYR 52 HB2 TYR 52 -13.937 3.680 -2.597 396 HB3 TYR 52 HB3 TYR 52 -13.536 3.758 -0.967 397 HD1 TYR 52 HD1 TYR 52 -12.602 6.272 -0.196 398 HD2 TYR 52 HD2 TYR 52 -14.640 5.424 -3.925 399 HE1 TYR 52 HE1 TYR 52 -13.379 8.609 -0.328 400 HE2 TYR 52 HE2 TYR 52 -15.383 7.703 -4.065 401 HH TYR 52 HH TYR 52 -15.330 9.903 -2.992 402 H GLY 53 HN GLY 53 -13.153 3.018 -4.297 403 HA2 GLY 53 HA2 GLY 53 -13.160 3.114 -6.541 404 HA3 GLY 53 HA1 GLY 53 -12.395 4.700 -6.410 405 H LYS 54 HN LYS 54 -10.502 2.141 -5.012 406 HA LYS 54 HA LYS 54 -8.607 2.181 -7.323 407 HB2 LYS 54 HB2 LYS 54 -8.273 2.934 -4.411 408 HB3 LYS 54 HB3 LYS 54 -6.925 2.152 -5.209 409 HG2 LYS 54 HG2 LYS 54 -6.935 4.691 -5.102 410 HG3 LYS 54 HG3 LYS 54 -6.445 3.886 -6.592 411 HD2 LYS 54 HD2 LYS 54 -8.474 4.409 -7.698 412 HD3 LYS 54 HD3 LYS 54 -9.237 4.993 -6.205 413 HE2 LYS 54 HE2 LYS 54 -8.255 7.025 -6.288 414 HE3 LYS 54 HE3 LYS 54 -6.744 6.402 -6.953 415 HZ1 LYS 54 HZ1 LYS 54 -7.862 6.146 -9.093 416 HZ2 LYS 54 HZ2 LYS 54 -7.906 7.719 -8.596 417 HZ3 LYS 54 HZ3 LYS 54 -9.240 6.756 -8.503 418 H LEU 55 HN LEU 55 -10.505 0.189 -7.092 419 HA LEU 55 HA LEU 55 -9.361 -2.162 -5.788 420 HB2 LEU 55 HB2 LEU 55 -11.778 -1.963 -6.352 421 HB3 LEU 55 HB3 LEU 55 -11.452 -1.922 -8.061 422 HG LEU 55 HG LEU 55 -10.557 -4.266 -7.892 423 HD11 LEU 55 HD11 LEU 55 -11.181 -3.888 -4.930 424 HD12 LEU 55 HD12 LEU 55 -9.657 -4.415 -5.669 425 HD13 LEU 55 HD13 LEU 55 -11.055 -5.480 -5.659 426 HD21 LEU 55 HD21 LEU 55 -12.936 -3.887 -8.311 427 HD22 LEU 55 HD22 LEU 55 -13.278 -3.806 -6.574 428 HD23 LEU 55 HD23 LEU 55 -12.733 -5.327 -7.311 429 H ASN 56 HN ASN 56 -9.296 -0.648 -9.018 430 HA ASN 56 HA ASN 56 -7.666 -2.919 -10.023 431 HB2 ASN 56 HB2 ASN 56 -9.321 -0.900 -11.560 432 HB3 ASN 56 HB3 ASN 56 -8.468 -2.298 -12.224 433 HD21 ASN 56 HD21 ASN 56 -11.519 -1.405 -11.648 434 HD22 ASN 56 HD22 ASN 56 -12.225 -2.916 -11.171 435 H VAL 57 HN VAL 57 -6.783 -0.318 -8.575 436 HA VAL 57 HA VAL 57 -5.174 1.190 -10.347 437 HB VAL 57 HB VAL 57 -5.548 2.076 -8.162 438 HG11 VAL 57 HG11 VAL 57 -4.107 -0.319 -6.973 439 HG12 VAL 57 HG12 VAL 57 -4.798 1.064 -6.092 440 HG13 VAL 57 HG13 VAL 57 -5.851 -0.077 -6.925 441 HG21 VAL 57 HG21 VAL 57 -2.618 1.181 -8.145 442 HG22 VAL 57 HG22 VAL 57 -3.249 2.479 -9.177 443 HG23 VAL 57 HG23 VAL 57 -3.301 2.632 -7.412 444 H GLY 58 HN GLY 58 -3.221 0.966 -11.189 445 HA2 GLY 58 HA2 GLY 58 -1.728 -1.526 -10.523 446 HA3 GLY 58 HA1 GLY 58 -1.764 -0.776 -12.112 447 H LEU 59 HN LEU 59 0.300 -1.320 -9.920 448 HA LEU 59 HA LEU 59 1.748 1.146 -9.508 449 HB2 LEU 59 HB2 LEU 59 2.159 -1.713 -9.073 450 HB3 LEU 59 HB3 LEU 59 3.474 -1.115 -10.039 451 HG LEU 59 HG LEU 59 3.951 -1.151 -7.635 452 HD11 LEU 59 HD11 LEU 59 3.989 1.566 -8.952 453 HD12 LEU 59 HD12 LEU 59 5.217 0.297 -9.133 454 HD13 LEU 59 HD13 LEU 59 4.981 1.093 -7.570 455 HD21 LEU 59 HD21 LEU 59 2.933 0.338 -6.093 456 HD22 LEU 59 HD22 LEU 59 1.626 -0.501 -6.955 457 HD23 LEU 59 HD23 LEU 59 2.040 1.184 -7.371 458 H VAL 60 HN VAL 60 3.198 2.121 -10.824 459 HA VAL 60 HA VAL 60 3.333 1.186 -13.642 460 HB VAL 60 HB VAL 60 3.881 3.799 -13.864 461 HG11 VAL 60 HG11 VAL 60 1.394 4.050 -14.333 462 HG12 VAL 60 HG12 VAL 60 2.146 2.657 -15.110 463 HG13 VAL 60 HG13 VAL 60 1.176 2.420 -13.648 464 HG21 VAL 60 HG21 VAL 60 1.970 3.757 -11.508 465 HG22 VAL 60 HG22 VAL 60 3.658 4.347 -11.511 466 HG23 VAL 60 HG23 VAL 60 2.420 5.155 -12.479 467 H GLY 61 HN GLY 61 5.229 2.550 -10.935 468 HA2 GLY 61 HA2 GLY 61 7.625 1.200 -11.554 469 HA3 GLY 61 HA1 GLY 61 7.707 2.853 -12.223 470 H VAL 62 HN VAL 62 9.479 2.183 -10.173 471 HA VAL 62 HA VAL 62 8.907 4.036 -8.132 472 HB VAL 62 HB VAL 62 7.377 2.470 -7.359 473 HG11 VAL 62 HG11 VAL 62 7.912 0.437 -8.540 474 HG12 VAL 62 HG12 VAL 62 9.391 0.251 -7.566 475 HG13 VAL 62 HG13 VAL 62 7.779 0.138 -6.813 476 HG21 VAL 62 HG21 VAL 62 8.849 3.342 -5.526 477 HG22 VAL 62 HG22 VAL 62 7.883 1.920 -5.169 478 HG23 VAL 62 HG23 VAL 62 9.624 1.749 -5.555 479 H GLU 63 HN GLU 63 10.901 4.631 -7.185 480 HA GLU 63 HA GLU 63 13.201 2.874 -7.317 481 HB2 GLU 63 HB2 GLU 63 12.840 5.370 -8.993 482 HB3 GLU 63 HB3 GLU 63 14.404 5.134 -8.268 483 HG2 GLU 63 HG2 GLU 63 13.872 2.593 -9.253 484 HG3 GLU 63 HG3 GLU 63 13.083 3.633 -10.430 485 HA PRO 64 HA PRO 64 14.469 4.559 -3.562 486 HB2 PRO 64 HB2 PRO 64 17.210 5.123 -4.046 487 HB3 PRO 64 HB3 PRO 64 16.486 3.576 -3.511 488 HG2 PRO 64 HG2 PRO 64 17.284 4.478 -6.257 489 HG3 PRO 64 HG3 PRO 64 17.435 2.855 -5.507 490 HD2 PRO 64 HD2 PRO 64 15.475 3.471 -7.291 491 HD3 PRO 64 HD3 PRO 64 15.149 2.387 -5.916 492 H ALA 65 HN ALA 65 14.639 6.440 -2.441 493 HA ALA 65 HA ALA 65 14.902 9.010 -3.914 494 HB1 ALA 65 HB1 ALA 65 12.802 8.325 -1.837 495 HB2 ALA 65 HB2 ALA 65 13.042 9.899 -2.646 496 HB3 ALA 65 HB3 ALA 65 12.529 8.490 -3.580 497 H GLY 66 HN GLY 66 17.143 8.076 -2.808 498 HA2 GLY 66 HA2 GLY 66 18.602 9.576 -1.461 499 HA3 GLY 66 HA1 GLY 66 17.365 9.499 -0.204 500 H GLN 67 HN GLN 67 18.253 8.390 1.439 501 HA GLN 67 HA GLN 67 19.399 5.675 0.924 502 HB2 GLN 67 HB2 GLN 67 20.526 7.703 2.887 503 HB3 GLN 67 HB3 GLN 67 21.153 6.088 2.506 504 HG2 GLN 67 HG2 GLN 67 21.423 6.862 0.102 505 HG3 GLN 67 HG3 GLN 67 21.046 8.498 0.675 506 HE21 GLN 67 HE21 GLN 67 22.640 9.662 1.828 507 HE22 GLN 67 HE22 GLN 67 24.273 9.050 2.080 508 H TYR 68 HN TYR 68 16.707 6.774 1.977 509 HA TYR 68 HA TYR 68 16.390 4.815 4.129 510 HB2 TYR 68 HB2 TYR 68 15.371 6.703 5.617 511 HB3 TYR 68 HB3 TYR 68 17.101 6.411 5.584 512 HD1 TYR 68 HD2 TYR 68 14.427 8.712 4.359 513 HD2 TYR 68 HD1 TYR 68 18.667 8.016 4.737 514 HE1 TYR 68 HE2 TYR 68 14.863 10.990 3.552 515 HE2 TYR 68 HE1 TYR 68 19.129 10.272 3.844 516 HH TYR 68 HH TYR 68 16.499 12.535 2.894 517 H ALA 69 HN ALA 69 15.100 6.131 1.340 518 HA ALA 69 HA ALA 69 12.285 5.806 2.100 519 HB1 ALA 69 HB1 ALA 69 13.606 8.390 1.137 520 HB2 ALA 69 HB2 ALA 69 11.866 8.121 1.177 521 HB3 ALA 69 HB3 ALA 69 12.771 8.126 2.690 522 H LEU 70 HN LEU 70 10.909 6.195 0.027 523 HA LEU 70 HA LEU 70 12.302 5.196 -2.402 524 HB2 LEU 70 HB2 LEU 70 11.539 3.279 -1.019 525 HB3 LEU 70 HB3 LEU 70 9.905 3.968 -0.971 526 HG LEU 70 HG LEU 70 9.515 3.576 -3.250 527 HD11 LEU 70 HD11 LEU 70 12.466 3.275 -3.515 528 HD12 LEU 70 HD12 LEU 70 11.207 3.875 -4.643 529 HD13 LEU 70 HD13 LEU 70 11.505 2.152 -4.468 530 HD21 LEU 70 HD21 LEU 70 10.926 1.137 -2.128 531 HD22 LEU 70 HD22 LEU 70 9.632 1.170 -3.350 532 HD23 LEU 70 HD23 LEU 70 9.272 1.663 -1.703 533 H LYS 71 HN LYS 71 11.432 6.142 -4.286 534 HA LYS 71 HA LYS 71 9.089 7.921 -4.051 535 HB2 LYS 71 HB2 LYS 71 11.233 8.587 -5.259 536 HB3 LYS 71 HB3 LYS 71 10.925 7.301 -6.409 537 HG2 LYS 71 HG2 LYS 71 8.764 8.398 -7.023 538 HG3 LYS 71 HG3 LYS 71 9.147 9.724 -5.893 539 HD2 LYS 71 HD2 LYS 71 11.158 10.275 -7.112 540 HD3 LYS 71 HD3 LYS 71 11.001 8.821 -8.094 541 HE2 LYS 71 HE2 LYS 71 9.065 11.202 -8.124 542 HE3 LYS 71 HE3 LYS 71 10.400 10.980 -9.254 543 HZ1 LYS 71 HZ1 LYS 71 9.306 8.874 -9.941 544 HZ2 LYS 71 HZ2 LYS 71 8.449 10.254 -10.294 545 HZ3 LYS 71 HZ3 LYS 71 8.003 9.317 -9.030 546 H LEU 72 HN LEU 72 7.264 6.507 -3.886 547 HA LEU 72 HA LEU 72 6.904 4.256 -5.718 548 HB2 LEU 72 HB2 LEU 72 5.516 5.389 -3.395 549 HB3 LEU 72 HB3 LEU 72 4.417 5.118 -4.724 550 HG LEU 72 HG LEU 72 4.433 3.202 -3.412 551 HD11 LEU 72 HD11 LEU 72 4.941 1.375 -4.801 552 HD12 LEU 72 HD12 LEU 72 5.903 2.417 -5.848 553 HD13 LEU 72 HD13 LEU 72 4.165 2.700 -5.692 554 HD21 LEU 72 HD21 LEU 72 7.354 3.076 -3.407 555 HD22 LEU 72 HD22 LEU 72 6.229 1.792 -2.824 556 HD23 LEU 72 HD23 LEU 72 6.225 3.404 -2.086 557 H SER 73 HN SER 73 5.378 4.253 -7.525 558 HA SER 73 HA SER 73 4.139 6.843 -8.219 559 HB2 SER 73 HB2 SER 73 5.435 4.973 -10.242 560 HB3 SER 73 HB3 SER 73 4.595 6.446 -10.594 561 HG SER 73 HG SER 73 6.723 6.941 -10.555 562 H PHE 74 HN PHE 74 1.970 6.471 -8.141 563 HA PHE 74 HA PHE 74 0.977 3.727 -8.815 564 HB2 PHE 74 HB2 PHE 74 -0.239 5.866 -6.978 565 HB3 PHE 74 HB3 PHE 74 -0.922 4.293 -7.319 566 HD1 PHE 74 HD2 PHE 74 0.202 2.207 -6.395 567 HD2 PHE 74 HD1 PHE 74 1.492 6.173 -5.245 568 HE1 PHE 74 HE2 PHE 74 1.110 1.323 -4.318 569 HE2 PHE 74 HE1 PHE 74 2.368 5.275 -3.145 570 HZ PHE 74 HZ PHE 74 2.168 2.877 -2.631 571 H ASP 75 HN ASP 75 -0.278 3.779 -10.604 572 HA ASP 75 HA ASP 75 -0.710 6.131 -12.193 573 HB2 ASP 75 HB2 ASP 75 -0.415 3.726 -12.904 574 HB3 ASP 75 HB3 ASP 75 -2.048 3.439 -12.330 575 H ASP 76 HN ASP 76 -2.177 5.709 -9.420 576 HA ASP 76 HA ASP 76 -4.821 6.780 -10.260 577 HB2 ASP 76 HB2 ASP 76 -4.231 4.390 -8.561 578 HB3 ASP 76 HB3 ASP 76 -5.544 5.414 -8.064 579 H GLY 77 HN GLY 77 -2.168 7.823 -9.379 580 HA2 GLY 77 HA2 GLY 77 -1.544 9.747 -8.429 581 HA3 GLY 77 HA1 GLY 77 -3.207 10.021 -7.866 582 H HIS 78 HN HIS 78 -1.930 10.895 -6.006 583 HA HIS 78 HA HIS 78 -1.349 10.941 -3.902 584 HB2 HIS 78 HB2 HIS 78 -3.314 9.199 -3.963 585 HB3 HIS 78 HB3 HIS 78 -2.049 8.064 -3.576 586 HD1 HIS 78 HD1 HIS 78 -0.581 9.341 -1.127 587 HD2 HIS 78 HD2 HIS 78 -4.663 9.894 -2.020 588 HE1 HIS 78 HE1 HIS 78 -1.680 10.237 0.980 589 H ASP 79 HN ASP 79 0.546 10.033 -6.068 590 HA ASP 79 HA ASP 79 2.459 8.241 -4.878 591 HB2 ASP 79 HB2 ASP 79 3.877 8.804 -6.713 592 HB3 ASP 79 HB3 ASP 79 2.246 8.631 -7.333 593 H SER 80 HN SER 80 1.748 11.571 -4.283 594 HA SER 80 HA SER 80 4.370 12.410 -3.459 595 HB2 SER 80 HB2 SER 80 1.680 13.500 -2.549 596 HB3 SER 80 HB3 SER 80 3.256 14.321 -2.494 597 HG SER 80 HG SER 80 2.467 15.020 -4.433 598 H GLY 81 HN GLY 81 5.483 11.626 -1.760 599 HA2 GLY 81 HA2 GLY 81 4.562 11.000 0.822 600 HA3 GLY 81 HA1 GLY 81 4.512 9.544 -0.202 601 H LEU 82 HN LEU 82 6.241 9.110 1.611 602 HA LEU 82 HA LEU 82 8.941 9.719 0.491 603 HB2 LEU 82 HB2 LEU 82 7.952 10.154 3.253 604 HB3 LEU 82 HB3 LEU 82 9.399 9.192 3.179 605 HG LEU 82 HG LEU 82 10.688 10.889 2.134 606 HD11 LEU 82 HD11 LEU 82 8.126 12.505 1.830 607 HD12 LEU 82 HD12 LEU 82 9.211 11.948 0.543 608 HD13 LEU 82 HD13 LEU 82 9.755 13.183 1.666 609 HD21 LEU 82 HD21 LEU 82 8.926 12.093 4.313 610 HD22 LEU 82 HD22 LEU 82 10.527 12.677 3.842 611 HD23 LEU 82 HD23 LEU 82 10.347 11.062 4.554 612 H PHE 83 HN PHE 83 6.877 7.453 2.312 613 HA PHE 83 HA PHE 83 7.005 5.303 2.775 614 HB2 PHE 83 HB2 PHE 83 7.971 5.199 -0.085 615 HB3 PHE 83 HB3 PHE 83 7.577 3.784 0.863 616 HD1 PHE 83 HD2 PHE 83 6.207 6.772 -0.812 617 HD2 PHE 83 HD1 PHE 83 5.230 3.235 1.440 618 HE1 PHE 83 HE2 PHE 83 3.803 7.073 -1.376 619 HE2 PHE 83 HE1 PHE 83 2.817 3.540 0.872 620 HZ PHE 83 HZ PHE 83 2.116 5.441 -0.503 621 H THR 84 HN THR 84 8.595 5.769 4.489 622 HA THR 84 HA THR 84 11.357 5.337 4.075 623 HB THR 84 HB THR 84 11.076 4.751 6.673 624 HG1 THR 84 HG1 THR 84 9.278 5.655 7.546 625 HG21 THR 84 HG21 THR 84 12.240 6.693 5.811 626 HG22 THR 84 HG22 THR 84 11.176 7.156 7.165 627 HG23 THR 84 HG23 THR 84 10.687 7.517 5.474 628 H TRP 85 HN TRP 85 12.693 3.591 4.734 629 HA TRP 85 HA TRP 85 11.887 1.124 3.714 630 HB2 TRP 85 HB2 TRP 85 14.177 1.868 5.599 631 HB3 TRP 85 HB3 TRP 85 13.976 0.250 4.926 632 HD1 TRP 85 HD1 TRP 85 16.252 2.630 4.373 633 HE1 TRP 85 HE1 TRP 85 16.939 3.079 1.958 634 HE3 TRP 85 HE3 TRP 85 12.370 0.278 1.950 635 HZ2 TRP 85 HZ2 TRP 85 15.871 2.491 -0.772 636 HZ3 TRP 85 HZ3 TRP 85 12.237 0.287 -0.483 637 HH2 TRP 85 HH2 TRP 85 14.008 1.379 -1.842 638 H ASP 86 HN ASP 86 12.117 2.044 7.142 639 HA ASP 86 HA ASP 86 11.484 -0.508 8.203 640 HB2 ASP 86 HB2 ASP 86 11.000 0.623 10.270 641 HB3 ASP 86 HB3 ASP 86 12.427 1.348 9.537 642 H TYR 87 HN TYR 87 9.458 2.234 7.323 643 HA TYR 87 HA TYR 87 6.942 1.138 8.026 644 HB2 TYR 87 HB2 TYR 87 7.273 3.501 7.678 645 HB3 TYR 87 HB3 TYR 87 7.816 3.247 6.027 646 HD1 TYR 87 HD1 TYR 87 4.817 1.724 7.745 647 HD2 TYR 87 HD2 TYR 87 6.268 4.551 4.796 648 HE1 TYR 87 HE1 TYR 87 2.557 1.963 6.849 649 HE2 TYR 87 HE2 TYR 87 3.966 4.732 3.852 650 HH TYR 87 HH TYR 87 1.748 3.422 3.817 651 H LEU 88 HN LEU 88 8.711 1.066 4.877 652 HA LEU 88 HA LEU 88 6.724 -0.327 3.389 653 HB2 LEU 88 HB2 LEU 88 9.730 -0.119 3.164 654 HB3 LEU 88 HB3 LEU 88 8.812 -1.136 2.055 655 HG LEU 88 HG LEU 88 8.047 1.776 2.449 656 HD11 LEU 88 HD11 LEU 88 9.462 2.320 0.523 657 HD12 LEU 88 HD12 LEU 88 10.108 0.661 0.498 658 HD13 LEU 88 HD13 LEU 88 10.425 1.760 1.869 659 HD21 LEU 88 HD21 LEU 88 7.713 -0.173 0.110 660 HD22 LEU 88 HD22 LEU 88 7.157 1.510 0.150 661 HD23 LEU 88 HD23 LEU 88 6.428 0.327 1.232 662 H TYR 89 HN TYR 89 9.462 -1.673 5.308 663 HA TYR 89 HA TYR 89 8.574 -4.391 4.676 664 HB2 TYR 89 HB2 TYR 89 10.778 -3.150 6.282 665 HB3 TYR 89 HB3 TYR 89 10.336 -4.803 6.606 666 HD1 TYR 89 HD2 TYR 89 9.845 -6.282 4.248 667 HD2 TYR 89 HD1 TYR 89 12.452 -2.880 4.715 668 HE1 TYR 89 HE2 TYR 89 11.189 -7.063 2.395 669 HE2 TYR 89 HE1 TYR 89 13.941 -3.813 2.915 670 HH TYR 89 HH TYR 89 13.507 -7.106 1.772 671 H GLU 90 HN GLU 90 7.961 -2.150 7.386 672 HA GLU 90 HA GLU 90 6.761 -3.980 9.144 673 HB2 GLU 90 HB2 GLU 90 7.190 -1.741 9.832 674 HB3 GLU 90 HB3 GLU 90 6.271 -1.055 8.509 675 HG2 GLU 90 HG2 GLU 90 4.332 -1.090 9.598 676 HG3 GLU 90 HG3 GLU 90 4.532 -2.766 10.082 677 H LEU 91 HN LEU 91 5.279 -2.118 6.443 678 HA LEU 91 HA LEU 91 2.732 -3.386 6.552 679 HB2 LEU 91 HB2 LEU 91 4.236 -2.218 4.185 680 HB3 LEU 91 HB3 LEU 91 2.550 -2.703 4.157 681 HG LEU 91 HG LEU 91 3.703 -0.397 5.743 682 HD11 LEU 91 HD11 LEU 91 2.349 0.912 4.149 683 HD12 LEU 91 HD12 LEU 91 1.757 -0.567 3.397 684 HD13 LEU 91 HD13 LEU 91 3.460 -0.138 3.253 685 HD21 LEU 91 HD21 LEU 91 1.843 -1.385 7.028 686 HD22 LEU 91 HD22 LEU 91 0.831 -1.389 5.553 687 HD23 LEU 91 HD23 LEU 91 1.351 0.136 6.283 688 H ALA 92 HN ALA 92 5.727 -4.460 4.964 689 HA ALA 92 HA ALA 92 4.632 -6.343 3.145 690 HB1 ALA 92 HB1 ALA 92 7.294 -6.637 4.592 691 HB2 ALA 92 HB2 ALA 92 6.822 -7.291 3.023 692 HB3 ALA 92 HB3 ALA 92 7.025 -5.546 3.214 693 H THR 93 HN THR 93 5.751 -6.890 6.555 694 HA THR 93 HA THR 93 4.855 -9.660 6.379 695 HB THR 93 HB THR 93 6.816 -9.300 7.603 696 HG1 THR 93 HG1 THR 93 6.372 -10.422 9.293 697 HG21 THR 93 HG21 THR 93 6.680 -7.014 8.255 698 HG22 THR 93 HG22 THR 93 6.980 -8.023 9.662 699 HG23 THR 93 HG23 THR 93 5.345 -7.359 9.390 700 H ARG 94 HN ARG 94 3.522 -6.595 7.558 701 HA ARG 94 HA ARG 94 1.340 -7.864 9.023 702 HB2 ARG 94 HB2 ARG 94 1.967 -5.008 8.187 703 HB3 ARG 94 HB3 ARG 94 0.569 -5.437 9.144 704 HG2 ARG 94 HG2 ARG 94 3.092 -6.527 10.273 705 HG3 ARG 94 HG3 ARG 94 3.070 -4.790 10.111 706 HD2 ARG 94 HD2 ARG 94 2.184 -5.126 12.249 707 HD3 ARG 94 HD3 ARG 94 0.764 -4.821 11.285 708 HE ARG 94 HE ARG 94 -0.036 -6.840 11.864 709 HH11 ARG 94 HH11 ARG 94 3.172 -6.646 13.164 710 HH12 ARG 94 HH12 ARG 94 3.390 -8.341 13.481 711 HH21 ARG 94 HH21 ARG 94 0.119 -9.198 12.349 712 HH22 ARG 94 HH22 ARG 94 1.577 -9.768 13.079 713 H LYS 95 HN LYS 95 1.761 -7.386 5.667 714 HA LYS 95 HA LYS 95 -0.413 -6.106 4.777 715 HB2 LYS 95 HB2 LYS 95 1.356 -7.056 3.325 716 HB3 LYS 95 HB3 LYS 95 0.682 -8.669 3.523 717 HG2 LYS 95 HG2 LYS 95 -1.432 -6.855 2.602 718 HG3 LYS 95 HG3 LYS 95 0.009 -6.646 1.684 719 HD2 LYS 95 HD2 LYS 95 -1.298 -8.135 0.451 720 HD3 LYS 95 HD3 LYS 95 0.027 -9.105 1.118 721 HE2 LYS 95 HE2 LYS 95 -1.409 -9.992 2.826 722 HE3 LYS 95 HE3 LYS 95 -2.701 -8.836 2.458 723 HZ1 LYS 95 HZ1 LYS 95 -3.277 -10.916 1.572 724 HZ2 LYS 95 HZ2 LYS 95 -1.858 -11.064 0.691 725 HZ3 LYS 95 HZ3 LYS 95 -2.994 -9.953 0.315 726 H ASP 96 HN ASP 96 -0.372 -9.529 5.247 727 HA ASP 96 HA ASP 96 -2.953 -10.130 4.418 728 HB2 ASP 96 HB2 ASP 96 -0.973 -11.663 4.739 729 HB3 ASP 96 HB3 ASP 96 -1.203 -11.593 6.478 730 H GLN 97 HN GLN 97 -1.964 -9.224 7.683 731 HA GLN 97 HA GLN 97 -4.604 -9.392 8.882 732 HB2 GLN 97 HB2 GLN 97 -2.611 -9.663 10.197 733 HB3 GLN 97 HB3 GLN 97 -1.859 -8.235 9.528 734 HG2 GLN 97 HG2 GLN 97 -2.359 -7.799 11.748 735 HG3 GLN 97 HG3 GLN 97 -3.412 -6.781 10.778 736 HE21 GLN 97 HE21 GLN 97 -5.644 -7.052 11.024 737 HE22 GLN 97 HE22 GLN 97 -6.442 -8.344 11.917 738 H LEU 98 HN LEU 98 -2.586 -6.678 7.663 739 HA LEU 98 HA LEU 98 -4.471 -4.628 8.262 740 HB2 LEU 98 HB2 LEU 98 -2.008 -4.943 6.576 741 HB3 LEU 98 HB3 LEU 98 -3.114 -3.664 6.099 742 HG LEU 98 HG LEU 98 -2.936 -2.464 8.042 743 HD11 LEU 98 HD11 LEU 98 -1.483 -3.201 9.972 744 HD12 LEU 98 HD12 LEU 98 -1.500 -4.843 9.274 745 HD13 LEU 98 HD13 LEU 98 -3.000 -4.079 9.812 746 HD21 LEU 98 HD21 LEU 98 -0.548 -1.951 8.069 747 HD22 LEU 98 HD22 LEU 98 -1.020 -2.407 6.424 748 HD23 LEU 98 HD23 LEU 98 -0.147 -3.566 7.457 749 H TRP 99 HN TRP 99 -4.171 -6.718 5.418 750 HA TRP 99 HA TRP 99 -5.819 -5.183 3.703 751 HB2 TRP 99 HB2 TRP 99 -4.417 -7.087 2.939 752 HB3 TRP 99 HB3 TRP 99 -5.499 -8.215 3.755 753 HD1 TRP 99 HD1 TRP 99 -7.223 -9.248 2.159 754 HE1 TRP 99 HE1 TRP 99 -8.379 -8.587 -0.047 755 HE3 TRP 99 HE3 TRP 99 -5.383 -4.495 1.659 756 HZ2 TRP 99 HZ2 TRP 99 -8.732 -6.193 -1.598 757 HZ3 TRP 99 HZ3 TRP 99 -6.204 -3.017 -0.156 758 HH2 TRP 99 HH2 TRP 99 -7.911 -3.855 -1.743 759 H ALA 100 HN ALA 100 -6.681 -7.915 5.837 760 HA ALA 100 HA ALA 100 -9.477 -7.848 5.494 761 HB1 ALA 100 HB1 ALA 100 -8.394 -9.627 6.660 762 HB2 ALA 100 HB2 ALA 100 -7.732 -8.530 7.879 763 HB3 ALA 100 HB3 ALA 100 -9.488 -8.833 7.813 764 H ASP 101 HN ASP 101 -7.470 -5.724 7.548 765 HA ASP 101 HA ASP 101 -9.705 -4.351 8.812 766 HB2 ASP 101 HB2 ASP 101 -7.462 -4.421 9.782 767 HB3 ASP 101 HB3 ASP 101 -6.808 -3.508 8.423 768 H TYR 102 HN TYR 102 -7.620 -3.568 5.961 769 HA TYR 102 HA TYR 102 -8.961 -1.157 5.297 770 HB2 TYR 102 HB2 TYR 102 -7.114 -3.084 3.913 771 HB3 TYR 102 HB3 TYR 102 -8.050 -2.024 2.894 772 HD1 TYR 102 HD1 TYR 102 -8.126 0.519 3.626 773 HD2 TYR 102 HD2 TYR 102 -5.071 -2.249 4.863 774 HE1 TYR 102 HE1 TYR 102 -6.669 2.426 4.245 775 HE2 TYR 102 HE2 TYR 102 -3.617 -0.356 5.499 776 HH TYR 102 HH TYR 102 -4.763 3.046 5.391 777 H LEU 103 HN LEU 103 -9.866 -4.497 4.570 778 HA LEU 103 HA LEU 103 -12.062 -3.819 2.773 779 HB2 LEU 103 HB2 LEU 103 -11.576 -6.177 4.650 780 HB3 LEU 103 HB3 LEU 103 -13.119 -5.930 3.866 781 HG LEU 103 HG LEU 103 -12.079 -7.553 2.628 782 HD11 LEU 103 HD11 LEU 103 -11.848 -6.694 0.421 783 HD12 LEU 103 HD12 LEU 103 -11.497 -5.057 1.010 784 HD13 LEU 103 HD13 LEU 103 -13.119 -5.771 1.272 785 HD21 LEU 103 HD21 LEU 103 -9.919 -7.525 1.661 786 HD22 LEU 103 HD22 LEU 103 -9.767 -7.292 3.390 787 HD23 LEU 103 HD23 LEU 103 -9.566 -5.899 2.293 788 H ALA 104 HN ALA 104 -11.738 -3.715 6.346 789 HA ALA 104 HA ALA 104 -14.611 -3.608 6.789 790 HB1 ALA 104 HB1 ALA 104 -12.351 -2.779 8.651 791 HB2 ALA 104 HB2 ALA 104 -14.021 -3.126 9.087 792 HB3 ALA 104 HB3 ALA 104 -12.972 -4.441 8.533 793 H GLU 105 HN GLU 105 -11.904 -1.276 6.662 794 HA GLU 105 HA GLU 105 -13.214 1.093 7.197 795 HB2 GLU 105 HB2 GLU 105 -10.924 0.376 5.392 796 HB3 GLU 105 HB3 GLU 105 -11.485 2.035 5.460 797 HG2 GLU 105 HG2 GLU 105 -10.790 0.471 7.974 798 HG3 GLU 105 HG3 GLU 105 -9.633 1.365 7.009 799 H LEU 106 HN LEU 106 -12.788 -0.344 3.942 800 HA LEU 106 HA LEU 106 -14.491 1.546 2.618 801 HB2 LEU 106 HB2 LEU 106 -12.908 -0.799 1.920 802 HB3 LEU 106 HB3 LEU 106 -14.511 -1.081 1.321 803 HG LEU 106 HG LEU 106 -13.436 -0.049 -0.499 804 HD11 LEU 106 HD11 LEU 106 -14.649 2.381 0.727 805 HD12 LEU 106 HD12 LEU 106 -15.610 0.999 0.141 806 HD13 LEU 106 HD13 LEU 106 -14.552 1.859 -0.976 807 HD21 LEU 106 HD21 LEU 106 -11.366 0.589 0.377 808 HD22 LEU 106 HD22 LEU 106 -12.072 1.647 1.587 809 HD23 LEU 106 HD23 LEU 106 -12.077 2.117 -0.123 810 H ALA 107 HN ALA 107 -15.302 -1.441 4.269 811 HA ALA 107 HA ALA 107 -17.912 -1.795 3.141 812 HB1 ALA 107 HB1 ALA 107 -18.249 -3.312 4.962 813 HB2 ALA 107 HB2 ALA 107 -16.534 -3.474 4.522 814 HB3 ALA 107 HB3 ALA 107 -17.033 -2.501 5.959 815 H SER 108 HN SER 108 -16.637 0.441 5.448 816 HA SER 108 HA SER 108 -19.282 0.885 6.730 817 HB2 SER 108 HB2 SER 108 -16.544 1.520 7.886 818 HB3 SER 108 HB3 SER 108 -18.097 1.261 8.710 819 HG SER 108 HG SER 108 -16.354 -0.619 7.562 820 H ALA 109 HN ALA 109 -16.434 2.432 5.274 821 HA ALA 109 HA ALA 109 -17.072 5.116 5.676 822 HB1 ALA 109 HB1 ALA 109 -14.908 4.309 4.912 823 HB2 ALA 109 HB2 ALA 109 -15.613 3.787 3.364 824 HB3 ALA 109 HB3 ALA 109 -15.556 5.515 3.787 825 H GLY 110 HN GLY 110 -18.882 2.867 3.627 826 HA2 GLY 110 HA2 GLY 110 -20.822 3.436 2.463 827 HA3 GLY 110 HA1 GLY 110 -20.471 5.142 2.711 828 H LYS 111 HN LYS 111 -17.878 3.117 1.324 829 HA LYS 111 HA LYS 111 -18.479 4.406 -1.321 830 HB2 LYS 111 HB2 LYS 111 -15.699 4.001 -0.221 831 HB3 LYS 111 HB3 LYS 111 -16.198 4.928 -1.626 832 HG2 LYS 111 HG2 LYS 111 -16.774 5.697 1.268 833 HG3 LYS 111 HG3 LYS 111 -15.451 6.309 0.305 834 HD2 LYS 111 HD2 LYS 111 -17.096 7.228 -1.362 835 HD3 LYS 111 HD3 LYS 111 -18.401 6.668 -0.305 836 HE2 LYS 111 HE2 LYS 111 -17.177 8.018 1.572 837 HE3 LYS 111 HE3 LYS 111 -16.273 8.775 0.240 838 HZ1 LYS 111 HZ1 LYS 111 -18.548 9.314 -0.685 839 HZ2 LYS 111 HZ2 LYS 111 -18.129 10.126 0.689 840 HZ3 LYS 111 HZ3 LYS 111 -19.169 8.862 0.759 841 H SER 112 HN SER 112 -16.507 3.239 -2.842 842 HA SER 112 HA SER 112 -16.562 0.377 -2.263 843 HB2 SER 112 HB2 SER 112 -17.426 1.652 -4.916 844 HB3 SER 112 HB3 SER 112 -17.357 -0.080 -4.636 845 HG SER 112 HG SER 112 -19.398 1.296 -4.456 846 H ARG 113 HN ARG 113 -15.004 -0.889 -3.180 847 HA ARG 113 HA ARG 113 -12.551 0.585 -3.775 848 HB2 ARG 113 HB2 ARG 113 -13.074 -2.384 -4.242 849 HB3 ARG 113 HB3 ARG 113 -11.509 -1.534 -4.213 850 HG2 ARG 113 HG2 ARG 113 -12.031 -0.865 -1.846 851 HG3 ARG 113 HG3 ARG 113 -13.360 -2.045 -1.886 852 HD2 ARG 113 HD2 ARG 113 -11.840 -3.633 -1.263 853 HD3 ARG 113 HD3 ARG 113 -11.094 -3.458 -2.841 854 HE ARG 113 HE ARG 113 -9.443 -2.122 -2.003 855 HH11 ARG 113 HH11 ARG 113 -11.848 -2.660 0.564 856 HH12 ARG 113 HH12 ARG 113 -10.908 -1.893 1.804 857 HH21 ARG 113 HH21 ARG 113 -8.288 -0.995 -0.465 858 HH22 ARG 113 HH22 ARG 113 -8.867 -0.779 1.159 859 H ASP 114 HN ASP 114 -15.079 -1.020 -5.691 860 HA ASP 114 HA ASP 114 -13.619 -0.809 -8.224 861 HB2 ASP 114 HB2 ASP 114 -16.248 -1.751 -7.330 862 HB3 ASP 114 HB3 ASP 114 -16.345 -0.774 -8.795 863 HA PRO 115 HA PRO 115 -14.149 3.570 -8.629 864 HB2 PRO 115 HB2 PRO 115 -14.006 3.956 -11.332 865 HB3 PRO 115 HB3 PRO 115 -12.619 3.394 -10.347 866 HG2 PRO 115 HG2 PRO 115 -14.531 1.681 -11.965 867 HG3 PRO 115 HG3 PRO 115 -12.734 1.652 -11.982 868 HD2 PRO 115 HD2 PRO 115 -14.230 -0.058 -10.483 869 HD3 PRO 115 HD3 PRO 115 -12.665 0.552 -9.874 870 H ASP 116 HN ASP 116 -16.453 1.450 -10.072 871 HA ASP 116 HA ASP 116 -18.561 3.448 -9.552 872 HB2 ASP 116 HB2 ASP 116 -17.954 3.666 -11.941 873 HB3 ASP 116 HB3 ASP 116 -18.431 1.979 -12.206 874 H GLU 117 HN GLU 117 -18.571 2.017 -7.692 875 HA GLU 117 HA GLU 117 -20.656 0.067 -8.147 876 HB2 GLU 117 HB2 GLU 117 -18.006 -0.507 -7.001 877 HB3 GLU 117 HB3 GLU 117 -19.259 -0.832 -5.822 878 HG2 GLU 117 HG2 GLU 117 -19.516 -1.869 -8.640 879 HG3 GLU 117 HG3 GLU 117 -18.581 -2.735 -7.416 880 H SER 118 HN SER 118 -22.072 -0.088 -6.295 881 HA SER 118 HA SER 118 -21.750 1.854 -4.114 882 HB2 SER 118 HB2 SER 118 -23.956 2.070 -6.189 883 HB3 SER 118 HB3 SER 118 -24.153 2.651 -4.526 884 HG SER 118 HG SER 118 -22.165 3.544 -6.372 885 H VAL 119 HN VAL 119 -21.453 -0.174 -2.994 886 HA VAL 119 HA VAL 119 -24.056 -1.283 -2.248 887 HB VAL 119 HB VAL 119 -23.399 -2.673 -4.039 888 HG11 VAL 119 HG11 VAL 119 -20.854 -3.427 -2.554 889 HG12 VAL 119 HG12 VAL 119 -21.461 -4.109 -4.079 890 HG13 VAL 119 HG13 VAL 119 -20.942 -2.422 -4.025 891 HG21 VAL 119 HG21 VAL 119 -23.005 -4.187 -1.450 892 HG22 VAL 119 HG22 VAL 119 -24.569 -3.628 -2.072 893 HG23 VAL 119 HG23 VAL 119 -23.631 -4.814 -2.992 894 H VAL 120 HN VAL 120 -24.296 -1.360 -0.203 895 HA VAL 120 HA VAL 120 -22.298 -2.637 1.395 896 HB VAL 120 HB VAL 120 -21.811 -0.338 1.941 897 HG11 VAL 120 HG11 VAL 120 -23.916 0.793 1.307 898 HG12 VAL 120 HG12 VAL 120 -24.736 0.053 2.698 899 HG13 VAL 120 HG13 VAL 120 -23.417 1.212 2.945 900 HG21 VAL 120 HG21 VAL 120 -23.430 -1.517 4.227 901 HG22 VAL 120 HG22 VAL 120 -21.770 -1.994 3.783 902 HG23 VAL 120 HG23 VAL 120 -22.107 -0.348 4.335 903 H LYS 121 HN LYS 121 -23.337 -3.882 2.924 904 HA LYS 121 HA LYS 121 -26.297 -3.800 3.236 905 HB2 LYS 121 HB2 LYS 121 -24.577 -6.289 2.813 906 HB3 LYS 121 HB3 LYS 121 -26.259 -6.311 3.360 907 HG2 LYS 121 HG2 LYS 121 -27.034 -5.395 1.249 908 HG3 LYS 121 HG3 LYS 121 -25.375 -5.093 0.707 909 HD2 LYS 121 HD2 LYS 121 -24.917 -7.540 0.793 910 HD3 LYS 121 HD3 LYS 121 -26.616 -7.842 1.149 911 HE2 LYS 121 HE2 LYS 121 -25.987 -6.059 -1.194 912 HE3 LYS 121 HE3 LYS 121 -25.533 -7.754 -1.366 913 HZ1 LYS 121 HZ1 LYS 121 -28.261 -6.914 -0.624 914 HZ2 LYS 121 HZ2 LYS 121 -27.767 -8.408 -1.029 915 HZ3 LYS 121 HZ3 LYS 121 -27.751 -7.211 -2.188 916 H LEU 122 HN LEU 122 -23.332 -5.472 4.382 917 HA LEU 122 HA LEU 122 -22.319 -5.647 6.348 918 HB2 LEU 122 HB2 LEU 122 -22.782 -2.958 6.232 919 HB3 LEU 122 HB3 LEU 122 -23.739 -3.354 7.647 920 HG LEU 122 HG LEU 122 -21.623 -4.476 8.600 921 HD11 LEU 122 HD11 LEU 122 -20.358 -2.976 6.257 922 HD12 LEU 122 HD12 LEU 122 -20.325 -4.730 6.495 923 HD13 LEU 122 HD13 LEU 122 -19.464 -3.654 7.620 924 HD21 LEU 122 HD21 LEU 122 -21.510 -1.486 7.977 925 HD22 LEU 122 HD22 LEU 122 -20.661 -2.321 9.293 926 HD23 LEU 122 HD23 LEU 122 -22.421 -2.236 9.309 927 H MET 123 HN MET 123 -23.157 -5.495 8.979 928 HA MET 123 HA MET 123 -24.089 -6.868 10.468 929 HB2 MET 123 HB2 MET 123 -26.366 -6.388 10.960 930 HB3 MET 123 HB3 MET 123 -25.547 -4.934 10.418 931 HG2 MET 123 HG2 MET 123 -26.633 -5.044 8.248 932 HG3 MET 123 HG3 MET 123 -27.366 -6.598 8.644 933 HE1 MET 123 HE1 MET 123 -28.848 -4.127 7.442 934 HE2 MET 123 HE2 MET 123 -29.708 -5.630 7.836 935 HE3 MET 123 HE3 MET 123 -30.348 -4.062 8.388 936 H LEU 124 HN LEU 124 -26.718 -8.226 10.340 937 HA LEU 124 HA LEU 124 -25.830 -10.784 9.206 938 HB2 LEU 124 HB2 LEU 124 -28.406 -9.817 10.552 939 HB3 LEU 124 HB3 LEU 124 -28.200 -11.436 9.913 940 HG LEU 124 HG LEU 124 -26.521 -10.233 12.164 941 HD11 LEU 124 HD11 LEU 124 -27.771 -11.764 13.630 942 HD12 LEU 124 HD12 LEU 124 -28.740 -12.331 12.256 943 HD13 LEU 124 HD13 LEU 124 -28.869 -10.651 12.811 944 HD21 LEU 124 HD21 LEU 124 -25.776 -12.608 12.497 945 HD22 LEU 124 HD22 LEU 124 -25.219 -11.921 10.970 946 HD23 LEU 124 HD23 LEU 124 -26.591 -13.051 10.983 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 20.001 0.952 13.435 2 HA2 GLY 1 HA2 GLY 1 20.662 -1.340 11.678 3 HA3 GLY 1 HA1 GLY 1 19.308 -1.341 12.829 4 H MET 2 HN MET 2 19.390 -1.528 9.804 5 HA MET 2 HA MET 2 17.158 0.267 9.289 6 HB2 MET 2 HB2 MET 2 17.933 1.144 7.244 7 HB3 MET 2 HB3 MET 2 19.098 1.556 8.509 8 HG2 MET 2 HG2 MET 2 20.021 -0.865 7.679 9 HG3 MET 2 HG3 MET 2 19.361 -0.243 6.175 10 HE1 MET 2 HE1 MET 2 22.366 -0.435 8.460 11 HE2 MET 2 HE2 MET 2 23.109 1.175 8.399 12 HE3 MET 2 HE3 MET 2 21.557 0.951 9.241 13 H ARG 3 HN ARG 3 15.723 -0.749 7.694 14 HA ARG 3 HA ARG 3 16.458 -3.545 6.936 15 HB2 ARG 3 HB2 ARG 3 13.890 -2.121 7.632 16 HB3 ARG 3 HB3 ARG 3 13.868 -3.579 6.662 17 HG2 ARG 3 HG2 ARG 3 15.505 -3.749 9.165 18 HG3 ARG 3 HG3 ARG 3 13.763 -3.593 9.339 19 HD2 ARG 3 HD2 ARG 3 14.090 -5.836 9.302 20 HD3 ARG 3 HD3 ARG 3 13.514 -5.500 7.662 21 HE ARG 3 HE ARG 3 16.038 -5.637 7.054 22 HH11 ARG 3 HH11 ARG 3 14.173 -7.857 9.103 23 HH12 ARG 3 HH12 ARG 3 15.299 -9.161 8.877 24 HH21 ARG 3 HH21 ARG 3 17.563 -7.291 6.909 25 HH22 ARG 3 HH22 ARG 3 17.222 -8.866 7.507 26 H ILE 4 HN ILE 4 17.610 -3.042 5.043 27 HA ILE 4 HA ILE 4 16.169 -1.475 2.958 28 HB ILE 4 HB ILE 4 19.120 -2.131 3.202 29 HG12 ILE 4 HG12 ILE 4 17.647 0.529 3.109 30 HG13 ILE 4 HG13 ILE 4 18.078 -0.234 4.604 31 HG21 ILE 4 HG21 ILE 4 17.702 -0.564 0.986 32 HG22 ILE 4 HG22 ILE 4 19.449 -0.829 1.136 33 HG23 ILE 4 HG23 ILE 4 18.400 -2.179 0.801 34 HD11 ILE 4 HD11 ILE 4 20.515 -0.117 3.905 35 HD12 ILE 4 HD12 ILE 4 19.998 0.854 2.507 36 HD13 ILE 4 HD13 ILE 4 19.723 1.452 4.143 37 HA PRO 5 HA PRO 5 15.527 -5.603 1.203 38 HB2 PRO 5 HB2 PRO 5 14.188 -4.932 -1.069 39 HB3 PRO 5 HB3 PRO 5 13.443 -4.657 0.527 40 HG2 PRO 5 HG2 PRO 5 14.965 -2.660 -1.143 41 HG3 PRO 5 HG3 PRO 5 13.342 -2.486 -0.396 42 HD2 PRO 5 HD2 PRO 5 15.646 -1.548 0.751 43 HD3 PRO 5 HD3 PRO 5 14.301 -2.192 1.741 44 H SER 6 HN SER 6 15.974 -6.724 -0.816 45 HA SER 6 HA SER 6 18.016 -5.399 -2.548 46 HB2 SER 6 HB2 SER 6 17.907 -8.375 -2.124 47 HB3 SER 6 HB3 SER 6 19.219 -7.379 -2.754 48 HG SER 6 HG SER 6 19.936 -7.251 -0.743 49 H ALA 7 HN ALA 7 15.012 -7.176 -2.237 50 HA ALA 7 HA ALA 7 14.790 -7.477 -5.188 51 HB1 ALA 7 HB1 ALA 7 12.831 -8.876 -4.637 52 HB2 ALA 7 HB2 ALA 7 14.295 -9.511 -3.863 53 HB3 ALA 7 HB3 ALA 7 13.099 -8.607 -2.904 54 H ILE 8 HN ILE 8 14.084 -5.590 -6.055 55 HA ILE 8 HA ILE 8 11.580 -4.497 -4.892 56 HB ILE 8 HB ILE 8 13.298 -2.968 -6.855 57 HG12 ILE 8 HG12 ILE 8 14.695 -2.983 -4.968 58 HG13 ILE 8 HG13 ILE 8 13.947 -1.406 -5.145 59 HG21 ILE 8 HG21 ILE 8 11.740 -1.104 -5.992 60 HG22 ILE 8 HG22 ILE 8 10.952 -2.399 -6.916 61 HG23 ILE 8 HG23 ILE 8 10.819 -2.384 -5.168 62 HD11 ILE 8 HD11 ILE 8 12.217 -2.244 -3.381 63 HD12 ILE 8 HD12 ILE 8 13.415 -3.507 -3.051 64 HD13 ILE 8 HD13 ILE 8 13.843 -1.789 -2.861 65 H GLN 9 HN GLN 9 10.458 -6.150 -5.762 66 HA GLN 9 HA GLN 9 10.224 -6.245 -8.754 67 HB2 GLN 9 HB2 GLN 9 9.818 -8.283 -6.588 68 HB3 GLN 9 HB3 GLN 9 8.677 -8.290 -7.935 69 HG2 GLN 9 HG2 GLN 9 10.395 -8.673 -9.520 70 HG3 GLN 9 HG3 GLN 9 11.668 -8.351 -8.347 71 HE21 GLN 9 HE21 GLN 9 8.951 -10.367 -7.212 72 HE22 GLN 9 HE22 GLN 9 9.773 -11.884 -7.342 73 H LEU 10 HN LEU 10 8.533 -4.945 -9.423 74 HA LEU 10 HA LEU 10 6.306 -4.418 -7.554 75 HB2 LEU 10 HB2 LEU 10 5.754 -2.601 -8.823 76 HB3 LEU 10 HB3 LEU 10 7.477 -2.488 -8.715 77 HG LEU 10 HG LEU 10 5.868 -3.406 -11.141 78 HD11 LEU 10 HD11 LEU 10 5.589 -1.023 -10.621 79 HD12 LEU 10 HD12 LEU 10 6.505 -1.247 -12.115 80 HD13 LEU 10 HD13 LEU 10 7.340 -0.797 -10.618 81 HD21 LEU 10 HD21 LEU 10 8.045 -3.119 -12.363 82 HD22 LEU 10 HD22 LEU 10 8.023 -4.488 -11.268 83 HD23 LEU 10 HD23 LEU 10 8.869 -2.986 -10.803 84 H HIS 11 HN HIS 11 7.111 -6.680 -9.758 85 HA HIS 11 HA HIS 11 6.184 -7.880 -11.422 86 HB2 HIS 11 HB2 HIS 11 4.100 -7.936 -9.229 87 HB3 HIS 11 HB3 HIS 11 3.992 -8.930 -10.676 88 HD1 HIS 11 HD1 HIS 11 5.393 -11.168 -10.676 89 HD2 HIS 11 HD2 HIS 11 6.231 -8.481 -7.541 90 HE1 HIS 11 HE1 HIS 11 7.097 -12.309 -9.187 91 H LYS 12 HN LYS 12 6.085 -6.011 -12.968 92 HA LYS 12 HA LYS 12 3.809 -4.383 -13.210 93 HB2 LYS 12 HB2 LYS 12 5.976 -5.240 -15.117 94 HB3 LYS 12 HB3 LYS 12 4.548 -4.450 -15.779 95 HG2 LYS 12 HG2 LYS 12 6.027 -3.244 -13.458 96 HG3 LYS 12 HG3 LYS 12 6.570 -2.978 -15.106 97 HD2 LYS 12 HD2 LYS 12 3.644 -2.438 -14.648 98 HD3 LYS 12 HD3 LYS 12 4.773 -1.402 -13.778 99 HE2 LYS 12 HE2 LYS 12 4.462 -0.245 -15.754 100 HE3 LYS 12 HE3 LYS 12 6.025 -1.024 -15.930 101 HZ1 LYS 12 HZ1 LYS 12 3.513 -1.699 -17.302 102 HZ2 LYS 12 HZ2 LYS 12 4.749 -2.801 -17.236 103 HZ3 LYS 12 HZ3 LYS 12 4.984 -1.336 -17.919 104 H ALA 13 HN ALA 13 4.079 -7.741 -14.094 105 HA ALA 13 HA ALA 13 1.900 -8.098 -15.824 106 HB1 ALA 13 HB1 ALA 13 3.478 -9.869 -15.071 107 HB2 ALA 13 HB2 ALA 13 2.761 -9.797 -13.446 108 HB3 ALA 13 HB3 ALA 13 1.778 -10.327 -14.817 109 H SER 14 HN SER 14 1.863 -7.814 -12.196 110 HA SER 14 HA SER 14 -1.052 -7.347 -12.269 111 HB2 SER 14 HB2 SER 14 -0.468 -9.847 -12.181 112 HB3 SER 14 HB3 SER 14 0.089 -9.540 -10.523 113 HG SER 14 HG SER 14 -2.249 -10.155 -11.048 114 H LYS 15 HN LYS 15 1.233 -5.661 -11.656 115 HA LYS 15 HA LYS 15 2.005 -4.160 -10.167 116 HB2 LYS 15 HB2 LYS 15 -0.955 -4.025 -9.476 117 HB3 LYS 15 HB3 LYS 15 0.236 -2.757 -9.372 118 HG2 LYS 15 HG2 LYS 15 -0.647 -2.038 -11.225 119 HG3 LYS 15 HG3 LYS 15 0.524 -3.075 -11.976 120 HD2 LYS 15 HD2 LYS 15 -1.065 -4.563 -12.658 121 HD3 LYS 15 HD3 LYS 15 -2.146 -4.278 -11.321 122 HE2 LYS 15 HE2 LYS 15 -3.265 -3.368 -13.202 123 HE3 LYS 15 HE3 LYS 15 -2.708 -2.033 -12.203 124 HZ1 LYS 15 HZ1 LYS 15 -1.086 -1.505 -13.763 125 HZ2 LYS 15 HZ2 LYS 15 -2.428 -1.759 -14.624 126 HZ3 LYS 15 HZ3 LYS 15 -1.250 -2.931 -14.610 127 H THR 16 HN THR 16 2.432 -6.690 -8.939 128 HA THR 16 HA THR 16 1.560 -6.276 -6.147 129 HB THR 16 HB THR 16 2.660 -8.691 -7.619 130 HG1 THR 16 HG1 THR 16 0.391 -7.832 -7.952 131 HG21 THR 16 HG21 THR 16 1.629 -8.435 -4.763 132 HG22 THR 16 HG22 THR 16 3.289 -8.846 -5.272 133 HG23 THR 16 HG23 THR 16 1.952 -9.961 -5.610 134 H LEU 17 HN LEU 17 2.966 -5.520 -4.668 135 HA LEU 17 HA LEU 17 5.767 -4.927 -5.366 136 HB2 LEU 17 HB2 LEU 17 4.530 -3.111 -4.338 137 HB3 LEU 17 HB3 LEU 17 3.919 -4.170 -3.072 138 HG LEU 17 HG LEU 17 6.131 -4.364 -2.054 139 HD11 LEU 17 HD11 LEU 17 7.127 -2.441 -4.176 140 HD12 LEU 17 HD12 LEU 17 7.530 -4.185 -4.137 141 HD13 LEU 17 HD13 LEU 17 8.066 -3.128 -2.833 142 HD21 LEU 17 HD21 LEU 17 6.433 -2.022 -1.344 143 HD22 LEU 17 HD22 LEU 17 4.731 -2.471 -1.385 144 HD23 LEU 17 HD23 LEU 17 5.410 -1.472 -2.694 145 H THR 18 HN THR 18 7.180 -6.602 -5.025 146 HA THR 18 HA THR 18 6.648 -8.596 -2.907 147 HB THR 18 HB THR 18 9.069 -8.231 -4.666 148 HG1 THR 18 HG1 THR 18 6.714 -9.769 -5.129 149 HG21 THR 18 HG21 THR 18 9.583 -9.693 -2.831 150 HG22 THR 18 HG22 THR 18 9.407 -10.667 -4.289 151 HG23 THR 18 HG23 THR 18 8.092 -10.620 -3.088 152 H LEU 19 HN LEU 19 7.843 -8.547 -0.969 153 HA LEU 19 HA LEU 19 10.282 -6.925 -0.826 154 HB2 LEU 19 HB2 LEU 19 7.893 -6.493 1.015 155 HB3 LEU 19 HB3 LEU 19 9.532 -6.122 1.513 156 HG LEU 19 HG LEU 19 8.016 -4.788 -0.740 157 HD11 LEU 19 HD11 LEU 19 9.169 -3.704 1.868 158 HD12 LEU 19 HD12 LEU 19 7.492 -4.217 1.644 159 HD13 LEU 19 HD13 LEU 19 8.118 -2.850 0.709 160 HD21 LEU 19 HD21 LEU 19 9.982 -3.246 -0.869 161 HD22 LEU 19 HD22 LEU 19 10.377 -4.844 -1.469 162 HD23 LEU 19 HD23 LEU 19 10.915 -4.352 0.156 163 H ARG 20 HN ARG 20 11.767 -8.400 -0.180 164 HA ARG 20 HA ARG 20 10.798 -10.782 1.247 165 HB2 ARG 20 HB2 ARG 20 12.297 -10.888 -0.732 166 HB3 ARG 20 HB3 ARG 20 13.584 -10.157 0.210 167 HG2 ARG 20 HG2 ARG 20 13.418 -12.091 1.839 168 HG3 ARG 20 HG3 ARG 20 12.055 -12.733 0.910 169 HD2 ARG 20 HD2 ARG 20 13.984 -13.973 0.339 170 HD3 ARG 20 HD3 ARG 20 13.516 -12.986 -1.069 171 HE ARG 20 HE ARG 20 15.354 -11.431 0.338 172 HH11 ARG 20 HH11 ARG 20 15.473 -14.794 -0.676 173 HH12 ARG 20 HH12 ARG 20 17.193 -14.837 -0.894 174 HH21 ARG 20 HH21 ARG 20 17.628 -11.447 0.075 175 HH22 ARG 20 HH22 ARG 20 18.300 -13.032 0.115 176 H TYR 21 HN TYR 21 10.251 -9.874 3.325 177 HA TYR 21 HA TYR 21 12.036 -8.258 4.855 178 HB2 TYR 21 HB2 TYR 21 9.551 -8.346 5.202 179 HB3 TYR 21 HB3 TYR 21 9.766 -9.964 5.850 180 HD1 TYR 21 HD1 TYR 21 11.099 -10.335 7.994 181 HD2 TYR 21 HD2 TYR 21 9.899 -6.432 6.616 182 HE1 TYR 21 HE1 TYR 21 11.726 -9.393 10.163 183 HE2 TYR 21 HE2 TYR 21 10.516 -5.459 8.777 184 HH TYR 21 HH TYR 21 11.503 -5.856 10.847 185 H GLY 22 HN GLY 22 14.042 -9.070 5.164 186 HA2 GLY 22 HA2 GLY 22 15.661 -10.320 6.186 187 HA3 GLY 22 HA1 GLY 22 14.408 -11.027 7.236 188 H GLU 23 HN GLU 23 14.162 -13.171 6.984 189 HA GLU 23 HA GLU 23 15.346 -14.530 4.649 190 HB2 GLU 23 HB2 GLU 23 14.101 -15.703 7.151 191 HB3 GLU 23 HB3 GLU 23 15.194 -16.513 6.036 192 HG2 GLU 23 HG2 GLU 23 16.047 -14.177 7.788 193 HG3 GLU 23 HG3 GLU 23 16.083 -15.837 8.304 194 H ASP 24 HN ASP 24 12.310 -13.187 5.317 195 HA ASP 24 HA ASP 24 10.703 -15.460 4.253 196 HB2 ASP 24 HB2 ASP 24 10.224 -13.404 6.430 197 HB3 ASP 24 HB3 ASP 24 8.869 -14.058 5.519 198 H SER 25 HN SER 25 8.734 -14.662 2.986 199 HA SER 25 HA SER 25 9.373 -12.235 1.443 200 HB2 SER 25 HB2 SER 25 8.223 -13.992 -0.335 201 HB3 SER 25 HB3 SER 25 9.943 -13.638 -0.136 202 HG SER 25 HG SER 25 10.245 -15.425 1.081 203 H TYR 26 HN TYR 26 7.665 -11.084 0.531 204 HA TYR 26 HA TYR 26 4.909 -11.715 1.290 205 HB2 TYR 26 HB2 TYR 26 6.387 -9.106 1.926 206 HB3 TYR 26 HB3 TYR 26 4.652 -9.331 2.037 207 HD1 TYR 26 HD1 TYR 26 7.918 -10.268 3.566 208 HD2 TYR 26 HD2 TYR 26 3.633 -10.527 3.866 209 HE1 TYR 26 HE1 TYR 26 8.110 -11.168 5.894 210 HE2 TYR 26 HE2 TYR 26 3.824 -11.294 6.211 211 HH TYR 26 HH TYR 26 5.534 -12.435 7.596 212 H ASP 27 HN ASP 27 3.467 -10.604 -0.140 213 HA ASP 27 HA ASP 27 4.580 -9.203 -2.512 214 HB2 ASP 27 HB2 ASP 27 3.372 -11.940 -2.429 215 HB3 ASP 27 HB3 ASP 27 2.848 -10.902 -3.728 216 H LEU 28 HN LEU 28 3.639 -7.409 -1.637 217 HA LEU 28 HA LEU 28 0.883 -7.373 -0.723 218 HB2 LEU 28 HB2 LEU 28 2.938 -5.136 -1.127 219 HB3 LEU 28 HB3 LEU 28 1.404 -5.004 -0.285 220 HG LEU 28 HG LEU 28 2.454 -7.107 1.088 221 HD11 LEU 28 HD11 LEU 28 4.843 -6.705 1.594 222 HD12 LEU 28 HD12 LEU 28 4.913 -5.486 0.305 223 HD13 LEU 28 HD13 LEU 28 4.627 -7.191 -0.075 224 HD21 LEU 28 HD21 LEU 28 3.288 -4.273 1.765 225 HD22 LEU 28 HD22 LEU 28 2.859 -5.601 2.870 226 HD23 LEU 28 HD23 LEU 28 1.628 -4.832 1.899 227 HA PRO 29 HA PRO 29 -0.755 -5.982 -4.706 228 HB2 PRO 29 HB2 PRO 29 -3.145 -4.942 -3.947 229 HB3 PRO 29 HB3 PRO 29 -2.855 -6.668 -3.927 230 HG2 PRO 29 HG2 PRO 29 -2.745 -4.710 -1.682 231 HG3 PRO 29 HG3 PRO 29 -3.507 -6.329 -1.670 232 HD2 PRO 29 HD2 PRO 29 -1.004 -5.855 -0.635 233 HD3 PRO 29 HD3 PRO 29 -1.420 -7.408 -1.428 234 H ALA 30 HN ALA 30 -0.894 -4.014 -5.903 235 HA ALA 30 HA ALA 30 0.409 -1.700 -4.940 236 HB1 ALA 30 HB1 ALA 30 -1.546 -2.116 -7.244 237 HB2 ALA 30 HB2 ALA 30 -0.782 -0.545 -6.910 238 HB3 ALA 30 HB3 ALA 30 0.238 -1.934 -7.297 239 H GLU 31 HN GLU 31 -3.125 -2.365 -5.112 240 HA GLU 31 HA GLU 31 -4.021 0.141 -4.315 241 HB2 GLU 31 HB2 GLU 31 -6.053 -1.056 -3.511 242 HB3 GLU 31 HB3 GLU 31 -5.603 -1.458 -5.136 243 HG2 GLU 31 HG2 GLU 31 -4.574 -3.307 -3.032 244 HG3 GLU 31 HG3 GLU 31 -6.307 -3.258 -3.253 245 H PHE 32 HN PHE 32 -2.722 -2.460 -2.214 246 HA PHE 32 HA PHE 32 -3.696 -1.391 0.252 247 HB2 PHE 32 HB2 PHE 32 -2.868 -3.572 0.331 248 HB3 PHE 32 HB3 PHE 32 -1.371 -3.156 -0.492 249 HD1 PHE 32 HD2 PHE 32 -3.127 -2.834 2.808 250 HD2 PHE 32 HD1 PHE 32 0.648 -2.473 0.639 251 HE1 PHE 32 HE2 PHE 32 -1.935 -2.764 4.926 252 HE2 PHE 32 HE1 PHE 32 1.785 -2.547 2.806 253 HZ PHE 32 HZ PHE 32 0.545 -2.688 4.941 254 H LEU 33 HN LEU 33 -0.580 -0.753 -1.474 255 HA LEU 33 HA LEU 33 0.372 0.923 0.672 256 HB2 LEU 33 HB2 LEU 33 1.303 0.683 -2.223 257 HB3 LEU 33 HB3 LEU 33 2.178 1.472 -0.918 258 HG LEU 33 HG LEU 33 3.094 -0.594 -1.126 259 HD11 LEU 33 HD11 LEU 33 1.554 -0.625 1.340 260 HD12 LEU 33 HD12 LEU 33 3.113 -0.040 1.013 261 HD13 LEU 33 HD13 LEU 33 2.857 -1.768 0.921 262 HD21 LEU 33 HD21 LEU 33 2.318 -2.714 -1.340 263 HD22 LEU 33 HD22 LEU 33 1.904 -1.612 -2.658 264 HD23 LEU 33 HD23 LEU 33 0.671 -2.077 -1.449 265 H ARG 34 HN ARG 34 -1.208 1.655 -2.356 266 HA ARG 34 HA ARG 34 -1.231 4.514 -2.159 267 HB2 ARG 34 HB2 ARG 34 -2.083 3.558 -4.122 268 HB3 ARG 34 HB3 ARG 34 -3.284 2.600 -3.272 269 HG2 ARG 34 HG2 ARG 34 -4.168 4.546 -4.608 270 HG3 ARG 34 HG3 ARG 34 -4.719 4.414 -2.949 271 HD2 ARG 34 HD2 ARG 34 -4.259 6.745 -3.654 272 HD3 ARG 34 HD3 ARG 34 -3.408 6.232 -2.230 273 HE ARG 34 HE ARG 34 -2.017 6.187 -4.860 274 HH11 ARG 34 HH11 ARG 34 -2.508 7.982 -1.769 275 HH12 ARG 34 HH12 ARG 34 -0.907 8.674 -1.872 276 HH21 ARG 34 HH21 ARG 34 -0.151 7.590 -5.012 277 HH22 ARG 34 HH22 ARG 34 0.438 8.365 -3.611 278 H VAL 35 HN VAL 35 -3.810 2.339 -0.707 279 HA VAL 35 HA VAL 35 -4.952 4.568 0.714 280 HB VAL 35 HB VAL 35 -6.277 3.018 1.927 281 HG11 VAL 35 HG11 VAL 35 -6.856 3.549 -0.433 282 HG12 VAL 35 HG12 VAL 35 -5.982 2.119 -0.977 283 HG13 VAL 35 HG13 VAL 35 -7.414 1.944 0.051 284 HG21 VAL 35 HG21 VAL 35 -4.712 0.719 0.716 285 HG22 VAL 35 HG22 VAL 35 -4.639 1.215 2.422 286 HG23 VAL 35 HG23 VAL 35 -6.149 0.607 1.741 287 H HIS 36 HN HIS 36 -2.271 2.383 1.547 288 HA HIS 36 HA HIS 36 -2.042 3.643 4.193 289 HB2 HIS 36 HB2 HIS 36 -1.711 1.047 3.313 290 HB3 HIS 36 HB3 HIS 36 -0.045 1.580 3.437 291 HD1 HIS 36 HD1 HIS 36 -0.143 3.293 6.100 292 HD2 HIS 36 HD2 HIS 36 -2.430 -0.184 5.400 293 HE1 HIS 36 HE1 HIS 36 -0.807 2.382 8.386 294 H SER 37 HN SER 37 -1.402 5.231 1.667 295 HA SER 37 HA SER 37 1.484 5.571 1.852 296 HB2 SER 37 HB2 SER 37 0.237 5.855 -0.275 297 HB3 SER 37 HB3 SER 37 -0.547 7.298 0.408 298 HG SER 37 HG SER 37 1.505 8.260 0.625 299 HA PRO 38 HA PRO 38 1.170 9.363 4.441 300 HB2 PRO 38 HB2 PRO 38 3.785 10.089 4.387 301 HB3 PRO 38 HB3 PRO 38 3.212 8.736 5.398 302 HG2 PRO 38 HG2 PRO 38 4.493 8.610 2.666 303 HG3 PRO 38 HG3 PRO 38 4.878 7.641 4.112 304 HD2 PRO 38 HD2 PRO 38 3.237 6.785 2.088 305 HD3 PRO 38 HD3 PRO 38 3.030 6.273 3.795 306 H SER 39 HN SER 39 2.148 11.733 3.807 307 HA SER 39 HA SER 39 1.772 12.220 0.950 308 HB2 SER 39 HB2 SER 39 1.137 13.910 3.389 309 HB3 SER 39 HB3 SER 39 0.621 14.172 1.742 310 HG SER 39 HG SER 39 -0.203 12.135 3.553 311 H ALA 40 HN ALA 40 4.417 11.781 2.107 312 HA ALA 40 HA ALA 40 6.467 12.503 2.206 313 HB1 ALA 40 HB1 ALA 40 7.234 14.507 1.097 314 HB2 ALA 40 HB2 ALA 40 6.078 13.628 0.077 315 HB3 ALA 40 HB3 ALA 40 5.576 15.106 0.943 316 H GLU 41 HN GLU 41 4.377 15.074 3.218 317 HA GLU 41 HA GLU 41 6.212 15.821 5.379 318 HB2 GLU 41 HB2 GLU 41 4.061 17.376 3.942 319 HB3 GLU 41 HB3 GLU 41 5.017 18.026 5.290 320 HG2 GLU 41 HG2 GLU 41 7.101 17.619 3.973 321 HG3 GLU 41 HG3 GLU 41 6.101 17.192 2.583 322 H VAL 42 HN VAL 42 4.325 13.638 5.747 323 HA VAL 42 HA VAL 42 2.594 14.793 7.904 324 HB VAL 42 HB VAL 42 1.647 12.936 5.709 325 HG11 VAL 42 HG11 VAL 42 0.595 12.295 7.854 326 HG12 VAL 42 HG12 VAL 42 0.275 13.993 8.215 327 HG13 VAL 42 HG13 VAL 42 -0.594 13.180 6.887 328 HG21 VAL 42 HG21 VAL 42 0.078 14.827 5.238 329 HG22 VAL 42 HG22 VAL 42 0.917 15.782 6.493 330 HG23 VAL 42 HG23 VAL 42 1.764 15.306 5.014 331 H GLN 43 HN GLN 43 3.333 11.491 6.615 332 HA GLN 43 HA GLN 43 3.371 9.531 7.813 333 HB2 GLN 43 HB2 GLN 43 5.545 9.562 9.202 334 HB3 GLN 43 HB3 GLN 43 5.504 9.733 7.470 335 HG2 GLN 43 HG2 GLN 43 7.091 11.237 8.045 336 HG3 GLN 43 HG3 GLN 43 5.703 12.269 7.774 337 HE21 GLN 43 HE21 GLN 43 6.223 14.071 9.126 338 HE22 GLN 43 HE22 GLN 43 6.752 13.832 10.765 339 H GLY 44 HN GLY 44 1.225 10.157 8.763 340 HA2 GLY 44 HA2 GLY 44 -0.013 9.304 10.597 341 HA3 GLY 44 HA1 GLY 44 1.395 9.513 11.639 342 H HIS 45 HN HIS 45 1.627 12.457 10.531 343 HA HIS 45 HA HIS 45 -0.052 13.531 12.656 344 HB2 HIS 45 HB2 HIS 45 1.968 14.806 10.787 345 HB3 HIS 45 HB3 HIS 45 1.110 15.656 12.062 346 HD1 HIS 45 HD1 HIS 45 1.431 14.382 14.653 347 HD2 HIS 45 HD2 HIS 45 4.108 13.541 11.512 348 HE1 HIS 45 HE1 HIS 45 3.428 13.258 15.708 349 H GLY 46 HN GLY 46 -2.128 12.768 11.411 350 HA2 GLY 46 HA2 GLY 46 -3.192 15.151 10.095 351 HA3 GLY 46 HA1 GLY 46 -3.119 13.690 9.094 352 H ASN 47 HN ASN 47 -5.467 14.325 9.152 353 HA ASN 47 HA ASN 47 -6.970 13.648 11.585 354 HB2 ASN 47 HB2 ASN 47 -8.068 14.437 8.858 355 HB3 ASN 47 HB3 ASN 47 -8.909 14.454 10.406 356 HD21 ASN 47 HD21 ASN 47 -8.487 16.671 8.447 357 HD22 ASN 47 HD22 ASN 47 -7.651 17.918 9.368 358 HA PRO 48 HA PRO 48 -7.609 9.491 10.098 359 HB2 PRO 48 HB2 PRO 48 -9.918 8.731 11.365 360 HB3 PRO 48 HB3 PRO 48 -8.365 8.931 12.220 361 HG2 PRO 48 HG2 PRO 48 -10.633 10.878 12.032 362 HG3 PRO 48 HG3 PRO 48 -9.668 10.425 13.473 363 HD2 PRO 48 HD2 PRO 48 -9.181 12.708 12.031 364 HD3 PRO 48 HD3 PRO 48 -7.852 11.769 12.774 365 H VAL 49 HN VAL 49 -8.104 9.288 8.018 366 HA VAL 49 HA VAL 49 -10.868 9.599 7.076 367 HB VAL 49 HB VAL 49 -9.534 11.559 6.591 368 HG11 VAL 49 HG11 VAL 49 -7.566 9.873 5.080 369 HG12 VAL 49 HG12 VAL 49 -7.601 11.647 5.182 370 HG13 VAL 49 HG13 VAL 49 -7.293 10.679 6.623 371 HG21 VAL 49 HG21 VAL 49 -11.223 10.867 4.944 372 HG22 VAL 49 HG22 VAL 49 -9.870 11.706 4.181 373 HG23 VAL 49 HG23 VAL 49 -9.987 9.947 4.060 374 H LEU 50 HN LEU 50 -11.428 8.151 5.569 375 HA LEU 50 HA LEU 50 -9.614 5.855 4.928 376 HB2 LEU 50 HB2 LEU 50 -11.776 5.259 5.978 377 HB3 LEU 50 HB3 LEU 50 -12.637 6.328 4.911 378 HG LEU 50 HG LEU 50 -11.994 4.790 2.969 379 HD11 LEU 50 HD11 LEU 50 -10.109 3.568 3.860 380 HD12 LEU 50 HD12 LEU 50 -11.448 2.405 3.719 381 HD13 LEU 50 HD13 LEU 50 -11.015 3.086 5.297 382 HD21 LEU 50 HD21 LEU 50 -14.196 4.843 4.085 383 HD22 LEU 50 HD22 LEU 50 -13.654 3.545 5.162 384 HD23 LEU 50 HD23 LEU 50 -13.763 3.290 3.396 385 H GLN 51 HN GLN 51 -9.283 5.224 2.828 386 HA GLN 51 HA GLN 51 -10.170 7.060 0.675 387 HB2 GLN 51 HB2 GLN 51 -7.738 5.266 0.697 388 HB3 GLN 51 HB3 GLN 51 -8.092 6.575 -0.425 389 HG2 GLN 51 HG2 GLN 51 -7.469 6.927 2.538 390 HG3 GLN 51 HG3 GLN 51 -6.278 7.025 1.302 391 HE21 GLN 51 HE21 GLN 51 -7.540 8.860 3.384 392 HE22 GLN 51 HE22 GLN 51 -7.999 10.340 2.585 393 H TYR 52 HN TYR 52 -11.578 6.075 -0.717 394 HA TYR 52 HA TYR 52 -11.737 3.140 -0.787 395 HB2 TYR 52 HB2 TYR 52 -14.095 3.139 -0.940 396 HB3 TYR 52 HB3 TYR 52 -13.634 3.945 0.508 397 HD1 TYR 52 HD2 TYR 52 -13.752 6.383 0.833 398 HD2 TYR 52 HD1 TYR 52 -15.189 4.534 -2.802 399 HE1 TYR 52 HE2 TYR 52 -14.804 8.513 0.155 400 HE2 TYR 52 HE1 TYR 52 -16.253 6.627 -3.458 401 HH TYR 52 HH TYR 52 -16.675 8.877 -2.900 402 H GLY 53 HN GLY 53 -13.388 2.738 -2.826 403 HA2 GLY 53 HA2 GLY 53 -13.170 2.445 -5.124 404 HA3 GLY 53 HA1 GLY 53 -12.705 4.139 -5.214 405 H LYS 54 HN LYS 54 -11.451 0.910 -4.582 406 HA LYS 54 HA LYS 54 -8.740 1.780 -5.217 407 HB2 LYS 54 HB2 LYS 54 -7.669 0.418 -3.481 408 HB3 LYS 54 HB3 LYS 54 -8.341 1.944 -3.039 409 HG2 LYS 54 HG2 LYS 54 -10.080 -0.509 -2.664 410 HG3 LYS 54 HG3 LYS 54 -8.738 -0.258 -1.541 411 HD2 LYS 54 HD2 LYS 54 -9.533 2.132 -1.224 412 HD3 LYS 54 HD3 LYS 54 -10.900 1.675 -2.217 413 HE2 LYS 54 HE2 LYS 54 -11.806 1.288 -0.066 414 HE3 LYS 54 HE3 LYS 54 -11.082 -0.303 -0.339 415 HZ1 LYS 54 HZ1 LYS 54 -9.808 1.947 1.093 416 HZ2 LYS 54 HZ2 LYS 54 -9.157 0.426 0.879 417 HZ3 LYS 54 HZ3 LYS 54 -10.481 0.614 1.808 418 H LEU 55 HN LEU 55 -10.623 0.403 -6.834 419 HA LEU 55 HA LEU 55 -9.354 -2.268 -7.160 420 HB2 LEU 55 HB2 LEU 55 -11.833 -2.099 -6.647 421 HB3 LEU 55 HB3 LEU 55 -12.059 -1.357 -8.223 422 HG LEU 55 HG LEU 55 -11.170 -3.509 -9.256 423 HD11 LEU 55 HD11 LEU 55 -11.078 -5.509 -7.807 424 HD12 LEU 55 HD12 LEU 55 -11.226 -4.470 -6.363 425 HD13 LEU 55 HD13 LEU 55 -9.787 -4.378 -7.417 426 HD21 LEU 55 HD21 LEU 55 -13.203 -4.807 -8.710 427 HD22 LEU 55 HD22 LEU 55 -13.534 -3.105 -9.025 428 HD23 LEU 55 HD23 LEU 55 -13.535 -3.703 -7.354 429 H ASN 56 HN ASN 56 -9.149 0.803 -8.489 430 HA ASN 56 HA ASN 56 -8.477 -0.246 -11.218 431 HB2 ASN 56 HB2 ASN 56 -8.927 2.672 -10.789 432 HB3 ASN 56 HB3 ASN 56 -9.261 1.685 -12.197 433 HD21 ASN 56 HD21 ASN 56 -11.242 0.066 -11.803 434 HD22 ASN 56 HD22 ASN 56 -12.584 0.797 -10.969 435 H VAL 57 HN VAL 57 -7.267 1.346 -8.386 436 HA VAL 57 HA VAL 57 -4.961 2.634 -9.414 437 HB VAL 57 HB VAL 57 -5.661 3.019 -7.179 438 HG11 VAL 57 HG11 VAL 57 -5.293 0.080 -6.586 439 HG12 VAL 57 HG12 VAL 57 -5.641 1.347 -5.376 440 HG13 VAL 57 HG13 VAL 57 -6.832 0.966 -6.610 441 HG21 VAL 57 HG21 VAL 57 -3.661 2.703 -5.877 442 HG22 VAL 57 HG22 VAL 57 -3.123 1.352 -6.882 443 HG23 VAL 57 HG23 VAL 57 -3.160 2.995 -7.549 444 H GLY 58 HN GLY 58 -2.937 1.918 -9.985 445 HA2 GLY 58 HA2 GLY 58 -2.107 -0.703 -9.167 446 HA3 GLY 58 HA1 GLY 58 -2.152 -0.482 -10.934 447 H LEU 59 HN LEU 59 0.254 -0.941 -10.210 448 HA LEU 59 HA LEU 59 1.719 1.553 -9.574 449 HB2 LEU 59 HB2 LEU 59 2.079 -1.270 -8.976 450 HB3 LEU 59 HB3 LEU 59 3.414 -0.774 -9.967 451 HG LEU 59 HG LEU 59 3.750 -0.599 -7.519 452 HD11 LEU 59 HD11 LEU 59 5.369 0.704 -8.371 453 HD12 LEU 59 HD12 LEU 59 4.390 2.044 -7.709 454 HD13 LEU 59 HD13 LEU 59 4.249 1.601 -9.416 455 HD21 LEU 59 HD21 LEU 59 2.745 0.989 -6.146 456 HD22 LEU 59 HD22 LEU 59 1.410 0.234 -7.014 457 HD23 LEU 59 HD23 LEU 59 1.997 1.850 -7.494 458 H VAL 60 HN VAL 60 2.928 2.523 -11.019 459 HA VAL 60 HA VAL 60 2.812 1.540 -13.834 460 HB VAL 60 HB VAL 60 3.197 4.165 -14.184 461 HG11 VAL 60 HG11 VAL 60 0.650 4.277 -14.387 462 HG12 VAL 60 HG12 VAL 60 1.360 2.848 -15.159 463 HG13 VAL 60 HG13 VAL 60 0.585 2.708 -13.567 464 HG21 VAL 60 HG21 VAL 60 1.589 4.127 -11.637 465 HG22 VAL 60 HG22 VAL 60 3.219 4.809 -11.870 466 HG23 VAL 60 HG23 VAL 60 1.835 5.512 -12.711 467 H GLY 61 HN GLY 61 4.906 2.867 -11.362 468 HA2 GLY 61 HA2 GLY 61 7.225 1.731 -12.742 469 HA3 GLY 61 HA1 GLY 61 7.232 3.499 -12.603 470 H VAL 62 HN VAL 62 9.166 1.829 -11.338 471 HA VAL 62 HA VAL 62 8.810 2.852 -8.656 472 HB VAL 62 HB VAL 62 7.844 0.523 -8.597 473 HG11 VAL 62 HG11 VAL 62 9.506 -0.608 -10.121 474 HG12 VAL 62 HG12 VAL 62 10.732 -0.404 -8.871 475 HG13 VAL 62 HG13 VAL 62 9.339 -1.415 -8.544 476 HG21 VAL 62 HG21 VAL 62 8.870 -0.082 -6.491 477 HG22 VAL 62 HG22 VAL 62 10.235 1.009 -6.808 478 HG23 VAL 62 HG23 VAL 62 8.584 1.655 -6.598 479 H GLU 63 HN GLU 63 10.780 3.348 -7.754 480 HA GLU 63 HA GLU 63 13.273 2.428 -8.864 481 HB2 GLU 63 HB2 GLU 63 14.078 4.510 -9.769 482 HB3 GLU 63 HB3 GLU 63 12.687 3.942 -10.643 483 HG2 GLU 63 HG2 GLU 63 11.936 5.998 -10.523 484 HG3 GLU 63 HG3 GLU 63 11.562 5.647 -8.854 485 HA PRO 64 HA PRO 64 14.575 3.742 -4.832 486 HB2 PRO 64 HB2 PRO 64 17.277 4.159 -5.179 487 HB3 PRO 64 HB3 PRO 64 16.513 2.537 -5.272 488 HG2 PRO 64 HG2 PRO 64 17.227 4.391 -7.566 489 HG3 PRO 64 HG3 PRO 64 17.637 2.660 -7.370 490 HD2 PRO 64 HD2 PRO 64 15.498 3.446 -8.814 491 HD3 PRO 64 HD3 PRO 64 15.411 1.994 -7.785 492 H ALA 65 HN ALA 65 13.904 5.839 -4.010 493 HA ALA 65 HA ALA 65 14.371 8.098 -5.842 494 HB1 ALA 65 HB1 ALA 65 12.703 9.314 -4.529 495 HB2 ALA 65 HB2 ALA 65 12.083 7.784 -5.108 496 HB3 ALA 65 HB3 ALA 65 12.557 7.962 -3.398 497 H GLY 66 HN GLY 66 16.572 7.057 -4.403 498 HA2 GLY 66 HA2 GLY 66 18.367 8.817 -3.822 499 HA3 GLY 66 HA1 GLY 66 17.334 9.181 -2.437 500 H GLN 67 HN GLN 67 18.442 8.310 -0.731 501 HA GLN 67 HA GLN 67 19.363 5.478 -0.980 502 HB2 GLN 67 HB2 GLN 67 20.557 7.529 0.888 503 HB3 GLN 67 HB3 GLN 67 21.128 5.898 0.545 504 HG2 GLN 67 HG2 GLN 67 21.143 8.310 -1.296 505 HG3 GLN 67 HG3 GLN 67 22.530 7.485 -0.587 506 HE21 GLN 67 HE21 GLN 67 21.834 8.000 -3.557 507 HE22 GLN 67 HE22 GLN 67 21.678 6.388 -4.217 508 H TYR 68 HN TYR 68 17.001 7.383 0.546 509 HA TYR 68 HA TYR 68 16.735 5.443 2.802 510 HB2 TYR 68 HB2 TYR 68 16.118 7.563 4.171 511 HB3 TYR 68 HB3 TYR 68 17.775 7.131 3.917 512 HD1 TYR 68 HD1 TYR 68 19.197 8.336 2.316 513 HD2 TYR 68 HD2 TYR 68 15.203 9.677 3.181 514 HE1 TYR 68 HE1 TYR 68 19.740 10.524 1.306 515 HE2 TYR 68 HE2 TYR 68 15.770 11.923 2.299 516 HH TYR 68 HH TYR 68 18.284 12.476 0.271 517 H ALA 69 HN ALA 69 15.115 6.764 0.214 518 HA ALA 69 HA ALA 69 12.507 6.229 1.279 519 HB1 ALA 69 HB1 ALA 69 11.550 8.379 0.534 520 HB2 ALA 69 HB2 ALA 69 12.733 8.603 1.848 521 HB3 ALA 69 HB3 ALA 69 13.182 8.980 0.168 522 H LEU 70 HN LEU 70 11.348 5.338 -0.320 523 HA LEU 70 HA LEU 70 12.531 4.684 -2.942 524 HB2 LEU 70 HB2 LEU 70 11.744 3.117 -1.168 525 HB3 LEU 70 HB3 LEU 70 10.104 3.679 -1.432 526 HG LEU 70 HG LEU 70 10.239 1.609 -2.367 527 HD11 LEU 70 HD11 LEU 70 10.737 3.246 -4.809 528 HD12 LEU 70 HD12 LEU 70 9.214 3.323 -3.858 529 HD13 LEU 70 HD13 LEU 70 9.717 1.798 -4.605 530 HD21 LEU 70 HD21 LEU 70 12.858 2.384 -3.697 531 HD22 LEU 70 HD22 LEU 70 11.965 0.865 -4.003 532 HD23 LEU 70 HD23 LEU 70 12.557 1.213 -2.385 533 H LYS 71 HN LYS 71 11.229 5.137 -4.918 534 HA LYS 71 HA LYS 71 9.589 7.464 -5.003 535 HB2 LYS 71 HB2 LYS 71 11.192 6.588 -6.712 536 HB3 LYS 71 HB3 LYS 71 10.079 5.298 -7.084 537 HG2 LYS 71 HG2 LYS 71 10.032 7.061 -8.761 538 HG3 LYS 71 HG3 LYS 71 8.483 6.845 -8.017 539 HD2 LYS 71 HD2 LYS 71 8.743 8.915 -6.770 540 HD3 LYS 71 HD3 LYS 71 10.493 8.969 -7.140 541 HE2 LYS 71 HE2 LYS 71 10.072 9.370 -9.490 542 HE3 LYS 71 HE3 LYS 71 8.354 9.010 -9.302 543 HZ1 LYS 71 HZ1 LYS 71 9.708 11.384 -8.186 544 HZ2 LYS 71 HZ2 LYS 71 8.097 10.943 -7.985 545 HZ3 LYS 71 HZ3 LYS 71 8.640 11.356 -9.441 546 H LEU 72 HN LEU 72 8.604 4.212 -6.066 547 HA LEU 72 HA LEU 72 6.621 3.162 -6.327 548 HB2 LEU 72 HB2 LEU 72 6.502 4.306 -3.609 549 HB3 LEU 72 HB3 LEU 72 4.942 3.901 -4.270 550 HG LEU 72 HG LEU 72 7.243 1.926 -4.214 551 HD11 LEU 72 HD11 LEU 72 6.686 2.638 -1.915 552 HD12 LEU 72 HD12 LEU 72 6.155 0.974 -2.209 553 HD13 LEU 72 HD13 LEU 72 4.971 2.295 -2.225 554 HD21 LEU 72 HD21 LEU 72 5.207 0.310 -4.362 555 HD22 LEU 72 HD22 LEU 72 5.654 1.230 -5.814 556 HD23 LEU 72 HD23 LEU 72 4.265 1.736 -4.788 557 H SER 73 HN SER 73 5.904 4.000 -8.312 558 HA SER 73 HA SER 73 4.276 6.468 -8.267 559 HB2 SER 73 HB2 SER 73 5.295 4.812 -10.601 560 HB3 SER 73 HB3 SER 73 4.429 6.330 -10.725 561 HG SER 73 HG SER 73 6.372 6.843 -9.072 562 H PHE 74 HN PHE 74 2.188 6.203 -7.833 563 HA PHE 74 HA PHE 74 0.863 3.708 -8.719 564 HB2 PHE 74 HB2 PHE 74 -0.164 5.963 -6.922 565 HB3 PHE 74 HB3 PHE 74 -0.966 4.431 -7.224 566 HD1 PHE 74 HD1 PHE 74 1.895 6.066 -5.472 567 HD2 PHE 74 HD2 PHE 74 -0.125 2.327 -6.178 568 HE1 PHE 74 HE1 PHE 74 2.931 5.132 -3.470 569 HE2 PHE 74 HE2 PHE 74 0.919 1.380 -4.194 570 HZ PHE 74 HZ PHE 74 2.471 2.798 -2.784 571 H ASP 75 HN ASP 75 -0.531 3.701 -10.273 572 HA ASP 75 HA ASP 75 -0.927 5.662 -12.253 573 HB2 ASP 75 HB2 ASP 75 -1.207 3.183 -12.445 574 HB3 ASP 75 HB3 ASP 75 -2.604 3.292 -11.406 575 H ASP 76 HN ASP 76 -2.642 5.012 -9.332 576 HA ASP 76 HA ASP 76 -5.076 6.455 -9.662 577 HB2 ASP 76 HB2 ASP 76 -4.546 4.699 -8.028 578 HB3 ASP 76 HB3 ASP 76 -3.406 5.755 -7.198 579 H GLY 77 HN GLY 77 -1.794 7.570 -8.961 580 HA2 GLY 77 HA2 GLY 77 -1.533 10.034 -9.242 581 HA3 GLY 77 HA1 GLY 77 -2.866 10.234 -8.108 582 H HIS 78 HN HIS 78 -0.906 11.628 -7.440 583 HA HIS 78 HA HIS 78 0.542 12.191 -5.845 584 HB2 HIS 78 HB2 HIS 78 -1.630 11.757 -4.735 585 HB3 HIS 78 HB3 HIS 78 -1.052 10.175 -4.265 586 HD1 HIS 78 HD1 HIS 78 -1.934 11.746 -1.978 587 HD2 HIS 78 HD2 HIS 78 1.952 12.108 -3.581 588 HE1 HIS 78 HE1 HIS 78 -0.461 12.705 -0.113 589 H ASP 79 HN ASP 79 1.843 10.842 -7.550 590 HA ASP 79 HA ASP 79 3.099 8.476 -7.059 591 HB2 ASP 79 HB2 ASP 79 4.355 9.022 -8.844 592 HB3 ASP 79 HB3 ASP 79 3.353 10.457 -8.949 593 H SER 80 HN SER 80 4.091 11.625 -5.653 594 HA SER 80 HA SER 80 6.486 10.332 -4.565 595 HB2 SER 80 HB2 SER 80 6.615 13.058 -3.965 596 HB3 SER 80 HB3 SER 80 7.414 12.174 -5.252 597 HG SER 80 HG SER 80 5.811 12.731 -6.682 598 H GLY 81 HN GLY 81 4.805 9.087 -3.278 599 HA2 GLY 81 HA2 GLY 81 3.595 10.358 -0.989 600 HA3 GLY 81 HA1 GLY 81 3.863 8.610 -1.174 601 H LEU 82 HN LEU 82 6.781 9.020 -1.526 602 HA LEU 82 HA LEU 82 8.736 9.205 -0.453 603 HB2 LEU 82 HB2 LEU 82 7.790 11.442 0.322 604 HB3 LEU 82 HB3 LEU 82 7.458 10.655 1.869 605 HG LEU 82 HG LEU 82 10.234 10.649 0.640 606 HD11 LEU 82 HD11 LEU 82 10.723 12.581 2.108 607 HD12 LEU 82 HD12 LEU 82 9.015 12.676 2.574 608 HD13 LEU 82 HD13 LEU 82 9.505 12.977 0.892 609 HD21 LEU 82 HD21 LEU 82 9.967 9.022 2.484 610 HD22 LEU 82 HD22 LEU 82 9.257 10.283 3.513 611 HD23 LEU 82 HD23 LEU 82 10.956 10.376 3.013 612 H PHE 83 HN PHE 83 9.280 7.186 0.049 613 HA PHE 83 HA PHE 83 7.815 5.746 2.204 614 HB2 PHE 83 HB2 PHE 83 8.700 5.009 -0.571 615 HB3 PHE 83 HB3 PHE 83 8.305 3.792 0.658 616 HD1 PHE 83 HD1 PHE 83 6.096 4.077 1.931 617 HD2 PHE 83 HD2 PHE 83 6.912 5.965 -1.867 618 HE1 PHE 83 HE1 PHE 83 3.681 4.360 1.560 619 HE2 PHE 83 HE2 PHE 83 4.484 6.240 -2.251 620 HZ PHE 83 HZ PHE 83 2.855 5.413 -0.518 621 H THR 84 HN THR 84 9.284 6.001 3.956 622 HA THR 84 HA THR 84 12.063 5.679 3.578 623 HB THR 84 HB THR 84 11.786 5.290 6.240 624 HG1 THR 84 HG1 THR 84 9.957 6.493 6.929 625 HG21 THR 84 HG21 THR 84 11.397 7.928 4.761 626 HG22 THR 84 HG22 THR 84 12.953 7.155 5.162 627 HG23 THR 84 HG23 THR 84 11.902 7.746 6.457 628 H TRP 85 HN TRP 85 13.475 4.007 4.199 629 HA TRP 85 HA TRP 85 12.700 1.429 3.432 630 HB2 TRP 85 HB2 TRP 85 15.035 2.395 5.158 631 HB3 TRP 85 HB3 TRP 85 14.838 0.729 4.678 632 HD1 TRP 85 HD1 TRP 85 16.857 3.392 3.627 633 HE1 TRP 85 HE1 TRP 85 17.562 3.271 1.232 634 HE3 TRP 85 HE3 TRP 85 13.260 0.099 1.901 635 HZ2 TRP 85 HZ2 TRP 85 16.332 2.292 -1.303 636 HZ3 TRP 85 HZ3 TRP 85 13.040 -0.291 -0.494 637 HH2 TRP 85 HH2 TRP 85 14.655 0.729 -2.100 638 H ASP 86 HN ASP 86 12.960 2.741 6.687 639 HA ASP 86 HA ASP 86 12.441 0.482 8.227 640 HB2 ASP 86 HB2 ASP 86 12.592 3.315 8.609 641 HB3 ASP 86 HB3 ASP 86 11.063 2.806 9.313 642 H TYR 87 HN TYR 87 10.084 2.832 6.949 643 HA TYR 87 HA TYR 87 7.767 1.536 7.827 644 HB2 TYR 87 HB2 TYR 87 7.951 3.932 7.186 645 HB3 TYR 87 HB3 TYR 87 8.184 3.470 5.508 646 HD1 TYR 87 HD2 TYR 87 5.696 2.075 8.005 647 HD2 TYR 87 HD1 TYR 87 6.300 4.265 4.338 648 HE1 TYR 87 HE2 TYR 87 3.309 2.367 7.826 649 HE2 TYR 87 HE1 TYR 87 3.840 4.422 4.047 650 HH TYR 87 HH TYR 87 1.706 3.950 5.047 651 H LEU 88 HN LEU 88 9.472 1.282 4.695 652 HA LEU 88 HA LEU 88 7.385 0.021 3.260 653 HB2 LEU 88 HB2 LEU 88 10.397 -0.122 3.024 654 HB3 LEU 88 HB3 LEU 88 9.353 -1.019 1.928 655 HG LEU 88 HG LEU 88 9.174 2.004 2.277 656 HD11 LEU 88 HD11 LEU 88 10.378 2.025 0.120 657 HD12 LEU 88 HD12 LEU 88 10.704 0.291 0.290 658 HD13 LEU 88 HD13 LEU 88 11.349 1.458 1.464 659 HD21 LEU 88 HD21 LEU 88 7.807 0.020 0.441 660 HD22 LEU 88 HD22 LEU 88 8.120 1.675 -0.107 661 HD23 LEU 88 HD23 LEU 88 7.143 1.414 1.329 662 H TYR 89 HN TYR 89 10.051 -1.455 5.121 663 HA TYR 89 HA TYR 89 8.962 -4.151 4.695 664 HB2 TYR 89 HB2 TYR 89 11.385 -2.941 5.951 665 HB3 TYR 89 HB3 TYR 89 10.845 -4.445 6.639 666 HD1 TYR 89 HD2 TYR 89 9.890 -6.084 4.288 667 HD2 TYR 89 HD1 TYR 89 13.257 -3.402 4.687 668 HE1 TYR 89 HE2 TYR 89 11.077 -7.283 2.573 669 HE2 TYR 89 HE1 TYR 89 14.560 -4.843 3.176 670 HH TYR 89 HH TYR 89 13.582 -7.881 2.126 671 H GLU 90 HN GLU 90 8.525 -1.604 7.094 672 HA GLU 90 HA GLU 90 7.488 -3.188 9.190 673 HB2 GLU 90 HB2 GLU 90 8.006 -0.681 9.136 674 HB3 GLU 90 HB3 GLU 90 6.496 -0.447 8.268 675 HG2 GLU 90 HG2 GLU 90 5.227 -1.286 10.156 676 HG3 GLU 90 HG3 GLU 90 6.729 -1.696 11.003 677 H LEU 91 HN LEU 91 5.763 -1.499 6.537 678 HA LEU 91 HA LEU 91 3.201 -2.640 6.906 679 HB2 LEU 91 HB2 LEU 91 4.626 -1.620 4.406 680 HB3 LEU 91 HB3 LEU 91 2.934 -2.071 4.459 681 HG LEU 91 HG LEU 91 4.145 0.187 6.086 682 HD11 LEU 91 HD11 LEU 91 2.585 1.494 4.419 683 HD12 LEU 91 HD12 LEU 91 2.680 0.046 3.428 684 HD13 LEU 91 HD13 LEU 91 4.166 0.947 3.866 685 HD21 LEU 91 HD21 LEU 91 1.804 0.837 6.524 686 HD22 LEU 91 HD22 LEU 91 2.171 -0.734 7.219 687 HD23 LEU 91 HD23 LEU 91 1.229 -0.619 5.707 688 H ALA 92 HN ALA 92 5.947 -3.976 5.057 689 HA ALA 92 HA ALA 92 4.689 -6.069 3.679 690 HB1 ALA 92 HB1 ALA 92 7.108 -5.546 3.546 691 HB2 ALA 92 HB2 ALA 92 7.339 -6.298 5.145 692 HB3 ALA 92 HB3 ALA 92 6.767 -7.272 3.786 693 H THR 93 HN THR 93 5.879 -6.116 7.092 694 HA THR 93 HA THR 93 4.891 -8.787 7.572 695 HB THR 93 HB THR 93 5.557 -8.394 9.863 696 HG1 THR 93 HG1 THR 93 5.854 -5.648 9.139 697 HG21 THR 93 HG21 THR 93 7.566 -6.909 8.149 698 HG22 THR 93 HG22 THR 93 7.419 -8.689 8.183 699 HG23 THR 93 HG23 THR 93 7.868 -7.781 9.654 700 H ARG 94 HN ARG 94 3.707 -5.516 8.220 701 HA ARG 94 HA ARG 94 1.673 -6.291 10.112 702 HB2 ARG 94 HB2 ARG 94 2.244 -3.723 8.623 703 HB3 ARG 94 HB3 ARG 94 1.139 -3.872 10.003 704 HG2 ARG 94 HG2 ARG 94 4.039 -4.691 10.259 705 HG3 ARG 94 HG3 ARG 94 3.642 -3.011 10.180 706 HD2 ARG 94 HD2 ARG 94 3.808 -3.596 12.361 707 HD3 ARG 94 HD3 ARG 94 2.073 -3.358 12.127 708 HE ARG 94 HE ARG 94 1.693 -5.592 12.558 709 HH11 ARG 94 HH11 ARG 94 5.233 -4.990 12.723 710 HH12 ARG 94 HH12 ARG 94 5.623 -6.657 12.898 711 HH21 ARG 94 HH21 ARG 94 2.342 -7.905 12.851 712 HH22 ARG 94 HH22 ARG 94 4.031 -8.270 12.847 713 H LYS 95 HN LYS 95 1.701 -6.099 6.629 714 HA LYS 95 HA LYS 95 -0.605 -4.983 6.042 715 HB2 LYS 95 HB2 LYS 95 0.902 -5.789 4.322 716 HB3 LYS 95 HB3 LYS 95 0.491 -7.477 4.674 717 HG2 LYS 95 HG2 LYS 95 -1.878 -7.034 3.979 718 HG3 LYS 95 HG3 LYS 95 -1.459 -5.365 3.702 719 HD2 LYS 95 HD2 LYS 95 -1.250 -6.064 1.553 720 HD3 LYS 95 HD3 LYS 95 0.368 -6.518 2.102 721 HE2 LYS 95 HE2 LYS 95 -0.499 -8.364 0.865 722 HE3 LYS 95 HE3 LYS 95 -0.385 -8.814 2.567 723 HZ1 LYS 95 HZ1 LYS 95 -2.396 -9.541 1.615 724 HZ2 LYS 95 HZ2 LYS 95 -2.903 -8.050 1.162 725 HZ3 LYS 95 HZ3 LYS 95 -2.773 -8.495 2.762 726 H ASP 96 HN ASP 96 -0.329 -8.433 6.910 727 HA ASP 96 HA ASP 96 -2.804 -9.484 6.674 728 HB2 ASP 96 HB2 ASP 96 -0.790 -9.773 8.918 729 HB3 ASP 96 HB3 ASP 96 -2.206 -10.806 8.739 730 H GLN 97 HN GLN 97 -1.803 -7.415 9.429 731 HA GLN 97 HA GLN 97 -4.454 -7.520 10.617 732 HB2 GLN 97 HB2 GLN 97 -2.198 -7.207 11.836 733 HB3 GLN 97 HB3 GLN 97 -2.109 -5.593 11.143 734 HG2 GLN 97 HG2 GLN 97 -2.922 -5.465 13.414 735 HG3 GLN 97 HG3 GLN 97 -4.246 -5.021 12.333 736 HE21 GLN 97 HE21 GLN 97 -6.114 -6.397 12.251 737 HE22 GLN 97 HE22 GLN 97 -6.288 -7.755 13.345 738 H LEU 98 HN LEU 98 -2.500 -5.075 8.986 739 HA LEU 98 HA LEU 98 -4.277 -2.919 9.219 740 HB2 LEU 98 HB2 LEU 98 -2.326 -3.353 6.931 741 HB3 LEU 98 HB3 LEU 98 -2.926 -1.808 7.506 742 HG LEU 98 HG LEU 98 -1.179 -3.657 9.176 743 HD11 LEU 98 HD11 LEU 98 0.619 -1.977 8.761 744 HD12 LEU 98 HD12 LEU 98 -0.412 -1.257 7.524 745 HD13 LEU 98 HD13 LEU 98 0.156 -2.926 7.334 746 HD21 LEU 98 HD21 LEU 98 -0.847 -1.843 10.670 747 HD22 LEU 98 HD22 LEU 98 -2.566 -2.203 10.547 748 HD23 LEU 98 HD23 LEU 98 -1.918 -0.788 9.689 749 H TRP 99 HN TRP 99 -4.033 -5.328 6.642 750 HA TRP 99 HA TRP 99 -5.778 -4.015 4.798 751 HB2 TRP 99 HB2 TRP 99 -4.115 -5.743 4.153 752 HB3 TRP 99 HB3 TRP 99 -5.013 -6.970 5.046 753 HD1 TRP 99 HD1 TRP 99 -6.532 -8.353 3.473 754 HE1 TRP 99 HE1 TRP 99 -7.757 -7.996 1.253 755 HE3 TRP 99 HE3 TRP 99 -5.408 -3.417 2.730 756 HZ2 TRP 99 HZ2 TRP 99 -8.155 -5.835 -0.628 757 HZ3 TRP 99 HZ3 TRP 99 -6.241 -2.225 0.787 758 HH2 TRP 99 HH2 TRP 99 -7.608 -3.432 -0.965 759 H ALA 100 HN ALA 100 -6.286 -6.619 7.221 760 HA ALA 100 HA ALA 100 -9.015 -7.094 6.491 761 HB1 ALA 100 HB1 ALA 100 -8.998 -8.358 8.626 762 HB2 ALA 100 HB2 ALA 100 -7.562 -8.712 7.654 763 HB3 ALA 100 HB3 ALA 100 -7.437 -7.588 9.023 764 H ASP 101 HN ASP 101 -7.442 -4.781 8.640 765 HA ASP 101 HA ASP 101 -9.865 -3.703 9.804 766 HB2 ASP 101 HB2 ASP 101 -7.020 -3.249 10.007 767 HB3 ASP 101 HB3 ASP 101 -7.770 -1.722 9.562 768 H TYR 102 HN TYR 102 -7.731 -2.592 7.074 769 HA TYR 102 HA TYR 102 -9.386 -0.504 6.289 770 HB2 TYR 102 HB2 TYR 102 -7.163 -2.056 5.064 771 HB3 TYR 102 HB3 TYR 102 -8.249 -1.368 3.877 772 HD1 TYR 102 HD1 TYR 102 -9.143 1.144 4.747 773 HD2 TYR 102 HD2 TYR 102 -5.283 -0.670 5.445 774 HE1 TYR 102 HE1 TYR 102 -8.224 3.339 5.330 775 HE2 TYR 102 HE2 TYR 102 -4.338 1.555 5.940 776 HH TYR 102 HH TYR 102 -6.473 4.244 6.647 777 H LEU 103 HN LEU 103 -9.842 -3.891 5.517 778 HA LEU 103 HA LEU 103 -11.890 -3.476 3.500 779 HB2 LEU 103 HB2 LEU 103 -11.293 -5.768 5.410 780 HB3 LEU 103 HB3 LEU 103 -12.603 -5.809 4.225 781 HG LEU 103 HG LEU 103 -9.646 -5.376 3.507 782 HD11 LEU 103 HD11 LEU 103 -9.594 -7.717 2.851 783 HD12 LEU 103 HD12 LEU 103 -11.284 -7.923 3.337 784 HD13 LEU 103 HD13 LEU 103 -10.031 -7.590 4.552 785 HD21 LEU 103 HD21 LEU 103 -11.205 -4.569 1.745 786 HD22 LEU 103 HD22 LEU 103 -11.964 -6.173 1.722 787 HD23 LEU 103 HD23 LEU 103 -10.273 -5.984 1.230 788 H ALA 104 HN ALA 104 -11.931 -3.856 7.083 789 HA ALA 104 HA ALA 104 -14.812 -3.813 7.270 790 HB1 ALA 104 HB1 ALA 104 -12.663 -3.306 9.366 791 HB2 ALA 104 HB2 ALA 104 -14.395 -3.506 9.675 792 HB3 ALA 104 HB3 ALA 104 -13.475 -4.859 9.006 793 H GLU 105 HN GLU 105 -12.228 -1.250 7.546 794 HA GLU 105 HA GLU 105 -14.081 0.824 8.142 795 HB2 GLU 105 HB2 GLU 105 -11.358 0.776 6.804 796 HB3 GLU 105 HB3 GLU 105 -12.333 2.240 6.763 797 HG2 GLU 105 HG2 GLU 105 -12.278 1.246 9.461 798 HG3 GLU 105 HG3 GLU 105 -10.632 1.390 8.857 799 H LEU 106 HN LEU 106 -13.042 -0.479 4.919 800 HA LEU 106 HA LEU 106 -14.547 1.420 3.413 801 HB2 LEU 106 HB2 LEU 106 -12.637 0.170 2.578 802 HB3 LEU 106 HB3 LEU 106 -13.411 -1.359 2.856 803 HG LEU 106 HG LEU 106 -13.295 -0.408 0.370 804 HD11 LEU 106 HD11 LEU 106 -16.041 -1.254 1.339 805 HD12 LEU 106 HD12 LEU 106 -14.670 -2.359 1.382 806 HD13 LEU 106 HD13 LEU 106 -15.186 -1.685 -0.158 807 HD21 LEU 106 HD21 LEU 106 -14.848 1.172 -0.261 808 HD22 LEU 106 HD22 LEU 106 -13.969 1.841 1.122 809 HD23 LEU 106 HD23 LEU 106 -15.616 1.232 1.318 810 H ALA 107 HN ALA 107 -15.293 -1.739 4.706 811 HA ALA 107 HA ALA 107 -17.891 -1.997 3.523 812 HB1 ALA 107 HB1 ALA 107 -16.763 -3.314 6.040 813 HB2 ALA 107 HB2 ALA 107 -18.141 -3.861 5.064 814 HB3 ALA 107 HB3 ALA 107 -16.497 -3.893 4.385 815 H SER 108 HN SER 108 -16.857 -0.863 6.773 816 HA SER 108 HA SER 108 -19.515 -0.428 7.766 817 HB2 SER 108 HB2 SER 108 -17.532 -1.078 9.145 818 HB3 SER 108 HB3 SER 108 -16.798 0.488 8.786 819 HG SER 108 HG SER 108 -19.299 0.126 10.113 820 H ALA 109 HN ALA 109 -17.063 1.688 6.192 821 HA ALA 109 HA ALA 109 -18.439 4.166 6.714 822 HB1 ALA 109 HB1 ALA 109 -16.687 3.306 4.361 823 HB2 ALA 109 HB2 ALA 109 -17.207 4.966 4.716 824 HB3 ALA 109 HB3 ALA 109 -16.134 4.120 5.847 825 H GLY 110 HN GLY 110 -18.751 1.544 4.295 826 HA2 GLY 110 HA2 GLY 110 -20.686 1.016 3.061 827 HA3 GLY 110 HA1 GLY 110 -21.431 2.537 3.528 828 H LYS 111 HN LYS 111 -18.216 1.771 2.049 829 HA LYS 111 HA LYS 111 -19.107 2.988 -0.481 830 HB2 LYS 111 HB2 LYS 111 -16.361 3.351 0.704 831 HB3 LYS 111 HB3 LYS 111 -16.898 3.885 -0.874 832 HG2 LYS 111 HG2 LYS 111 -18.058 4.915 1.758 833 HG3 LYS 111 HG3 LYS 111 -16.768 5.660 0.856 834 HD2 LYS 111 HD2 LYS 111 -18.390 5.777 -1.162 835 HD3 LYS 111 HD3 LYS 111 -19.677 5.351 -0.009 836 HE2 LYS 111 HE2 LYS 111 -18.859 7.250 1.461 837 HE3 LYS 111 HE3 LYS 111 -17.714 7.637 0.175 838 HZ1 LYS 111 HZ1 LYS 111 -19.788 7.967 -1.261 839 HZ2 LYS 111 HZ2 LYS 111 -19.436 9.071 -0.112 840 HZ3 LYS 111 HZ3 LYS 111 -20.632 7.976 0.168 841 H SER 112 HN SER 112 -17.079 2.114 -2.080 842 HA SER 112 HA SER 112 -16.577 -0.730 -1.375 843 HB2 SER 112 HB2 SER 112 -18.126 0.417 -3.638 844 HB3 SER 112 HB3 SER 112 -17.220 -1.103 -3.857 845 HG SER 112 HG SER 112 -19.323 -1.547 -3.055 846 H ARG 113 HN ARG 113 -15.047 -1.766 -2.766 847 HA ARG 113 HA ARG 113 -12.739 -0.047 -3.315 848 HB2 ARG 113 HB2 ARG 113 -13.238 -2.920 -4.229 849 HB3 ARG 113 HB3 ARG 113 -11.709 -2.025 -4.262 850 HG2 ARG 113 HG2 ARG 113 -11.916 -1.859 -1.694 851 HG3 ARG 113 HG3 ARG 113 -13.317 -2.933 -1.792 852 HD2 ARG 113 HD2 ARG 113 -11.273 -4.184 -1.206 853 HD3 ARG 113 HD3 ARG 113 -11.928 -4.703 -2.775 854 HE ARG 113 HE ARG 113 -10.003 -2.551 -2.931 855 HH11 ARG 113 HH11 ARG 113 -10.065 -6.135 -2.724 856 HH12 ARG 113 HH12 ARG 113 -8.818 -6.290 -3.931 857 HH21 ARG 113 HH21 ARG 113 -8.465 -2.897 -4.657 858 HH22 ARG 113 HH22 ARG 113 -7.790 -4.472 -4.854 859 H ASP 114 HN ASP 114 -15.519 -1.199 -5.193 860 HA ASP 114 HA ASP 114 -14.337 -0.440 -7.777 861 HB2 ASP 114 HB2 ASP 114 -17.027 -1.192 -6.760 862 HB3 ASP 114 HB3 ASP 114 -16.982 -0.119 -8.151 863 HA PRO 115 HA PRO 115 -14.277 3.791 -6.949 864 HB2 PRO 115 HB2 PRO 115 -14.524 4.974 -9.445 865 HB3 PRO 115 HB3 PRO 115 -13.069 4.094 -8.889 866 HG2 PRO 115 HG2 PRO 115 -15.366 3.028 -10.563 867 HG3 PRO 115 HG3 PRO 115 -13.627 2.866 -10.871 868 HD2 PRO 115 HD2 PRO 115 -15.072 0.891 -9.699 869 HD3 PRO 115 HD3 PRO 115 -13.415 1.241 -9.127 870 H ASP 116 HN ASP 116 -17.064 2.689 -8.824 871 HA ASP 116 HA ASP 116 -18.833 4.464 -7.309 872 HB2 ASP 116 HB2 ASP 116 -18.156 5.618 -9.474 873 HB3 ASP 116 HB3 ASP 116 -18.972 4.337 -10.351 874 H GLU 117 HN GLU 117 -18.714 2.084 -6.456 875 HA GLU 117 HA GLU 117 -19.925 0.016 -7.996 876 HB2 GLU 117 HB2 GLU 117 -18.506 -0.026 -5.753 877 HB3 GLU 117 HB3 GLU 117 -20.096 0.077 -4.987 878 HG2 GLU 117 HG2 GLU 117 -20.816 -1.877 -6.444 879 HG3 GLU 117 HG3 GLU 117 -19.165 -1.956 -7.047 880 H SER 118 HN SER 118 -22.001 -0.677 -8.055 881 HA SER 118 HA SER 118 -24.260 0.905 -7.200 882 HB2 SER 118 HB2 SER 118 -23.936 -0.494 -9.324 883 HB3 SER 118 HB3 SER 118 -24.187 -1.921 -8.308 884 HG SER 118 HG SER 118 -26.068 -1.263 -9.281 885 H VAL 119 HN VAL 119 -22.781 0.449 -4.938 886 HA VAL 119 HA VAL 119 -22.437 -0.508 -3.004 887 HB VAL 119 HB VAL 119 -24.334 0.138 -1.812 888 HG11 VAL 119 HG11 VAL 119 -22.848 1.843 -2.568 889 HG12 VAL 119 HG12 VAL 119 -23.863 2.135 -3.994 890 HG13 VAL 119 HG13 VAL 119 -24.487 2.470 -2.370 891 HG21 VAL 119 HG21 VAL 119 -25.962 0.636 -4.325 892 HG22 VAL 119 HG22 VAL 119 -26.238 -0.708 -3.201 893 HG23 VAL 119 HG23 VAL 119 -26.452 0.951 -2.654 894 H VAL 120 HN VAL 120 -22.300 -2.803 -4.466 895 HA VAL 120 HA VAL 120 -24.643 -4.449 -3.953 896 HB VAL 120 HB VAL 120 -23.825 -4.739 -6.066 897 HG11 VAL 120 HG11 VAL 120 -21.580 -5.644 -6.632 898 HG12 VAL 120 HG12 VAL 120 -21.572 -3.992 -6.032 899 HG13 VAL 120 HG13 VAL 120 -21.071 -5.320 -4.966 900 HG21 VAL 120 HG21 VAL 120 -23.326 -7.152 -6.147 901 HG22 VAL 120 HG22 VAL 120 -23.026 -7.150 -4.400 902 HG23 VAL 120 HG23 VAL 120 -24.637 -6.770 -5.029 903 H LYS 121 HN LYS 121 -24.924 -4.766 -1.976 904 HA LYS 121 HA LYS 121 -25.031 -5.773 -0.071 905 HB2 LYS 121 HB2 LYS 121 -23.021 -7.648 -1.376 906 HB3 LYS 121 HB3 LYS 121 -23.626 -7.940 0.246 907 HG2 LYS 121 HG2 LYS 121 -25.975 -7.786 -0.590 908 HG3 LYS 121 HG3 LYS 121 -25.358 -7.532 -2.228 909 HD2 LYS 121 HD2 LYS 121 -24.344 -9.778 -2.214 910 HD3 LYS 121 HD3 LYS 121 -24.981 -10.050 -0.561 911 HE2 LYS 121 HE2 LYS 121 -27.278 -9.575 -1.382 912 HE3 LYS 121 HE3 LYS 121 -26.648 -9.283 -3.008 913 HZ1 LYS 121 HZ1 LYS 121 -25.922 -11.625 -3.019 914 HZ2 LYS 121 HZ2 LYS 121 -27.547 -11.410 -2.913 915 HZ3 LYS 121 HZ3 LYS 121 -26.660 -11.850 -1.565 916 H LEU 122 HN LEU 122 -23.976 -6.360 1.955 917 HA LEU 122 HA LEU 122 -21.638 -4.777 2.681 918 HB2 LEU 122 HB2 LEU 122 -22.815 -3.062 3.923 919 HB3 LEU 122 HB3 LEU 122 -23.086 -2.943 2.236 920 HG LEU 122 HG LEU 122 -25.013 -2.360 3.650 921 HD11 LEU 122 HD11 LEU 122 -25.268 -3.044 1.259 922 HD12 LEU 122 HD12 LEU 122 -26.702 -3.220 2.260 923 HD13 LEU 122 HD13 LEU 122 -25.764 -4.660 1.827 924 HD21 LEU 122 HD21 LEU 122 -24.849 -4.126 5.391 925 HD22 LEU 122 HD22 LEU 122 -25.380 -5.328 4.192 926 HD23 LEU 122 HD23 LEU 122 -26.451 -4.005 4.676 927 H MET 123 HN MET 123 -23.420 -7.395 3.235 928 HA MET 123 HA MET 123 -22.328 -7.763 5.888 929 HB2 MET 123 HB2 MET 123 -24.392 -8.642 6.857 930 HB3 MET 123 HB3 MET 123 -24.557 -6.938 6.466 931 HG2 MET 123 HG2 MET 123 -25.782 -7.524 4.416 932 HG3 MET 123 HG3 MET 123 -25.702 -9.235 4.837 933 HE1 MET 123 HE1 MET 123 -27.123 -10.390 6.615 934 HE2 MET 123 HE2 MET 123 -26.365 -9.407 7.890 935 HE3 MET 123 HE3 MET 123 -28.121 -9.561 7.826 936 H LEU 124 HN LEU 124 -21.719 -9.774 6.160 937 HA LEU 124 HA LEU 124 -20.339 -11.359 5.409 938 HB2 LEU 124 HB2 LEU 124 -22.641 -12.218 3.631 939 HB3 LEU 124 HB3 LEU 124 -21.013 -12.871 3.506 940 HG LEU 124 HG LEU 124 -21.160 -13.585 5.912 941 HD11 LEU 124 HD11 LEU 124 -24.078 -12.752 5.535 942 HD12 LEU 124 HD12 LEU 124 -22.935 -12.162 6.757 943 HD13 LEU 124 HD13 LEU 124 -23.516 -13.823 6.832 944 HD21 LEU 124 HD21 LEU 124 -21.531 -15.096 4.005 945 HD22 LEU 124 HD22 LEU 124 -23.255 -14.684 3.995 946 HD23 LEU 124 HD23 LEU 124 -22.538 -15.545 5.385 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 21.743 -1.653 11.315 2 HA2 GLY 1 HA2 GLY 1 22.121 1.133 10.392 3 HA3 GLY 1 HA1 GLY 1 23.039 -0.233 9.752 4 H MET 2 HN MET 2 19.459 0.236 10.399 5 HA MET 2 HA MET 2 17.716 0.448 9.116 6 HB2 MET 2 HB2 MET 2 19.704 1.908 7.953 7 HB3 MET 2 HB3 MET 2 19.189 0.937 6.585 8 HG2 MET 2 HG2 MET 2 16.849 1.754 6.961 9 HG3 MET 2 HG3 MET 2 17.458 2.735 8.293 10 HE1 MET 2 HE1 MET 2 20.467 3.467 6.374 11 HE2 MET 2 HE2 MET 2 19.960 5.164 6.270 12 HE3 MET 2 HE3 MET 2 19.770 4.284 7.792 13 H ARG 3 HN ARG 3 16.223 -0.934 8.134 14 HA ARG 3 HA ARG 3 17.176 -3.404 6.836 15 HB2 ARG 3 HB2 ARG 3 14.566 -2.308 7.942 16 HB3 ARG 3 HB3 ARG 3 14.475 -3.536 6.710 17 HG2 ARG 3 HG2 ARG 3 16.107 -4.028 9.202 18 HG3 ARG 3 HG3 ARG 3 14.368 -4.261 9.152 19 HD2 ARG 3 HD2 ARG 3 15.197 -6.385 8.699 20 HD3 ARG 3 HD3 ARG 3 14.602 -5.781 7.173 21 HE ARG 3 HE ARG 3 16.694 -6.035 6.280 22 HH11 ARG 3 HH11 ARG 3 17.144 -6.171 9.826 23 HH12 ARG 3 HH12 ARG 3 18.876 -6.179 9.692 24 HH21 ARG 3 HH21 ARG 3 18.930 -6.163 6.198 25 HH22 ARG 3 HH22 ARG 3 19.941 -6.172 7.605 26 H ILE 4 HN ILE 4 18.132 -2.508 4.909 27 HA ILE 4 HA ILE 4 16.204 -1.137 3.102 28 HB ILE 4 HB ILE 4 19.202 -1.348 2.747 29 HG12 ILE 4 HG12 ILE 4 17.510 0.740 4.164 30 HG13 ILE 4 HG13 ILE 4 18.919 -0.153 4.750 31 HG21 ILE 4 HG21 ILE 4 18.907 0.402 1.073 32 HG22 ILE 4 HG22 ILE 4 17.860 -0.948 0.674 33 HG23 ILE 4 HG23 ILE 4 17.176 0.479 1.442 34 HD11 ILE 4 HD11 ILE 4 18.923 2.105 2.725 35 HD12 ILE 4 HD12 ILE 4 19.599 2.088 4.361 36 HD13 ILE 4 HD13 ILE 4 20.331 1.092 3.097 37 HA PRO 5 HA PRO 5 16.093 -5.128 0.985 38 HB2 PRO 5 HB2 PRO 5 14.778 -4.420 -1.313 39 HB3 PRO 5 HB3 PRO 5 13.947 -4.537 0.271 40 HG2 PRO 5 HG2 PRO 5 15.112 -2.073 -1.040 41 HG3 PRO 5 HG3 PRO 5 13.451 -2.286 -0.371 42 HD2 PRO 5 HD2 PRO 5 15.443 -1.100 1.021 43 HD3 PRO 5 HD3 PRO 5 14.299 -2.200 1.856 44 H SER 6 HN SER 6 17.094 -6.204 -0.661 45 HA SER 6 HA SER 6 18.933 -4.625 -2.409 46 HB2 SER 6 HB2 SER 6 19.004 -7.625 -2.051 47 HB3 SER 6 HB3 SER 6 20.276 -6.536 -2.632 48 HG SER 6 HG SER 6 19.884 -5.646 -0.249 49 H ALA 7 HN ALA 7 16.196 -7.005 -2.327 50 HA ALA 7 HA ALA 7 16.319 -7.201 -5.270 51 HB1 ALA 7 HB1 ALA 7 16.151 -9.345 -4.112 52 HB2 ALA 7 HB2 ALA 7 14.737 -8.794 -3.199 53 HB3 ALA 7 HB3 ALA 7 14.634 -9.033 -4.946 54 H ILE 8 HN ILE 8 15.624 -4.904 -5.574 55 HA ILE 8 HA ILE 8 12.799 -4.422 -4.964 56 HB ILE 8 HB ILE 8 14.669 -2.797 -6.700 57 HG12 ILE 8 HG12 ILE 8 15.413 -2.689 -4.387 58 HG13 ILE 8 HG13 ILE 8 14.707 -1.163 -4.919 59 HG21 ILE 8 HG21 ILE 8 12.439 -2.392 -7.441 60 HG22 ILE 8 HG22 ILE 8 11.774 -2.434 -5.818 61 HG23 ILE 8 HG23 ILE 8 12.798 -1.062 -6.354 62 HD11 ILE 8 HD11 ILE 8 13.873 -1.518 -2.747 63 HD12 ILE 8 HD12 ILE 8 12.521 -1.915 -3.790 64 HD13 ILE 8 HD13 ILE 8 13.474 -3.232 -3.079 65 H GLN 9 HN GLN 9 11.398 -5.631 -6.024 66 HA GLN 9 HA GLN 9 11.466 -5.543 -8.968 67 HB2 GLN 9 HB2 GLN 9 11.241 -8.111 -7.434 68 HB3 GLN 9 HB3 GLN 9 9.998 -7.831 -8.657 69 HG2 GLN 9 HG2 GLN 9 11.788 -7.323 -10.330 70 HG3 GLN 9 HG3 GLN 9 12.991 -7.835 -9.136 71 HE21 GLN 9 HE21 GLN 9 13.188 -10.138 -8.676 72 HE22 GLN 9 HE22 GLN 9 12.351 -11.255 -9.723 73 H LEU 10 HN LEU 10 9.570 -4.721 -9.726 74 HA LEU 10 HA LEU 10 7.265 -4.614 -7.892 75 HB2 LEU 10 HB2 LEU 10 6.710 -2.630 -8.767 76 HB3 LEU 10 HB3 LEU 10 8.435 -2.517 -8.961 77 HG LEU 10 HG LEU 10 6.463 -3.272 -11.186 78 HD11 LEU 10 HD11 LEU 10 6.529 -0.825 -10.210 79 HD12 LEU 10 HD12 LEU 10 6.515 -1.103 -11.958 80 HD13 LEU 10 HD13 LEU 10 8.038 -0.736 -11.158 81 HD21 LEU 10 HD21 LEU 10 8.663 -4.258 -11.647 82 HD22 LEU 10 HD22 LEU 10 9.460 -2.721 -11.246 83 HD23 LEU 10 HD23 LEU 10 8.428 -2.850 -12.680 84 H HIS 11 HN HIS 11 8.386 -6.617 -10.250 85 HA HIS 11 HA HIS 11 7.518 -7.855 -11.959 86 HB2 HIS 11 HB2 HIS 11 5.629 -8.201 -9.635 87 HB3 HIS 11 HB3 HIS 11 5.483 -9.146 -11.104 88 HD1 HIS 11 HD1 HIS 11 7.534 -10.833 -11.698 89 HD2 HIS 11 HD2 HIS 11 7.632 -8.852 -7.973 90 HE1 HIS 11 HE1 HIS 11 9.314 -11.978 -10.265 91 H LYS 12 HN LYS 12 7.132 -5.812 -13.276 92 HA LYS 12 HA LYS 12 4.542 -4.681 -13.365 93 HB2 LYS 12 HB2 LYS 12 7.110 -4.384 -14.665 94 HB3 LYS 12 HB3 LYS 12 5.859 -4.299 -15.885 95 HG2 LYS 12 HG2 LYS 12 5.558 -2.695 -13.318 96 HG3 LYS 12 HG3 LYS 12 6.729 -2.199 -14.523 97 HD2 LYS 12 HD2 LYS 12 4.469 -2.609 -16.092 98 HD3 LYS 12 HD3 LYS 12 3.757 -2.019 -14.590 99 HE2 LYS 12 HE2 LYS 12 4.701 0.072 -14.803 100 HE3 LYS 12 HE3 LYS 12 6.196 -0.547 -15.501 101 HZ1 LYS 12 HZ1 LYS 12 3.664 -0.271 -16.968 102 HZ2 LYS 12 HZ2 LYS 12 5.087 -0.844 -17.589 103 HZ3 LYS 12 HZ3 LYS 12 4.998 0.720 -17.064 104 H ALA 13 HN ALA 13 5.199 -7.803 -14.341 105 HA ALA 13 HA ALA 13 3.011 -8.075 -16.236 106 HB1 ALA 13 HB1 ALA 13 4.615 -9.834 -16.198 107 HB2 ALA 13 HB2 ALA 13 4.462 -10.046 -14.442 108 HB3 ALA 13 HB3 ALA 13 3.115 -10.474 -15.523 109 H SER 14 HN SER 14 3.029 -9.423 -12.836 110 HA SER 14 HA SER 14 0.160 -8.880 -12.799 111 HB2 SER 14 HB2 SER 14 1.597 -11.004 -12.012 112 HB3 SER 14 HB3 SER 14 1.519 -10.156 -10.461 113 HG SER 14 HG SER 14 -0.876 -9.987 -11.223 114 H LYS 15 HN LYS 15 2.730 -7.035 -11.777 115 HA LYS 15 HA LYS 15 2.963 -5.158 -10.620 116 HB2 LYS 15 HB2 LYS 15 0.054 -4.991 -9.877 117 HB3 LYS 15 HB3 LYS 15 1.232 -3.720 -10.169 118 HG2 LYS 15 HG2 LYS 15 1.110 -4.430 -12.667 119 HG3 LYS 15 HG3 LYS 15 -0.290 -5.421 -12.186 120 HD2 LYS 15 HD2 LYS 15 -1.112 -3.296 -11.021 121 HD3 LYS 15 HD3 LYS 15 0.075 -2.423 -12.018 122 HE2 LYS 15 HE2 LYS 15 -2.264 -4.084 -12.968 123 HE3 LYS 15 HE3 LYS 15 -2.240 -2.335 -12.892 124 HZ1 LYS 15 HZ1 LYS 15 -0.467 -3.882 -14.677 125 HZ2 LYS 15 HZ2 LYS 15 -0.531 -2.242 -14.535 126 HZ3 LYS 15 HZ3 LYS 15 -1.819 -3.059 -15.107 127 H THR 16 HN THR 16 4.167 -6.769 -9.254 128 HA THR 16 HA THR 16 2.975 -7.007 -6.548 129 HB THR 16 HB THR 16 4.555 -9.143 -8.043 130 HG1 THR 16 HG1 THR 16 1.833 -9.371 -7.498 131 HG21 THR 16 HG21 THR 16 2.920 -9.297 -5.479 132 HG22 THR 16 HG22 THR 16 4.695 -9.364 -5.620 133 HG23 THR 16 HG23 THR 16 3.709 -10.659 -6.314 134 H LEU 17 HN LEU 17 4.212 -5.968 -5.119 135 HA LEU 17 HA LEU 17 6.981 -5.211 -5.692 136 HB2 LEU 17 HB2 LEU 17 5.393 -3.591 -4.768 137 HB3 LEU 17 HB3 LEU 17 5.109 -4.634 -3.370 138 HG LEU 17 HG LEU 17 7.507 -4.368 -2.725 139 HD11 LEU 17 HD11 LEU 17 8.315 -3.647 -5.078 140 HD12 LEU 17 HD12 LEU 17 8.933 -2.797 -3.643 141 HD13 LEU 17 HD13 LEU 17 7.704 -2.032 -4.678 142 HD21 LEU 17 HD21 LEU 17 5.705 -2.916 -1.827 143 HD22 LEU 17 HD22 LEU 17 6.038 -1.715 -3.075 144 HD23 LEU 17 HD23 LEU 17 7.267 -2.110 -1.841 145 H THR 18 HN THR 18 8.496 -6.738 -5.352 146 HA THR 18 HA THR 18 8.093 -8.958 -3.440 147 HB THR 18 HB THR 18 10.448 -8.225 -5.253 148 HG1 THR 18 HG1 THR 18 8.160 -9.852 -5.648 149 HG21 THR 18 HG21 THR 18 9.749 -10.864 -3.888 150 HG22 THR 18 HG22 THR 18 11.145 -9.829 -3.525 151 HG23 THR 18 HG23 THR 18 11.034 -10.623 -5.098 152 H LEU 19 HN LEU 19 9.175 -9.071 -1.366 153 HA LEU 19 HA LEU 19 11.405 -7.194 -0.926 154 HB2 LEU 19 HB2 LEU 19 8.838 -7.227 0.669 155 HB3 LEU 19 HB3 LEU 19 10.339 -6.678 1.377 156 HG LEU 19 HG LEU 19 8.904 -5.435 -0.990 157 HD11 LEU 19 HD11 LEU 19 9.552 -4.312 1.758 158 HD12 LEU 19 HD12 LEU 19 8.006 -5.024 1.280 159 HD13 LEU 19 HD13 LEU 19 8.583 -3.560 0.450 160 HD21 LEU 19 HD21 LEU 19 10.952 -4.673 -1.689 161 HD22 LEU 19 HD22 LEU 19 11.747 -5.084 -0.146 162 HD23 LEU 19 HD23 LEU 19 10.839 -3.589 -0.294 163 H ARG 20 HN ARG 20 13.047 -8.387 -0.246 164 HA ARG 20 HA ARG 20 12.591 -11.024 0.961 165 HB2 ARG 20 HB2 ARG 20 14.250 -10.690 -0.792 166 HB3 ARG 20 HB3 ARG 20 15.083 -9.478 0.181 167 HG2 ARG 20 HG2 ARG 20 15.443 -11.409 1.932 168 HG3 ARG 20 HG3 ARG 20 14.850 -12.476 0.668 169 HD2 ARG 20 HD2 ARG 20 17.276 -12.423 0.584 170 HD3 ARG 20 HD3 ARG 20 16.661 -11.603 -0.852 171 HE ARG 20 HE ARG 20 17.050 -9.620 1.082 172 HH11 ARG 20 HH11 ARG 20 19.160 -12.160 -0.122 173 HH12 ARG 20 HH12 ARG 20 20.604 -11.232 0.012 174 HH21 ARG 20 HH21 ARG 20 18.868 -8.307 1.090 175 HH22 ARG 20 HH22 ARG 20 20.350 -8.815 0.355 176 H TYR 21 HN TYR 21 11.607 -10.276 3.079 177 HA TYR 21 HA TYR 21 13.100 -8.672 4.908 178 HB2 TYR 21 HB2 TYR 21 10.606 -9.156 4.946 179 HB3 TYR 21 HB3 TYR 21 10.998 -10.711 5.661 180 HD1 TYR 21 HD1 TYR 21 12.194 -10.755 7.966 181 HD2 TYR 21 HD2 TYR 21 10.634 -7.132 6.220 182 HE1 TYR 21 HE1 TYR 21 12.308 -9.631 10.165 183 HE2 TYR 21 HE2 TYR 21 10.678 -6.039 8.405 184 HH TYR 21 HH TYR 21 11.211 -6.225 10.541 185 H GLY 22 HN GLY 22 15.256 -9.699 4.613 186 HA2 GLY 22 HA2 GLY 22 16.824 -10.376 6.282 187 HA3 GLY 22 HA1 GLY 22 15.573 -11.301 7.099 188 H GLU 23 HN GLU 23 14.905 -13.239 6.164 189 HA GLU 23 HA GLU 23 16.706 -14.529 4.194 190 HB2 GLU 23 HB2 GLU 23 16.807 -16.472 5.377 191 HB3 GLU 23 HB3 GLU 23 17.144 -15.156 6.522 192 HG2 GLU 23 HG2 GLU 23 15.368 -15.605 7.809 193 HG3 GLU 23 HG3 GLU 23 14.348 -15.783 6.396 194 H ASP 24 HN ASP 24 13.573 -13.644 5.057 195 HA ASP 24 HA ASP 24 12.312 -15.852 3.507 196 HB2 ASP 24 HB2 ASP 24 11.243 -13.779 5.464 197 HB3 ASP 24 HB3 ASP 24 10.187 -14.674 4.375 198 H SER 25 HN SER 25 10.708 -15.261 1.805 199 HA SER 25 HA SER 25 11.166 -12.608 0.577 200 HB2 SER 25 HB2 SER 25 10.605 -14.437 -1.464 201 HB3 SER 25 HB3 SER 25 12.113 -13.622 -1.055 202 HG SER 25 HG SER 25 11.358 -16.259 -0.453 203 H TYR 26 HN TYR 26 9.392 -11.425 0.665 204 HA TYR 26 HA TYR 26 6.708 -12.686 0.556 205 HB2 TYR 26 HB2 TYR 26 7.636 -10.010 1.664 206 HB3 TYR 26 HB3 TYR 26 6.006 -10.621 1.758 207 HD1 TYR 26 HD2 TYR 26 7.340 -13.601 2.513 208 HD2 TYR 26 HD1 TYR 26 7.715 -9.624 4.032 209 HE1 TYR 26 HE2 TYR 26 7.948 -14.512 4.744 210 HE2 TYR 26 HE1 TYR 26 8.482 -10.513 6.189 211 HH TYR 26 HH TYR 26 8.535 -12.478 7.581 212 H ASP 27 HN ASP 27 5.058 -11.511 -0.693 213 HA ASP 27 HA ASP 27 6.117 -9.855 -2.926 214 HB2 ASP 27 HB2 ASP 27 5.419 -12.716 -3.047 215 HB3 ASP 27 HB3 ASP 27 4.639 -11.733 -4.279 216 H LEU 28 HN LEU 28 4.992 -8.202 -2.206 217 HA LEU 28 HA LEU 28 2.236 -8.390 -1.410 218 HB2 LEU 28 HB2 LEU 28 4.216 -6.053 -1.555 219 HB3 LEU 28 HB3 LEU 28 2.654 -6.024 -0.757 220 HG LEU 28 HG LEU 28 3.677 -8.247 0.416 221 HD11 LEU 28 HD11 LEU 28 5.843 -8.338 -0.542 222 HD12 LEU 28 HD12 LEU 28 6.019 -7.871 1.123 223 HD13 LEU 28 HD13 LEU 28 6.185 -6.653 -0.176 224 HD21 LEU 28 HD21 LEU 28 4.537 -5.649 1.654 225 HD22 LEU 28 HD22 LEU 28 3.878 -7.113 2.365 226 HD23 LEU 28 HD23 LEU 28 2.831 -6.017 1.455 227 HA PRO 29 HA PRO 29 0.537 -7.016 -5.291 228 HB2 PRO 29 HB2 PRO 29 -1.932 -6.090 -4.624 229 HB3 PRO 29 HB3 PRO 29 -1.536 -7.813 -4.465 230 HG2 PRO 29 HG2 PRO 29 -1.507 -5.733 -2.339 231 HG3 PRO 29 HG3 PRO 29 -2.250 -7.355 -2.272 232 HD2 PRO 29 HD2 PRO 29 0.230 -6.878 -1.219 233 HD3 PRO 29 HD3 PRO 29 -0.141 -8.412 -2.094 234 H ALA 30 HN ALA 30 -0.090 -5.168 -6.527 235 HA ALA 30 HA ALA 30 0.949 -2.642 -5.538 236 HB1 ALA 30 HB1 ALA 30 0.073 -1.895 -7.807 237 HB2 ALA 30 HB2 ALA 30 1.152 -3.310 -7.896 238 HB3 ALA 30 HB3 ALA 30 -0.612 -3.508 -8.056 239 H GLU 31 HN GLU 31 -2.201 -4.062 -5.053 240 HA GLU 31 HA GLU 31 -3.453 -1.451 -4.655 241 HB2 GLU 31 HB2 GLU 31 -5.246 -2.673 -3.676 242 HB3 GLU 31 HB3 GLU 31 -4.791 -3.411 -5.191 243 HG2 GLU 31 HG2 GLU 31 -3.514 -4.696 -2.813 244 HG3 GLU 31 HG3 GLU 31 -5.250 -4.655 -2.743 245 H PHE 32 HN PHE 32 -1.507 -3.615 -2.708 246 HA PHE 32 HA PHE 32 -2.515 -2.885 -0.117 247 HB2 PHE 32 HB2 PHE 32 -1.392 -4.904 -0.397 248 HB3 PHE 32 HB3 PHE 32 0.029 -4.175 -1.108 249 HD1 PHE 32 HD2 PHE 32 -1.874 -4.695 2.046 250 HD2 PHE 32 HD1 PHE 32 1.806 -3.122 0.350 251 HE1 PHE 32 HE2 PHE 32 -0.844 -4.606 4.279 252 HE2 PHE 32 HE1 PHE 32 2.818 -3.213 2.442 253 HZ PHE 32 HZ PHE 32 1.519 -3.889 4.501 254 H LEU 33 HN LEU 33 0.505 -1.827 -1.645 255 HA LEU 33 HA LEU 33 1.368 -0.074 0.372 256 HB2 LEU 33 HB2 LEU 33 2.123 -0.440 -2.633 257 HB3 LEU 33 HB3 LEU 33 2.913 0.678 -1.484 258 HG LEU 33 HG LEU 33 4.110 -1.190 -1.534 259 HD11 LEU 33 HD11 LEU 33 4.089 -0.248 0.546 260 HD12 LEU 33 HD12 LEU 33 4.414 -1.978 0.647 261 HD13 LEU 33 HD13 LEU 33 2.836 -1.335 1.116 262 HD21 LEU 33 HD21 LEU 33 3.521 -3.525 -1.244 263 HD22 LEU 33 HD22 LEU 33 3.229 -2.671 -2.776 264 HD23 LEU 33 HD23 LEU 33 1.885 -3.031 -1.736 265 H ARG 34 HN ARG 34 -0.537 0.428 -2.479 266 HA ARG 34 HA ARG 34 -0.752 3.218 -2.393 267 HB2 ARG 34 HB2 ARG 34 -1.895 1.958 -4.177 268 HB3 ARG 34 HB3 ARG 34 -2.956 1.182 -3.009 269 HG2 ARG 34 HG2 ARG 34 -4.218 2.854 -4.181 270 HG3 ARG 34 HG3 ARG 34 -4.049 3.353 -2.510 271 HD2 ARG 34 HD2 ARG 34 -1.984 4.750 -3.344 272 HD3 ARG 34 HD3 ARG 34 -2.627 4.420 -4.947 273 HE ARG 34 HE ARG 34 -4.578 5.590 -4.496 274 HH11 ARG 34 HH11 ARG 34 -2.301 5.835 -1.730 275 HH12 ARG 34 HH12 ARG 34 -2.822 7.383 -1.213 276 HH21 ARG 34 HH21 ARG 34 -5.548 7.542 -3.538 277 HH22 ARG 34 HH22 ARG 34 -4.918 8.120 -2.060 278 H VAL 35 HN VAL 35 -2.798 1.018 -0.391 279 HA VAL 35 HA VAL 35 -4.038 3.380 0.882 280 HB VAL 35 HB VAL 35 -5.336 1.776 2.204 281 HG11 VAL 35 HG11 VAL 35 -6.012 2.634 -0.038 282 HG12 VAL 35 HG12 VAL 35 -5.321 1.184 -0.774 283 HG13 VAL 35 HG13 VAL 35 -6.709 1.071 0.349 284 HG21 VAL 35 HG21 VAL 35 -4.033 -0.397 0.512 285 HG22 VAL 35 HG22 VAL 35 -3.824 -0.208 2.271 286 HG23 VAL 35 HG23 VAL 35 -5.408 -0.609 1.621 287 H HIS 36 HN HIS 36 -1.343 1.217 1.601 288 HA HIS 36 HA HIS 36 -0.994 2.406 4.283 289 HB2 HIS 36 HB2 HIS 36 0.773 0.438 2.791 290 HB3 HIS 36 HB3 HIS 36 0.901 0.904 4.488 291 HD1 HIS 36 HD1 HIS 36 -1.570 -0.966 2.198 292 HD2 HIS 36 HD2 HIS 36 -0.580 -0.470 6.281 293 HE1 HIS 36 HE1 HIS 36 -2.941 -2.664 3.534 294 H SER 37 HN SER 37 -0.909 4.096 1.805 295 HA SER 37 HA SER 37 1.868 5.029 1.704 296 HB2 SER 37 HB2 SER 37 0.808 4.619 -0.393 297 HB3 SER 37 HB3 SER 37 -0.500 5.760 -0.001 298 HG SER 37 HG SER 37 2.151 6.702 0.120 299 HA PRO 38 HA PRO 38 0.059 8.118 4.689 300 HB2 PRO 38 HB2 PRO 38 2.285 8.580 6.142 301 HB3 PRO 38 HB3 PRO 38 1.294 7.110 6.419 302 HG2 PRO 38 HG2 PRO 38 3.841 7.309 4.810 303 HG3 PRO 38 HG3 PRO 38 3.383 6.099 6.048 304 HD2 PRO 38 HD2 PRO 38 3.044 5.703 3.344 305 HD3 PRO 38 HD3 PRO 38 1.966 4.993 4.582 306 H SER 39 HN SER 39 0.063 10.217 3.914 307 HA SER 39 HA SER 39 2.242 10.995 2.077 308 HB2 SER 39 HB2 SER 39 -0.382 11.478 1.833 309 HB3 SER 39 HB3 SER 39 0.075 12.918 2.773 310 HG SER 39 HG SER 39 1.168 11.920 0.352 311 H ALA 40 HN ALA 40 2.885 13.386 2.453 312 HA ALA 40 HA ALA 40 4.090 13.400 5.186 313 HB1 ALA 40 HB1 ALA 40 5.239 13.764 2.429 314 HB2 ALA 40 HB2 ALA 40 6.091 14.283 3.890 315 HB3 ALA 40 HB3 ALA 40 5.647 12.582 3.700 316 H GLU 41 HN GLU 41 1.999 15.261 3.350 317 HA GLU 41 HA GLU 41 2.928 17.788 4.488 318 HB2 GLU 41 HB2 GLU 41 0.798 17.295 2.383 319 HB3 GLU 41 HB3 GLU 41 1.420 18.858 2.898 320 HG2 GLU 41 HG2 GLU 41 3.656 18.263 1.942 321 HG3 GLU 41 HG3 GLU 41 2.973 16.741 1.352 322 H VAL 42 HN VAL 42 1.642 15.481 5.786 323 HA VAL 42 HA VAL 42 -1.137 16.211 6.324 324 HB VAL 42 HB VAL 42 0.507 13.957 7.475 325 HG11 VAL 42 HG11 VAL 42 -2.470 14.529 7.328 326 HG12 VAL 42 HG12 VAL 42 -1.891 12.844 7.500 327 HG13 VAL 42 HG13 VAL 42 -1.483 14.039 8.715 328 HG21 VAL 42 HG21 VAL 42 0.474 13.832 4.960 329 HG22 VAL 42 HG22 VAL 42 -0.391 12.497 5.712 330 HG23 VAL 42 HG23 VAL 42 -1.298 13.860 5.009 331 H GLN 43 HN GLN 43 1.608 17.346 7.537 332 HA GLN 43 HA GLN 43 2.105 18.711 9.334 333 HB2 GLN 43 HB2 GLN 43 0.360 20.333 9.866 334 HB3 GLN 43 HB3 GLN 43 0.515 20.025 8.139 335 HG2 GLN 43 HG2 GLN 43 -1.472 18.548 8.227 336 HG3 GLN 43 HG3 GLN 43 -1.665 18.903 9.953 337 HE21 GLN 43 HE21 GLN 43 -3.823 19.189 8.642 338 HE22 GLN 43 HE22 GLN 43 -4.107 20.745 7.919 339 H GLY 44 HN GLY 44 1.678 15.952 10.147 340 HA2 GLY 44 HA2 GLY 44 2.090 15.387 12.565 341 HA3 GLY 44 HA1 GLY 44 0.562 16.223 12.903 342 H HIS 45 HN HIS 45 -1.390 15.255 12.337 343 HA HIS 45 HA HIS 45 -1.244 12.485 11.214 344 HB2 HIS 45 HB2 HIS 45 -2.785 11.666 12.793 345 HB3 HIS 45 HB3 HIS 45 -1.501 12.459 13.686 346 HD1 HIS 45 HD1 HIS 45 -4.138 11.997 15.216 347 HD2 HIS 45 HD2 HIS 45 -3.416 15.402 12.842 348 HE1 HIS 45 HE1 HIS 45 -5.630 13.869 16.108 349 H GLY 46 HN GLY 46 -2.554 15.588 10.778 350 HA2 GLY 46 HA2 GLY 46 -4.302 16.426 9.602 351 HA3 GLY 46 HA1 GLY 46 -4.195 14.935 8.652 352 H ASN 47 HN ASN 47 -5.964 13.703 8.614 353 HA ASN 47 HA ASN 47 -7.843 13.615 10.879 354 HB2 ASN 47 HB2 ASN 47 -8.558 14.353 8.010 355 HB3 ASN 47 HB3 ASN 47 -9.711 14.026 9.295 356 HD21 ASN 47 HD21 ASN 47 -7.550 16.379 7.939 357 HD22 ASN 47 HD22 ASN 47 -7.716 17.611 9.152 358 HA PRO 48 HA PRO 48 -7.839 9.406 9.577 359 HB2 PRO 48 HB2 PRO 48 -10.277 8.449 10.343 360 HB3 PRO 48 HB3 PRO 48 -8.989 8.921 11.499 361 HG2 PRO 48 HG2 PRO 48 -11.368 10.574 10.610 362 HG3 PRO 48 HG3 PRO 48 -10.778 10.300 12.274 363 HD2 PRO 48 HD2 PRO 48 -10.137 12.530 10.866 364 HD3 PRO 48 HD3 PRO 48 -8.957 11.766 11.964 365 H VAL 49 HN VAL 49 -7.801 8.979 7.424 366 HA VAL 49 HA VAL 49 -10.385 9.049 5.965 367 HB VAL 49 HB VAL 49 -7.836 9.916 4.708 368 HG11 VAL 49 HG11 VAL 49 -9.488 8.970 3.153 369 HG12 VAL 49 HG12 VAL 49 -10.694 10.145 3.728 370 HG13 VAL 49 HG13 VAL 49 -9.245 10.692 2.872 371 HG21 VAL 49 HG21 VAL 49 -10.093 11.606 5.870 372 HG22 VAL 49 HG22 VAL 49 -8.361 11.738 6.230 373 HG23 VAL 49 HG23 VAL 49 -8.989 12.255 4.665 374 H LEU 50 HN LEU 50 -10.751 7.235 5.582 375 HA LEU 50 HA LEU 50 -9.002 4.944 5.000 376 HB2 LEU 50 HB2 LEU 50 -11.259 4.582 6.088 377 HB3 LEU 50 HB3 LEU 50 -12.026 5.474 4.771 378 HG LEU 50 HG LEU 50 -11.430 3.697 3.155 379 HD11 LEU 50 HD11 LEU 50 -10.161 2.414 5.608 380 HD12 LEU 50 HD12 LEU 50 -9.408 2.809 4.055 381 HD13 LEU 50 HD13 LEU 50 -10.590 1.499 4.139 382 HD21 LEU 50 HD21 LEU 50 -12.857 2.725 5.645 383 HD22 LEU 50 HD22 LEU 50 -12.973 2.028 4.002 384 HD23 LEU 50 HD23 LEU 50 -13.554 3.670 4.296 385 H GLN 51 HN GLN 51 -8.160 4.528 3.167 386 HA GLN 51 HA GLN 51 -8.920 5.968 0.723 387 HB2 GLN 51 HB2 GLN 51 -6.601 4.155 1.531 388 HB3 GLN 51 HB3 GLN 51 -6.719 4.961 -0.035 389 HG2 GLN 51 HG2 GLN 51 -6.659 6.446 2.654 390 HG3 GLN 51 HG3 GLN 51 -5.238 6.027 1.799 391 HE21 GLN 51 HE21 GLN 51 -6.986 8.611 2.437 392 HE22 GLN 51 HE22 GLN 51 -7.021 9.485 0.911 393 H TYR 52 HN TYR 52 -9.946 4.777 -0.982 394 HA TYR 52 HA TYR 52 -10.148 1.867 -0.736 395 HB2 TYR 52 HB2 TYR 52 -12.573 1.844 -1.037 396 HB3 TYR 52 HB3 TYR 52 -12.151 2.678 0.437 397 HD1 TYR 52 HD2 TYR 52 -13.475 3.126 -3.013 398 HD2 TYR 52 HD1 TYR 52 -12.525 5.076 0.739 399 HE1 TYR 52 HE2 TYR 52 -14.562 5.131 -3.804 400 HE2 TYR 52 HE1 TYR 52 -13.718 7.097 -0.047 401 HH TYR 52 HH TYR 52 -14.395 7.453 -3.457 402 H GLY 53 HN GLY 53 -11.724 1.278 -2.776 403 HA2 GLY 53 HA2 GLY 53 -11.759 1.245 -5.172 404 HA3 GLY 53 HA1 GLY 53 -10.549 2.503 -5.205 405 H LYS 54 HN LYS 54 -10.967 -0.777 -5.616 406 HA LYS 54 HA LYS 54 -8.066 -1.335 -5.746 407 HB2 LYS 54 HB2 LYS 54 -8.348 -1.753 -3.559 408 HB3 LYS 54 HB3 LYS 54 -9.756 -2.780 -3.763 409 HG2 LYS 54 HG2 LYS 54 -7.061 -3.503 -4.998 410 HG3 LYS 54 HG3 LYS 54 -7.452 -3.838 -3.278 411 HD2 LYS 54 HD2 LYS 54 -9.566 -4.946 -4.229 412 HD3 LYS 54 HD3 LYS 54 -8.771 -4.942 -5.771 413 HE2 LYS 54 HE2 LYS 54 -7.202 -6.052 -3.485 414 HE3 LYS 54 HE3 LYS 54 -8.635 -6.964 -3.955 415 HZ1 LYS 54 HZ1 LYS 54 -7.607 -6.913 -6.299 416 HZ2 LYS 54 HZ2 LYS 54 -6.915 -7.852 -5.131 417 HZ3 LYS 54 HZ3 LYS 54 -6.212 -6.432 -5.539 418 H LEU 55 HN LEU 55 -11.456 -2.275 -6.535 419 HA LEU 55 HA LEU 55 -10.875 -4.684 -7.846 420 HB2 LEU 55 HB2 LEU 55 -13.162 -2.681 -7.830 421 HB3 LEU 55 HB3 LEU 55 -13.093 -3.785 -9.163 422 HG LEU 55 HG LEU 55 -13.546 -5.622 -7.922 423 HD11 LEU 55 HD11 LEU 55 -12.274 -4.358 -5.509 424 HD12 LEU 55 HD12 LEU 55 -11.805 -5.854 -6.318 425 HD13 LEU 55 HD13 LEU 55 -13.256 -5.847 -5.385 426 HD21 LEU 55 HD21 LEU 55 -15.416 -4.144 -7.790 427 HD22 LEU 55 HD22 LEU 55 -14.799 -3.447 -6.266 428 HD23 LEU 55 HD23 LEU 55 -15.329 -5.140 -6.295 429 H ASN 56 HN ASN 56 -9.755 -1.720 -8.811 430 HA ASN 56 HA ASN 56 -9.349 -2.534 -11.623 431 HB2 ASN 56 HB2 ASN 56 -9.693 0.340 -11.091 432 HB3 ASN 56 HB3 ASN 56 -10.462 -0.676 -12.312 433 HD21 ASN 56 HD21 ASN 56 -12.646 -1.702 -11.668 434 HD22 ASN 56 HD22 ASN 56 -13.456 -1.009 -10.306 435 H VAL 57 HN VAL 57 -7.842 -1.473 -8.603 436 HA VAL 57 HA VAL 57 -6.050 0.440 -9.758 437 HB VAL 57 HB VAL 57 -6.859 0.202 -7.337 438 HG11 VAL 57 HG11 VAL 57 -6.094 -2.182 -7.057 439 HG12 VAL 57 HG12 VAL 57 -4.427 -1.572 -7.048 440 HG13 VAL 57 HG13 VAL 57 -5.554 -1.063 -5.802 441 HG21 VAL 57 HG21 VAL 57 -3.862 0.727 -7.710 442 HG22 VAL 57 HG22 VAL 57 -5.153 1.898 -7.983 443 HG23 VAL 57 HG23 VAL 57 -4.864 1.275 -6.368 444 H GLY 58 HN GLY 58 -3.808 0.415 -10.043 445 HA2 GLY 58 HA2 GLY 58 -2.379 -1.978 -9.364 446 HA3 GLY 58 HA1 GLY 58 -2.463 -1.679 -11.113 447 H LEU 59 HN LEU 59 0.024 -1.699 -10.194 448 HA LEU 59 HA LEU 59 1.067 0.956 -9.526 449 HB2 LEU 59 HB2 LEU 59 1.976 -1.783 -9.266 450 HB3 LEU 59 HB3 LEU 59 3.043 -0.897 -10.311 451 HG LEU 59 HG LEU 59 3.795 -0.975 -7.991 452 HD11 LEU 59 HD11 LEU 59 4.422 1.464 -8.002 453 HD12 LEU 59 HD12 LEU 59 3.232 1.701 -9.273 454 HD13 LEU 59 HD13 LEU 59 4.649 0.668 -9.571 455 HD21 LEU 59 HD21 LEU 59 2.871 0.534 -6.347 456 HD22 LEU 59 HD22 LEU 59 1.606 -0.600 -6.837 457 HD23 LEU 59 HD23 LEU 59 1.627 1.072 -7.471 458 H VAL 60 HN VAL 60 2.309 2.105 -10.807 459 HA VAL 60 HA VAL 60 2.615 1.547 -13.682 460 HB VAL 60 HB VAL 60 2.794 4.060 -13.798 461 HG11 VAL 60 HG11 VAL 60 0.305 4.211 -13.981 462 HG12 VAL 60 HG12 VAL 60 0.950 2.741 -14.719 463 HG13 VAL 60 HG13 VAL 60 0.166 2.631 -13.164 464 HG21 VAL 60 HG21 VAL 60 2.198 3.894 -10.976 465 HG22 VAL 60 HG22 VAL 60 2.909 5.141 -11.973 466 HG23 VAL 60 HG23 VAL 60 1.135 4.993 -11.889 467 H GLY 61 HN GLY 61 4.370 2.856 -10.844 468 HA2 GLY 61 HA2 GLY 61 6.908 1.969 -11.908 469 HA3 GLY 61 HA1 GLY 61 6.691 3.712 -12.112 470 H VAL 62 HN VAL 62 8.793 2.904 -10.523 471 HA VAL 62 HA VAL 62 8.160 3.810 -7.883 472 HB VAL 62 HB VAL 62 7.276 1.650 -7.645 473 HG11 VAL 62 HG11 VAL 62 8.566 0.502 -9.535 474 HG12 VAL 62 HG12 VAL 62 9.900 0.296 -8.404 475 HG13 VAL 62 HG13 VAL 62 8.332 -0.462 -8.065 476 HG21 VAL 62 HG21 VAL 62 8.584 2.371 -5.715 477 HG22 VAL 62 HG22 VAL 62 8.458 0.618 -5.848 478 HG23 VAL 62 HG23 VAL 62 9.961 1.425 -6.321 479 H GLU 63 HN GLU 63 9.918 4.857 -7.289 480 HA GLU 63 HA GLU 63 12.571 4.189 -8.513 481 HB2 GLU 63 HB2 GLU 63 11.242 6.886 -8.912 482 HB3 GLU 63 HB3 GLU 63 12.892 6.478 -9.355 483 HG2 GLU 63 HG2 GLU 63 11.767 4.478 -10.683 484 HG3 GLU 63 HG3 GLU 63 10.325 5.477 -10.566 485 HA PRO 64 HA PRO 64 13.946 5.059 -4.658 486 HB2 PRO 64 HB2 PRO 64 16.639 5.649 -4.941 487 HB3 PRO 64 HB3 PRO 64 15.903 4.052 -5.283 488 HG2 PRO 64 HG2 PRO 64 16.472 6.287 -7.251 489 HG3 PRO 64 HG3 PRO 64 16.914 4.554 -7.395 490 HD2 PRO 64 HD2 PRO 64 14.685 5.557 -8.591 491 HD3 PRO 64 HD3 PRO 64 14.645 3.952 -7.804 492 H ALA 65 HN ALA 65 13.155 6.628 -3.390 493 HA ALA 65 HA ALA 65 13.121 9.363 -4.276 494 HB1 ALA 65 HB1 ALA 65 11.234 8.087 -2.990 495 HB2 ALA 65 HB2 ALA 65 12.230 8.267 -1.566 496 HB3 ALA 65 HB3 ALA 65 11.609 9.709 -2.386 497 H GLY 66 HN GLY 66 15.661 8.365 -3.497 498 HA2 GLY 66 HA2 GLY 66 17.294 10.127 -2.531 499 HA3 GLY 66 HA1 GLY 66 16.396 9.873 -1.020 500 H GLN 67 HN GLN 67 18.043 8.927 0.096 501 HA GLN 67 HA GLN 67 19.055 6.275 -0.863 502 HB2 GLN 67 HB2 GLN 67 20.349 8.054 1.221 503 HB3 GLN 67 HB3 GLN 67 21.013 6.623 0.411 504 HG2 GLN 67 HG2 GLN 67 20.717 7.943 -1.792 505 HG3 GLN 67 HG3 GLN 67 20.428 9.369 -0.764 506 HE21 GLN 67 HE21 GLN 67 22.422 9.555 -2.523 507 HE22 GLN 67 HE22 GLN 67 23.971 9.514 -1.755 508 H TYR 68 HN TYR 68 16.796 7.586 1.188 509 HA TYR 68 HA TYR 68 16.966 5.402 3.190 510 HB2 TYR 68 HB2 TYR 68 16.148 7.135 4.838 511 HB3 TYR 68 HB3 TYR 68 17.815 7.222 4.345 512 HD1 TYR 68 HD2 TYR 68 18.607 9.003 2.735 513 HD2 TYR 68 HD1 TYR 68 14.648 9.009 4.480 514 HE1 TYR 68 HE2 TYR 68 18.369 11.371 2.129 515 HE2 TYR 68 HE1 TYR 68 14.442 11.416 3.968 516 HH TYR 68 HH TYR 68 16.827 13.187 2.025 517 H ALA 69 HN ALA 69 15.156 6.184 0.597 518 HA ALA 69 HA ALA 69 12.585 5.486 1.750 519 HB1 ALA 69 HB1 ALA 69 11.699 7.548 0.546 520 HB2 ALA 69 HB2 ALA 69 12.551 7.930 2.083 521 HB3 ALA 69 HB3 ALA 69 13.343 8.186 0.512 522 H LEU 70 HN LEU 70 11.085 5.114 -0.141 523 HA LEU 70 HA LEU 70 12.368 4.878 -2.780 524 HB2 LEU 70 HB2 LEU 70 11.895 2.633 -1.255 525 HB3 LEU 70 HB3 LEU 70 10.305 2.855 -1.963 526 HG LEU 70 HG LEU 70 12.931 2.276 -3.357 527 HD11 LEU 70 HD11 LEU 70 11.709 0.387 -4.287 528 HD12 LEU 70 HD12 LEU 70 10.211 0.928 -3.496 529 HD13 LEU 70 HD13 LEU 70 11.591 0.386 -2.516 530 HD21 LEU 70 HD21 LEU 70 11.988 3.974 -4.732 531 HD22 LEU 70 HD22 LEU 70 10.378 3.229 -4.663 532 HD23 LEU 70 HD23 LEU 70 11.723 2.438 -5.518 533 H LYS 71 HN LYS 71 10.880 5.727 -4.405 534 HA LYS 71 HA LYS 71 8.420 6.953 -3.322 535 HB2 LYS 71 HB2 LYS 71 10.388 8.047 -4.883 536 HB3 LYS 71 HB3 LYS 71 9.461 7.282 -6.136 537 HG2 LYS 71 HG2 LYS 71 8.657 9.460 -5.989 538 HG3 LYS 71 HG3 LYS 71 7.429 8.470 -5.195 539 HD2 LYS 71 HD2 LYS 71 7.731 9.471 -3.160 540 HD3 LYS 71 HD3 LYS 71 9.492 9.566 -3.342 541 HE2 LYS 71 HE2 LYS 71 9.306 11.435 -4.890 542 HE3 LYS 71 HE3 LYS 71 7.547 11.335 -4.860 543 HZ1 LYS 71 HZ1 LYS 71 9.361 12.297 -2.762 544 HZ2 LYS 71 HZ2 LYS 71 7.810 11.794 -2.379 545 HZ3 LYS 71 HZ3 LYS 71 8.054 13.018 -3.458 546 H LEU 72 HN LEU 72 6.440 6.096 -3.971 547 HA LEU 72 HA LEU 72 6.442 4.026 -6.148 548 HB2 LEU 72 HB2 LEU 72 4.786 4.270 -3.619 549 HB3 LEU 72 HB3 LEU 72 4.161 3.432 -5.024 550 HG LEU 72 HG LEU 72 6.886 2.533 -4.342 551 HD11 LEU 72 HD11 LEU 72 4.735 2.107 -2.256 552 HD12 LEU 72 HD12 LEU 72 6.299 2.934 -2.062 553 HD13 LEU 72 HD13 LEU 72 6.259 1.196 -2.361 554 HD21 LEU 72 HD21 LEU 72 5.873 0.300 -4.555 555 HD22 LEU 72 HD22 LEU 72 5.389 1.334 -5.905 556 HD23 LEU 72 HD23 LEU 72 4.249 1.027 -4.580 557 H SER 73 HN SER 73 5.000 4.358 -7.810 558 HA SER 73 HA SER 73 3.335 6.828 -7.800 559 HB2 SER 73 HB2 SER 73 4.429 5.080 -10.068 560 HB3 SER 73 HB3 SER 73 3.330 6.430 -10.289 561 HG SER 73 HG SER 73 5.752 6.757 -10.462 562 H PHE 74 HN PHE 74 1.034 6.393 -7.946 563 HA PHE 74 HA PHE 74 0.248 3.559 -8.399 564 HB2 PHE 74 HB2 PHE 74 -1.084 5.350 -6.318 565 HB3 PHE 74 HB3 PHE 74 -1.452 3.680 -6.699 566 HD1 PHE 74 HD2 PHE 74 0.242 1.878 -6.065 567 HD2 PHE 74 HD1 PHE 74 0.428 5.913 -4.554 568 HE1 PHE 74 HE2 PHE 74 1.684 1.118 -4.222 569 HE2 PHE 74 HE1 PHE 74 1.778 5.128 -2.647 570 HZ PHE 74 HZ PHE 74 2.460 2.755 -2.485 571 H ASP 75 HN ASP 75 -1.513 3.559 -9.599 572 HA ASP 75 HA ASP 75 -2.014 5.892 -11.259 573 HB2 ASP 75 HB2 ASP 75 -1.546 3.991 -12.429 574 HB3 ASP 75 HB3 ASP 75 -2.556 2.948 -11.456 575 H ASP 76 HN ASP 76 -3.726 4.641 -8.553 576 HA ASP 76 HA ASP 76 -5.970 6.467 -9.225 577 HB2 ASP 76 HB2 ASP 76 -7.308 5.358 -7.716 578 HB3 ASP 76 HB3 ASP 76 -6.457 4.035 -8.502 579 H GLY 77 HN GLY 77 -2.964 6.641 -8.003 580 HA2 GLY 77 HA2 GLY 77 -3.588 8.095 -5.477 581 HA3 GLY 77 HA1 GLY 77 -2.113 7.186 -5.822 582 H HIS 78 HN HIS 78 -0.704 9.026 -5.392 583 HA HIS 78 HA HIS 78 -0.458 10.943 -7.543 584 HB2 HIS 78 HB2 HIS 78 -0.321 12.707 -5.786 585 HB3 HIS 78 HB3 HIS 78 -1.955 12.132 -6.115 586 HD1 HIS 78 HD1 HIS 78 0.405 12.706 -3.248 587 HD2 HIS 78 HD2 HIS 78 -3.096 10.525 -4.104 588 HE1 HIS 78 HE1 HIS 78 -0.542 12.018 -1.045 589 H ASP 79 HN ASP 79 1.768 11.549 -7.702 590 HA ASP 79 HA ASP 79 3.620 9.935 -6.102 591 HB2 ASP 79 HB2 ASP 79 3.755 9.837 -8.514 592 HB3 ASP 79 HB3 ASP 79 4.046 11.587 -8.606 593 H SER 80 HN SER 80 2.670 11.584 -4.378 594 HA SER 80 HA SER 80 4.873 13.428 -3.833 595 HB2 SER 80 HB2 SER 80 3.068 14.683 -5.141 596 HB3 SER 80 HB3 SER 80 2.089 14.579 -3.678 597 HG SER 80 HG SER 80 3.353 16.507 -3.865 598 H GLY 81 HN GLY 81 4.800 11.214 -2.728 599 HA2 GLY 81 HA2 GLY 81 3.895 11.749 0.058 600 HA3 GLY 81 HA1 GLY 81 3.719 10.133 -0.664 601 H LEU 82 HN LEU 82 5.114 9.896 1.424 602 HA LEU 82 HA LEU 82 7.899 9.598 0.522 603 HB2 LEU 82 HB2 LEU 82 6.972 10.933 3.090 604 HB3 LEU 82 HB3 LEU 82 8.355 9.879 3.119 605 HG LEU 82 HG LEU 82 9.187 11.310 1.029 606 HD11 LEU 82 HD11 LEU 82 7.754 13.511 2.493 607 HD12 LEU 82 HD12 LEU 82 7.084 12.757 1.027 608 HD13 LEU 82 HD13 LEU 82 8.647 13.567 0.976 609 HD21 LEU 82 HD21 LEU 82 9.363 12.331 3.894 610 HD22 LEU 82 HD22 LEU 82 10.479 12.708 2.549 611 HD23 LEU 82 HD23 LEU 82 10.385 11.062 3.182 612 H PHE 83 HN PHE 83 8.903 7.846 1.596 613 HA PHE 83 HA PHE 83 7.325 6.016 3.234 614 HB2 PHE 83 HB2 PHE 83 8.646 5.188 0.632 615 HB3 PHE 83 HB3 PHE 83 8.437 4.050 1.938 616 HD1 PHE 83 HD1 PHE 83 6.190 3.516 2.839 617 HD2 PHE 83 HD2 PHE 83 6.761 5.589 -0.876 618 HE1 PHE 83 HE1 PHE 83 3.829 3.006 2.193 619 HE2 PHE 83 HE2 PHE 83 4.386 5.106 -1.497 620 HZ PHE 83 HZ PHE 83 2.928 3.823 0.083 621 H THR 84 HN THR 84 9.076 4.265 4.116 622 HA THR 84 HA THR 84 11.780 5.323 4.019 623 HB THR 84 HB THR 84 10.934 4.665 6.801 624 HG1 THR 84 HG1 THR 84 9.563 6.170 7.048 625 HG21 THR 84 HG21 THR 84 12.473 6.541 7.271 626 HG22 THR 84 HG22 THR 84 12.521 6.962 5.542 627 HG23 THR 84 HG23 THR 84 13.202 5.434 6.087 628 H TRP 85 HN TRP 85 13.334 3.717 4.725 629 HA TRP 85 HA TRP 85 12.606 1.233 3.610 630 HB2 TRP 85 HB2 TRP 85 15.072 2.117 5.160 631 HB3 TRP 85 HB3 TRP 85 14.916 0.568 4.379 632 HD1 TRP 85 HD1 TRP 85 16.751 3.315 3.726 633 HE1 TRP 85 HE1 TRP 85 17.272 3.653 1.243 634 HE3 TRP 85 HE3 TRP 85 13.062 0.346 1.717 635 HZ2 TRP 85 HZ2 TRP 85 16.282 2.616 -1.278 636 HZ3 TRP 85 HZ3 TRP 85 12.921 0.019 -0.699 637 HH2 TRP 85 HH2 TRP 85 14.526 1.146 -2.219 638 H ASP 86 HN ASP 86 13.056 2.081 7.092 639 HA ASP 86 HA ASP 86 12.697 -0.476 8.192 640 HB2 ASP 86 HB2 ASP 86 12.679 2.268 9.078 641 HB3 ASP 86 HB3 ASP 86 11.245 1.517 9.743 642 H TYR 87 HN TYR 87 10.236 1.942 7.382 643 HA TYR 87 HA TYR 87 7.933 0.423 8.051 644 HB2 TYR 87 HB2 TYR 87 8.010 2.836 7.934 645 HB3 TYR 87 HB3 TYR 87 8.324 2.799 6.205 646 HD1 TYR 87 HD1 TYR 87 5.763 1.067 8.425 647 HD2 TYR 87 HD2 TYR 87 6.486 3.714 5.102 648 HE1 TYR 87 HE1 TYR 87 3.362 1.212 8.025 649 HE2 TYR 87 HE2 TYR 87 4.061 3.865 4.684 650 HH TYR 87 HH TYR 87 2.024 2.893 5.142 651 H LEU 88 HN LEU 88 9.726 0.678 4.898 652 HA LEU 88 HA LEU 88 7.705 -0.678 3.393 653 HB2 LEU 88 HB2 LEU 88 10.647 -0.205 3.027 654 HB3 LEU 88 HB3 LEU 88 9.880 -1.427 2.019 655 HG LEU 88 HG LEU 88 8.767 1.404 2.247 656 HD11 LEU 88 HD11 LEU 88 10.721 0.290 0.199 657 HD12 LEU 88 HD12 LEU 88 11.042 1.567 1.400 658 HD13 LEU 88 HD13 LEU 88 9.886 1.858 0.100 659 HD21 LEU 88 HD21 LEU 88 8.367 -0.840 0.204 660 HD22 LEU 88 HD22 LEU 88 7.733 0.818 0.041 661 HD23 LEU 88 HD23 LEU 88 7.154 -0.218 1.339 662 H TYR 89 HN TYR 89 10.557 -1.962 5.152 663 HA TYR 89 HA TYR 89 9.774 -4.679 4.494 664 HB2 TYR 89 HB2 TYR 89 11.988 -3.366 5.979 665 HB3 TYR 89 HB3 TYR 89 11.560 -4.961 6.551 666 HD1 TYR 89 HD2 TYR 89 10.839 -6.574 4.149 667 HD2 TYR 89 HD1 TYR 89 13.893 -3.545 4.648 668 HE1 TYR 89 HE2 TYR 89 12.093 -7.547 2.384 669 HE2 TYR 89 HE1 TYR 89 15.309 -4.756 3.029 670 HH TYR 89 HH TYR 89 14.564 -7.806 1.795 671 H GLU 90 HN GLU 90 9.180 -2.566 7.317 672 HA GLU 90 HA GLU 90 8.031 -4.431 9.062 673 HB2 GLU 90 HB2 GLU 90 8.389 -1.992 9.487 674 HB3 GLU 90 HB3 GLU 90 7.107 -1.625 8.321 675 HG2 GLU 90 HG2 GLU 90 5.570 -3.080 9.799 676 HG3 GLU 90 HG3 GLU 90 6.835 -2.967 11.008 677 H LEU 91 HN LEU 91 6.372 -2.528 6.482 678 HA LEU 91 HA LEU 91 3.914 -3.859 6.558 679 HB2 LEU 91 HB2 LEU 91 5.350 -2.542 4.239 680 HB3 LEU 91 HB3 LEU 91 3.693 -3.097 4.238 681 HG LEU 91 HG LEU 91 4.741 -0.831 5.936 682 HD11 LEU 91 HD11 LEU 91 3.479 0.561 4.425 683 HD12 LEU 91 HD12 LEU 91 2.696 -0.836 3.665 684 HD13 LEU 91 HD13 LEU 91 4.412 -0.544 3.395 685 HD21 LEU 91 HD21 LEU 91 2.904 -1.986 7.128 686 HD22 LEU 91 HD22 LEU 91 1.900 -1.851 5.652 687 HD23 LEU 91 HD23 LEU 91 2.400 -0.410 6.538 688 H ALA 92 HN ALA 92 6.901 -4.975 5.014 689 HA ALA 92 HA ALA 92 5.842 -6.847 3.148 690 HB1 ALA 92 HB1 ALA 92 8.247 -6.039 3.397 691 HB2 ALA 92 HB2 ALA 92 8.431 -7.279 4.654 692 HB3 ALA 92 HB3 ALA 92 7.992 -7.733 2.995 693 H THR 93 HN THR 93 6.856 -7.432 6.594 694 HA THR 93 HA THR 93 5.679 -10.109 6.568 695 HB THR 93 HB THR 93 7.637 -9.786 7.884 696 HG1 THR 93 HG1 THR 93 5.825 -11.139 8.697 697 HG21 THR 93 HG21 THR 93 7.563 -7.458 8.440 698 HG22 THR 93 HG22 THR 93 7.691 -8.419 9.925 699 HG23 THR 93 HG23 THR 93 6.131 -7.711 9.469 700 H ARG 94 HN ARG 94 4.621 -6.850 7.584 701 HA ARG 94 HA ARG 94 2.454 -7.803 9.235 702 HB2 ARG 94 HB2 ARG 94 3.256 -5.135 8.113 703 HB3 ARG 94 HB3 ARG 94 1.808 -5.417 9.015 704 HG2 ARG 94 HG2 ARG 94 3.957 -6.728 10.455 705 HG3 ARG 94 HG3 ARG 94 4.469 -5.120 10.062 706 HD2 ARG 94 HD2 ARG 94 3.200 -4.322 11.721 707 HD3 ARG 94 HD3 ARG 94 1.741 -4.804 10.899 708 HE ARG 94 HE ARG 94 2.772 -7.102 12.216 709 HH11 ARG 94 HH11 ARG 94 1.880 -3.843 13.274 710 HH12 ARG 94 HH12 ARG 94 0.963 -4.312 14.629 711 HH21 ARG 94 HH21 ARG 94 1.773 -7.772 14.117 712 HH22 ARG 94 HH22 ARG 94 1.240 -6.658 15.330 713 H LYS 95 HN LYS 95 2.809 -7.336 5.755 714 HA LYS 95 HA LYS 95 0.460 -6.391 5.077 715 HB2 LYS 95 HB2 LYS 95 1.938 -6.792 3.339 716 HB3 LYS 95 HB3 LYS 95 2.039 -8.513 3.649 717 HG2 LYS 95 HG2 LYS 95 -0.256 -8.815 2.882 718 HG3 LYS 95 HG3 LYS 95 -0.357 -7.108 2.400 719 HD2 LYS 95 HD2 LYS 95 1.175 -7.437 0.650 720 HD3 LYS 95 HD3 LYS 95 1.940 -8.804 1.472 721 HE2 LYS 95 HE2 LYS 95 0.634 -9.348 -0.575 722 HE3 LYS 95 HE3 LYS 95 0.367 -10.363 0.808 723 HZ1 LYS 95 HZ1 LYS 95 -1.656 -9.358 1.309 724 HZ2 LYS 95 HZ2 LYS 95 -1.721 -9.761 -0.223 725 HZ3 LYS 95 HZ3 LYS 95 -1.516 -8.178 0.154 726 H ASP 96 HN ASP 96 0.847 -9.928 5.493 727 HA ASP 96 HA ASP 96 -1.603 -10.757 4.563 728 HB2 ASP 96 HB2 ASP 96 0.573 -11.991 5.960 729 HB3 ASP 96 HB3 ASP 96 -0.907 -12.543 6.679 730 H GLN 97 HN GLN 97 -0.852 -9.344 7.544 731 HA GLN 97 HA GLN 97 -3.455 -9.902 8.849 732 HB2 GLN 97 HB2 GLN 97 -1.638 -10.150 10.279 733 HB3 GLN 97 HB3 GLN 97 -0.662 -8.723 9.645 734 HG2 GLN 97 HG2 GLN 97 -1.523 -8.239 11.880 735 HG3 GLN 97 HG3 GLN 97 -2.459 -7.313 10.809 736 HE21 GLN 97 HE21 GLN 97 -4.782 -7.947 10.435 737 HE22 GLN 97 HE22 GLN 97 -5.472 -9.260 11.257 738 H LEU 98 HN LEU 98 -1.369 -6.984 7.946 739 HA LEU 98 HA LEU 98 -3.212 -4.962 8.574 740 HB2 LEU 98 HB2 LEU 98 -0.897 -5.284 6.774 741 HB3 LEU 98 HB3 LEU 98 -2.018 -4.101 6.204 742 HG LEU 98 HG LEU 98 -1.745 -2.700 8.088 743 HD11 LEU 98 HD11 LEU 98 -1.789 -4.237 9.963 744 HD12 LEU 98 HD12 LEU 98 -0.280 -3.316 10.018 745 HD13 LEU 98 HD13 LEU 98 -0.282 -4.990 9.419 746 HD21 LEU 98 HD21 LEU 98 0.987 -3.930 7.543 747 HD22 LEU 98 HD22 LEU 98 0.630 -2.263 8.097 748 HD23 LEU 98 HD23 LEU 98 0.150 -2.816 6.479 749 H TRP 99 HN TRP 99 -2.911 -6.790 5.592 750 HA TRP 99 HA TRP 99 -4.881 -5.517 4.091 751 HB2 TRP 99 HB2 TRP 99 -3.214 -7.189 3.234 752 HB3 TRP 99 HB3 TRP 99 -4.145 -8.492 3.996 753 HD1 TRP 99 HD1 TRP 99 -5.546 -9.681 2.284 754 HE1 TRP 99 HE1 TRP 99 -6.955 -9.085 0.191 755 HE3 TRP 99 HE3 TRP 99 -4.590 -4.632 2.084 756 HZ2 TRP 99 HZ2 TRP 99 -7.734 -6.757 -1.145 757 HZ3 TRP 99 HZ3 TRP 99 -5.681 -3.260 0.307 758 HH2 TRP 99 HH2 TRP 99 -7.311 -4.312 -1.238 759 H ALA 100 HN ALA 100 -5.231 -8.463 6.118 760 HA ALA 100 HA ALA 100 -8.036 -8.633 5.924 761 HB1 ALA 100 HB1 ALA 100 -6.539 -10.465 6.598 762 HB2 ALA 100 HB2 ALA 100 -6.066 -9.600 8.069 763 HB3 ALA 100 HB3 ALA 100 -7.721 -10.179 7.882 764 H ASP 101 HN ASP 101 -6.084 -6.415 7.975 765 HA ASP 101 HA ASP 101 -8.409 -5.779 9.632 766 HB2 ASP 101 HB2 ASP 101 -5.933 -5.466 10.261 767 HB3 ASP 101 HB3 ASP 101 -5.938 -4.073 9.180 768 H TYR 102 HN TYR 102 -6.763 -4.385 6.768 769 HA TYR 102 HA TYR 102 -8.396 -2.134 6.345 770 HB2 TYR 102 HB2 TYR 102 -6.352 -3.653 4.887 771 HB3 TYR 102 HB3 TYR 102 -7.624 -3.183 3.799 772 HD1 TYR 102 HD2 TYR 102 -8.502 -0.653 4.158 773 HD2 TYR 102 HD1 TYR 102 -4.575 -2.142 5.184 774 HE1 TYR 102 HE2 TYR 102 -7.636 1.668 4.249 775 HE2 TYR 102 HE1 TYR 102 -3.721 0.180 5.281 776 HH TYR 102 HH TYR 102 -5.948 2.862 5.445 777 H LEU 103 HN LEU 103 -8.988 -5.538 5.399 778 HA LEU 103 HA LEU 103 -11.235 -4.980 3.737 779 HB2 LEU 103 HB2 LEU 103 -10.432 -7.390 5.381 780 HB3 LEU 103 HB3 LEU 103 -12.043 -7.269 4.644 781 HG LEU 103 HG LEU 103 -10.613 -8.599 3.253 782 HD11 LEU 103 HD11 LEU 103 -10.786 -7.464 1.075 783 HD12 LEU 103 HD12 LEU 103 -10.977 -5.916 1.904 784 HD13 LEU 103 HD13 LEU 103 -12.224 -7.157 2.074 785 HD21 LEU 103 HD21 LEU 103 -8.644 -7.786 2.061 786 HD22 LEU 103 HD22 LEU 103 -8.408 -7.877 3.797 787 HD23 LEU 103 HD23 LEU 103 -8.664 -6.296 3.020 788 H ALA 104 HN ALA 104 -10.964 -5.052 7.282 789 HA ALA 104 HA ALA 104 -13.832 -5.136 7.677 790 HB1 ALA 104 HB1 ALA 104 -13.335 -4.662 9.981 791 HB2 ALA 104 HB2 ALA 104 -12.205 -5.897 9.383 792 HB3 ALA 104 HB3 ALA 104 -11.649 -4.231 9.602 793 H GLU 105 HN GLU 105 -11.412 -2.449 7.862 794 HA GLU 105 HA GLU 105 -13.181 -0.309 8.286 795 HB2 GLU 105 HB2 GLU 105 -10.491 -0.742 7.049 796 HB3 GLU 105 HB3 GLU 105 -11.286 0.727 6.553 797 HG2 GLU 105 HG2 GLU 105 -11.365 0.205 9.500 798 HG3 GLU 105 HG3 GLU 105 -9.768 0.436 8.810 799 H LEU 106 HN LEU 106 -12.156 -1.650 5.131 800 HA LEU 106 HA LEU 106 -13.978 0.011 3.633 801 HB2 LEU 106 HB2 LEU 106 -11.751 -1.612 3.123 802 HB3 LEU 106 HB3 LEU 106 -13.008 -2.634 2.554 803 HG LEU 106 HG LEU 106 -12.549 -1.654 0.553 804 HD11 LEU 106 HD11 LEU 106 -13.761 0.351 -0.015 805 HD12 LEU 106 HD12 LEU 106 -14.058 0.689 1.692 806 HD13 LEU 106 HD13 LEU 106 -14.757 -0.758 0.925 807 HD21 LEU 106 HD21 LEU 106 -11.256 0.314 0.260 808 HD22 LEU 106 HD22 LEU 106 -10.536 -0.532 1.605 809 HD23 LEU 106 HD23 LEU 106 -11.561 0.877 1.927 810 H ALA 107 HN ALA 107 -14.564 -2.791 5.533 811 HA ALA 107 HA ALA 107 -17.042 -3.522 4.122 812 HB1 ALA 107 HB1 ALA 107 -17.373 -5.091 5.903 813 HB2 ALA 107 HB2 ALA 107 -15.649 -5.178 5.550 814 HB3 ALA 107 HB3 ALA 107 -16.241 -4.295 6.972 815 H SER 108 HN SER 108 -16.251 -2.153 7.352 816 HA SER 108 HA SER 108 -18.960 -1.539 7.742 817 HB2 SER 108 HB2 SER 108 -16.577 -0.712 9.452 818 HB3 SER 108 HB3 SER 108 -18.242 -1.141 9.962 819 HG SER 108 HG SER 108 -17.875 -3.235 9.200 820 H ALA 109 HN ALA 109 -16.293 0.628 6.769 821 HA ALA 109 HA ALA 109 -17.669 3.060 7.451 822 HB1 ALA 109 HB1 ALA 109 -15.460 2.569 5.409 823 HB2 ALA 109 HB2 ALA 109 -16.028 4.146 5.985 824 HB3 ALA 109 HB3 ALA 109 -15.252 3.015 7.110 825 H GLY 110 HN GLY 110 -18.532 0.732 5.110 826 HA2 GLY 110 HA2 GLY 110 -20.254 0.741 3.623 827 HA3 GLY 110 HA1 GLY 110 -20.671 2.378 4.140 828 H LYS 111 HN LYS 111 -17.336 2.005 3.037 829 HA LYS 111 HA LYS 111 -17.995 3.226 0.403 830 HB2 LYS 111 HB2 LYS 111 -15.247 2.399 1.370 831 HB3 LYS 111 HB3 LYS 111 -15.656 3.511 0.091 832 HG2 LYS 111 HG2 LYS 111 -15.947 4.038 3.080 833 HG3 LYS 111 HG3 LYS 111 -14.688 4.665 2.018 834 HD2 LYS 111 HD2 LYS 111 -16.418 5.869 0.674 835 HD3 LYS 111 HD3 LYS 111 -17.656 5.254 1.768 836 HE2 LYS 111 HE2 LYS 111 -17.242 7.331 2.678 837 HE3 LYS 111 HE3 LYS 111 -16.141 6.334 3.663 838 HZ1 LYS 111 HZ1 LYS 111 -14.380 7.098 2.077 839 HZ2 LYS 111 HZ2 LYS 111 -15.097 8.360 2.849 840 HZ3 LYS 111 HZ3 LYS 111 -15.533 8.020 1.328 841 H SER 112 HN SER 112 -16.430 1.924 -1.267 842 HA SER 112 HA SER 112 -16.317 -0.956 -0.687 843 HB2 SER 112 HB2 SER 112 -17.786 0.232 -3.031 844 HB3 SER 112 HB3 SER 112 -17.375 -1.485 -2.878 845 HG SER 112 HG SER 112 -19.283 0.066 -1.491 846 H ARG 113 HN ARG 113 -15.032 -2.090 -2.338 847 HA ARG 113 HA ARG 113 -12.714 -0.552 -3.154 848 HB2 ARG 113 HB2 ARG 113 -13.632 -3.349 -3.897 849 HB3 ARG 113 HB3 ARG 113 -12.021 -2.663 -4.162 850 HG2 ARG 113 HG2 ARG 113 -11.839 -2.459 -1.626 851 HG3 ARG 113 HG3 ARG 113 -13.324 -3.451 -1.516 852 HD2 ARG 113 HD2 ARG 113 -11.766 -4.788 -3.438 853 HD3 ARG 113 HD3 ARG 113 -10.555 -4.199 -2.345 854 HE ARG 113 HE ARG 113 -11.025 -5.858 -1.129 855 HH11 ARG 113 HH11 ARG 113 -14.285 -5.121 -2.542 856 HH12 ARG 113 HH12 ARG 113 -14.747 -6.764 -2.619 857 HH21 ARG 113 HH21 ARG 113 -11.869 -8.091 -1.105 858 HH22 ARG 113 HH22 ARG 113 -13.449 -8.413 -1.727 859 H ASP 114 HN ASP 114 -15.731 -0.783 -4.612 860 HA ASP 114 HA ASP 114 -14.787 -0.823 -7.409 861 HB2 ASP 114 HB2 ASP 114 -17.345 -0.991 -5.970 862 HB3 ASP 114 HB3 ASP 114 -17.349 0.161 -7.323 863 HA PRO 115 HA PRO 115 -13.710 3.375 -7.101 864 HB2 PRO 115 HB2 PRO 115 -13.743 4.188 -9.708 865 HB3 PRO 115 HB3 PRO 115 -12.618 2.929 -9.107 866 HG2 PRO 115 HG2 PRO 115 -15.258 2.503 -10.537 867 HG3 PRO 115 HG3 PRO 115 -13.664 1.741 -10.866 868 HD2 PRO 115 HD2 PRO 115 -15.617 0.560 -9.351 869 HD3 PRO 115 HD3 PRO 115 -13.883 0.326 -9.005 870 H ASP 116 HN ASP 116 -16.843 2.681 -8.574 871 HA ASP 116 HA ASP 116 -17.887 5.186 -7.436 872 HB2 ASP 116 HB2 ASP 116 -17.305 5.701 -9.757 873 HB3 ASP 116 HB3 ASP 116 -18.302 4.354 -10.330 874 H GLU 117 HN GLU 117 -18.086 2.959 -6.122 875 HA GLU 117 HA GLU 117 -20.081 1.140 -6.989 876 HB2 GLU 117 HB2 GLU 117 -18.184 1.016 -5.114 877 HB3 GLU 117 HB3 GLU 117 -19.485 1.488 -4.034 878 HG2 GLU 117 HG2 GLU 117 -19.761 -0.778 -6.049 879 HG3 GLU 117 HG3 GLU 117 -18.971 -1.037 -4.528 880 H SER 118 HN SER 118 -22.114 1.489 -7.179 881 HA SER 118 HA SER 118 -23.372 3.782 -5.807 882 HB2 SER 118 HB2 SER 118 -23.439 2.766 -8.677 883 HB3 SER 118 HB3 SER 118 -24.448 4.080 -8.078 884 HG SER 118 HG SER 118 -21.618 3.966 -8.298 885 H VAL 119 HN VAL 119 -23.551 0.902 -5.039 886 HA VAL 119 HA VAL 119 -26.391 0.321 -5.746 887 HB VAL 119 HB VAL 119 -24.120 -1.596 -5.122 888 HG11 VAL 119 HG11 VAL 119 -25.688 -3.283 -6.056 889 HG12 VAL 119 HG12 VAL 119 -26.321 -2.534 -4.582 890 HG13 VAL 119 HG13 VAL 119 -26.954 -2.045 -6.174 891 HG21 VAL 119 HG21 VAL 119 -24.197 -2.079 -7.560 892 HG22 VAL 119 HG22 VAL 119 -25.343 -0.734 -7.780 893 HG23 VAL 119 HG23 VAL 119 -23.687 -0.417 -7.235 894 H VAL 120 HN VAL 120 -27.591 1.064 -4.158 895 HA VAL 120 HA VAL 120 -26.912 0.891 -1.341 896 HB VAL 120 HB VAL 120 -29.361 1.665 -1.182 897 HG11 VAL 120 HG11 VAL 120 -27.293 3.426 -2.551 898 HG12 VAL 120 HG12 VAL 120 -28.714 3.992 -1.637 899 HG13 VAL 120 HG13 VAL 120 -27.421 3.107 -0.806 900 HG21 VAL 120 HG21 VAL 120 -28.980 2.447 -4.117 901 HG22 VAL 120 HG22 VAL 120 -30.048 1.134 -3.576 902 HG23 VAL 120 HG23 VAL 120 -30.357 2.797 -3.066 903 H LYS 121 HN LYS 121 -26.848 -1.018 -0.498 904 HA LYS 121 HA LYS 121 -29.049 -2.978 -1.037 905 HB2 LYS 121 HB2 LYS 121 -27.479 -4.792 -0.769 906 HB3 LYS 121 HB3 LYS 121 -27.026 -3.746 -2.091 907 HG2 LYS 121 HG2 LYS 121 -24.983 -3.615 -1.308 908 HG3 LYS 121 HG3 LYS 121 -25.539 -2.759 0.108 909 HD2 LYS 121 HD2 LYS 121 -25.838 -4.971 1.280 910 HD3 LYS 121 HD3 LYS 121 -25.352 -5.791 -0.195 911 HE2 LYS 121 HE2 LYS 121 -23.547 -5.727 1.434 912 HE3 LYS 121 HE3 LYS 121 -23.104 -4.892 -0.063 913 HZ1 LYS 121 HZ1 LYS 121 -23.160 -2.855 1.018 914 HZ2 LYS 121 HZ2 LYS 121 -22.516 -3.806 2.132 915 HZ3 LYS 121 HZ3 LYS 121 -24.101 -3.382 2.270 916 H LEU 122 HN LEU 122 -29.775 -1.312 0.738 917 HA LEU 122 HA LEU 122 -30.356 -0.820 2.878 918 HB2 LEU 122 HB2 LEU 122 -30.392 -3.852 3.050 919 HB3 LEU 122 HB3 LEU 122 -30.846 -2.784 4.361 920 HG LEU 122 HG LEU 122 -32.533 -1.687 2.745 921 HD11 LEU 122 HD11 LEU 122 -33.448 -3.228 1.017 922 HD12 LEU 122 HD12 LEU 122 -32.095 -4.343 1.299 923 HD13 LEU 122 HD13 LEU 122 -31.802 -2.728 0.616 924 HD21 LEU 122 HD21 LEU 122 -34.223 -3.417 3.295 925 HD22 LEU 122 HD22 LEU 122 -33.164 -3.077 4.668 926 HD23 LEU 122 HD23 LEU 122 -32.916 -4.554 3.709 927 H MET 123 HN MET 123 -28.599 0.394 3.516 928 HA MET 123 HA MET 123 -26.200 -0.964 4.538 929 HB2 MET 123 HB2 MET 123 -26.361 1.175 3.083 930 HB3 MET 123 HB3 MET 123 -26.722 2.018 4.591 931 HG2 MET 123 HG2 MET 123 -24.307 0.184 4.264 932 HG3 MET 123 HG3 MET 123 -24.268 1.840 3.693 933 HE1 MET 123 HE1 MET 123 -25.301 3.819 5.468 934 HE2 MET 123 HE2 MET 123 -23.991 4.076 6.652 935 HE3 MET 123 HE3 MET 123 -23.606 3.771 4.942 936 H LEU 124 HN LEU 124 -29.056 0.617 5.679 937 HA LEU 124 HA LEU 124 -28.931 -0.284 8.422 938 HB2 LEU 124 HB2 LEU 124 -28.552 2.565 7.599 939 HB3 LEU 124 HB3 LEU 124 -29.990 2.331 8.573 940 HG LEU 124 HG LEU 124 -27.360 1.154 9.506 941 HD11 LEU 124 HD11 LEU 124 -26.906 3.259 10.735 942 HD12 LEU 124 HD12 LEU 124 -28.283 4.032 9.897 943 HD13 LEU 124 HD13 LEU 124 -26.863 3.484 8.989 944 HD21 LEU 124 HD21 LEU 124 -29.527 0.573 10.645 945 HD22 LEU 124 HD22 LEU 124 -29.757 2.285 11.029 946 HD23 LEU 124 HD23 LEU 124 -28.372 1.379 11.710 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 19.128 -6.072 11.734 2 HA2 GLY 1 HA2 GLY 1 17.715 -4.219 12.500 3 HA3 GLY 1 HA1 GLY 1 19.192 -3.382 12.985 4 H MET 2 HN MET 2 17.642 -2.025 11.501 5 HA MET 2 HA MET 2 16.873 -1.093 9.720 6 HB2 MET 2 HB2 MET 2 18.061 -0.235 8.029 7 HB3 MET 2 HB3 MET 2 19.265 -0.405 9.310 8 HG2 MET 2 HG2 MET 2 19.142 -2.819 7.749 9 HG3 MET 2 HG3 MET 2 19.207 -1.478 6.645 10 HE1 MET 2 HE1 MET 2 22.776 0.085 7.599 11 HE2 MET 2 HE2 MET 2 21.344 0.289 6.569 12 HE3 MET 2 HE3 MET 2 21.233 0.565 8.319 13 H ARG 3 HN ARG 3 15.878 -1.363 7.633 14 HA ARG 3 HA ARG 3 15.377 -4.242 6.996 15 HB2 ARG 3 HB2 ARG 3 13.511 -1.874 7.355 16 HB3 ARG 3 HB3 ARG 3 12.966 -3.400 6.710 17 HG2 ARG 3 HG2 ARG 3 14.022 -3.096 9.538 18 HG3 ARG 3 HG3 ARG 3 12.331 -3.076 9.038 19 HD2 ARG 3 HD2 ARG 3 12.428 -5.228 9.585 20 HD3 ARG 3 HD3 ARG 3 12.825 -5.342 7.884 21 HE ARG 3 HE ARG 3 14.956 -5.986 8.378 22 HH11 ARG 3 HH11 ARG 3 13.438 -4.896 11.445 23 HH12 ARG 3 HH12 ARG 3 14.385 -5.957 12.422 24 HH21 ARG 3 HH21 ARG 3 16.332 -7.155 9.687 25 HH22 ARG 3 HH22 ARG 3 16.164 -7.197 11.430 26 H ILE 4 HN ILE 4 17.240 -3.413 5.377 27 HA ILE 4 HA ILE 4 16.058 -1.819 3.162 28 HB ILE 4 HB ILE 4 18.899 -2.717 3.711 29 HG12 ILE 4 HG12 ILE 4 17.754 0.112 3.539 30 HG13 ILE 4 HG13 ILE 4 17.813 -0.765 5.060 31 HG21 ILE 4 HG21 ILE 4 18.500 -2.657 1.250 32 HG22 ILE 4 HG22 ILE 4 17.823 -1.021 1.384 33 HG23 ILE 4 HG23 ILE 4 19.536 -1.336 1.742 34 HD11 ILE 4 HD11 ILE 4 19.729 0.626 4.979 35 HD12 ILE 4 HD12 ILE 4 20.285 -1.046 4.768 36 HD13 ILE 4 HD13 ILE 4 20.198 0.050 3.371 37 HA PRO 5 HA PRO 5 15.433 -5.840 1.176 38 HB2 PRO 5 HB2 PRO 5 14.364 -5.023 -1.206 39 HB3 PRO 5 HB3 PRO 5 13.455 -4.838 0.325 40 HG2 PRO 5 HG2 PRO 5 15.234 -2.810 -1.035 41 HG3 PRO 5 HG3 PRO 5 13.527 -2.583 -0.532 42 HD2 PRO 5 HD2 PRO 5 15.595 -1.753 0.990 43 HD3 PRO 5 HD3 PRO 5 14.181 -2.536 1.764 44 H SER 6 HN SER 6 16.088 -7.093 -0.593 45 HA SER 6 HA SER 6 18.037 -5.911 -2.496 46 HB2 SER 6 HB2 SER 6 18.180 -8.705 -1.305 47 HB3 SER 6 HB3 SER 6 19.308 -7.978 -2.449 48 HG SER 6 HG SER 6 19.673 -6.330 -0.755 49 H ALA 7 HN ALA 7 15.249 -8.029 -1.940 50 HA ALA 7 HA ALA 7 15.179 -8.648 -4.860 51 HB1 ALA 7 HB1 ALA 7 14.754 -10.588 -3.416 52 HB2 ALA 7 HB2 ALA 7 13.437 -9.712 -2.606 53 HB3 ALA 7 HB3 ALA 7 13.306 -10.130 -4.321 54 H ILE 8 HN ILE 8 14.905 -6.439 -5.444 55 HA ILE 8 HA ILE 8 12.214 -5.292 -4.877 56 HB ILE 8 HB ILE 8 14.506 -4.319 -6.646 57 HG12 ILE 8 HG12 ILE 8 15.218 -3.991 -4.391 58 HG13 ILE 8 HG13 ILE 8 14.825 -2.455 -5.145 59 HG21 ILE 8 HG21 ILE 8 11.795 -3.075 -6.043 60 HG22 ILE 8 HG22 ILE 8 13.153 -2.246 -6.856 61 HG23 ILE 8 HG23 ILE 8 12.393 -3.640 -7.603 62 HD11 ILE 8 HD11 ILE 8 13.982 -2.347 -2.933 63 HD12 ILE 8 HD12 ILE 8 12.567 -2.562 -3.972 64 HD13 ILE 8 HD13 ILE 8 13.209 -3.968 -3.085 65 H GLN 9 HN GLN 9 10.604 -6.112 -6.136 66 HA GLN 9 HA GLN 9 11.139 -6.027 -8.982 67 HB2 GLN 9 HB2 GLN 9 9.976 -8.498 -7.626 68 HB3 GLN 9 HB3 GLN 9 9.479 -8.016 -9.243 69 HG2 GLN 9 HG2 GLN 9 11.912 -7.943 -9.874 70 HG3 GLN 9 HG3 GLN 9 12.285 -8.730 -8.328 71 HE21 GLN 9 HE21 GLN 9 12.238 -10.953 -8.327 72 HE22 GLN 9 HE22 GLN 9 11.132 -11.854 -9.321 73 H LEU 10 HN LEU 10 9.542 -4.663 -9.865 74 HA LEU 10 HA LEU 10 7.189 -4.163 -8.163 75 HB2 LEU 10 HB2 LEU 10 7.030 -2.131 -8.994 76 HB3 LEU 10 HB3 LEU 10 8.762 -2.297 -9.116 77 HG LEU 10 HG LEU 10 6.732 -2.579 -11.412 78 HD11 LEU 10 HD11 LEU 10 8.552 -0.360 -10.480 79 HD12 LEU 10 HD12 LEU 10 6.782 -0.331 -10.567 80 HD13 LEU 10 HD13 LEU 10 7.745 -0.350 -12.060 81 HD21 LEU 10 HD21 LEU 10 8.666 -2.407 -12.903 82 HD22 LEU 10 HD22 LEU 10 8.802 -3.864 -11.912 83 HD23 LEU 10 HD23 LEU 10 9.765 -2.420 -11.522 84 H HIS 11 HN HIS 11 8.092 -6.126 -10.761 85 HA HIS 11 HA HIS 11 7.013 -7.109 -12.479 86 HB2 HIS 11 HB2 HIS 11 5.019 -7.309 -10.192 87 HB3 HIS 11 HB3 HIS 11 4.810 -8.151 -11.728 88 HD1 HIS 11 HD1 HIS 11 6.665 -10.035 -12.352 89 HD2 HIS 11 HD2 HIS 11 6.918 -8.311 -8.505 90 HE1 HIS 11 HE1 HIS 11 8.183 -11.520 -10.969 91 H LYS 12 HN LYS 12 7.017 -4.841 -13.632 92 HA LYS 12 HA LYS 12 4.687 -3.252 -13.332 93 HB2 LYS 12 HB2 LYS 12 7.148 -2.817 -14.535 94 HB3 LYS 12 HB3 LYS 12 6.042 -2.827 -15.907 95 HG2 LYS 12 HG2 LYS 12 4.573 -1.207 -14.498 96 HG3 LYS 12 HG3 LYS 12 5.946 -1.087 -13.403 97 HD2 LYS 12 HD2 LYS 12 7.343 -0.396 -15.423 98 HD3 LYS 12 HD3 LYS 12 5.814 -0.293 -16.332 99 HE2 LYS 12 HE2 LYS 12 4.990 1.388 -14.673 100 HE3 LYS 12 HE3 LYS 12 6.571 1.309 -13.864 101 HZ1 LYS 12 HZ1 LYS 12 7.510 1.954 -16.097 102 HZ2 LYS 12 HZ2 LYS 12 6.713 3.111 -15.260 103 HZ3 LYS 12 HZ3 LYS 12 5.981 2.386 -16.541 104 H ALA 13 HN ALA 13 5.066 -6.122 -15.171 105 HA ALA 13 HA ALA 13 2.901 -5.833 -17.026 106 HB1 ALA 13 HB1 ALA 13 4.464 -7.750 -17.039 107 HB2 ALA 13 HB2 ALA 13 3.863 -8.267 -15.447 108 HB3 ALA 13 HB3 ALA 13 2.778 -8.285 -16.854 109 H SER 14 HN SER 14 2.985 -6.969 -13.603 110 HA SER 14 HA SER 14 0.030 -7.171 -13.674 111 HB2 SER 14 HB2 SER 14 2.091 -9.012 -12.403 112 HB3 SER 14 HB3 SER 14 0.340 -9.289 -12.528 113 HG SER 14 HG SER 14 0.600 -9.110 -14.833 114 H LYS 15 HN LYS 15 1.804 -5.015 -12.425 115 HA LYS 15 HA LYS 15 2.129 -3.865 -10.507 116 HB2 LYS 15 HB2 LYS 15 -0.141 -3.338 -9.402 117 HB3 LYS 15 HB3 LYS 15 0.156 -2.765 -11.018 118 HG2 LYS 15 HG2 LYS 15 -1.068 -4.547 -12.048 119 HG3 LYS 15 HG3 LYS 15 -1.452 -5.174 -10.472 120 HD2 LYS 15 HD2 LYS 15 -3.236 -3.843 -10.549 121 HD3 LYS 15 HD3 LYS 15 -2.164 -2.550 -10.118 122 HE2 LYS 15 HE2 LYS 15 -3.075 -1.666 -12.076 123 HE3 LYS 15 HE3 LYS 15 -1.630 -2.554 -12.666 124 HZ1 LYS 15 HZ1 LYS 15 -4.412 -3.545 -12.736 125 HZ2 LYS 15 HZ2 LYS 15 -3.090 -4.388 -13.241 126 HZ3 LYS 15 HZ3 LYS 15 -3.554 -2.995 -14.004 127 H THR 16 HN THR 16 3.533 -5.525 -9.517 128 HA THR 16 HA THR 16 2.334 -6.191 -6.918 129 HB THR 16 HB THR 16 3.928 -8.219 -8.543 130 HG1 THR 16 HG1 THR 16 1.193 -7.660 -8.515 131 HG21 THR 16 HG21 THR 16 2.956 -9.832 -6.974 132 HG22 THR 16 HG22 THR 16 2.211 -8.500 -6.057 133 HG23 THR 16 HG23 THR 16 3.979 -8.642 -6.155 134 H LEU 17 HN LEU 17 3.582 -5.368 -5.385 135 HA LEU 17 HA LEU 17 6.477 -4.918 -5.949 136 HB2 LEU 17 HB2 LEU 17 5.184 -3.112 -4.858 137 HB3 LEU 17 HB3 LEU 17 4.873 -4.180 -3.494 138 HG LEU 17 HG LEU 17 7.118 -4.235 -2.798 139 HD11 LEU 17 HD11 LEU 17 7.988 -2.751 -5.311 140 HD12 LEU 17 HD12 LEU 17 8.391 -4.430 -4.856 141 HD13 LEU 17 HD13 LEU 17 8.999 -3.099 -3.893 142 HD21 LEU 17 HD21 LEU 17 6.576 -1.366 -3.671 143 HD22 LEU 17 HD22 LEU 17 7.640 -1.891 -2.341 144 HD23 LEU 17 HD23 LEU 17 5.897 -2.153 -2.233 145 H THR 18 HN THR 18 7.624 -6.732 -5.775 146 HA THR 18 HA THR 18 6.894 -8.859 -3.886 147 HB THR 18 HB THR 18 9.404 -8.496 -5.551 148 HG1 THR 18 HG1 THR 18 7.021 -9.951 -6.162 149 HG21 THR 18 HG21 THR 18 9.634 -10.193 -3.746 150 HG22 THR 18 HG22 THR 18 9.649 -10.916 -5.354 151 HG23 THR 18 HG23 THR 18 8.181 -11.028 -4.354 152 H LEU 19 HN LEU 19 7.921 -9.114 -1.865 153 HA LEU 19 HA LEU 19 10.352 -7.606 -1.352 154 HB2 LEU 19 HB2 LEU 19 7.860 -7.272 0.345 155 HB3 LEU 19 HB3 LEU 19 9.459 -6.951 0.983 156 HG LEU 19 HG LEU 19 8.163 -5.485 -1.324 157 HD11 LEU 19 HD11 LEU 19 7.287 -4.996 0.941 158 HD12 LEU 19 HD12 LEU 19 8.076 -3.601 0.198 159 HD13 LEU 19 HD13 LEU 19 8.911 -4.534 1.474 160 HD21 LEU 19 HD21 LEU 19 10.887 -4.998 -0.013 161 HD22 LEU 19 HD22 LEU 19 10.081 -3.905 -1.160 162 HD23 LEU 19 HD23 LEU 19 10.596 -5.472 -1.716 163 H ARG 20 HN ARG 20 11.766 -8.700 -0.054 164 HA ARG 20 HA ARG 20 10.874 -11.371 0.964 165 HB2 ARG 20 HB2 ARG 20 12.447 -11.416 -0.881 166 HB3 ARG 20 HB3 ARG 20 13.568 -10.351 -0.021 167 HG2 ARG 20 HG2 ARG 20 14.082 -12.061 1.599 168 HG3 ARG 20 HG3 ARG 20 12.737 -13.070 1.020 169 HD2 ARG 20 HD2 ARG 20 14.781 -12.428 -1.020 170 HD3 ARG 20 HD3 ARG 20 15.247 -13.519 0.309 171 HE ARG 20 HE ARG 20 12.665 -13.964 -1.065 172 HH11 ARG 20 HH11 ARG 20 15.916 -15.240 -0.283 173 HH12 ARG 20 HH12 ARG 20 15.504 -16.839 -0.828 174 HH21 ARG 20 HH21 ARG 20 12.289 -15.967 -1.946 175 HH22 ARG 20 HH22 ARG 20 13.344 -17.319 -1.687 176 H TYR 21 HN TYR 21 10.214 -10.911 3.118 177 HA TYR 21 HA TYR 21 11.577 -8.881 4.740 178 HB2 TYR 21 HB2 TYR 21 9.083 -9.181 4.686 179 HB3 TYR 21 HB3 TYR 21 9.299 -10.823 5.232 180 HD1 TYR 21 HD2 TYR 21 9.993 -7.331 6.248 181 HD2 TYR 21 HD1 TYR 21 9.100 -11.307 7.564 182 HE1 TYR 21 HE2 TYR 21 9.801 -6.471 8.561 183 HE2 TYR 21 HE1 TYR 21 8.892 -10.494 9.884 184 HH TYR 21 HH TYR 21 8.477 -8.407 11.171 185 H GLY 22 HN GLY 22 12.543 -11.680 4.030 186 HA2 GLY 22 HA2 GLY 22 14.267 -12.141 6.294 187 HA3 GLY 22 HA1 GLY 22 12.657 -12.844 6.509 188 H GLU 23 HN GLU 23 12.463 -14.997 5.792 189 HA GLU 23 HA GLU 23 14.081 -15.778 3.463 190 HB2 GLU 23 HB2 GLU 23 14.488 -17.763 4.344 191 HB3 GLU 23 HB3 GLU 23 14.258 -16.876 5.819 192 HG2 GLU 23 HG2 GLU 23 12.774 -18.477 6.340 193 HG3 GLU 23 HG3 GLU 23 11.714 -17.476 5.330 194 H ASP 24 HN ASP 24 10.897 -15.016 4.530 195 HA ASP 24 HA ASP 24 9.539 -16.650 2.434 196 HB2 ASP 24 HB2 ASP 24 8.507 -14.826 4.605 197 HB3 ASP 24 HB3 ASP 24 7.509 -15.557 3.398 198 H SER 25 HN SER 25 9.435 -15.736 0.507 199 HA SER 25 HA SER 25 9.566 -12.868 -0.010 200 HB2 SER 25 HB2 SER 25 8.662 -14.872 -2.051 201 HB3 SER 25 HB3 SER 25 9.693 -13.450 -2.241 202 HG SER 25 HG SER 25 10.344 -15.946 -1.058 203 H TYR 26 HN TYR 26 7.848 -11.533 -0.202 204 HA TYR 26 HA TYR 26 5.061 -12.546 -0.277 205 HB2 TYR 26 HB2 TYR 26 6.223 -9.888 0.661 206 HB3 TYR 26 HB3 TYR 26 4.574 -10.421 0.878 207 HD1 TYR 26 HD1 TYR 26 5.466 -13.366 1.775 208 HD2 TYR 26 HD2 TYR 26 6.617 -9.400 2.941 209 HE1 TYR 26 HE1 TYR 26 5.970 -14.185 4.050 210 HE2 TYR 26 HE2 TYR 26 7.104 -10.194 5.226 211 HH TYR 26 HH TYR 26 6.229 -13.358 6.298 212 H ASP 27 HN ASP 27 3.588 -11.342 -1.661 213 HA ASP 27 HA ASP 27 4.830 -9.584 -3.712 214 HB2 ASP 27 HB2 ASP 27 3.516 -12.268 -3.931 215 HB3 ASP 27 HB3 ASP 27 3.162 -11.131 -5.202 216 H LEU 28 HN LEU 28 3.885 -7.861 -2.599 217 HA LEU 28 HA LEU 28 1.060 -7.910 -2.077 218 HB2 LEU 28 HB2 LEU 28 3.197 -5.740 -1.814 219 HB3 LEU 28 HB3 LEU 28 1.540 -5.608 -1.229 220 HG LEU 28 HG LEU 28 2.180 -8.015 -0.155 221 HD11 LEU 28 HD11 LEU 28 4.482 -8.161 -0.814 222 HD12 LEU 28 HD12 LEU 28 4.321 -8.017 0.932 223 HD13 LEU 28 HD13 LEU 28 4.839 -6.612 -0.021 224 HD21 LEU 28 HD21 LEU 28 2.483 -6.829 1.976 225 HD22 LEU 28 HD22 LEU 28 1.279 -5.981 1.015 226 HD23 LEU 28 HD23 LEU 28 2.929 -5.333 1.119 227 HA PRO 29 HA PRO 29 -0.191 -5.983 -5.843 228 HB2 PRO 29 HB2 PRO 29 -2.818 -5.224 -5.235 229 HB3 PRO 29 HB3 PRO 29 -2.336 -6.909 -5.503 230 HG2 PRO 29 HG2 PRO 29 -2.742 -5.461 -2.927 231 HG3 PRO 29 HG3 PRO 29 -3.183 -7.144 -3.335 232 HD2 PRO 29 HD2 PRO 29 -0.940 -6.516 -1.860 233 HD3 PRO 29 HD3 PRO 29 -1.073 -7.931 -2.944 234 H ALA 30 HN ALA 30 -0.891 -3.940 -6.806 235 HA ALA 30 HA ALA 30 0.509 -1.844 -5.498 236 HB1 ALA 30 HB1 ALA 30 -1.212 -1.871 -7.994 237 HB2 ALA 30 HB2 ALA 30 -0.338 -0.431 -7.432 238 HB3 ALA 30 HB3 ALA 30 0.586 -1.891 -7.856 239 H GLU 31 HN GLU 31 -3.053 -2.418 -6.080 240 HA GLU 31 HA GLU 31 -4.124 -0.060 -5.030 241 HB2 GLU 31 HB2 GLU 31 -5.621 -1.624 -6.014 242 HB3 GLU 31 HB3 GLU 31 -5.097 -2.926 -4.952 243 HG2 GLU 31 HG2 GLU 31 -7.269 -2.275 -4.236 244 HG3 GLU 31 HG3 GLU 31 -6.176 -1.770 -2.999 245 H PHE 32 HN PHE 32 -3.115 -3.080 -3.208 246 HA PHE 32 HA PHE 32 -3.965 -2.227 -0.643 247 HB2 PHE 32 HB2 PHE 32 -3.293 -4.486 -0.969 248 HB3 PHE 32 HB3 PHE 32 -1.716 -4.011 -1.608 249 HD1 PHE 32 HD1 PHE 32 -3.761 -4.260 1.502 250 HD2 PHE 32 HD2 PHE 32 0.150 -3.564 -0.194 251 HE1 PHE 32 HE1 PHE 32 -2.809 -4.412 3.686 252 HE2 PHE 32 HE2 PHE 32 1.132 -3.639 2.088 253 HZ PHE 32 HZ PHE 32 -0.319 -4.065 4.021 254 H LEU 33 HN LEU 33 -0.881 -1.743 -2.360 255 HA LEU 33 HA LEU 33 0.346 -0.475 -0.154 256 HB2 LEU 33 HB2 LEU 33 1.094 -0.292 -3.081 257 HB3 LEU 33 HB3 LEU 33 2.150 0.161 -1.750 258 HG LEU 33 HG LEU 33 1.034 -2.651 -2.037 259 HD11 LEU 33 HD11 LEU 33 2.302 -1.889 -4.076 260 HD12 LEU 33 HD12 LEU 33 2.912 -3.333 -3.240 261 HD13 LEU 33 HD13 LEU 33 3.726 -1.752 -3.034 262 HD21 LEU 33 HD21 LEU 33 3.525 -1.699 -0.622 263 HD22 LEU 33 HD22 LEU 33 2.869 -3.343 -0.669 264 HD23 LEU 33 HD23 LEU 33 1.976 -2.083 0.172 265 H ARG 34 HN ARG 34 -1.557 0.782 -2.879 266 HA ARG 34 HA ARG 34 -0.976 3.530 -2.345 267 HB2 ARG 34 HB2 ARG 34 -1.960 2.987 -4.483 268 HB3 ARG 34 HB3 ARG 34 -3.344 2.196 -3.730 269 HG2 ARG 34 HG2 ARG 34 -3.947 4.417 -4.606 270 HG3 ARG 34 HG3 ARG 34 -4.185 4.297 -2.867 271 HD2 ARG 34 HD2 ARG 34 -1.713 5.372 -2.831 272 HD3 ARG 34 HD3 ARG 34 -2.175 5.911 -4.435 273 HE ARG 34 HE ARG 34 -4.334 6.659 -2.985 274 HH11 ARG 34 HH11 ARG 34 -0.923 7.363 -2.782 275 HH12 ARG 34 HH12 ARG 34 -1.024 8.621 -1.595 276 HH21 ARG 34 HH21 ARG 34 -4.583 8.349 -1.377 277 HH22 ARG 34 HH22 ARG 34 -3.202 9.024 -0.610 278 H VAL 35 HN VAL 35 -3.773 1.438 -1.250 279 HA VAL 35 HA VAL 35 -4.877 3.659 0.159 280 HB VAL 35 HB VAL 35 -6.402 2.139 1.194 281 HG11 VAL 35 HG11 VAL 35 -7.486 1.380 -0.875 282 HG12 VAL 35 HG12 VAL 35 -6.723 2.964 -1.131 283 HG13 VAL 35 HG13 VAL 35 -5.950 1.499 -1.761 284 HG21 VAL 35 HG21 VAL 35 -4.907 -0.159 -0.117 285 HG22 VAL 35 HG22 VAL 35 -4.975 0.163 1.633 286 HG23 VAL 35 HG23 VAL 35 -6.455 -0.252 0.754 287 H HIS 36 HN HIS 36 -2.549 1.165 1.350 288 HA HIS 36 HA HIS 36 -2.647 2.360 4.008 289 HB2 HIS 36 HB2 HIS 36 -1.081 0.862 4.722 290 HB3 HIS 36 HB3 HIS 36 -2.049 -0.053 3.583 291 HD1 HIS 36 HD1 HIS 36 0.330 1.706 1.397 292 HD2 HIS 36 HD2 HIS 36 0.301 -1.539 4.098 293 HE1 HIS 36 HE1 HIS 36 2.408 0.390 0.928 294 H SER 37 HN SER 37 -1.554 3.832 1.246 295 HA SER 37 HA SER 37 1.132 4.394 1.938 296 HB2 SER 37 HB2 SER 37 0.157 4.588 -0.352 297 HB3 SER 37 HB3 SER 37 -0.765 6.000 0.175 298 HG SER 37 HG SER 37 1.186 7.052 0.599 299 HA PRO 38 HA PRO 38 0.427 7.904 4.726 300 HB2 PRO 38 HB2 PRO 38 2.869 9.080 4.621 301 HB3 PRO 38 HB3 PRO 38 2.581 7.536 5.493 302 HG2 PRO 38 HG2 PRO 38 3.647 7.924 2.670 303 HG3 PRO 38 HG3 PRO 38 4.368 6.930 3.981 304 HD2 PRO 38 HD2 PRO 38 2.781 5.813 2.122 305 HD3 PRO 38 HD3 PRO 38 2.621 5.342 3.840 306 H SER 39 HN SER 39 0.343 10.244 4.533 307 HA SER 39 HA SER 39 -0.085 11.274 1.880 308 HB2 SER 39 HB2 SER 39 -0.786 12.037 4.692 309 HB3 SER 39 HB3 SER 39 -1.408 12.740 3.221 310 HG SER 39 HG SER 39 -1.950 10.340 2.786 311 H ALA 40 HN ALA 40 2.162 11.573 1.345 312 HA ALA 40 HA ALA 40 4.068 12.898 3.073 313 HB1 ALA 40 HB1 ALA 40 4.147 12.332 0.078 314 HB2 ALA 40 HB2 ALA 40 5.536 12.689 1.130 315 HB3 ALA 40 HB3 ALA 40 4.636 11.167 1.332 316 H GLU 41 HN GLU 41 1.707 13.942 0.777 317 HA GLU 41 HA GLU 41 3.075 16.427 0.174 318 HB2 GLU 41 HB2 GLU 41 0.289 15.464 -0.544 319 HB3 GLU 41 HB3 GLU 41 1.109 16.808 -1.323 320 HG2 GLU 41 HG2 GLU 41 2.670 14.255 -1.383 321 HG3 GLU 41 HG3 GLU 41 1.119 14.192 -2.179 322 H VAL 42 HN VAL 42 1.816 15.749 2.751 323 HA VAL 42 HA VAL 42 -0.260 17.771 3.152 324 HB VAL 42 HB VAL 42 0.955 15.753 5.075 325 HG11 VAL 42 HG11 VAL 42 -1.080 16.125 6.456 326 HG12 VAL 42 HG12 VAL 42 -0.057 17.560 6.394 327 HG13 VAL 42 HG13 VAL 42 -1.526 17.503 5.408 328 HG21 VAL 42 HG21 VAL 42 -0.324 14.838 3.103 329 HG22 VAL 42 HG22 VAL 42 -1.125 14.528 4.642 330 HG23 VAL 42 HG23 VAL 42 -1.708 15.828 3.565 331 H GLN 43 HN GLN 43 3.165 17.862 3.579 332 HA GLN 43 HA GLN 43 4.530 19.516 4.234 333 HB2 GLN 43 HB2 GLN 43 2.201 21.345 4.807 334 HB3 GLN 43 HB3 GLN 43 3.837 21.758 4.369 335 HG2 GLN 43 HG2 GLN 43 3.527 21.061 2.077 336 HG3 GLN 43 HG3 GLN 43 1.954 20.329 2.441 337 HE21 GLN 43 HE21 GLN 43 0.364 21.880 3.620 338 HE22 GLN 43 HE22 GLN 43 0.212 23.458 2.884 339 H GLY 44 HN GLY 44 4.041 17.572 6.043 340 HA2 GLY 44 HA2 GLY 44 5.131 17.771 8.194 341 HA3 GLY 44 HA1 GLY 44 3.878 18.896 8.715 342 H HIS 45 HN HIS 45 1.533 17.939 8.535 343 HA HIS 45 HA HIS 45 1.143 15.137 9.024 344 HB2 HIS 45 HB2 HIS 45 0.466 15.496 11.449 345 HB3 HIS 45 HB3 HIS 45 2.183 15.444 11.121 346 HD1 HIS 45 HD1 HIS 45 2.155 16.607 13.632 347 HD2 HIS 45 HD2 HIS 45 0.962 18.964 10.349 348 HE1 HIS 45 HE1 HIS 45 2.419 19.033 14.350 349 H GLY 46 HN GLY 46 -1.173 14.762 9.605 350 HA2 GLY 46 HA2 GLY 46 -3.041 16.987 9.381 351 HA3 GLY 46 HA1 GLY 46 -2.921 15.986 7.931 352 H ASN 47 HN ASN 47 -4.540 14.467 7.864 353 HA ASN 47 HA ASN 47 -5.348 13.110 10.377 354 HB2 ASN 47 HB2 ASN 47 -7.212 14.400 8.348 355 HB3 ASN 47 HB3 ASN 47 -7.705 13.371 9.683 356 HD21 ASN 47 HD21 ASN 47 -7.628 16.544 8.834 357 HD22 ASN 47 HD22 ASN 47 -7.660 17.206 10.462 358 HA PRO 48 HA PRO 48 -5.398 9.662 7.521 359 HB2 PRO 48 HB2 PRO 48 -7.028 7.891 8.707 360 HB3 PRO 48 HB3 PRO 48 -5.390 8.267 9.349 361 HG2 PRO 48 HG2 PRO 48 -8.065 9.298 10.323 362 HG3 PRO 48 HG3 PRO 48 -6.659 8.788 11.291 363 HD2 PRO 48 HD2 PRO 48 -7.212 11.422 10.715 364 HD3 PRO 48 HD3 PRO 48 -5.555 10.808 10.948 365 H VAL 49 HN VAL 49 -6.380 10.236 5.683 366 HA VAL 49 HA VAL 49 -9.337 10.539 5.544 367 HB VAL 49 HB VAL 49 -7.246 10.885 3.369 368 HG11 VAL 49 HG11 VAL 49 -10.195 11.630 3.438 369 HG12 VAL 49 HG12 VAL 49 -9.055 12.078 2.157 370 HG13 VAL 49 HG13 VAL 49 -9.435 10.384 2.428 371 HG21 VAL 49 HG21 VAL 49 -6.890 12.636 5.026 372 HG22 VAL 49 HG22 VAL 49 -7.780 13.351 3.671 373 HG23 VAL 49 HG23 VAL 49 -8.634 12.922 5.174 374 H LEU 50 HN LEU 50 -10.533 8.927 4.666 375 HA LEU 50 HA LEU 50 -9.225 6.342 4.238 376 HB2 LEU 50 HB2 LEU 50 -11.358 6.513 5.481 377 HB3 LEU 50 HB3 LEU 50 -12.168 7.202 4.069 378 HG LEU 50 HG LEU 50 -11.773 5.101 2.802 379 HD11 LEU 50 HD11 LEU 50 -10.532 4.142 5.418 380 HD12 LEU 50 HD12 LEU 50 -9.767 4.160 3.827 381 HD13 LEU 50 HD13 LEU 50 -11.099 3.044 4.148 382 HD21 LEU 50 HD21 LEU 50 -13.416 3.819 4.086 383 HD22 LEU 50 HD22 LEU 50 -13.815 5.540 4.074 384 HD23 LEU 50 HD23 LEU 50 -13.094 4.796 5.525 385 H GLN 51 HN GLN 51 -8.861 5.386 2.329 386 HA GLN 51 HA GLN 51 -9.233 6.985 -0.133 387 HB2 GLN 51 HB2 GLN 51 -7.122 5.006 0.844 388 HB3 GLN 51 HB3 GLN 51 -7.149 5.676 -0.783 389 HG2 GLN 51 HG2 GLN 51 -6.973 7.369 1.741 390 HG3 GLN 51 HG3 GLN 51 -5.618 6.896 0.756 391 HE21 GLN 51 HE21 GLN 51 -8.179 9.204 1.099 392 HE22 GLN 51 HE22 GLN 51 -7.940 10.011 -0.445 393 H TYR 52 HN TYR 52 -10.763 6.246 -1.451 394 HA TYR 52 HA TYR 52 -11.240 3.373 -1.780 395 HB2 TYR 52 HB2 TYR 52 -13.632 3.685 -1.502 396 HB3 TYR 52 HB3 TYR 52 -12.806 4.091 -0.042 397 HD1 TYR 52 HD1 TYR 52 -14.800 5.437 -2.839 398 HD2 TYR 52 HD2 TYR 52 -12.718 6.391 0.826 399 HE1 TYR 52 HE1 TYR 52 -15.883 7.636 -2.805 400 HE2 TYR 52 HE2 TYR 52 -13.842 8.588 0.891 401 HH TYR 52 HH TYR 52 -15.824 9.752 -1.832 402 H GLY 53 HN GLY 53 -13.225 3.342 -3.484 403 HA2 GLY 53 HA2 GLY 53 -13.701 3.449 -5.735 404 HA3 GLY 53 HA1 GLY 53 -13.635 5.192 -5.464 405 H LYS 54 HN LYS 54 -11.091 2.663 -5.483 406 HA LYS 54 HA LYS 54 -9.846 3.786 -7.918 407 HB2 LYS 54 HB2 LYS 54 -8.639 3.807 -5.158 408 HB3 LYS 54 HB3 LYS 54 -7.580 3.682 -6.546 409 HG2 LYS 54 HG2 LYS 54 -9.524 5.980 -6.130 410 HG3 LYS 54 HG3 LYS 54 -7.842 5.989 -5.654 411 HD2 LYS 54 HD2 LYS 54 -7.011 6.117 -7.788 412 HD3 LYS 54 HD3 LYS 54 -8.358 5.270 -8.528 413 HE2 LYS 54 HE2 LYS 54 -8.573 8.087 -7.415 414 HE3 LYS 54 HE3 LYS 54 -8.196 7.715 -9.109 415 HZ1 LYS 54 HZ1 LYS 54 -10.303 6.579 -9.291 416 HZ2 LYS 54 HZ2 LYS 54 -10.574 8.115 -8.731 417 HZ3 LYS 54 HZ3 LYS 54 -10.643 6.826 -7.718 418 H LEU 55 HN LEU 55 -10.851 0.972 -6.438 419 HA LEU 55 HA LEU 55 -8.795 -0.655 -6.031 420 HB2 LEU 55 HB2 LEU 55 -11.555 -1.102 -6.565 421 HB3 LEU 55 HB3 LEU 55 -10.726 -2.215 -7.604 422 HG LEU 55 HG LEU 55 -10.169 -1.959 -4.632 423 HD11 LEU 55 HD11 LEU 55 -11.780 -4.099 -6.024 424 HD12 LEU 55 HD12 LEU 55 -12.536 -2.721 -5.277 425 HD13 LEU 55 HD13 LEU 55 -11.610 -3.867 -4.273 426 HD21 LEU 55 HD21 LEU 55 -9.487 -4.358 -6.326 427 HD22 LEU 55 HD22 LEU 55 -9.106 -4.028 -4.602 428 HD23 LEU 55 HD23 LEU 55 -8.336 -3.103 -5.901 429 H ASN 56 HN ASN 56 -9.656 0.232 -9.284 430 HA ASN 56 HA ASN 56 -8.237 -1.998 -10.529 431 HB2 ASN 56 HB2 ASN 56 -9.614 0.462 -11.695 432 HB3 ASN 56 HB3 ASN 56 -8.808 -0.767 -12.662 433 HD21 ASN 56 HD21 ASN 56 -11.536 -0.364 -10.273 434 HD22 ASN 56 HD22 ASN 56 -12.283 -1.873 -10.756 435 H VAL 57 HN VAL 57 -7.096 0.766 -9.042 436 HA VAL 57 HA VAL 57 -5.270 1.983 -10.768 437 HB VAL 57 HB VAL 57 -6.064 2.794 -8.540 438 HG11 VAL 57 HG11 VAL 57 -4.120 0.835 -7.305 439 HG12 VAL 57 HG12 VAL 57 -5.048 2.110 -6.484 440 HG13 VAL 57 HG13 VAL 57 -5.899 0.757 -7.227 441 HG21 VAL 57 HG21 VAL 57 -3.043 2.795 -8.517 442 HG22 VAL 57 HG22 VAL 57 -4.035 3.770 -9.632 443 HG23 VAL 57 HG23 VAL 57 -4.175 4.003 -7.888 444 H GLY 58 HN GLY 58 -2.877 1.996 -10.613 445 HA2 GLY 58 HA2 GLY 58 -1.748 -0.438 -9.660 446 HA3 GLY 58 HA1 GLY 58 -1.577 -0.283 -11.408 447 H LEU 59 HN LEU 59 0.716 -0.337 -10.842 448 HA LEU 59 HA LEU 59 1.832 2.050 -9.511 449 HB2 LEU 59 HB2 LEU 59 2.384 -0.798 -9.471 450 HB3 LEU 59 HB3 LEU 59 3.741 -0.024 -10.243 451 HG LEU 59 HG LEU 59 3.987 -0.348 -7.831 452 HD11 LEU 59 HD11 LEU 59 4.827 1.941 -7.355 453 HD12 LEU 59 HD12 LEU 59 4.010 2.492 -8.813 454 HD13 LEU 59 HD13 LEU 59 5.313 1.307 -8.942 455 HD21 LEU 59 HD21 LEU 59 1.639 1.551 -7.531 456 HD22 LEU 59 HD22 LEU 59 2.813 1.250 -6.259 457 HD23 LEU 59 HD23 LEU 59 1.860 -0.092 -6.898 458 H VAL 60 HN VAL 60 3.323 3.298 -10.464 459 HA VAL 60 HA VAL 60 3.713 3.005 -13.393 460 HB VAL 60 HB VAL 60 3.749 5.600 -13.159 461 HG11 VAL 60 HG11 VAL 60 2.088 4.350 -14.539 462 HG12 VAL 60 HG12 VAL 60 1.208 3.884 -13.070 463 HG13 VAL 60 HG13 VAL 60 1.224 5.569 -13.604 464 HG21 VAL 60 HG21 VAL 60 3.463 5.869 -10.834 465 HG22 VAL 60 HG22 VAL 60 2.004 6.465 -11.640 466 HG23 VAL 60 HG23 VAL 60 1.945 4.893 -10.837 467 H GLY 61 HN GLY 61 5.147 3.967 -10.316 468 HA2 GLY 61 HA2 GLY 61 7.656 2.992 -11.319 469 HA3 GLY 61 HA1 GLY 61 7.700 4.756 -11.216 470 H VAL 62 HN VAL 62 9.406 3.131 -9.818 471 HA VAL 62 HA VAL 62 8.941 3.968 -7.067 472 HB VAL 62 HB VAL 62 9.860 1.123 -7.673 473 HG11 VAL 62 HG11 VAL 62 10.563 2.079 -5.563 474 HG12 VAL 62 HG12 VAL 62 8.904 2.491 -5.144 475 HG13 VAL 62 HG13 VAL 62 9.391 0.786 -5.270 476 HG21 VAL 62 HG21 VAL 62 7.051 1.936 -6.991 477 HG22 VAL 62 HG22 VAL 62 7.604 1.025 -8.413 478 HG23 VAL 62 HG23 VAL 62 7.692 0.291 -6.810 479 H GLU 63 HN GLU 63 10.936 4.934 -6.473 480 HA GLU 63 HA GLU 63 13.388 3.785 -7.516 481 HB2 GLU 63 HB2 GLU 63 12.781 6.749 -7.916 482 HB3 GLU 63 HB3 GLU 63 14.344 5.998 -8.121 483 HG2 GLU 63 HG2 GLU 63 13.238 4.459 -9.860 484 HG3 GLU 63 HG3 GLU 63 11.880 5.596 -9.839 485 HA PRO 64 HA PRO 64 14.500 4.639 -3.357 486 HB2 PRO 64 HB2 PRO 64 17.170 5.480 -3.602 487 HB3 PRO 64 HB3 PRO 64 16.621 3.789 -3.614 488 HG2 PRO 64 HG2 PRO 64 17.146 5.598 -5.982 489 HG3 PRO 64 HG3 PRO 64 17.697 3.921 -5.738 490 HD2 PRO 64 HD2 PRO 64 15.519 4.415 -7.244 491 HD3 PRO 64 HD3 PRO 64 15.448 3.068 -6.051 492 H ALA 65 HN ALA 65 14.652 6.345 -1.902 493 HA ALA 65 HA ALA 65 15.205 9.033 -3.041 494 HB1 ALA 65 HB1 ALA 65 13.350 8.450 -0.671 495 HB2 ALA 65 HB2 ALA 65 13.752 10.045 -1.343 496 HB3 ALA 65 HB3 ALA 65 12.806 8.905 -2.305 497 H GLY 66 HN GLY 66 16.809 6.892 -2.092 498 HA2 GLY 66 HA2 GLY 66 19.084 7.355 -1.370 499 HA3 GLY 66 HA1 GLY 66 18.440 8.371 -0.066 500 H GLN 67 HN GLN 67 18.727 7.416 1.883 501 HA GLN 67 HA GLN 67 19.483 4.546 1.723 502 HB2 GLN 67 HB2 GLN 67 20.487 6.756 3.568 503 HB3 GLN 67 HB3 GLN 67 21.122 5.111 3.440 504 HG2 GLN 67 HG2 GLN 67 21.664 5.557 1.037 505 HG3 GLN 67 HG3 GLN 67 21.120 7.226 1.232 506 HE21 GLN 67 HE21 GLN 67 22.521 8.776 2.139 507 HE22 GLN 67 HE22 GLN 67 24.140 8.397 2.593 508 H TYR 68 HN TYR 68 16.871 6.235 2.846 509 HA TYR 68 HA TYR 68 16.437 4.397 5.168 510 HB2 TYR 68 HB2 TYR 68 15.609 6.438 6.397 511 HB3 TYR 68 HB3 TYR 68 17.312 6.154 6.309 512 HD1 TYR 68 HD1 TYR 68 18.698 7.500 4.657 513 HD2 TYR 68 HD2 TYR 68 14.632 8.515 5.665 514 HE1 TYR 68 HE1 TYR 68 19.048 9.729 3.675 515 HE2 TYR 68 HE2 TYR 68 15.042 10.855 4.912 516 HH TYR 68 HH TYR 68 16.864 12.408 4.302 517 H ALA 69 HN ALA 69 15.067 6.272 2.556 518 HA ALA 69 HA ALA 69 12.394 5.203 3.134 519 HB1 ALA 69 HB1 ALA 69 12.977 8.152 2.529 520 HB2 ALA 69 HB2 ALA 69 11.386 7.415 2.818 521 HB3 ALA 69 HB3 ALA 69 12.569 7.521 4.132 522 H LEU 70 HN LEU 70 11.059 5.306 1.231 523 HA LEU 70 HA LEU 70 12.564 5.134 -1.339 524 HB2 LEU 70 HB2 LEU 70 11.886 3.000 -0.232 525 HB3 LEU 70 HB3 LEU 70 10.213 3.570 -0.204 526 HG LEU 70 HG LEU 70 9.970 3.369 -2.551 527 HD11 LEU 70 HD11 LEU 70 11.876 2.638 -3.997 528 HD12 LEU 70 HD12 LEU 70 12.976 2.890 -2.617 529 HD13 LEU 70 HD13 LEU 70 12.042 4.241 -3.322 530 HD21 LEU 70 HD21 LEU 70 11.613 0.982 -1.640 531 HD22 LEU 70 HD22 LEU 70 10.490 1.022 -3.009 532 HD23 LEU 70 HD23 LEU 70 9.864 1.205 -1.355 533 H LYS 71 HN LYS 71 11.689 6.217 -3.114 534 HA LYS 71 HA LYS 71 9.316 7.900 -2.731 535 HB2 LYS 71 HB2 LYS 71 11.578 8.285 -4.249 536 HB3 LYS 71 HB3 LYS 71 10.609 7.404 -5.409 537 HG2 LYS 71 HG2 LYS 71 9.991 9.630 -5.878 538 HG3 LYS 71 HG3 LYS 71 8.708 9.157 -4.747 539 HD2 LYS 71 HD2 LYS 71 10.471 9.987 -2.937 540 HD3 LYS 71 HD3 LYS 71 11.170 10.878 -4.266 541 HE2 LYS 71 HE2 LYS 71 8.212 11.096 -3.499 542 HE3 LYS 71 HE3 LYS 71 9.476 12.081 -2.760 543 HZ1 LYS 71 HZ1 LYS 71 10.041 12.902 -4.979 544 HZ2 LYS 71 HZ2 LYS 71 8.537 13.314 -4.479 545 HZ3 LYS 71 HZ3 LYS 71 8.736 12.151 -5.616 546 H LEU 72 HN LEU 72 7.354 7.430 -3.959 547 HA LEU 72 HA LEU 72 7.227 4.942 -5.454 548 HB2 LEU 72 HB2 LEU 72 5.981 5.338 -2.765 549 HB3 LEU 72 HB3 LEU 72 4.831 4.845 -4.001 550 HG LEU 72 HG LEU 72 7.480 3.416 -3.908 551 HD11 LEU 72 HD11 LEU 72 6.756 1.763 -2.317 552 HD12 LEU 72 HD12 LEU 72 5.329 2.771 -1.910 553 HD13 LEU 72 HD13 LEU 72 7.009 3.354 -1.602 554 HD21 LEU 72 HD21 LEU 72 4.662 2.350 -4.333 555 HD22 LEU 72 HD22 LEU 72 6.226 1.568 -4.746 556 HD23 LEU 72 HD23 LEU 72 5.684 3.012 -5.622 557 H SER 73 HN SER 73 5.201 4.940 -6.762 558 HA SER 73 HA SER 73 3.947 7.562 -7.177 559 HB2 SER 73 HB2 SER 73 5.503 6.108 -9.374 560 HB3 SER 73 HB3 SER 73 4.641 7.630 -9.518 561 HG SER 73 HG SER 73 6.198 8.031 -7.507 562 H PHE 74 HN PHE 74 1.901 6.798 -6.900 563 HA PHE 74 HA PHE 74 1.104 4.190 -8.091 564 HB2 PHE 74 HB2 PHE 74 -0.443 6.115 -6.289 565 HB3 PHE 74 HB3 PHE 74 -0.931 4.489 -6.744 566 HD1 PHE 74 HD1 PHE 74 0.410 2.497 -5.871 567 HD2 PHE 74 HD2 PHE 74 1.048 6.509 -4.406 568 HE1 PHE 74 HE1 PHE 74 1.645 1.608 -3.941 569 HE2 PHE 74 HE2 PHE 74 2.216 5.590 -2.432 570 HZ PHE 74 HZ PHE 74 2.525 3.135 -2.190 571 H ASP 75 HN ASP 75 -0.735 4.206 -9.505 572 HA ASP 75 HA ASP 75 -0.926 6.585 -11.170 573 HB2 ASP 75 HB2 ASP 75 -0.732 4.266 -12.080 574 HB3 ASP 75 HB3 ASP 75 -2.351 3.943 -11.467 575 H ASP 76 HN ASP 76 -1.764 6.965 -8.611 576 HA ASP 76 HA ASP 76 -4.731 7.100 -8.602 577 HB2 ASP 76 HB2 ASP 76 -4.725 6.632 -6.410 578 HB3 ASP 76 HB3 ASP 76 -3.101 6.031 -6.660 579 H GLY 77 HN GLY 77 -1.858 9.045 -8.874 580 HA2 GLY 77 HA2 GLY 77 -1.757 11.288 -9.433 581 HA3 GLY 77 HA1 GLY 77 -3.496 11.434 -9.148 582 H HIS 78 HN HIS 78 -2.227 10.074 -6.384 583 HA HIS 78 HA HIS 78 -1.599 12.712 -5.150 584 HB2 HIS 78 HB2 HIS 78 -3.439 11.391 -4.079 585 HB3 HIS 78 HB3 HIS 78 -2.252 10.140 -3.703 586 HD1 HIS 78 HD1 HIS 78 -3.334 10.953 -1.093 587 HD2 HIS 78 HD2 HIS 78 -0.798 13.603 -3.185 588 HE1 HIS 78 HE1 HIS 78 -2.349 12.480 0.620 589 H ASP 79 HN ASP 79 -0.511 9.601 -5.962 590 HA ASP 79 HA ASP 79 1.561 8.785 -6.458 591 HB2 ASP 79 HB2 ASP 79 2.463 11.648 -6.681 592 HB3 ASP 79 HB3 ASP 79 3.036 10.255 -7.573 593 H SER 80 HN SER 80 1.071 9.335 -3.584 594 HA SER 80 HA SER 80 3.025 10.454 -2.093 595 HB2 SER 80 HB2 SER 80 1.621 7.811 -1.667 596 HB3 SER 80 HB3 SER 80 2.478 8.687 -0.383 597 HG SER 80 HG SER 80 0.577 9.412 -0.058 598 H GLY 81 HN GLY 81 5.133 10.168 -1.628 599 HA2 GLY 81 HA2 GLY 81 6.409 7.483 -1.840 600 HA3 GLY 81 HA1 GLY 81 7.246 9.048 -1.790 601 H LEU 82 HN LEU 82 8.397 8.828 0.013 602 HA LEU 82 HA LEU 82 9.040 8.836 2.084 603 HB2 LEU 82 HB2 LEU 82 7.741 10.883 1.930 604 HB3 LEU 82 HB3 LEU 82 6.309 10.059 2.514 605 HG LEU 82 HG LEU 82 7.146 9.927 4.742 606 HD11 LEU 82 HD11 LEU 82 9.829 11.072 3.851 607 HD12 LEU 82 HD12 LEU 82 9.560 9.358 4.261 608 HD13 LEU 82 HD13 LEU 82 9.345 10.608 5.479 609 HD21 LEU 82 HD21 LEU 82 6.290 12.130 3.998 610 HD22 LEU 82 HD22 LEU 82 7.948 12.650 3.629 611 HD23 LEU 82 HD23 LEU 82 7.476 12.270 5.302 612 H PHE 83 HN PHE 83 8.142 6.379 1.291 613 HA PHE 83 HA PHE 83 7.063 5.044 3.692 614 HB2 PHE 83 HB2 PHE 83 8.125 4.058 1.012 615 HB3 PHE 83 HB3 PHE 83 7.642 3.016 2.333 616 HD1 PHE 83 HD2 PHE 83 6.350 5.635 0.027 617 HD2 PHE 83 HD1 PHE 83 5.400 2.397 2.727 618 HE1 PHE 83 HE2 PHE 83 4.021 5.559 -0.861 619 HE2 PHE 83 HE1 PHE 83 3.061 2.412 1.913 620 HZ PHE 83 HZ PHE 83 2.404 3.900 0.062 621 H THR 84 HN THR 84 8.516 4.737 5.419 622 HA THR 84 HA THR 84 11.337 4.851 5.121 623 HB THR 84 HB THR 84 9.916 3.396 7.374 624 HG1 THR 84 HG1 THR 84 9.853 6.154 6.805 625 HG21 THR 84 HG21 THR 84 12.340 3.661 7.547 626 HG22 THR 84 HG22 THR 84 11.548 4.663 8.749 627 HG23 THR 84 HG23 THR 84 12.221 5.414 7.277 628 H TRP 85 HN TRP 85 12.888 3.082 5.273 629 HA TRP 85 HA TRP 85 12.265 0.645 4.020 630 HB2 TRP 85 HB2 TRP 85 14.523 1.387 5.948 631 HB3 TRP 85 HB3 TRP 85 14.410 -0.159 5.175 632 HD1 TRP 85 HD1 TRP 85 16.528 2.377 4.732 633 HE1 TRP 85 HE1 TRP 85 17.163 2.954 2.330 634 HE3 TRP 85 HE3 TRP 85 12.878 -0.269 2.286 635 HZ2 TRP 85 HZ2 TRP 85 16.217 2.245 -0.380 636 HZ3 TRP 85 HZ3 TRP 85 12.838 -0.379 -0.147 637 HH2 TRP 85 HH2 TRP 85 14.524 0.801 -1.501 638 H ASP 86 HN ASP 86 12.306 1.399 7.475 639 HA ASP 86 HA ASP 86 11.801 -1.188 8.433 640 HB2 ASP 86 HB2 ASP 86 12.206 1.297 9.559 641 HB3 ASP 86 HB3 ASP 86 10.530 0.997 9.982 642 H TYR 87 HN TYR 87 9.554 1.411 7.856 643 HA TYR 87 HA TYR 87 7.095 0.256 8.295 644 HB2 TYR 87 HB2 TYR 87 7.699 2.653 8.013 645 HB3 TYR 87 HB3 TYR 87 7.915 2.398 6.294 646 HD1 TYR 87 HD1 TYR 87 5.284 1.696 8.907 647 HD2 TYR 87 HD2 TYR 87 6.193 3.201 4.962 648 HE1 TYR 87 HE1 TYR 87 2.921 2.264 8.599 649 HE2 TYR 87 HE2 TYR 87 3.801 3.766 4.617 650 HH TYR 87 HH TYR 87 1.370 2.522 6.289 651 H LEU 88 HN LEU 88 8.934 0.334 5.188 652 HA LEU 88 HA LEU 88 6.938 -0.842 3.554 653 HB2 LEU 88 HB2 LEU 88 9.962 -0.804 3.460 654 HB3 LEU 88 HB3 LEU 88 9.044 -1.681 2.229 655 HG LEU 88 HG LEU 88 8.378 1.174 2.881 656 HD11 LEU 88 HD11 LEU 88 9.906 1.985 1.191 657 HD12 LEU 88 HD12 LEU 88 10.536 0.345 0.900 658 HD13 LEU 88 HD13 LEU 88 10.800 1.166 2.449 659 HD21 LEU 88 HD21 LEU 88 8.190 -0.438 0.293 660 HD22 LEU 88 HD22 LEU 88 7.641 1.237 0.516 661 HD23 LEU 88 HD23 LEU 88 6.846 -0.080 1.394 662 H TYR 89 HN TYR 89 9.649 -2.451 5.264 663 HA TYR 89 HA TYR 89 8.765 -5.084 4.445 664 HB2 TYR 89 HB2 TYR 89 10.969 -3.893 5.952 665 HB3 TYR 89 HB3 TYR 89 10.494 -5.390 6.638 666 HD1 TYR 89 HD1 TYR 89 9.826 -7.122 4.031 667 HD2 TYR 89 HD2 TYR 89 13.038 -4.404 4.995 668 HE1 TYR 89 HE1 TYR 89 11.033 -7.842 2.140 669 HE2 TYR 89 HE2 TYR 89 14.322 -5.232 3.126 670 HH TYR 89 HH TYR 89 13.072 -7.185 0.592 671 H GLU 90 HN GLU 90 8.068 -3.026 7.265 672 HA GLU 90 HA GLU 90 6.819 -4.961 8.888 673 HB2 GLU 90 HB2 GLU 90 7.372 -2.426 9.330 674 HB3 GLU 90 HB3 GLU 90 5.865 -2.077 8.518 675 HG2 GLU 90 HG2 GLU 90 5.285 -2.063 10.755 676 HG3 GLU 90 HG3 GLU 90 4.765 -3.666 10.225 677 H LEU 91 HN LEU 91 5.339 -2.729 6.515 678 HA LEU 91 HA LEU 91 2.748 -3.847 6.639 679 HB2 LEU 91 HB2 LEU 91 4.084 -2.360 4.374 680 HB3 LEU 91 HB3 LEU 91 2.347 -2.593 4.542 681 HG LEU 91 HG LEU 91 4.021 -1.133 6.628 682 HD11 LEU 91 HD11 LEU 91 2.354 0.447 4.715 683 HD12 LEU 91 HD12 LEU 91 3.948 -0.138 4.174 684 HD13 LEU 91 HD13 LEU 91 3.841 0.827 5.613 685 HD21 LEU 91 HD21 LEU 91 2.008 -0.042 7.355 686 HD22 LEU 91 HD22 LEU 91 1.873 -1.785 7.518 687 HD23 LEU 91 HD23 LEU 91 1.045 -0.938 6.178 688 H ALA 92 HN ALA 92 5.566 -4.842 4.797 689 HA ALA 92 HA ALA 92 4.391 -6.438 2.782 690 HB1 ALA 92 HB1 ALA 92 6.840 -5.758 3.082 691 HB2 ALA 92 HB2 ALA 92 6.981 -7.183 4.133 692 HB3 ALA 92 HB3 ALA 92 6.466 -7.359 2.438 693 H THR 93 HN THR 93 5.166 -7.275 6.261 694 HA THR 93 HA THR 93 4.183 -10.029 5.800 695 HB THR 93 HB THR 93 6.184 -9.943 7.049 696 HG1 THR 93 HG1 THR 93 5.489 -10.745 9.103 697 HG21 THR 93 HG21 THR 93 4.857 -8.021 8.952 698 HG22 THR 93 HG22 THR 93 6.232 -7.701 7.874 699 HG23 THR 93 HG23 THR 93 6.410 -8.825 9.213 700 H ARG 94 HN ARG 94 3.293 -6.987 7.403 701 HA ARG 94 HA ARG 94 1.037 -8.017 8.879 702 HB2 ARG 94 HB2 ARG 94 2.151 -5.295 8.165 703 HB3 ARG 94 HB3 ARG 94 0.673 -5.433 9.090 704 HG2 ARG 94 HG2 ARG 94 3.105 -6.994 9.989 705 HG3 ARG 94 HG3 ARG 94 3.059 -5.283 10.249 706 HD2 ARG 94 HD2 ARG 94 1.720 -5.627 12.092 707 HD3 ARG 94 HD3 ARG 94 0.463 -6.256 11.059 708 HE ARG 94 HE ARG 94 0.922 -8.361 11.708 709 HH11 ARG 94 HH11 ARG 94 3.646 -6.301 12.737 710 HH12 ARG 94 HH12 ARG 94 4.534 -7.590 13.461 711 HH21 ARG 94 HH21 ARG 94 2.164 -10.117 12.655 712 HH22 ARG 94 HH22 ARG 94 3.769 -9.766 13.243 713 H LYS 95 HN LYS 95 1.257 -7.695 5.601 714 HA LYS 95 HA LYS 95 -0.670 -6.047 4.740 715 HB2 LYS 95 HB2 LYS 95 0.779 -7.347 3.275 716 HB3 LYS 95 HB3 LYS 95 -0.062 -8.836 3.687 717 HG2 LYS 95 HG2 LYS 95 -2.183 -7.842 2.654 718 HG3 LYS 95 HG3 LYS 95 -1.197 -6.469 2.194 719 HD2 LYS 95 HD2 LYS 95 -1.246 -7.738 0.243 720 HD3 LYS 95 HD3 LYS 95 0.318 -8.106 0.966 721 HE2 LYS 95 HE2 LYS 95 -0.606 -10.134 0.172 722 HE3 LYS 95 HE3 LYS 95 -0.583 -10.186 1.930 723 HZ1 LYS 95 HZ1 LYS 95 -2.926 -9.729 2.003 724 HZ2 LYS 95 HZ2 LYS 95 -2.738 -10.954 0.976 725 HZ3 LYS 95 HZ3 LYS 95 -3.010 -9.421 0.412 726 H ASP 96 HN ASP 96 -1.314 -9.369 5.735 727 HA ASP 96 HA ASP 96 -4.066 -9.466 5.272 728 HB2 ASP 96 HB2 ASP 96 -2.543 -11.358 5.723 729 HB3 ASP 96 HB3 ASP 96 -2.475 -10.894 7.417 730 H GLN 97 HN GLN 97 -2.386 -7.989 8.025 731 HA GLN 97 HA GLN 97 -4.790 -7.467 9.589 732 HB2 GLN 97 HB2 GLN 97 -2.475 -7.622 10.552 733 HB3 GLN 97 HB3 GLN 97 -2.069 -6.103 9.789 734 HG2 GLN 97 HG2 GLN 97 -4.483 -6.317 11.626 735 HG3 GLN 97 HG3 GLN 97 -2.861 -6.156 12.275 736 HE21 GLN 97 HE21 GLN 97 -5.563 -4.352 11.185 737 HE22 GLN 97 HE22 GLN 97 -4.757 -2.813 11.016 738 H LEU 98 HN LEU 98 -2.506 -5.397 7.807 739 HA LEU 98 HA LEU 98 -3.949 -3.023 7.904 740 HB2 LEU 98 HB2 LEU 98 -2.306 -3.983 5.527 741 HB3 LEU 98 HB3 LEU 98 -2.898 -2.378 5.695 742 HG LEU 98 HG LEU 98 -1.011 -1.764 6.546 743 HD11 LEU 98 HD11 LEU 98 -2.168 -2.000 8.727 744 HD12 LEU 98 HD12 LEU 98 -0.407 -2.113 8.782 745 HD13 LEU 98 HD13 LEU 98 -1.379 -3.602 8.905 746 HD21 LEU 98 HD21 LEU 98 -0.382 -4.674 6.468 747 HD22 LEU 98 HD22 LEU 98 0.654 -3.678 7.472 748 HD23 LEU 98 HD23 LEU 98 0.487 -3.296 5.770 749 H TRP 99 HN TRP 99 -4.269 -5.539 5.376 750 HA TRP 99 HA TRP 99 -6.019 -3.954 3.763 751 HB2 TRP 99 HB2 TRP 99 -4.665 -5.864 2.937 752 HB3 TRP 99 HB3 TRP 99 -5.630 -6.961 3.889 753 HD1 TRP 99 HD1 TRP 99 -7.527 -8.059 2.613 754 HE1 TRP 99 HE1 TRP 99 -8.795 -7.659 0.446 755 HE3 TRP 99 HE3 TRP 99 -5.755 -3.393 1.578 756 HZ2 TRP 99 HZ2 TRP 99 -8.845 -5.623 -1.656 757 HZ3 TRP 99 HZ3 TRP 99 -6.371 -2.266 -0.580 758 HH2 TRP 99 HH2 TRP 99 -7.885 -3.389 -2.195 759 H ALA 100 HN ALA 100 -6.623 -6.383 6.319 760 HA ALA 100 HA ALA 100 -9.484 -6.438 6.002 761 HB1 ALA 100 HB1 ALA 100 -9.413 -7.563 8.197 762 HB2 ALA 100 HB2 ALA 100 -8.149 -8.221 7.151 763 HB3 ALA 100 HB3 ALA 100 -7.737 -7.049 8.423 764 H ASP 101 HN ASP 101 -7.186 -4.456 7.862 765 HA ASP 101 HA ASP 101 -8.967 -2.933 9.441 766 HB2 ASP 101 HB2 ASP 101 -6.240 -3.090 9.070 767 HB3 ASP 101 HB3 ASP 101 -6.545 -1.580 8.267 768 H TYR 102 HN TYR 102 -7.449 -2.081 6.288 769 HA TYR 102 HA TYR 102 -9.016 0.215 5.889 770 HB2 TYR 102 HB2 TYR 102 -7.303 -1.560 4.130 771 HB3 TYR 102 HB3 TYR 102 -8.203 -0.233 3.445 772 HD1 TYR 102 HD1 TYR 102 -7.976 2.087 4.989 773 HD2 TYR 102 HD2 TYR 102 -5.058 -1.085 4.678 774 HE1 TYR 102 HE1 TYR 102 -6.221 3.633 5.756 775 HE2 TYR 102 HE2 TYR 102 -3.334 0.433 5.594 776 HH TYR 102 HH TYR 102 -3.979 3.891 6.319 777 H LEU 103 HN LEU 103 -9.636 -3.139 4.790 778 HA LEU 103 HA LEU 103 -11.948 -2.540 3.207 779 HB2 LEU 103 HB2 LEU 103 -11.227 -4.962 4.900 780 HB3 LEU 103 HB3 LEU 103 -12.717 -4.862 3.971 781 HG LEU 103 HG LEU 103 -9.955 -4.622 2.693 782 HD11 LEU 103 HD11 LEU 103 -11.786 -7.024 3.100 783 HD12 LEU 103 HD12 LEU 103 -10.120 -6.794 3.702 784 HD13 LEU 103 HD13 LEU 103 -10.424 -6.992 1.967 785 HD21 LEU 103 HD21 LEU 103 -11.758 -3.634 1.349 786 HD22 LEU 103 HD22 LEU 103 -12.681 -5.146 1.470 787 HD23 LEU 103 HD23 LEU 103 -11.123 -5.121 0.610 788 H ALA 104 HN ALA 104 -11.621 -3.225 6.756 789 HA ALA 104 HA ALA 104 -14.421 -3.138 7.288 790 HB1 ALA 104 HB1 ALA 104 -12.098 -2.436 9.144 791 HB2 ALA 104 HB2 ALA 104 -13.749 -2.888 9.608 792 HB3 ALA 104 HB3 ALA 104 -12.697 -4.074 8.818 793 H GLU 105 HN GLU 105 -11.842 -0.629 7.411 794 HA GLU 105 HA GLU 105 -13.450 1.552 8.099 795 HB2 GLU 105 HB2 GLU 105 -10.971 1.345 6.378 796 HB3 GLU 105 HB3 GLU 105 -11.753 2.885 6.753 797 HG2 GLU 105 HG2 GLU 105 -11.369 1.250 9.178 798 HG3 GLU 105 HG3 GLU 105 -9.870 1.547 8.314 799 H LEU 106 HN LEU 106 -12.753 0.310 4.796 800 HA LEU 106 HA LEU 106 -14.313 2.157 3.368 801 HB2 LEU 106 HB2 LEU 106 -12.978 -0.364 2.801 802 HB3 LEU 106 HB3 LEU 106 -14.601 -0.447 2.156 803 HG LEU 106 HG LEU 106 -13.206 0.375 0.396 804 HD11 LEU 106 HD11 LEU 106 -14.568 2.855 1.372 805 HD12 LEU 106 HD12 LEU 106 -15.473 1.402 0.911 806 HD13 LEU 106 HD13 LEU 106 -14.426 2.179 -0.270 807 HD21 LEU 106 HD21 LEU 106 -11.702 2.176 0.531 808 HD22 LEU 106 HD22 LEU 106 -11.387 1.204 1.979 809 HD23 LEU 106 HD23 LEU 106 -12.320 2.700 2.117 810 H ALA 107 HN ALA 107 -15.270 -0.874 4.865 811 HA ALA 107 HA ALA 107 -17.916 -0.879 3.783 812 HB1 ALA 107 HB1 ALA 107 -16.517 -2.890 4.471 813 HB2 ALA 107 HB2 ALA 107 -16.848 -2.459 6.162 814 HB3 ALA 107 HB3 ALA 107 -18.183 -2.884 5.055 815 H SER 108 HN SER 108 -16.559 0.041 6.971 816 HA SER 108 HA SER 108 -19.057 0.704 8.218 817 HB2 SER 108 HB2 SER 108 -16.990 0.082 9.441 818 HB3 SER 108 HB3 SER 108 -16.207 1.559 8.862 819 HG SER 108 HG SER 108 -17.057 1.882 10.955 820 H ALA 109 HN ALA 109 -16.534 2.703 6.487 821 HA ALA 109 HA ALA 109 -17.932 5.184 6.846 822 HB1 ALA 109 HB1 ALA 109 -16.493 5.987 4.998 823 HB2 ALA 109 HB2 ALA 109 -15.543 5.076 6.178 824 HB3 ALA 109 HB3 ALA 109 -16.010 4.318 4.634 825 H GLY 110 HN GLY 110 -18.469 2.432 4.759 826 HA2 GLY 110 HA2 GLY 110 -20.183 1.917 3.361 827 HA3 GLY 110 HA1 GLY 110 -21.020 3.393 3.855 828 H LYS 111 HN LYS 111 -17.912 2.678 2.176 829 HA LYS 111 HA LYS 111 -18.945 4.013 -0.245 830 HB2 LYS 111 HB2 LYS 111 -16.013 4.184 0.484 831 HB3 LYS 111 HB3 LYS 111 -16.851 5.012 -0.799 832 HG2 LYS 111 HG2 LYS 111 -17.250 5.599 2.175 833 HG3 LYS 111 HG3 LYS 111 -16.146 6.460 1.100 834 HD2 LYS 111 HD2 LYS 111 -18.048 7.170 -0.335 835 HD3 LYS 111 HD3 LYS 111 -19.166 6.271 0.709 836 HE2 LYS 111 HE2 LYS 111 -17.982 7.712 2.614 837 HE3 LYS 111 HE3 LYS 111 -17.603 8.795 1.268 838 HZ1 LYS 111 HZ1 LYS 111 -20.040 8.708 0.776 839 HZ2 LYS 111 HZ2 LYS 111 -19.651 9.468 2.204 840 HZ3 LYS 111 HZ3 LYS 111 -20.280 7.939 2.198 841 H SER 112 HN SER 112 -16.952 3.194 -2.004 842 HA SER 112 HA SER 112 -16.365 0.365 -1.357 843 HB2 SER 112 HB2 SER 112 -17.687 1.321 -3.930 844 HB3 SER 112 HB3 SER 112 -17.111 -0.317 -3.594 845 HG SER 112 HG SER 112 -19.211 1.060 -2.181 846 H ARG 113 HN ARG 113 -14.575 -0.461 -2.391 847 HA ARG 113 HA ARG 113 -12.582 1.497 -3.332 848 HB2 ARG 113 HB2 ARG 113 -12.569 -1.533 -3.488 849 HB3 ARG 113 HB3 ARG 113 -11.227 -0.392 -3.755 850 HG2 ARG 113 HG2 ARG 113 -11.508 0.191 -1.263 851 HG3 ARG 113 HG3 ARG 113 -12.510 -1.287 -1.166 852 HD2 ARG 113 HD2 ARG 113 -10.659 -2.524 -2.415 853 HD3 ARG 113 HD3 ARG 113 -9.645 -1.100 -2.221 854 HE ARG 113 HE ARG 113 -9.877 -3.190 -0.498 855 HH11 ARG 113 HH11 ARG 113 -9.653 0.318 -0.457 856 HH12 ARG 113 HH12 ARG 113 -9.135 0.493 1.170 857 HH21 ARG 113 HH21 ARG 113 -9.066 -3.067 1.719 858 HH22 ARG 113 HH22 ARG 113 -8.735 -1.517 2.402 859 H ASP 114 HN ASP 114 -14.823 -0.934 -4.606 860 HA ASP 114 HA ASP 114 -13.866 -0.810 -7.383 861 HB2 ASP 114 HB2 ASP 114 -15.617 -2.524 -5.800 862 HB3 ASP 114 HB3 ASP 114 -16.520 -1.860 -7.162 863 HA PRO 115 HA PRO 115 -15.847 2.920 -8.198 864 HB2 PRO 115 HB2 PRO 115 -16.789 2.654 -10.813 865 HB3 PRO 115 HB3 PRO 115 -15.092 2.936 -10.338 866 HG2 PRO 115 HG2 PRO 115 -16.399 0.304 -11.037 867 HG3 PRO 115 HG3 PRO 115 -14.780 0.925 -11.527 868 HD2 PRO 115 HD2 PRO 115 -15.126 -0.845 -9.503 869 HD3 PRO 115 HD3 PRO 115 -13.867 0.415 -9.398 870 H ASP 116 HN ASP 116 -17.908 0.222 -9.232 871 HA ASP 116 HA ASP 116 -20.237 1.422 -7.842 872 HB2 ASP 116 HB2 ASP 116 -20.395 2.085 -10.208 873 HB3 ASP 116 HB3 ASP 116 -20.338 0.386 -10.697 874 H GLU 117 HN GLU 117 -18.951 -0.233 -6.518 875 HA GLU 117 HA GLU 117 -19.304 -3.026 -6.899 876 HB2 GLU 117 HB2 GLU 117 -17.837 -1.464 -5.311 877 HB3 GLU 117 HB3 GLU 117 -19.200 -1.566 -4.237 878 HG2 GLU 117 HG2 GLU 117 -17.916 -4.042 -5.356 879 HG3 GLU 117 HG3 GLU 117 -17.140 -3.172 -4.040 880 H SER 118 HN SER 118 -20.944 -4.404 -5.969 881 HA SER 118 HA SER 118 -23.512 -3.092 -5.296 882 HB2 SER 118 HB2 SER 118 -22.977 -5.599 -6.880 883 HB3 SER 118 HB3 SER 118 -24.559 -4.815 -6.633 884 HG SER 118 HG SER 118 -23.688 -4.265 -8.635 885 H VAL 119 HN VAL 119 -21.549 -3.887 -3.425 886 HA VAL 119 HA VAL 119 -21.091 -4.841 -1.598 887 HB VAL 119 HB VAL 119 -23.078 -3.706 -0.920 888 HG11 VAL 119 HG11 VAL 119 -24.896 -4.790 -2.027 889 HG12 VAL 119 HG12 VAL 119 -24.490 -6.364 -1.299 890 HG13 VAL 119 HG13 VAL 119 -25.116 -5.043 -0.289 891 HG21 VAL 119 HG21 VAL 119 -23.348 -4.729 1.237 892 HG22 VAL 119 HG22 VAL 119 -22.723 -6.269 0.647 893 HG23 VAL 119 HG23 VAL 119 -21.649 -4.857 0.750 894 H VAL 120 HN VAL 120 -20.321 -6.602 -0.611 895 HA VAL 120 HA VAL 120 -21.163 -9.266 -1.632 896 HB VAL 120 HB VAL 120 -19.192 -8.264 -2.801 897 HG11 VAL 120 HG11 VAL 120 -17.969 -7.199 -1.023 898 HG12 VAL 120 HG12 VAL 120 -17.721 -8.730 -0.174 899 HG13 VAL 120 HG13 VAL 120 -16.968 -8.444 -1.748 900 HG21 VAL 120 HG21 VAL 120 -18.656 -10.929 -1.443 901 HG22 VAL 120 HG22 VAL 120 -19.665 -10.641 -2.895 902 HG23 VAL 120 HG23 VAL 120 -17.927 -10.305 -2.951 903 H LYS 121 HN LYS 121 -22.017 -7.986 0.837 904 HA LYS 121 HA LYS 121 -21.434 -10.184 2.627 905 HB2 LYS 121 HB2 LYS 121 -20.866 -7.282 3.457 906 HB3 LYS 121 HB3 LYS 121 -21.176 -8.585 4.607 907 HG2 LYS 121 HG2 LYS 121 -19.199 -9.829 3.672 908 HG3 LYS 121 HG3 LYS 121 -18.813 -8.374 2.714 909 HD2 LYS 121 HD2 LYS 121 -18.695 -7.035 4.819 910 HD3 LYS 121 HD3 LYS 121 -19.137 -8.468 5.754 911 HE2 LYS 121 HE2 LYS 121 -16.777 -8.207 5.932 912 HE3 LYS 121 HE3 LYS 121 -17.106 -9.631 4.932 913 HZ1 LYS 121 HZ1 LYS 121 -16.588 -8.283 2.972 914 HZ2 LYS 121 HZ2 LYS 121 -15.353 -8.225 4.069 915 HZ3 LYS 121 HZ3 LYS 121 -16.332 -6.958 3.939 916 H LEU 122 HN LEU 122 -23.029 -10.208 4.379 917 HA LEU 122 HA LEU 122 -25.016 -8.008 4.355 918 HB2 LEU 122 HB2 LEU 122 -25.618 -10.901 5.087 919 HB3 LEU 122 HB3 LEU 122 -26.642 -9.512 5.388 920 HG LEU 122 HG LEU 122 -26.263 -9.157 2.716 921 HD11 LEU 122 HD11 LEU 122 -24.951 -11.253 2.448 922 HD12 LEU 122 HD12 LEU 122 -26.497 -11.328 1.583 923 HD13 LEU 122 HD13 LEU 122 -26.302 -12.189 3.128 924 HD21 LEU 122 HD21 LEU 122 -28.417 -9.170 3.876 925 HD22 LEU 122 HD22 LEU 122 -28.378 -10.950 3.971 926 HD23 LEU 122 HD23 LEU 122 -28.480 -10.129 2.393 927 H MET 123 HN MET 123 -24.059 -6.759 5.879 928 HA MET 123 HA MET 123 -23.802 -7.923 8.589 929 HB2 MET 123 HB2 MET 123 -21.578 -7.162 8.942 930 HB3 MET 123 HB3 MET 123 -21.596 -8.095 7.463 931 HG2 MET 123 HG2 MET 123 -20.257 -6.368 6.848 932 HG3 MET 123 HG3 MET 123 -21.803 -5.769 6.260 933 HE1 MET 123 HE1 MET 123 -20.540 -3.388 6.037 934 HE2 MET 123 HE2 MET 123 -19.734 -2.575 7.396 935 HE3 MET 123 HE3 MET 123 -19.064 -4.086 6.740 936 H LEU 124 HN LEU 124 -25.354 -5.588 6.924 937 HA LEU 124 HA LEU 124 -24.778 -3.107 8.228 938 HB2 LEU 124 HB2 LEU 124 -26.300 -3.624 6.138 939 HB3 LEU 124 HB3 LEU 124 -27.538 -4.039 7.313 940 HG LEU 124 HG LEU 124 -27.888 -1.847 6.455 941 HD11 LEU 124 HD11 LEU 124 -28.218 -0.568 8.426 942 HD12 LEU 124 HD12 LEU 124 -26.936 -1.418 9.306 943 HD13 LEU 124 HD13 LEU 124 -28.436 -2.261 8.880 944 HD21 LEU 124 HD21 LEU 124 -25.182 -1.014 7.571 945 HD22 LEU 124 HD22 LEU 124 -26.341 -0.020 6.674 946 HD23 LEU 124 HD23 LEU 124 -25.540 -1.348 5.855 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 19.736 -5.065 12.370 2 HA2 GLY 1 HA2 GLY 1 20.292 -2.833 11.512 3 HA3 GLY 1 HA1 GLY 1 20.576 -4.090 10.287 4 H MET 2 HN MET 2 20.264 -1.687 9.207 5 HA MET 2 HA MET 2 17.761 -0.683 8.675 6 HB2 MET 2 HB2 MET 2 20.234 -0.862 6.942 7 HB3 MET 2 HB3 MET 2 18.702 -0.398 6.223 8 HG2 MET 2 HG2 MET 2 19.450 1.627 6.668 9 HG3 MET 2 HG3 MET 2 18.481 1.350 8.096 10 HE1 MET 2 HE1 MET 2 22.276 0.195 7.187 11 HE2 MET 2 HE2 MET 2 22.035 1.837 6.547 12 HE3 MET 2 HE3 MET 2 23.119 1.564 7.925 13 H ARG 3 HN ARG 3 15.994 -1.287 7.615 14 HA ARG 3 HA ARG 3 15.738 -4.036 6.639 15 HB2 ARG 3 HB2 ARG 3 13.933 -1.756 7.372 16 HB3 ARG 3 HB3 ARG 3 13.235 -3.016 6.384 17 HG2 ARG 3 HG2 ARG 3 14.704 -3.853 8.868 18 HG3 ARG 3 HG3 ARG 3 13.075 -3.154 9.002 19 HD2 ARG 3 HD2 ARG 3 12.061 -4.771 7.750 20 HD3 ARG 3 HD3 ARG 3 13.542 -5.432 7.074 21 HE ARG 3 HE ARG 3 12.289 -5.996 9.634 22 HH11 ARG 3 HH11 ARG 3 15.338 -6.343 7.784 23 HH12 ARG 3 HH12 ARG 3 16.049 -7.412 8.909 24 HH21 ARG 3 HH21 ARG 3 12.992 -7.708 10.822 25 HH22 ARG 3 HH22 ARG 3 14.543 -8.437 10.578 26 H ILE 4 HN ILE 4 17.502 -2.949 4.973 27 HA ILE 4 HA ILE 4 16.135 -1.788 2.646 28 HB ILE 4 HB ILE 4 19.025 -2.533 3.142 29 HG12 ILE 4 HG12 ILE 4 17.857 0.212 2.587 30 HG13 ILE 4 HG13 ILE 4 17.775 -0.414 4.207 31 HG21 ILE 4 HG21 ILE 4 17.671 -1.331 0.662 32 HG22 ILE 4 HG22 ILE 4 19.415 -1.270 0.945 33 HG23 ILE 4 HG23 ILE 4 18.618 -2.829 0.747 34 HD11 ILE 4 HD11 ILE 4 20.169 -0.512 4.408 35 HD12 ILE 4 HD12 ILE 4 20.401 -0.161 2.689 36 HD13 ILE 4 HD13 ILE 4 19.736 1.080 3.771 37 HA PRO 5 HA PRO 5 15.426 -6.032 1.180 38 HB2 PRO 5 HB2 PRO 5 14.019 -5.469 -1.095 39 HB3 PRO 5 HB3 PRO 5 13.318 -5.160 0.517 40 HG2 PRO 5 HG2 PRO 5 14.757 -3.210 -1.249 41 HG3 PRO 5 HG3 PRO 5 13.143 -3.020 -0.472 42 HD2 PRO 5 HD2 PRO 5 15.419 -1.987 0.590 43 HD3 PRO 5 HD3 PRO 5 14.143 -2.685 1.635 44 H SER 6 HN SER 6 15.841 -7.311 -0.691 45 HA SER 6 HA SER 6 17.670 -6.283 -2.783 46 HB2 SER 6 HB2 SER 6 18.125 -8.605 -0.896 47 HB3 SER 6 HB3 SER 6 18.888 -8.535 -2.492 48 HG SER 6 HG SER 6 20.198 -7.678 -0.864 49 H ALA 7 HN ALA 7 14.739 -7.711 -2.166 50 HA ALA 7 HA ALA 7 14.705 -8.449 -5.009 51 HB1 ALA 7 HB1 ALA 7 12.976 -10.163 -4.634 52 HB2 ALA 7 HB2 ALA 7 14.516 -10.629 -3.895 53 HB3 ALA 7 HB3 ALA 7 13.180 -10.021 -2.880 54 H ILE 8 HN ILE 8 14.050 -6.429 -5.482 55 HA ILE 8 HA ILE 8 11.350 -5.476 -4.581 56 HB ILE 8 HB ILE 8 13.462 -4.402 -6.535 57 HG12 ILE 8 HG12 ILE 8 14.312 -4.036 -4.349 58 HG13 ILE 8 HG13 ILE 8 13.811 -2.511 -5.065 59 HG21 ILE 8 HG21 ILE 8 12.157 -2.354 -6.761 60 HG22 ILE 8 HG22 ILE 8 11.247 -3.749 -7.336 61 HG23 ILE 8 HG23 ILE 8 10.866 -3.028 -5.761 62 HD11 ILE 8 HD11 ILE 8 11.669 -2.667 -3.720 63 HD12 ILE 8 HD12 ILE 8 12.379 -4.090 -2.911 64 HD13 ILE 8 HD13 ILE 8 13.153 -2.487 -2.781 65 H GLN 9 HN GLN 9 9.815 -6.681 -5.453 66 HA GLN 9 HA GLN 9 9.931 -7.027 -8.386 67 HB2 GLN 9 HB2 GLN 9 9.126 -9.159 -6.376 68 HB3 GLN 9 HB3 GLN 9 8.225 -8.969 -7.884 69 HG2 GLN 9 HG2 GLN 9 10.437 -8.903 -9.067 70 HG3 GLN 9 HG3 GLN 9 11.144 -9.609 -7.607 71 HE21 GLN 9 HE21 GLN 9 9.970 -11.659 -6.810 72 HE22 GLN 9 HE22 GLN 9 9.343 -12.780 -8.013 73 H LEU 10 HN LEU 10 9.044 -5.076 -8.485 74 HA LEU 10 HA LEU 10 6.764 -4.402 -6.838 75 HB2 LEU 10 HB2 LEU 10 6.724 -2.309 -7.927 76 HB3 LEU 10 HB3 LEU 10 8.381 -2.815 -7.983 77 HG LEU 10 HG LEU 10 7.745 -3.609 -10.458 78 HD11 LEU 10 HD11 LEU 10 6.187 -1.882 -11.500 79 HD12 LEU 10 HD12 LEU 10 5.645 -1.464 -9.866 80 HD13 LEU 10 HD13 LEU 10 5.347 -3.071 -10.526 81 HD21 LEU 10 HD21 LEU 10 8.430 -1.399 -11.296 82 HD22 LEU 10 HD22 LEU 10 9.389 -1.845 -9.873 83 HD23 LEU 10 HD23 LEU 10 8.053 -0.681 -9.719 84 H HIS 11 HN HIS 11 6.953 -6.472 -9.378 85 HA HIS 11 HA HIS 11 5.962 -7.234 -11.234 86 HB2 HIS 11 HB2 HIS 11 3.629 -7.614 -9.317 87 HB3 HIS 11 HB3 HIS 11 3.759 -8.240 -10.919 88 HD1 HIS 11 HD1 HIS 11 5.164 -10.347 -11.393 89 HD2 HIS 11 HD2 HIS 11 5.610 -8.696 -7.521 90 HE1 HIS 11 HE1 HIS 11 6.488 -12.038 -10.016 91 H LYS 12 HN LYS 12 6.121 -5.289 -12.591 92 HA LYS 12 HA LYS 12 4.118 -3.402 -12.447 93 HB2 LYS 12 HB2 LYS 12 6.419 -3.379 -13.717 94 HB3 LYS 12 HB3 LYS 12 5.439 -3.946 -15.084 95 HG2 LYS 12 HG2 LYS 12 3.836 -1.947 -14.329 96 HG3 LYS 12 HG3 LYS 12 5.270 -1.341 -13.520 97 HD2 LYS 12 HD2 LYS 12 5.162 -2.073 -16.473 98 HD3 LYS 12 HD3 LYS 12 4.662 -0.516 -15.814 99 HE2 LYS 12 HE2 LYS 12 6.686 0.220 -16.151 100 HE3 LYS 12 HE3 LYS 12 7.161 -0.695 -14.724 101 HZ1 LYS 12 HZ1 LYS 12 7.847 -2.507 -16.165 102 HZ2 LYS 12 HZ2 LYS 12 8.560 -1.125 -16.699 103 HZ3 LYS 12 HZ3 LYS 12 7.285 -1.726 -17.512 104 H ALA 13 HN ALA 13 3.998 -6.500 -14.117 105 HA ALA 13 HA ALA 13 1.822 -6.137 -15.836 106 HB1 ALA 13 HB1 ALA 13 1.516 -8.616 -15.509 107 HB2 ALA 13 HB2 ALA 13 3.184 -8.134 -15.875 108 HB3 ALA 13 HB3 ALA 13 2.708 -8.546 -14.212 109 H SER 14 HN SER 14 1.343 -7.958 -12.762 110 HA SER 14 HA SER 14 -1.430 -6.988 -12.685 111 HB2 SER 14 HB2 SER 14 0.012 -9.390 -11.883 112 HB3 SER 14 HB3 SER 14 -1.012 -8.799 -10.588 113 HG SER 14 HG SER 14 -2.757 -9.242 -11.839 114 H LYS 15 HN LYS 15 1.257 -5.568 -11.652 115 HA LYS 15 HA LYS 15 1.632 -3.833 -10.357 116 HB2 LYS 15 HB2 LYS 15 -1.356 -3.525 -9.920 117 HB3 LYS 15 HB3 LYS 15 -0.097 -2.311 -9.944 118 HG2 LYS 15 HG2 LYS 15 -0.613 -1.962 -12.088 119 HG3 LYS 15 HG3 LYS 15 0.004 -3.535 -12.525 120 HD2 LYS 15 HD2 LYS 15 -2.179 -4.562 -12.345 121 HD3 LYS 15 HD3 LYS 15 -2.827 -3.145 -11.478 122 HE2 LYS 15 HE2 LYS 15 -2.304 -1.742 -13.375 123 HE3 LYS 15 HE3 LYS 15 -1.894 -3.174 -14.360 124 HZ1 LYS 15 HZ1 LYS 15 -4.565 -2.577 -13.169 125 HZ2 LYS 15 HZ2 LYS 15 -4.174 -3.932 -14.017 126 HZ3 LYS 15 HZ3 LYS 15 -4.186 -2.473 -14.741 127 H THR 16 HN THR 16 2.161 -6.143 -9.092 128 HA THR 16 HA THR 16 1.015 -5.832 -6.346 129 HB THR 16 HB THR 16 2.169 -8.302 -7.736 130 HG1 THR 16 HG1 THR 16 0.324 -8.769 -8.319 131 HG21 THR 16 HG21 THR 16 2.534 -8.486 -5.350 132 HG22 THR 16 HG22 THR 16 1.261 -9.596 -5.861 133 HG23 THR 16 HG23 THR 16 0.826 -8.082 -5.024 134 H LEU 17 HN LEU 17 2.428 -4.850 -5.132 135 HA LEU 17 HA LEU 17 5.292 -4.745 -5.638 136 HB2 LEU 17 HB2 LEU 17 3.948 -2.871 -4.670 137 HB3 LEU 17 HB3 LEU 17 3.645 -3.852 -3.242 138 HG LEU 17 HG LEU 17 6.463 -3.018 -4.123 139 HD11 LEU 17 HD11 LEU 17 4.906 -1.096 -3.266 140 HD12 LEU 17 HD12 LEU 17 6.391 -1.374 -2.334 141 HD13 LEU 17 HD13 LEU 17 4.836 -1.995 -1.743 142 HD21 LEU 17 HD21 LEU 17 6.871 -4.760 -3.351 143 HD22 LEU 17 HD22 LEU 17 5.713 -4.658 -1.949 144 HD23 LEU 17 HD23 LEU 17 7.132 -3.558 -2.056 145 H THR 18 HN THR 18 6.564 -6.462 -5.145 146 HA THR 18 HA THR 18 5.741 -8.195 -2.895 147 HB THR 18 HB THR 18 7.053 -8.948 -5.523 148 HG1 THR 18 HG1 THR 18 4.898 -10.389 -4.862 149 HG21 THR 18 HG21 THR 18 6.484 -10.723 -3.143 150 HG22 THR 18 HG22 THR 18 8.089 -10.283 -3.786 151 HG23 THR 18 HG23 THR 18 7.010 -11.266 -4.762 152 H LEU 19 HN LEU 19 7.294 -8.772 -1.516 153 HA LEU 19 HA LEU 19 9.999 -7.558 -1.617 154 HB2 LEU 19 HB2 LEU 19 7.720 -7.060 0.350 155 HB3 LEU 19 HB3 LEU 19 9.364 -6.794 0.833 156 HG LEU 19 HG LEU 19 7.975 -5.325 -1.476 157 HD11 LEU 19 HD11 LEU 19 6.998 -4.846 0.790 158 HD12 LEU 19 HD12 LEU 19 7.893 -3.445 0.188 159 HD13 LEU 19 HD13 LEU 19 8.612 -4.504 1.423 160 HD21 LEU 19 HD21 LEU 19 10.618 -4.599 -0.220 161 HD22 LEU 19 HD22 LEU 19 9.718 -3.763 -1.528 162 HD23 LEU 19 HD23 LEU 19 10.385 -5.358 -1.824 163 H ARG 20 HN ARG 20 11.412 -8.773 -0.223 164 HA ARG 20 HA ARG 20 10.208 -11.263 0.923 165 HB2 ARG 20 HB2 ARG 20 11.670 -11.631 -1.026 166 HB3 ARG 20 HB3 ARG 20 13.022 -10.882 -0.158 167 HG2 ARG 20 HG2 ARG 20 12.770 -12.688 1.625 168 HG3 ARG 20 HG3 ARG 20 11.400 -13.346 0.720 169 HD2 ARG 20 HD2 ARG 20 13.334 -14.688 0.295 170 HD3 ARG 20 HD3 ARG 20 12.801 -13.852 -1.171 171 HE ARG 20 HE ARG 20 15.005 -12.734 0.503 172 HH11 ARG 20 HH11 ARG 20 14.064 -14.162 -2.665 173 HH12 ARG 20 HH12 ARG 20 15.420 -13.438 -3.466 174 HH21 ARG 20 HH21 ARG 20 16.761 -11.955 -0.558 175 HH22 ARG 20 HH22 ARG 20 16.942 -12.173 -2.305 176 H TYR 21 HN TYR 21 9.750 -10.416 3.001 177 HA TYR 21 HA TYR 21 11.585 -8.972 4.595 178 HB2 TYR 21 HB2 TYR 21 9.142 -8.989 4.953 179 HB3 TYR 21 HB3 TYR 21 9.280 -10.611 5.609 180 HD1 TYR 21 HD2 TYR 21 10.692 -10.963 7.758 181 HD2 TYR 21 HD1 TYR 21 9.709 -7.039 6.261 182 HE1 TYR 21 HE2 TYR 21 11.174 -9.993 9.975 183 HE2 TYR 21 HE1 TYR 21 10.115 -6.071 8.465 184 HH TYR 21 HH TYR 21 10.227 -6.790 10.889 185 H GLY 22 HN GLY 22 13.562 -10.282 4.341 186 HA2 GLY 22 HA2 GLY 22 15.102 -11.643 5.393 187 HA3 GLY 22 HA1 GLY 22 13.847 -12.272 6.466 188 H GLU 23 HN GLU 23 12.902 -14.218 5.952 189 HA GLU 23 HA GLU 23 13.846 -15.523 3.512 190 HB2 GLU 23 HB2 GLU 23 13.984 -17.477 4.536 191 HB3 GLU 23 HB3 GLU 23 14.299 -16.403 5.874 192 HG2 GLU 23 HG2 GLU 23 12.675 -17.642 6.879 193 HG3 GLU 23 HG3 GLU 23 11.720 -16.393 6.099 194 H ASP 24 HN ASP 24 11.040 -14.113 4.931 195 HA ASP 24 HA ASP 24 9.118 -15.956 3.608 196 HB2 ASP 24 HB2 ASP 24 8.905 -13.548 5.481 197 HB3 ASP 24 HB3 ASP 24 7.509 -14.185 4.643 198 H SER 25 HN SER 25 7.534 -14.994 1.931 199 HA SER 25 HA SER 25 8.310 -12.333 0.888 200 HB2 SER 25 HB2 SER 25 7.242 -13.683 -1.248 201 HB3 SER 25 HB3 SER 25 8.934 -13.304 -0.905 202 HG SER 25 HG SER 25 7.877 -15.669 0.141 203 H TYR 26 HN TYR 26 6.774 -10.839 0.904 204 HA TYR 26 HA TYR 26 3.916 -11.628 0.954 205 HB2 TYR 26 HB2 TYR 26 5.153 -9.123 2.072 206 HB3 TYR 26 HB3 TYR 26 3.513 -9.712 2.303 207 HD1 TYR 26 HD1 TYR 26 4.005 -12.605 3.006 208 HD2 TYR 26 HD2 TYR 26 6.264 -9.132 4.091 209 HE1 TYR 26 HE1 TYR 26 4.749 -13.763 5.076 210 HE2 TYR 26 HE2 TYR 26 7.102 -10.335 6.132 211 HH TYR 26 HH TYR 26 6.951 -12.191 7.435 212 H ASP 27 HN ASP 27 2.518 -10.558 -0.372 213 HA ASP 27 HA ASP 27 3.743 -9.214 -2.747 214 HB2 ASP 27 HB2 ASP 27 1.897 -11.623 -2.497 215 HB3 ASP 27 HB3 ASP 27 2.145 -10.752 -4.006 216 H LEU 28 HN LEU 28 2.905 -7.193 -1.981 217 HA LEU 28 HA LEU 28 0.129 -6.941 -1.103 218 HB2 LEU 28 HB2 LEU 28 2.257 -4.789 -1.529 219 HB3 LEU 28 HB3 LEU 28 0.786 -4.670 -0.586 220 HG LEU 28 HG LEU 28 2.034 -6.817 0.641 221 HD11 LEU 28 HD11 LEU 28 4.118 -6.632 -0.616 222 HD12 LEU 28 HD12 LEU 28 4.367 -6.255 1.072 223 HD13 LEU 28 HD13 LEU 28 4.282 -4.932 -0.112 224 HD21 LEU 28 HD21 LEU 28 1.014 -4.782 1.704 225 HD22 LEU 28 HD22 LEU 28 2.515 -3.897 1.350 226 HD23 LEU 28 HD23 LEU 28 2.519 -5.285 2.459 227 HA PRO 29 HA PRO 29 -1.109 -5.434 -5.215 228 HB2 PRO 29 HB2 PRO 29 -3.459 -4.148 -4.599 229 HB3 PRO 29 HB3 PRO 29 -3.304 -5.933 -4.680 230 HG2 PRO 29 HG2 PRO 29 -3.238 -4.116 -2.280 231 HG3 PRO 29 HG3 PRO 29 -4.102 -5.668 -2.497 232 HD2 PRO 29 HD2 PRO 29 -1.698 -5.446 -1.163 233 HD3 PRO 29 HD3 PRO 29 -2.142 -6.905 -2.089 234 H ALA 30 HN ALA 30 -1.685 -3.267 -6.308 235 HA ALA 30 HA ALA 30 -0.034 -1.115 -5.381 236 HB1 ALA 30 HB1 ALA 30 -0.658 -1.457 -7.779 237 HB2 ALA 30 HB2 ALA 30 -2.348 -1.010 -7.389 238 HB3 ALA 30 HB3 ALA 30 -1.061 0.174 -7.191 239 H GLU 31 HN GLU 31 -3.488 -1.910 -5.345 240 HA GLU 31 HA GLU 31 -4.566 0.449 -4.395 241 HB2 GLU 31 HB2 GLU 31 -6.525 -0.666 -4.156 242 HB3 GLU 31 HB3 GLU 31 -5.703 -1.725 -5.287 243 HG2 GLU 31 HG2 GLU 31 -5.103 -3.200 -3.300 244 HG3 GLU 31 HG3 GLU 31 -6.060 -2.138 -2.276 245 H PHE 32 HN PHE 32 -2.827 -1.969 -2.551 246 HA PHE 32 HA PHE 32 -3.685 -1.126 0.085 247 HB2 PHE 32 HB2 PHE 32 -2.732 -3.308 -0.165 248 HB3 PHE 32 HB3 PHE 32 -1.310 -2.698 -0.966 249 HD1 PHE 32 HD2 PHE 32 -3.070 -3.005 2.357 250 HD2 PHE 32 HD1 PHE 32 0.646 -1.724 0.357 251 HE1 PHE 32 HE2 PHE 32 -1.923 -3.000 4.512 252 HE2 PHE 32 HE1 PHE 32 1.733 -1.861 2.549 253 HZ PHE 32 HZ PHE 32 0.524 -2.556 4.582 254 H LEU 33 HN LEU 33 -0.490 -0.578 -1.649 255 HA LEU 33 HA LEU 33 0.366 1.034 0.403 256 HB2 LEU 33 HB2 LEU 33 1.234 0.974 -2.513 257 HB3 LEU 33 HB3 LEU 33 2.074 1.867 -1.242 258 HG LEU 33 HG LEU 33 3.163 -0.061 -1.526 259 HD11 LEU 33 HD11 LEU 33 1.940 -0.122 1.114 260 HD12 LEU 33 HD12 LEU 33 3.487 0.483 0.570 261 HD13 LEU 33 HD13 LEU 33 3.213 -1.261 0.608 262 HD21 LEU 33 HD21 LEU 33 2.169 -1.347 -2.862 263 HD22 LEU 33 HD22 LEU 33 0.881 -1.796 -1.725 264 HD23 LEU 33 HD23 LEU 33 2.550 -2.338 -1.449 265 H ARG 34 HN ARG 34 -1.225 2.112 -2.562 266 HA ARG 34 HA ARG 34 -0.911 4.889 -2.219 267 HB2 ARG 34 HB2 ARG 34 -1.988 3.990 -4.201 268 HB3 ARG 34 HB3 ARG 34 -3.341 3.374 -3.247 269 HG2 ARG 34 HG2 ARG 34 -3.963 5.358 -4.521 270 HG3 ARG 34 HG3 ARG 34 -4.124 5.648 -2.790 271 HD2 ARG 34 HD2 ARG 34 -2.080 6.981 -2.765 272 HD3 ARG 34 HD3 ARG 34 -1.739 6.546 -4.455 273 HE ARG 34 HE ARG 34 -4.052 7.637 -4.880 274 HH11 ARG 34 HH11 ARG 34 -1.648 8.975 -2.574 275 HH12 ARG 34 HH12 ARG 34 -2.091 10.601 -2.907 276 HH21 ARG 34 HH21 ARG 34 -4.777 9.713 -5.070 277 HH22 ARG 34 HH22 ARG 34 -4.079 11.032 -4.233 278 H VAL 35 HN VAL 35 -3.366 2.854 -0.510 279 HA VAL 35 HA VAL 35 -4.350 5.230 0.987 280 HB VAL 35 HB VAL 35 -6.059 3.883 1.727 281 HG11 VAL 35 HG11 VAL 35 -6.013 4.689 -0.679 282 HG12 VAL 35 HG12 VAL 35 -5.630 3.020 -1.152 283 HG13 VAL 35 HG13 VAL 35 -7.144 3.399 -0.305 284 HG21 VAL 35 HG21 VAL 35 -6.425 1.532 1.310 285 HG22 VAL 35 HG22 VAL 35 -4.855 1.375 0.518 286 HG23 VAL 35 HG23 VAL 35 -4.966 1.756 2.256 287 H HIS 36 HN HIS 36 -1.658 3.334 1.257 288 HA HIS 36 HA HIS 36 -1.486 3.688 4.197 289 HB2 HIS 36 HB2 HIS 36 -0.125 1.574 2.501 290 HB3 HIS 36 HB3 HIS 36 0.177 1.873 4.210 291 HD1 HIS 36 HD1 HIS 36 -2.805 0.853 1.997 292 HD2 HIS 36 HD2 HIS 36 -1.365 0.622 5.945 293 HE1 HIS 36 HE1 HIS 36 -4.471 -0.602 3.309 294 H SER 37 HN SER 37 -0.968 5.669 1.877 295 HA SER 37 HA SER 37 1.868 5.971 2.011 296 HB2 SER 37 HB2 SER 37 1.733 6.984 0.073 297 HB3 SER 37 HB3 SER 37 0.745 5.581 -0.083 298 HG SER 37 HG SER 37 -1.068 6.968 -0.064 299 HA PRO 38 HA PRO 38 0.749 9.321 4.953 300 HB2 PRO 38 HB2 PRO 38 2.965 9.097 6.545 301 HB3 PRO 38 HB3 PRO 38 1.558 7.995 6.701 302 HG2 PRO 38 HG2 PRO 38 4.118 7.405 5.230 303 HG3 PRO 38 HG3 PRO 38 3.222 6.406 6.412 304 HD2 PRO 38 HD2 PRO 38 2.981 6.135 3.719 305 HD3 PRO 38 HD3 PRO 38 1.603 5.870 4.833 306 H SER 39 HN SER 39 0.991 11.074 3.475 307 HA SER 39 HA SER 39 3.462 11.630 2.136 308 HB2 SER 39 HB2 SER 39 1.921 13.860 1.978 309 HB3 SER 39 HB3 SER 39 1.841 12.493 0.873 310 HG SER 39 HG SER 39 -0.147 12.370 1.422 311 H ALA 40 HN ALA 40 5.106 11.981 3.539 312 HA ALA 40 HA ALA 40 4.924 13.226 6.108 313 HB1 ALA 40 HB1 ALA 40 6.627 11.571 5.536 314 HB2 ALA 40 HB2 ALA 40 7.308 12.680 4.309 315 HB3 ALA 40 HB3 ALA 40 7.361 13.102 6.029 316 H GLU 41 HN GLU 41 4.788 14.653 3.063 317 HA GLU 41 HA GLU 41 6.657 16.823 3.609 318 HB2 GLU 41 HB2 GLU 41 5.549 15.558 1.066 319 HB3 GLU 41 HB3 GLU 41 6.651 16.946 1.064 320 HG2 GLU 41 HG2 GLU 41 8.401 15.657 2.171 321 HG3 GLU 41 HG3 GLU 41 7.312 14.328 2.495 322 H VAL 42 HN VAL 42 3.866 16.587 4.488 323 HA VAL 42 HA VAL 42 2.310 18.553 2.999 324 HB VAL 42 HB VAL 42 1.740 16.891 5.476 325 HG11 VAL 42 HG11 VAL 42 -0.696 17.364 4.883 326 HG12 VAL 42 HG12 VAL 42 0.216 18.712 5.588 327 HG13 VAL 42 HG13 VAL 42 -0.091 18.674 3.840 328 HG21 VAL 42 HG21 VAL 42 0.481 15.430 4.018 329 HG22 VAL 42 HG22 VAL 42 0.778 16.504 2.611 330 HG23 VAL 42 HG23 VAL 42 2.105 15.601 3.361 331 H GLN 43 HN GLN 43 4.064 18.460 6.100 332 HA GLN 43 HA GLN 43 4.743 20.120 7.450 333 HB2 GLN 43 HB2 GLN 43 3.414 22.280 5.900 334 HB3 GLN 43 HB3 GLN 43 4.912 22.315 6.806 335 HG2 GLN 43 HG2 GLN 43 6.192 21.596 5.023 336 HG3 GLN 43 HG3 GLN 43 4.912 20.637 4.290 337 HE21 GLN 43 HE21 GLN 43 2.932 21.859 3.500 338 HE22 GLN 43 HE22 GLN 43 3.332 23.253 2.510 339 H GLY 44 HN GLY 44 2.441 18.708 7.943 340 HA2 GLY 44 HA2 GLY 44 1.100 19.309 10.033 341 HA3 GLY 44 HA1 GLY 44 0.376 20.584 9.034 342 H HIS 45 HN HIS 45 1.284 17.161 8.412 343 HA HIS 45 HA HIS 45 -1.060 16.604 6.858 344 HB2 HIS 45 HB2 HIS 45 -0.438 14.363 6.825 345 HB3 HIS 45 HB3 HIS 45 1.061 15.256 6.786 346 HD1 HIS 45 HD1 HIS 45 -0.425 12.412 8.514 347 HD2 HIS 45 HD2 HIS 45 2.184 15.573 9.423 348 HE1 HIS 45 HE1 HIS 45 0.858 11.689 10.612 349 H GLY 46 HN GLY 46 -3.099 16.564 7.497 350 HA2 GLY 46 HA2 GLY 46 -3.824 16.671 10.280 351 HA3 GLY 46 HA1 GLY 46 -4.922 16.651 8.898 352 H ASN 47 HN ASN 47 -5.989 15.390 10.750 353 HA ASN 47 HA ASN 47 -5.516 12.852 11.563 354 HB2 ASN 47 HB2 ASN 47 -8.014 12.553 11.665 355 HB3 ASN 47 HB3 ASN 47 -7.460 14.081 12.303 356 HD21 ASN 47 HD21 ASN 47 -8.958 12.574 9.329 357 HD22 ASN 47 HD22 ASN 47 -9.469 14.139 8.733 358 HA PRO 48 HA PRO 48 -5.856 10.016 8.154 359 HB2 PRO 48 HB2 PRO 48 -7.312 7.906 9.219 360 HB3 PRO 48 HB3 PRO 48 -5.569 8.192 9.518 361 HG2 PRO 48 HG2 PRO 48 -7.921 8.984 11.253 362 HG3 PRO 48 HG3 PRO 48 -6.382 8.210 11.753 363 HD2 PRO 48 HD2 PRO 48 -6.784 10.865 11.999 364 HD3 PRO 48 HD3 PRO 48 -5.185 10.246 11.508 365 H VAL 49 HN VAL 49 -7.227 9.435 6.630 366 HA VAL 49 HA VAL 49 -10.125 9.914 6.866 367 HB VAL 49 HB VAL 49 -8.483 10.970 4.519 368 HG11 VAL 49 HG11 VAL 49 -10.641 10.231 3.778 369 HG12 VAL 49 HG12 VAL 49 -11.458 11.029 5.153 370 HG13 VAL 49 HG13 VAL 49 -10.696 11.990 3.873 371 HG21 VAL 49 HG21 VAL 49 -9.241 13.221 5.271 372 HG22 VAL 49 HG22 VAL 49 -9.889 12.502 6.762 373 HG23 VAL 49 HG23 VAL 49 -8.142 12.477 6.433 374 H LEU 50 HN LEU 50 -11.200 8.324 5.876 375 HA LEU 50 HA LEU 50 -9.748 5.990 5.119 376 HB2 LEU 50 HB2 LEU 50 -11.939 5.971 6.266 377 HB3 LEU 50 HB3 LEU 50 -12.702 6.719 4.855 378 HG LEU 50 HG LEU 50 -12.169 4.711 3.489 379 HD11 LEU 50 HD11 LEU 50 -10.134 3.929 4.520 380 HD12 LEU 50 HD12 LEU 50 -11.328 2.643 4.738 381 HD13 LEU 50 HD13 LEU 50 -10.895 3.729 6.076 382 HD21 LEU 50 HD21 LEU 50 -13.739 3.213 4.718 383 HD22 LEU 50 HD22 LEU 50 -14.277 4.894 4.645 384 HD23 LEU 50 HD23 LEU 50 -13.583 4.252 6.142 385 H GLN 51 HN GLN 51 -8.664 5.793 3.181 386 HA GLN 51 HA GLN 51 -9.610 7.354 0.867 387 HB2 GLN 51 HB2 GLN 51 -7.134 5.713 1.411 388 HB3 GLN 51 HB3 GLN 51 -7.432 6.585 -0.095 389 HG2 GLN 51 HG2 GLN 51 -7.657 8.163 2.462 390 HG3 GLN 51 HG3 GLN 51 -6.076 7.604 2.081 391 HE21 GLN 51 HE21 GLN 51 -8.215 10.196 1.618 392 HE22 GLN 51 HE22 GLN 51 -7.463 10.866 0.197 393 H TYR 52 HN TYR 52 -11.298 6.445 -0.145 394 HA TYR 52 HA TYR 52 -11.279 3.537 -0.634 395 HB2 TYR 52 HB2 TYR 52 -13.710 3.660 -0.920 396 HB3 TYR 52 HB3 TYR 52 -13.213 4.154 0.650 397 HD1 TYR 52 HD2 TYR 52 -13.294 6.490 1.398 398 HD2 TYR 52 HD1 TYR 52 -14.860 5.270 -2.447 399 HE1 TYR 52 HE2 TYR 52 -14.576 8.568 1.271 400 HE2 TYR 52 HE1 TYR 52 -16.118 7.386 -2.600 401 HH TYR 52 HH TYR 52 -15.878 9.917 -0.051 402 H GLY 53 HN GLY 53 -13.023 3.394 -2.799 403 HA2 GLY 53 HA2 GLY 53 -12.966 3.423 -5.100 404 HA3 GLY 53 HA1 GLY 53 -12.477 5.108 -4.935 405 H LYS 54 HN LYS 54 -11.197 1.812 -4.861 406 HA LYS 54 HA LYS 54 -8.740 2.483 -6.257 407 HB2 LYS 54 HB2 LYS 54 -7.188 1.818 -4.448 408 HB3 LYS 54 HB3 LYS 54 -7.893 3.419 -4.424 409 HG2 LYS 54 HG2 LYS 54 -7.776 2.513 -2.216 410 HG3 LYS 54 HG3 LYS 54 -9.471 2.788 -2.652 411 HD2 LYS 54 HD2 LYS 54 -9.630 0.413 -3.333 412 HD3 LYS 54 HD3 LYS 54 -7.967 0.169 -2.846 413 HE2 LYS 54 HE2 LYS 54 -10.424 0.459 -1.169 414 HE3 LYS 54 HE3 LYS 54 -9.095 -0.672 -1.001 415 HZ1 LYS 54 HZ1 LYS 54 -7.788 1.245 -0.137 416 HZ2 LYS 54 HZ2 LYS 54 -9.085 0.808 0.787 417 HZ3 LYS 54 HZ3 LYS 54 -9.148 2.167 -0.138 418 H LEU 55 HN LEU 55 -11.117 0.464 -6.224 419 HA LEU 55 HA LEU 55 -9.930 -2.102 -5.934 420 HB2 LEU 55 HB2 LEU 55 -12.460 -1.540 -6.219 421 HB3 LEU 55 HB3 LEU 55 -12.117 -1.287 -7.904 422 HG LEU 55 HG LEU 55 -11.445 -3.665 -8.130 423 HD11 LEU 55 HD11 LEU 55 -11.948 -5.242 -6.272 424 HD12 LEU 55 HD12 LEU 55 -12.225 -3.882 -5.176 425 HD13 LEU 55 HD13 LEU 55 -10.606 -4.154 -5.859 426 HD21 LEU 55 HD21 LEU 55 -13.800 -2.933 -8.418 427 HD22 LEU 55 HD22 LEU 55 -14.128 -3.292 -6.721 428 HD23 LEU 55 HD23 LEU 55 -13.690 -4.597 -7.844 429 H ASN 56 HN ASN 56 -9.895 0.234 -8.587 430 HA ASN 56 HA ASN 56 -8.956 -1.835 -10.469 431 HB2 ASN 56 HB2 ASN 56 -10.045 0.945 -11.026 432 HB3 ASN 56 HB3 ASN 56 -9.768 -0.351 -12.188 433 HD21 ASN 56 HD21 ASN 56 -12.031 0.978 -9.942 434 HD22 ASN 56 HD22 ASN 56 -13.222 -0.317 -9.985 435 H VAL 57 HN VAL 57 -7.341 0.128 -8.499 436 HA VAL 57 HA VAL 57 -5.602 1.809 -9.953 437 HB VAL 57 HB VAL 57 -5.341 0.266 -7.329 438 HG11 VAL 57 HG11 VAL 57 -3.625 2.634 -8.266 439 HG12 VAL 57 HG12 VAL 57 -3.584 1.890 -6.652 440 HG13 VAL 57 HG13 VAL 57 -3.027 0.985 -8.047 441 HG21 VAL 57 HG21 VAL 57 -7.115 1.896 -7.407 442 HG22 VAL 57 HG22 VAL 57 -5.810 2.348 -6.289 443 HG23 VAL 57 HG23 VAL 57 -5.971 3.149 -7.873 444 H GLY 58 HN GLY 58 -3.416 1.630 -10.457 445 HA2 GLY 58 HA2 GLY 58 -2.223 -0.979 -10.357 446 HA3 GLY 58 HA1 GLY 58 -2.187 -0.190 -11.960 447 H LEU 59 HN LEU 59 0.209 -0.549 -11.222 448 HA LEU 59 HA LEU 59 1.255 1.954 -10.030 449 HB2 LEU 59 HB2 LEU 59 1.297 -0.472 -8.702 450 HB3 LEU 59 HB3 LEU 59 2.779 -0.598 -9.639 451 HG LEU 59 HG LEU 59 2.346 2.038 -8.345 452 HD11 LEU 59 HD11 LEU 59 1.348 0.679 -6.629 453 HD12 LEU 59 HD12 LEU 59 2.797 1.577 -6.168 454 HD13 LEU 59 HD13 LEU 59 2.902 -0.182 -6.447 455 HD21 LEU 59 HD21 LEU 59 4.463 1.358 -9.446 456 HD22 LEU 59 HD22 LEU 59 4.705 0.118 -8.210 457 HD23 LEU 59 HD23 LEU 59 4.679 1.853 -7.785 458 H VAL 60 HN VAL 60 3.340 2.407 -10.707 459 HA VAL 60 HA VAL 60 3.623 1.795 -13.600 460 HB VAL 60 HB VAL 60 4.147 4.370 -13.593 461 HG11 VAL 60 HG11 VAL 60 1.352 3.203 -13.269 462 HG12 VAL 60 HG12 VAL 60 1.725 4.758 -14.046 463 HG13 VAL 60 HG13 VAL 60 2.295 3.240 -14.777 464 HG21 VAL 60 HG21 VAL 60 2.263 4.196 -11.200 465 HG22 VAL 60 HG22 VAL 60 3.983 4.669 -11.165 466 HG23 VAL 60 HG23 VAL 60 2.804 5.664 -12.023 467 H GLY 61 HN GLY 61 5.180 2.797 -10.593 468 HA2 GLY 61 HA2 GLY 61 7.766 1.805 -11.594 469 HA3 GLY 61 HA1 GLY 61 7.645 3.572 -11.521 470 H VAL 62 HN VAL 62 9.479 1.955 -10.078 471 HA VAL 62 HA VAL 62 9.181 3.270 -7.661 472 HB VAL 62 HB VAL 62 7.832 1.113 -7.358 473 HG11 VAL 62 HG11 VAL 62 10.465 -0.124 -6.549 474 HG12 VAL 62 HG12 VAL 62 8.865 -0.890 -6.644 475 HG13 VAL 62 HG13 VAL 62 9.712 -0.426 -8.119 476 HG21 VAL 62 HG21 VAL 62 8.256 0.884 -4.968 477 HG22 VAL 62 HG22 VAL 62 9.688 1.936 -5.207 478 HG23 VAL 62 HG23 VAL 62 8.047 2.516 -5.469 479 H GLU 63 HN GLU 63 11.069 3.732 -7.021 480 HA GLU 63 HA GLU 63 13.549 2.245 -7.655 481 HB2 GLU 63 HB2 GLU 63 13.188 5.141 -8.519 482 HB3 GLU 63 HB3 GLU 63 14.727 4.325 -8.440 483 HG2 GLU 63 HG2 GLU 63 13.718 2.545 -9.986 484 HG3 GLU 63 HG3 GLU 63 12.457 3.719 -10.333 485 HA PRO 64 HA PRO 64 14.586 3.561 -3.581 486 HB2 PRO 64 HB2 PRO 64 17.326 3.483 -3.576 487 HB3 PRO 64 HB3 PRO 64 16.277 2.031 -3.621 488 HG2 PRO 64 HG2 PRO 64 17.670 3.384 -5.916 489 HG3 PRO 64 HG3 PRO 64 17.546 1.642 -5.568 490 HD2 PRO 64 HD2 PRO 64 15.895 2.899 -7.371 491 HD3 PRO 64 HD3 PRO 64 15.339 1.525 -6.371 492 H ALA 65 HN ALA 65 15.162 5.308 -2.343 493 HA ALA 65 HA ALA 65 15.755 7.834 -3.783 494 HB1 ALA 65 HB1 ALA 65 13.348 7.560 -3.327 495 HB2 ALA 65 HB2 ALA 65 13.682 7.296 -1.603 496 HB3 ALA 65 HB3 ALA 65 14.038 8.869 -2.349 497 H GLY 66 HN GLY 66 17.430 8.878 -2.925 498 HA2 GLY 66 HA2 GLY 66 19.028 9.654 -1.495 499 HA3 GLY 66 HA1 GLY 66 17.930 9.266 -0.173 500 H GLN 67 HN GLN 67 18.163 6.311 -1.272 501 HA GLN 67 HA GLN 67 19.237 4.426 -0.989 502 HB2 GLN 67 HB2 GLN 67 21.336 5.789 0.529 503 HB3 GLN 67 HB3 GLN 67 21.454 4.226 -0.265 504 HG2 GLN 67 HG2 GLN 67 21.145 6.392 -2.218 505 HG3 GLN 67 HG3 GLN 67 22.362 6.839 -1.047 506 HE21 GLN 67 HE21 GLN 67 23.036 6.537 -3.737 507 HE22 GLN 67 HE22 GLN 67 23.856 4.984 -4.018 508 H TYR 68 HN TYR 68 17.538 6.224 0.899 509 HA TYR 68 HA TYR 68 17.811 4.462 3.294 510 HB2 TYR 68 HB2 TYR 68 17.001 6.577 4.557 511 HB3 TYR 68 HB3 TYR 68 18.663 6.234 4.277 512 HD1 TYR 68 HD1 TYR 68 20.028 7.434 2.598 513 HD2 TYR 68 HD2 TYR 68 16.068 8.684 3.731 514 HE1 TYR 68 HE1 TYR 68 20.510 9.590 1.609 515 HE2 TYR 68 HE2 TYR 68 16.567 10.971 2.790 516 HH TYR 68 HH TYR 68 19.610 11.891 1.199 517 H ALA 69 HN ALA 69 15.861 5.325 0.780 518 HA ALA 69 HA ALA 69 13.393 4.745 2.143 519 HB1 ALA 69 HB1 ALA 69 12.515 7.011 1.635 520 HB2 ALA 69 HB2 ALA 69 14.032 7.163 2.596 521 HB3 ALA 69 HB3 ALA 69 14.068 7.447 0.863 522 H LEU 70 HN LEU 70 11.638 5.040 0.284 523 HA LEU 70 HA LEU 70 12.783 4.259 -2.327 524 HB2 LEU 70 HB2 LEU 70 11.914 2.273 -0.926 525 HB3 LEU 70 HB3 LEU 70 10.330 3.054 -1.004 526 HG LEU 70 HG LEU 70 10.172 2.754 -3.342 527 HD11 LEU 70 HD11 LEU 70 12.613 2.900 -3.877 528 HD12 LEU 70 HD12 LEU 70 11.830 1.569 -4.706 529 HD13 LEU 70 HD13 LEU 70 12.845 1.270 -3.289 530 HD21 LEU 70 HD21 LEU 70 9.454 0.840 -1.972 531 HD22 LEU 70 HD22 LEU 70 11.129 0.193 -1.987 532 HD23 LEU 70 HD23 LEU 70 10.186 0.252 -3.477 533 H LYS 71 HN LYS 71 11.324 4.707 -4.121 534 HA LYS 71 HA LYS 71 9.443 6.896 -3.503 535 HB2 LYS 71 HB2 LYS 71 11.841 7.114 -4.910 536 HB3 LYS 71 HB3 LYS 71 10.694 6.779 -6.176 537 HG2 LYS 71 HG2 LYS 71 10.569 9.140 -5.929 538 HG3 LYS 71 HG3 LYS 71 9.187 8.596 -4.974 539 HD2 LYS 71 HD2 LYS 71 10.786 8.563 -2.948 540 HD3 LYS 71 HD3 LYS 71 11.937 9.425 -3.995 541 HE2 LYS 71 HE2 LYS 71 10.237 11.173 -4.412 542 HE3 LYS 71 HE3 LYS 71 9.117 10.365 -3.301 543 HZ1 LYS 71 HZ1 LYS 71 10.661 10.838 -1.497 544 HZ2 LYS 71 HZ2 LYS 71 10.347 12.202 -2.322 545 HZ3 LYS 71 HZ3 LYS 71 11.766 11.455 -2.582 546 H LEU 72 HN LEU 72 7.493 6.095 -3.639 547 HA LEU 72 HA LEU 72 6.785 4.016 -5.614 548 HB2 LEU 72 HB2 LEU 72 5.828 4.873 -2.937 549 HB3 LEU 72 HB3 LEU 72 4.564 4.741 -4.116 550 HG LEU 72 HG LEU 72 4.624 2.811 -3.092 551 HD11 LEU 72 HD11 LEU 72 6.040 1.823 -5.483 552 HD12 LEU 72 HD12 LEU 72 4.505 2.699 -5.577 553 HD13 LEU 72 HD13 LEU 72 4.609 1.170 -4.651 554 HD21 LEU 72 HD21 LEU 72 6.207 1.068 -2.823 555 HD22 LEU 72 HD22 LEU 72 6.364 2.482 -1.795 556 HD23 LEU 72 HD23 LEU 72 7.485 2.290 -3.177 557 H SER 73 HN SER 73 5.782 4.476 -7.425 558 HA SER 73 HA SER 73 4.355 7.069 -7.743 559 HB2 SER 73 HB2 SER 73 5.764 5.328 -9.837 560 HB3 SER 73 HB3 SER 73 4.673 6.665 -10.184 561 HG SER 73 HG SER 73 6.852 7.234 -8.520 562 H PHE 74 HN PHE 74 2.220 6.554 -7.543 563 HA PHE 74 HA PHE 74 1.237 3.852 -8.352 564 HB2 PHE 74 HB2 PHE 74 -0.432 6.046 -7.121 565 HB3 PHE 74 HB3 PHE 74 -0.665 4.312 -7.023 566 HD1 PHE 74 HD1 PHE 74 1.189 2.982 -5.530 567 HD2 PHE 74 HD2 PHE 74 0.541 7.254 -5.334 568 HE1 PHE 74 HE1 PHE 74 2.196 3.043 -3.300 569 HE2 PHE 74 HE2 PHE 74 1.521 7.280 -3.064 570 HZ PHE 74 HZ PHE 74 2.340 5.182 -2.035 571 H ASP 75 HN ASP 75 -0.365 3.725 -10.002 572 HA ASP 75 HA ASP 75 -0.170 5.853 -11.997 573 HB2 ASP 75 HB2 ASP 75 -0.691 3.605 -12.733 574 HB3 ASP 75 HB3 ASP 75 -2.111 3.565 -11.692 575 H ASP 76 HN ASP 76 -2.539 4.910 -9.557 576 HA ASP 76 HA ASP 76 -4.287 7.227 -10.156 577 HB2 ASP 76 HB2 ASP 76 -5.161 4.846 -9.950 578 HB3 ASP 76 HB3 ASP 76 -4.807 4.974 -8.223 579 H GLY 77 HN GLY 77 -1.726 7.904 -9.090 580 HA2 GLY 77 HA2 GLY 77 -2.584 9.548 -6.956 581 HA3 GLY 77 HA1 GLY 77 -1.586 8.220 -6.309 582 H HIS 78 HN HIS 78 -0.804 10.824 -6.072 583 HA HIS 78 HA HIS 78 0.987 11.653 -8.185 584 HB2 HIS 78 HB2 HIS 78 1.407 13.541 -6.638 585 HB3 HIS 78 HB3 HIS 78 -0.299 13.266 -6.918 586 HD1 HIS 78 HD1 HIS 78 2.312 12.903 -4.124 587 HD2 HIS 78 HD2 HIS 78 -1.825 12.543 -4.842 588 HE1 HIS 78 HE1 HIS 78 1.239 12.551 -1.860 589 H ASP 79 HN ASP 79 3.204 12.493 -7.292 590 HA ASP 79 HA ASP 79 4.678 10.315 -5.887 591 HB2 ASP 79 HB2 ASP 79 6.650 10.955 -7.261 592 HB3 ASP 79 HB3 ASP 79 5.329 10.210 -8.144 593 H SER 80 HN SER 80 4.042 11.560 -3.900 594 HA SER 80 HA SER 80 6.173 13.441 -3.227 595 HB2 SER 80 HB2 SER 80 3.339 14.326 -2.652 596 HB3 SER 80 HB3 SER 80 4.839 15.234 -2.440 597 HG SER 80 HG SER 80 5.032 15.253 -4.749 598 H GLY 81 HN GLY 81 6.916 11.760 -1.842 599 HA2 GLY 81 HA2 GLY 81 5.914 11.937 0.726 600 HA3 GLY 81 HA1 GLY 81 5.222 10.445 0.057 601 H LEU 82 HN LEU 82 6.763 10.454 2.220 602 HA LEU 82 HA LEU 82 9.331 9.154 1.496 603 HB2 LEU 82 HB2 LEU 82 9.597 11.040 2.973 604 HB3 LEU 82 HB3 LEU 82 8.295 10.532 4.031 605 HG LEU 82 HG LEU 82 10.399 8.454 3.768 606 HD11 LEU 82 HD11 LEU 82 11.890 10.358 3.457 607 HD12 LEU 82 HD12 LEU 82 12.154 9.559 5.014 608 HD13 LEU 82 HD13 LEU 82 11.276 11.102 4.946 609 HD21 LEU 82 HD21 LEU 82 9.308 9.988 6.166 610 HD22 LEU 82 HD22 LEU 82 10.272 8.502 6.221 611 HD23 LEU 82 HD23 LEU 82 8.640 8.483 5.511 612 H PHE 83 HN PHE 83 9.474 6.980 2.035 613 HA PHE 83 HA PHE 83 7.351 5.770 3.747 614 HB2 PHE 83 HB2 PHE 83 8.516 4.868 1.118 615 HB3 PHE 83 HB3 PHE 83 8.128 3.671 2.322 616 HD1 PHE 83 HD1 PHE 83 5.813 3.178 3.008 617 HD2 PHE 83 HD2 PHE 83 6.657 6.084 -0.083 618 HE1 PHE 83 HE1 PHE 83 3.416 3.140 2.242 619 HE2 PHE 83 HE2 PHE 83 4.303 6.007 -0.791 620 HZ PHE 83 HZ PHE 83 2.684 4.520 0.416 621 H THR 84 HN THR 84 10.627 6.616 3.649 622 HA THR 84 HA THR 84 12.571 5.728 4.301 623 HB THR 84 HB THR 84 11.476 4.123 6.561 624 HG1 THR 84 HG1 THR 84 9.966 5.807 6.581 625 HG21 THR 84 HG21 THR 84 13.453 6.457 6.371 626 HG22 THR 84 HG22 THR 84 13.902 4.750 6.336 627 HG23 THR 84 HG23 THR 84 13.179 5.432 7.801 628 H TRP 85 HN TRP 85 13.441 3.265 5.297 629 HA TRP 85 HA TRP 85 12.317 1.235 3.421 630 HB2 TRP 85 HB2 TRP 85 14.854 1.393 5.115 631 HB3 TRP 85 HB3 TRP 85 14.324 -0.089 4.355 632 HD1 TRP 85 HD1 TRP 85 16.616 2.540 3.673 633 HE1 TRP 85 HE1 TRP 85 17.176 2.736 1.173 634 HE3 TRP 85 HE3 TRP 85 12.772 -0.250 1.785 635 HZ2 TRP 85 HZ2 TRP 85 16.125 1.681 -1.336 636 HZ3 TRP 85 HZ3 TRP 85 12.620 -0.723 -0.617 637 HH2 TRP 85 HH2 TRP 85 14.280 0.201 -2.191 638 H ASP 86 HN ASP 86 12.644 1.900 6.936 639 HA ASP 86 HA ASP 86 12.184 -0.754 7.711 640 HB2 ASP 86 HB2 ASP 86 12.970 1.400 9.046 641 HB3 ASP 86 HB3 ASP 86 11.278 1.456 9.527 642 H TYR 87 HN TYR 87 9.847 1.895 7.795 643 HA TYR 87 HA TYR 87 7.442 0.631 8.268 644 HB2 TYR 87 HB2 TYR 87 7.835 3.017 8.200 645 HB3 TYR 87 HB3 TYR 87 8.147 2.937 6.484 646 HD1 TYR 87 HD2 TYR 87 5.331 1.517 8.588 647 HD2 TYR 87 HD1 TYR 87 6.517 4.151 5.378 648 HE1 TYR 87 HE2 TYR 87 2.994 1.966 8.117 649 HE2 TYR 87 HE1 TYR 87 4.127 4.606 4.879 650 HH TYR 87 HH TYR 87 1.952 3.750 5.176 651 H LEU 88 HN LEU 88 9.280 0.541 5.158 652 HA LEU 88 HA LEU 88 6.988 -0.380 3.662 653 HB2 LEU 88 HB2 LEU 88 9.921 -0.163 3.115 654 HB3 LEU 88 HB3 LEU 88 9.035 -1.344 2.156 655 HG LEU 88 HG LEU 88 8.087 1.517 2.484 656 HD11 LEU 88 HD11 LEU 88 9.858 0.307 0.322 657 HD12 LEU 88 HD12 LEU 88 10.314 1.570 1.478 658 HD13 LEU 88 HD13 LEU 88 9.078 1.911 0.257 659 HD21 LEU 88 HD21 LEU 88 7.444 -0.609 0.381 660 HD22 LEU 88 HD22 LEU 88 6.840 1.063 0.382 661 HD23 LEU 88 HD23 LEU 88 6.344 -0.052 1.652 662 H TYR 89 HN TYR 89 9.778 -2.099 5.085 663 HA TYR 89 HA TYR 89 8.672 -4.721 4.428 664 HB2 TYR 89 HB2 TYR 89 11.067 -3.607 5.768 665 HB3 TYR 89 HB3 TYR 89 10.495 -5.089 6.449 666 HD1 TYR 89 HD1 TYR 89 9.564 -6.599 3.841 667 HD2 TYR 89 HD2 TYR 89 13.066 -4.301 4.832 668 HE1 TYR 89 HE1 TYR 89 10.832 -7.769 2.172 669 HE2 TYR 89 HE2 TYR 89 14.356 -5.441 3.122 670 HH TYR 89 HH TYR 89 13.253 -8.448 1.794 671 H GLU 90 HN GLU 90 8.268 -2.408 7.048 672 HA GLU 90 HA GLU 90 7.148 -4.235 8.923 673 HB2 GLU 90 HB2 GLU 90 8.057 -1.844 9.214 674 HB3 GLU 90 HB3 GLU 90 6.490 -1.273 8.653 675 HG2 GLU 90 HG2 GLU 90 6.429 -3.346 10.801 676 HG3 GLU 90 HG3 GLU 90 7.285 -1.875 11.223 677 H LEU 91 HN LEU 91 5.552 -1.888 6.695 678 HA LEU 91 HA LEU 91 2.933 -2.790 6.751 679 HB2 LEU 91 HB2 LEU 91 4.630 -1.804 4.420 680 HB3 LEU 91 HB3 LEU 91 2.926 -2.135 4.271 681 HG LEU 91 HG LEU 91 4.058 -0.033 6.148 682 HD11 LEU 91 HD11 LEU 91 2.813 0.211 3.371 683 HD12 LEU 91 HD12 LEU 91 4.523 0.496 3.786 684 HD13 LEU 91 HD13 LEU 91 3.264 1.565 4.414 685 HD21 LEU 91 HD21 LEU 91 1.198 -0.525 5.227 686 HD22 LEU 91 HD22 LEU 91 1.757 0.825 6.219 687 HD23 LEU 91 HD23 LEU 91 1.856 -0.802 6.864 688 H ALA 92 HN ALA 92 5.659 -4.138 4.848 689 HA ALA 92 HA ALA 92 4.383 -5.963 3.250 690 HB1 ALA 92 HB1 ALA 92 6.993 -6.777 4.623 691 HB2 ALA 92 HB2 ALA 92 6.377 -7.140 3.017 692 HB3 ALA 92 HB3 ALA 92 6.897 -5.507 3.375 693 H THR 93 HN THR 93 5.177 -6.468 6.673 694 HA THR 93 HA THR 93 3.801 -9.114 6.575 695 HB THR 93 HB THR 93 6.107 -9.035 7.372 696 HG1 THR 93 HG1 THR 93 4.786 -10.659 8.131 697 HG21 THR 93 HG21 THR 93 6.150 -6.859 8.434 698 HG22 THR 93 HG22 THR 93 6.731 -8.159 9.475 699 HG23 THR 93 HG23 THR 93 5.092 -7.468 9.733 700 H ARG 94 HN ARG 94 3.286 -5.879 7.728 701 HA ARG 94 HA ARG 94 1.267 -6.638 9.722 702 HB2 ARG 94 HB2 ARG 94 2.133 -4.009 8.460 703 HB3 ARG 94 HB3 ARG 94 0.925 -4.110 9.727 704 HG2 ARG 94 HG2 ARG 94 3.700 -5.296 10.184 705 HG3 ARG 94 HG3 ARG 94 3.426 -3.587 10.268 706 HD2 ARG 94 HD2 ARG 94 3.025 -4.076 12.472 707 HD3 ARG 94 HD3 ARG 94 1.399 -4.307 11.879 708 HE ARG 94 HE ARG 94 1.559 -6.575 12.323 709 HH11 ARG 94 HH11 ARG 94 4.819 -5.167 12.735 710 HH12 ARG 94 HH12 ARG 94 5.523 -6.692 13.148 711 HH21 ARG 94 HH21 ARG 94 2.476 -8.461 12.985 712 HH22 ARG 94 HH22 ARG 94 4.174 -8.584 13.431 713 H LYS 95 HN LYS 95 1.320 -6.270 6.348 714 HA LYS 95 HA LYS 95 -0.823 -4.924 5.565 715 HB2 LYS 95 HB2 LYS 95 0.583 -5.868 3.946 716 HB3 LYS 95 HB3 LYS 95 0.461 -7.474 4.603 717 HG2 LYS 95 HG2 LYS 95 -1.928 -7.615 3.680 718 HG3 LYS 95 HG3 LYS 95 -1.635 -6.034 2.946 719 HD2 LYS 95 HD2 LYS 95 -1.064 -7.425 1.200 720 HD3 LYS 95 HD3 LYS 95 0.496 -7.191 1.966 721 HE2 LYS 95 HE2 LYS 95 -1.262 -9.648 1.985 722 HE3 LYS 95 HE3 LYS 95 0.369 -9.460 1.338 723 HZ1 LYS 95 HZ1 LYS 95 0.633 -10.644 3.255 724 HZ2 LYS 95 HZ2 LYS 95 -0.467 -9.802 4.111 725 HZ3 LYS 95 HZ3 LYS 95 1.023 -9.153 3.787 726 H ASP 96 HN ASP 96 -1.176 -8.405 6.389 727 HA ASP 96 HA ASP 96 -3.900 -8.702 5.939 728 HB2 ASP 96 HB2 ASP 96 -2.553 -10.615 6.502 729 HB3 ASP 96 HB3 ASP 96 -2.018 -9.865 7.987 730 H GLN 97 HN GLN 97 -2.346 -7.367 8.862 731 HA GLN 97 HA GLN 97 -4.760 -7.140 10.388 732 HB2 GLN 97 HB2 GLN 97 -2.368 -7.237 11.279 733 HB3 GLN 97 HB3 GLN 97 -2.113 -5.606 10.681 734 HG2 GLN 97 HG2 GLN 97 -2.622 -5.658 13.093 735 HG3 GLN 97 HG3 GLN 97 -3.803 -4.719 12.171 736 HE21 GLN 97 HE21 GLN 97 -5.920 -5.191 12.525 737 HE22 GLN 97 HE22 GLN 97 -6.578 -6.679 13.118 738 H LEU 98 HN LEU 98 -2.742 -4.784 8.641 739 HA LEU 98 HA LEU 98 -4.380 -2.520 9.007 740 HB2 LEU 98 HB2 LEU 98 -2.648 -3.126 6.573 741 HB3 LEU 98 HB3 LEU 98 -3.417 -1.640 6.938 742 HG LEU 98 HG LEU 98 -1.783 -0.837 8.067 743 HD11 LEU 98 HD11 LEU 98 -0.882 -1.710 10.124 744 HD12 LEU 98 HD12 LEU 98 -1.583 -3.314 9.806 745 HD13 LEU 98 HD13 LEU 98 -2.634 -1.904 10.116 746 HD21 LEU 98 HD21 LEU 98 0.412 -2.020 8.127 747 HD22 LEU 98 HD22 LEU 98 -0.361 -1.951 6.530 748 HD23 LEU 98 HD23 LEU 98 -0.396 -3.455 7.474 749 H TRP 99 HN TRP 99 -4.415 -4.960 6.508 750 HA TRP 99 HA TRP 99 -6.167 -3.575 4.815 751 HB2 TRP 99 HB2 TRP 99 -4.555 -5.309 4.118 752 HB3 TRP 99 HB3 TRP 99 -5.506 -6.547 4.954 753 HD1 TRP 99 HD1 TRP 99 -6.825 -7.870 3.286 754 HE1 TRP 99 HE1 TRP 99 -8.079 -7.459 1.119 755 HE3 TRP 99 HE3 TRP 99 -5.942 -2.831 2.870 756 HZ2 TRP 99 HZ2 TRP 99 -8.749 -5.132 -0.550 757 HZ3 TRP 99 HZ3 TRP 99 -6.949 -1.538 1.026 758 HH2 TRP 99 HH2 TRP 99 -8.373 -2.682 -0.673 759 H ALA 100 HN ALA 100 -6.790 -6.259 7.148 760 HA ALA 100 HA ALA 100 -9.574 -6.482 6.614 761 HB1 ALA 100 HB1 ALA 100 -7.899 -6.938 9.112 762 HB2 ALA 100 HB2 ALA 100 -9.577 -7.515 8.923 763 HB3 ALA 100 HB3 ALA 100 -8.289 -8.153 7.871 764 H ASP 101 HN ASP 101 -7.730 -4.414 8.884 765 HA ASP 101 HA ASP 101 -9.847 -3.062 10.187 766 HB2 ASP 101 HB2 ASP 101 -7.236 -3.116 10.508 767 HB3 ASP 101 HB3 ASP 101 -7.226 -1.786 9.373 768 H TYR 102 HN TYR 102 -8.011 -2.205 7.240 769 HA TYR 102 HA TYR 102 -9.534 -0.042 6.329 770 HB2 TYR 102 HB2 TYR 102 -7.374 -1.644 5.328 771 HB3 TYR 102 HB3 TYR 102 -8.563 -1.586 4.062 772 HD1 TYR 102 HD2 TYR 102 -9.540 0.760 3.464 773 HD2 TYR 102 HD1 TYR 102 -5.853 0.150 5.628 774 HE1 TYR 102 HE2 TYR 102 -8.884 3.104 2.985 775 HE2 TYR 102 HE1 TYR 102 -5.291 2.562 5.306 776 HH TYR 102 HH TYR 102 -6.357 4.672 4.834 777 H LEU 103 HN LEU 103 -10.329 -3.527 5.882 778 HA LEU 103 HA LEU 103 -12.450 -2.956 3.972 779 HB2 LEU 103 HB2 LEU 103 -11.782 -5.409 5.659 780 HB3 LEU 103 HB3 LEU 103 -13.329 -5.235 4.865 781 HG LEU 103 HG LEU 103 -12.133 -6.604 3.468 782 HD11 LEU 103 HD11 LEU 103 -11.992 -5.465 1.373 783 HD12 LEU 103 HD12 LEU 103 -11.809 -3.886 2.169 784 HD13 LEU 103 HD13 LEU 103 -13.351 -4.791 2.300 785 HD21 LEU 103 HD21 LEU 103 -9.808 -4.669 3.343 786 HD22 LEU 103 HD22 LEU 103 -9.981 -6.250 2.538 787 HD23 LEU 103 HD23 LEU 103 -9.851 -6.174 4.292 788 H ALA 104 HN ALA 104 -12.358 -3.551 7.512 789 HA ALA 104 HA ALA 104 -15.161 -3.421 7.906 790 HB1 ALA 104 HB1 ALA 104 -12.870 -2.704 9.789 791 HB2 ALA 104 HB2 ALA 104 -14.562 -2.924 10.266 792 HB3 ALA 104 HB3 ALA 104 -13.646 -4.293 9.594 793 H GLU 105 HN GLU 105 -12.663 -0.880 7.983 794 HA GLU 105 HA GLU 105 -14.218 1.392 8.554 795 HB2 GLU 105 HB2 GLU 105 -11.705 0.828 7.001 796 HB3 GLU 105 HB3 GLU 105 -12.469 2.393 6.844 797 HG2 GLU 105 HG2 GLU 105 -12.154 1.498 9.659 798 HG3 GLU 105 HG3 GLU 105 -10.663 1.774 8.773 799 H LEU 106 HN LEU 106 -13.447 -0.023 5.275 800 HA LEU 106 HA LEU 106 -15.111 1.786 3.837 801 HB2 LEU 106 HB2 LEU 106 -13.544 -0.667 3.250 802 HB3 LEU 106 HB3 LEU 106 -15.086 -0.703 2.456 803 HG LEU 106 HG LEU 106 -13.608 0.238 0.845 804 HD11 LEU 106 HD11 LEU 106 -15.870 1.379 1.345 805 HD12 LEU 106 HD12 LEU 106 -14.717 2.167 0.277 806 HD13 LEU 106 HD13 LEU 106 -14.890 2.732 1.944 807 HD21 LEU 106 HD21 LEU 106 -12.158 2.222 1.405 808 HD22 LEU 106 HD22 LEU 106 -11.784 0.824 2.431 809 HD23 LEU 106 HD23 LEU 106 -12.750 2.157 3.055 810 H ALA 107 HN ALA 107 -15.867 -1.193 5.469 811 HA ALA 107 HA ALA 107 -18.442 -1.635 4.265 812 HB1 ALA 107 HB1 ALA 107 -17.144 -3.420 5.440 813 HB2 ALA 107 HB2 ALA 107 -17.433 -2.582 6.976 814 HB3 ALA 107 HB3 ALA 107 -18.799 -3.215 6.045 815 H SER 108 HN SER 108 -17.330 -0.178 7.345 816 HA SER 108 HA SER 108 -19.814 0.643 8.326 817 HB2 SER 108 HB2 SER 108 -17.685 0.570 9.630 818 HB3 SER 108 HB3 SER 108 -17.115 2.000 8.755 819 HG SER 108 HG SER 108 -18.671 1.871 10.895 820 H ALA 109 HN ALA 109 -17.379 2.544 6.498 821 HA ALA 109 HA ALA 109 -18.836 4.942 6.493 822 HB1 ALA 109 HB1 ALA 109 -16.390 4.712 6.127 823 HB2 ALA 109 HB2 ALA 109 -16.697 4.019 4.520 824 HB3 ALA 109 HB3 ALA 109 -17.168 5.695 4.874 825 H GLY 110 HN GLY 110 -19.735 2.201 4.716 826 HA2 GLY 110 HA2 GLY 110 -21.269 1.889 3.037 827 HA3 GLY 110 HA1 GLY 110 -21.810 3.541 3.376 828 H LYS 111 HN LYS 111 -18.608 2.460 2.167 829 HA LYS 111 HA LYS 111 -19.286 3.468 -0.556 830 HB2 LYS 111 HB2 LYS 111 -16.550 3.781 0.696 831 HB3 LYS 111 HB3 LYS 111 -17.050 4.361 -0.860 832 HG2 LYS 111 HG2 LYS 111 -18.180 5.475 1.740 833 HG3 LYS 111 HG3 LYS 111 -16.805 6.128 0.848 834 HD2 LYS 111 HD2 LYS 111 -18.222 6.366 -1.178 835 HD3 LYS 111 HD3 LYS 111 -19.628 5.867 -0.219 836 HE2 LYS 111 HE2 LYS 111 -19.374 7.787 1.258 837 HE3 LYS 111 HE3 LYS 111 -17.808 8.183 0.549 838 HZ1 LYS 111 HZ1 LYS 111 -20.463 8.367 -0.699 839 HZ2 LYS 111 HZ2 LYS 111 -19.079 8.498 -1.590 840 HZ3 LYS 111 HZ3 LYS 111 -19.420 9.618 -0.426 841 H SER 112 HN SER 112 -16.892 2.589 -1.784 842 HA SER 112 HA SER 112 -16.405 -0.166 -0.862 843 HB2 SER 112 HB2 SER 112 -18.483 -0.145 -2.332 844 HB3 SER 112 HB3 SER 112 -17.393 0.390 -3.608 845 HG SER 112 HG SER 112 -17.776 -2.081 -2.449 846 H ARG 113 HN ARG 113 -14.971 -1.214 -2.432 847 HA ARG 113 HA ARG 113 -12.593 0.432 -2.971 848 HB2 ARG 113 HB2 ARG 113 -13.288 -2.444 -3.653 849 HB3 ARG 113 HB3 ARG 113 -11.738 -1.615 -3.992 850 HG2 ARG 113 HG2 ARG 113 -11.809 -1.010 -1.432 851 HG3 ARG 113 HG3 ARG 113 -12.978 -2.315 -1.308 852 HD2 ARG 113 HD2 ARG 113 -10.459 -2.822 -2.805 853 HD3 ARG 113 HD3 ARG 113 -10.317 -2.565 -1.052 854 HE ARG 113 HE ARG 113 -12.044 -4.333 -0.845 855 HH11 ARG 113 HH11 ARG 113 -9.361 -4.429 -3.169 856 HH12 ARG 113 HH12 ARG 113 -9.682 -6.042 -3.719 857 HH21 ARG 113 HH21 ARG 113 -12.469 -6.512 -1.497 858 HH22 ARG 113 HH22 ARG 113 -11.337 -7.366 -2.504 859 H ASP 114 HN ASP 114 -15.422 -0.664 -4.707 860 HA ASP 114 HA ASP 114 -14.326 0.524 -7.233 861 HB2 ASP 114 HB2 ASP 114 -16.343 -1.423 -6.790 862 HB3 ASP 114 HB3 ASP 114 -17.164 0.054 -7.288 863 HA PRO 115 HA PRO 115 -15.660 4.412 -5.887 864 HB2 PRO 115 HB2 PRO 115 -16.363 5.725 -8.231 865 HB3 PRO 115 HB3 PRO 115 -14.683 5.415 -7.707 866 HG2 PRO 115 HG2 PRO 115 -16.373 3.842 -9.647 867 HG3 PRO 115 HG3 PRO 115 -14.647 4.301 -9.813 868 HD2 PRO 115 HD2 PRO 115 -15.489 1.836 -9.022 869 HD3 PRO 115 HD3 PRO 115 -13.998 2.544 -8.361 870 H ASP 116 HN ASP 116 -17.898 2.809 -8.131 871 HA ASP 116 HA ASP 116 -20.176 3.913 -6.567 872 HB2 ASP 116 HB2 ASP 116 -19.603 5.139 -8.772 873 HB3 ASP 116 HB3 ASP 116 -20.279 3.739 -9.593 874 H GLU 117 HN GLU 117 -19.638 1.749 -5.664 875 HA GLU 117 HA GLU 117 -20.386 -0.573 -7.195 876 HB2 GLU 117 HB2 GLU 117 -18.407 -0.001 -5.474 877 HB3 GLU 117 HB3 GLU 117 -19.566 -0.619 -4.303 878 HG2 GLU 117 HG2 GLU 117 -18.659 -2.069 -6.809 879 HG3 GLU 117 HG3 GLU 117 -17.927 -2.319 -5.221 880 H SER 118 HN SER 118 -22.228 -1.840 -6.859 881 HA SER 118 HA SER 118 -24.007 -1.580 -4.576 882 HB2 SER 118 HB2 SER 118 -24.883 -0.658 -7.323 883 HB3 SER 118 HB3 SER 118 -25.977 -1.057 -5.996 884 HG SER 118 HG SER 118 -25.731 1.001 -5.590 885 H VAL 119 HN VAL 119 -23.474 -3.781 -4.348 886 HA VAL 119 HA VAL 119 -25.297 -5.479 -5.835 887 HB VAL 119 HB VAL 119 -23.100 -5.527 -7.074 888 HG11 VAL 119 HG11 VAL 119 -21.157 -6.632 -6.058 889 HG12 VAL 119 HG12 VAL 119 -21.651 -5.231 -5.103 890 HG13 VAL 119 HG13 VAL 119 -22.055 -6.808 -4.519 891 HG21 VAL 119 HG21 VAL 119 -23.612 -8.265 -5.897 892 HG22 VAL 119 HG22 VAL 119 -24.701 -7.481 -7.067 893 HG23 VAL 119 HG23 VAL 119 -23.031 -7.801 -7.517 894 H VAL 120 HN VAL 120 -25.460 -7.581 -4.773 895 HA VAL 120 HA VAL 120 -25.015 -7.556 -1.844 896 HB VAL 120 HB VAL 120 -26.629 -9.531 -2.051 897 HG11 VAL 120 HG11 VAL 120 -28.572 -8.025 -2.033 898 HG12 VAL 120 HG12 VAL 120 -27.214 -7.306 -1.156 899 HG13 VAL 120 HG13 VAL 120 -27.610 -6.740 -2.793 900 HG21 VAL 120 HG21 VAL 120 -28.170 -9.623 -3.904 901 HG22 VAL 120 HG22 VAL 120 -27.361 -8.304 -4.749 902 HG23 VAL 120 HG23 VAL 120 -26.548 -9.874 -4.542 903 H LYS 121 HN LYS 121 -22.706 -7.928 -2.069 904 HA LYS 121 HA LYS 121 -21.988 -10.661 -3.070 905 HB2 LYS 121 HB2 LYS 121 -20.295 -8.237 -2.433 906 HB3 LYS 121 HB3 LYS 121 -19.603 -9.842 -2.564 907 HG2 LYS 121 HG2 LYS 121 -21.352 -8.770 -4.789 908 HG3 LYS 121 HG3 LYS 121 -19.659 -8.259 -4.658 909 HD2 LYS 121 HD2 LYS 121 -19.009 -10.655 -4.757 910 HD3 LYS 121 HD3 LYS 121 -20.694 -11.101 -5.026 911 HE2 LYS 121 HE2 LYS 121 -19.036 -9.252 -6.794 912 HE3 LYS 121 HE3 LYS 121 -19.331 -10.951 -7.144 913 HZ1 LYS 121 HZ1 LYS 121 -21.470 -8.942 -6.912 914 HZ2 LYS 121 HZ2 LYS 121 -21.620 -10.481 -7.516 915 HZ3 LYS 121 HZ3 LYS 121 -20.768 -9.324 -8.316 916 H LEU 122 HN LEU 122 -20.700 -8.787 -0.237 917 HA LEU 122 HA LEU 122 -22.015 -10.460 1.641 918 HB2 LEU 122 HB2 LEU 122 -20.193 -11.981 0.525 919 HB3 LEU 122 HB3 LEU 122 -19.029 -10.987 1.394 920 HG LEU 122 HG LEU 122 -19.755 -11.829 3.511 921 HD11 LEU 122 HD11 LEU 122 -21.652 -13.471 3.691 922 HD12 LEU 122 HD12 LEU 122 -22.113 -13.065 2.030 923 HD13 LEU 122 HD13 LEU 122 -22.178 -11.837 3.313 924 HD21 LEU 122 HD21 LEU 122 -19.785 -14.086 1.464 925 HD22 LEU 122 HD22 LEU 122 -19.469 -14.269 3.187 926 HD23 LEU 122 HD23 LEU 122 -18.338 -13.338 2.181 927 H MET 123 HN MET 123 -20.898 -10.181 3.866 928 HA MET 123 HA MET 123 -18.824 -8.173 4.011 929 HB2 MET 123 HB2 MET 123 -20.915 -6.808 4.443 930 HB3 MET 123 HB3 MET 123 -21.239 -7.840 5.843 931 HG2 MET 123 HG2 MET 123 -18.853 -7.217 6.630 932 HG3 MET 123 HG3 MET 123 -18.865 -5.993 5.377 933 HE1 MET 123 HE1 MET 123 -18.079 -4.799 7.822 934 HE2 MET 123 HE2 MET 123 -19.247 -4.429 9.110 935 HE3 MET 123 HE3 MET 123 -18.702 -6.100 8.846 936 H LEU 124 HN LEU 124 -21.038 -10.291 5.980 937 HA LEU 124 HA LEU 124 -18.678 -11.439 7.344 938 HB2 LEU 124 HB2 LEU 124 -21.181 -10.315 8.667 939 HB3 LEU 124 HB3 LEU 124 -19.954 -11.282 9.480 940 HG LEU 124 HG LEU 124 -19.320 -8.593 8.226 941 HD11 LEU 124 HD11 LEU 124 -20.976 -8.272 9.966 942 HD12 LEU 124 HD12 LEU 124 -19.395 -7.735 10.550 943 HD13 LEU 124 HD13 LEU 124 -20.028 -9.316 11.074 944 HD21 LEU 124 HD21 LEU 124 -17.362 -10.082 8.552 945 HD22 LEU 124 HD22 LEU 124 -17.825 -10.333 10.248 946 HD23 LEU 124 HD23 LEU 124 -17.316 -8.728 9.679 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 22.803 -0.550 11.496 2 HA2 GLY 1 HA2 GLY 1 22.676 0.156 9.123 3 HA3 GLY 1 HA1 GLY 1 22.710 -1.613 9.323 4 H MET 2 HN MET 2 21.235 0.621 7.503 5 HA MET 2 HA MET 2 18.453 0.251 8.088 6 HB2 MET 2 HB2 MET 2 19.969 1.355 5.687 7 HB3 MET 2 HB3 MET 2 18.210 1.181 5.690 8 HG2 MET 2 HG2 MET 2 18.585 3.378 6.376 9 HG3 MET 2 HG3 MET 2 18.111 2.497 7.803 10 HE1 MET 2 HE1 MET 2 21.552 3.255 5.873 11 HE2 MET 2 HE2 MET 2 20.701 4.791 6.163 12 HE3 MET 2 HE3 MET 2 22.217 4.441 7.013 13 H ARG 3 HN ARG 3 16.896 -0.878 7.087 14 HA ARG 3 HA ARG 3 17.591 -3.425 5.773 15 HB2 ARG 3 HB2 ARG 3 14.938 -2.055 6.404 16 HB3 ARG 3 HB3 ARG 3 15.073 -3.612 5.592 17 HG2 ARG 3 HG2 ARG 3 16.138 -3.172 8.388 18 HG3 ARG 3 HG3 ARG 3 14.476 -3.647 8.005 19 HD2 ARG 3 HD2 ARG 3 15.527 -5.652 8.455 20 HD3 ARG 3 HD3 ARG 3 15.381 -5.604 6.694 21 HE ARG 3 HE ARG 3 17.918 -4.580 7.725 22 HH11 ARG 3 HH11 ARG 3 16.192 -7.648 7.291 23 HH12 ARG 3 HH12 ARG 3 17.609 -8.612 7.340 24 HH21 ARG 3 HH21 ARG 3 19.826 -5.821 7.633 25 HH22 ARG 3 HH22 ARG 3 19.705 -7.556 7.437 26 H ILE 4 HN ILE 4 18.808 -2.360 4.020 27 HA ILE 4 HA ILE 4 17.172 -0.768 2.130 28 HB ILE 4 HB ILE 4 20.075 -1.605 1.874 29 HG12 ILE 4 HG12 ILE 4 18.767 0.991 2.840 30 HG13 ILE 4 HG13 ILE 4 19.687 -0.147 3.825 31 HG21 ILE 4 HG21 ILE 4 20.136 0.106 0.089 32 HG22 ILE 4 HG22 ILE 4 18.934 -1.108 -0.309 33 HG23 ILE 4 HG23 ILE 4 18.409 0.463 0.331 34 HD11 ILE 4 HD11 ILE 4 20.768 1.676 1.686 35 HD12 ILE 4 HD12 ILE 4 21.147 1.574 3.425 36 HD13 ILE 4 HD13 ILE 4 21.670 0.277 2.333 37 HA PRO 5 HA PRO 5 15.984 -4.666 0.448 38 HB2 PRO 5 HB2 PRO 5 14.824 -3.879 -1.966 39 HB3 PRO 5 HB3 PRO 5 14.024 -3.669 -0.380 40 HG2 PRO 5 HG2 PRO 5 15.688 -1.658 -1.897 41 HG3 PRO 5 HG3 PRO 5 14.066 -1.457 -1.139 42 HD2 PRO 5 HD2 PRO 5 16.325 -0.641 0.089 43 HD3 PRO 5 HD3 PRO 5 15.034 -1.446 1.039 44 H SER 6 HN SER 6 16.447 -6.183 -1.139 45 HA SER 6 HA SER 6 18.415 -5.439 -3.232 46 HB2 SER 6 HB2 SER 6 19.127 -6.914 -1.184 47 HB3 SER 6 HB3 SER 6 18.284 -8.216 -2.035 48 HG SER 6 HG SER 6 20.056 -6.604 -3.506 49 H ALA 7 HN ALA 7 15.265 -6.107 -2.760 50 HA ALA 7 HA ALA 7 15.014 -6.838 -5.575 51 HB1 ALA 7 HB1 ALA 7 14.505 -8.980 -4.369 52 HB2 ALA 7 HB2 ALA 7 13.275 -8.117 -3.413 53 HB3 ALA 7 HB3 ALA 7 13.081 -8.279 -5.165 54 H ILE 8 HN ILE 8 13.600 -5.496 -6.509 55 HA ILE 8 HA ILE 8 11.561 -4.052 -4.945 56 HB ILE 8 HB ILE 8 13.166 -2.796 -7.191 57 HG12 ILE 8 HG12 ILE 8 14.649 -2.890 -5.236 58 HG13 ILE 8 HG13 ILE 8 14.265 -1.284 -5.835 59 HG21 ILE 8 HG21 ILE 8 10.852 -2.037 -7.090 60 HG22 ILE 8 HG22 ILE 8 10.993 -1.760 -5.367 61 HG23 ILE 8 HG23 ILE 8 11.904 -0.734 -6.499 62 HD11 ILE 8 HD11 ILE 8 12.596 -1.013 -3.999 63 HD12 ILE 8 HD12 ILE 8 13.118 -2.579 -3.344 64 HD13 ILE 8 HD13 ILE 8 14.252 -1.198 -3.481 65 H GLN 9 HN GLN 9 10.329 -5.889 -5.693 66 HA GLN 9 HA GLN 9 10.091 -6.268 -8.629 67 HB2 GLN 9 HB2 GLN 9 9.381 -7.894 -6.213 68 HB3 GLN 9 HB3 GLN 9 8.266 -7.917 -7.584 69 HG2 GLN 9 HG2 GLN 9 10.310 -8.445 -9.048 70 HG3 GLN 9 HG3 GLN 9 11.126 -8.859 -7.528 71 HE21 GLN 9 HE21 GLN 9 9.973 -10.584 -6.194 72 HE22 GLN 9 HE22 GLN 9 9.032 -11.822 -7.002 73 H LEU 10 HN LEU 10 8.659 -4.949 -9.655 74 HA LEU 10 HA LEU 10 6.499 -3.724 -8.036 75 HB2 LEU 10 HB2 LEU 10 6.555 -1.945 -9.387 76 HB3 LEU 10 HB3 LEU 10 8.257 -2.371 -9.395 77 HG LEU 10 HG LEU 10 6.250 -2.905 -11.641 78 HD11 LEU 10 HD11 LEU 10 7.502 -1.129 -12.806 79 HD12 LEU 10 HD12 LEU 10 8.460 -0.836 -11.339 80 HD13 LEU 10 HD13 LEU 10 6.700 -0.540 -11.347 81 HD21 LEU 10 HD21 LEU 10 8.245 -3.386 -13.017 82 HD22 LEU 10 HD22 LEU 10 7.975 -4.541 -11.716 83 HD23 LEU 10 HD23 LEU 10 9.253 -3.312 -11.549 84 H HIS 11 HN HIS 11 6.891 -6.360 -9.955 85 HA HIS 11 HA HIS 11 5.669 -7.611 -11.380 86 HB2 HIS 11 HB2 HIS 11 3.639 -7.015 -9.238 87 HB3 HIS 11 HB3 HIS 11 3.472 -8.281 -10.443 88 HD1 HIS 11 HD1 HIS 11 4.536 -10.602 -9.826 89 HD2 HIS 11 HD2 HIS 11 5.801 -7.343 -7.457 90 HE1 HIS 11 HE1 HIS 11 6.156 -11.534 -8.103 91 H LYS 12 HN LYS 12 5.898 -5.627 -13.020 92 HA LYS 12 HA LYS 12 3.800 -3.895 -13.279 93 HB2 LYS 12 HB2 LYS 12 6.236 -4.481 -14.659 94 HB3 LYS 12 HB3 LYS 12 4.985 -4.430 -15.894 95 HG2 LYS 12 HG2 LYS 12 5.545 -2.264 -13.819 96 HG3 LYS 12 HG3 LYS 12 6.060 -2.271 -15.496 97 HD2 LYS 12 HD2 LYS 12 3.587 -2.319 -16.173 98 HD3 LYS 12 HD3 LYS 12 3.186 -2.195 -14.461 99 HE2 LYS 12 HE2 LYS 12 3.017 -0.026 -14.956 100 HE3 LYS 12 HE3 LYS 12 4.730 -0.060 -14.498 101 HZ1 LYS 12 HZ1 LYS 12 5.280 -0.127 -16.854 102 HZ2 LYS 12 HZ2 LYS 12 4.268 1.128 -16.566 103 HZ3 LYS 12 HZ3 LYS 12 3.684 -0.221 -17.275 104 H ALA 13 HN ALA 13 3.618 -7.198 -14.133 105 HA ALA 13 HA ALA 13 1.351 -6.931 -15.953 106 HB1 ALA 13 HB1 ALA 13 2.754 -8.949 -15.969 107 HB2 ALA 13 HB2 ALA 13 2.384 -9.250 -14.267 108 HB3 ALA 13 HB3 ALA 13 1.096 -9.339 -15.492 109 H SER 14 HN SER 14 1.134 -8.647 -12.798 110 HA SER 14 HA SER 14 -1.509 -7.674 -12.537 111 HB2 SER 14 HB2 SER 14 -0.071 -9.366 -10.525 112 HB3 SER 14 HB3 SER 14 -1.772 -9.392 -10.981 113 HG SER 14 HG SER 14 -0.579 -11.124 -11.796 114 H LYS 15 HN LYS 15 1.067 -5.929 -11.628 115 HA LYS 15 HA LYS 15 1.282 -4.058 -10.362 116 HB2 LYS 15 HB2 LYS 15 -1.735 -4.345 -10.320 117 HB3 LYS 15 HB3 LYS 15 -0.915 -2.920 -9.737 118 HG2 LYS 15 HG2 LYS 15 -0.310 -2.175 -11.810 119 HG3 LYS 15 HG3 LYS 15 -0.148 -3.763 -12.516 120 HD2 LYS 15 HD2 LYS 15 -2.249 -3.806 -13.316 121 HD3 LYS 15 HD3 LYS 15 -2.931 -3.286 -11.788 122 HE2 LYS 15 HE2 LYS 15 -3.512 -1.517 -13.152 123 HE3 LYS 15 HE3 LYS 15 -2.042 -0.946 -12.333 124 HZ1 LYS 15 HZ1 LYS 15 -0.799 -1.603 -14.333 125 HZ2 LYS 15 HZ2 LYS 15 -1.953 -0.438 -14.631 126 HZ3 LYS 15 HZ3 LYS 15 -2.175 -2.009 -15.085 127 H THR 16 HN THR 16 2.255 -5.880 -8.926 128 HA THR 16 HA THR 16 1.161 -5.587 -6.169 129 HB THR 16 HB THR 16 2.701 -7.914 -7.387 130 HG1 THR 16 HG1 THR 16 -0.061 -7.829 -6.708 131 HG21 THR 16 HG21 THR 16 2.074 -9.159 -5.386 132 HG22 THR 16 HG22 THR 16 1.310 -7.701 -4.708 133 HG23 THR 16 HG23 THR 16 3.066 -7.760 -4.975 134 H LEU 17 HN LEU 17 2.680 -4.946 -4.645 135 HA LEU 17 HA LEU 17 5.448 -4.319 -5.528 136 HB2 LEU 17 HB2 LEU 17 4.272 -2.569 -4.131 137 HB3 LEU 17 HB3 LEU 17 3.878 -3.782 -2.986 138 HG LEU 17 HG LEU 17 6.004 -2.121 -2.779 139 HD11 LEU 17 HD11 LEU 17 4.848 -3.282 -1.154 140 HD12 LEU 17 HD12 LEU 17 6.577 -3.221 -0.876 141 HD13 LEU 17 HD13 LEU 17 5.825 -4.742 -1.467 142 HD21 LEU 17 HD21 LEU 17 7.221 -3.352 -4.694 143 HD22 LEU 17 HD22 LEU 17 7.715 -4.380 -3.314 144 HD23 LEU 17 HD23 LEU 17 8.005 -2.661 -3.267 145 H THR 18 HN THR 18 7.032 -5.764 -4.957 146 HA THR 18 HA THR 18 6.486 -7.486 -2.646 147 HB THR 18 HB THR 18 7.576 -8.433 -5.315 148 HG1 THR 18 HG1 THR 18 5.749 -9.269 -5.666 149 HG21 THR 18 HG21 THR 18 7.159 -10.103 -2.817 150 HG22 THR 18 HG22 THR 18 8.733 -9.627 -3.476 151 HG23 THR 18 HG23 THR 18 7.656 -10.677 -4.417 152 H LEU 19 HN LEU 19 8.122 -7.981 -1.369 153 HA LEU 19 HA LEU 19 10.709 -6.571 -1.810 154 HB2 LEU 19 HB2 LEU 19 8.845 -6.498 0.615 155 HB3 LEU 19 HB3 LEU 19 10.468 -5.919 0.651 156 HG LEU 19 HG LEU 19 8.262 -4.686 -1.107 157 HD11 LEU 19 HD11 LEU 19 7.946 -4.212 1.260 158 HD12 LEU 19 HD12 LEU 19 8.578 -2.775 0.454 159 HD13 LEU 19 HD13 LEU 19 9.657 -3.777 1.453 160 HD21 LEU 19 HD21 LEU 19 9.910 -2.984 -1.520 161 HD22 LEU 19 HD22 LEU 19 10.455 -4.498 -2.205 162 HD23 LEU 19 HD23 LEU 19 11.180 -3.896 -0.687 163 H ARG 20 HN ARG 20 12.299 -7.223 -0.306 164 HA ARG 20 HA ARG 20 12.116 -10.080 0.560 165 HB2 ARG 20 HB2 ARG 20 13.434 -9.636 -1.532 166 HB3 ARG 20 HB3 ARG 20 14.547 -8.642 -0.575 167 HG2 ARG 20 HG2 ARG 20 14.773 -10.799 0.932 168 HG3 ARG 20 HG3 ARG 20 13.958 -11.618 -0.400 169 HD2 ARG 20 HD2 ARG 20 16.138 -11.939 -0.946 170 HD3 ARG 20 HD3 ARG 20 15.831 -10.485 -1.895 171 HE ARG 20 HE ARG 20 16.804 -9.421 0.386 172 HH11 ARG 20 HH11 ARG 20 17.982 -12.305 -1.326 173 HH12 ARG 20 HH12 ARG 20 19.552 -12.280 -0.607 174 HH21 ARG 20 HH21 ARG 20 18.780 -9.341 1.302 175 HH22 ARG 20 HH22 ARG 20 20.007 -10.570 1.085 176 H TYR 21 HN TYR 21 11.557 -9.346 2.746 177 HA TYR 21 HA TYR 21 13.141 -7.668 4.396 178 HB2 TYR 21 HB2 TYR 21 10.711 -8.183 4.662 179 HB3 TYR 21 HB3 TYR 21 11.126 -9.836 5.067 180 HD1 TYR 21 HD1 TYR 21 11.200 -6.269 6.314 181 HD2 TYR 21 HD2 TYR 21 11.788 -10.443 7.302 182 HE1 TYR 21 HE1 TYR 21 11.606 -5.642 8.622 183 HE2 TYR 21 HE2 TYR 21 12.101 -9.818 9.664 184 HH TYR 21 HH TYR 21 12.579 -8.075 11.092 185 H GLY 22 HN GLY 22 15.217 -8.654 3.608 186 HA2 GLY 22 HA2 GLY 22 17.183 -9.606 4.277 187 HA3 GLY 22 HA1 GLY 22 16.388 -10.285 5.702 188 H GLU 23 HN GLU 23 15.420 -12.261 5.572 189 HA GLU 23 HA GLU 23 16.227 -13.997 3.284 190 HB2 GLU 23 HB2 GLU 23 16.589 -15.687 4.620 191 HB3 GLU 23 HB3 GLU 23 16.921 -14.397 5.755 192 HG2 GLU 23 HG2 GLU 23 14.879 -14.704 6.921 193 HG3 GLU 23 HG3 GLU 23 14.210 -15.624 5.562 194 H ASP 24 HN ASP 24 13.462 -12.488 4.550 195 HA ASP 24 HA ASP 24 11.657 -14.656 3.603 196 HB2 ASP 24 HB2 ASP 24 11.518 -12.826 5.816 197 HB3 ASP 24 HB3 ASP 24 10.277 -12.333 4.692 198 H SER 25 HN SER 25 9.720 -14.055 2.267 199 HA SER 25 HA SER 25 10.089 -11.655 0.591 200 HB2 SER 25 HB2 SER 25 8.934 -13.594 -1.027 201 HB3 SER 25 HB3 SER 25 10.616 -13.027 -1.044 202 HG SER 25 HG SER 25 10.566 -15.225 -1.021 203 H TYR 26 HN TYR 26 8.362 -10.317 0.678 204 HA TYR 26 HA TYR 26 5.680 -11.555 1.075 205 HB2 TYR 26 HB2 TYR 26 6.613 -8.900 2.208 206 HB3 TYR 26 HB3 TYR 26 5.071 -9.673 2.468 207 HD1 TYR 26 HD1 TYR 26 5.347 -12.255 3.428 208 HD2 TYR 26 HD2 TYR 26 8.171 -9.051 3.875 209 HE1 TYR 26 HE1 TYR 26 6.167 -13.305 5.497 210 HE2 TYR 26 HE2 TYR 26 9.058 -10.142 5.977 211 HH TYR 26 HH TYR 26 7.663 -13.152 7.274 212 H ASP 27 HN ASP 27 4.107 -10.765 -0.131 213 HA ASP 27 HA ASP 27 4.670 -8.842 -2.307 214 HB2 ASP 27 HB2 ASP 27 3.236 -10.391 -3.681 215 HB3 ASP 27 HB3 ASP 27 4.825 -10.997 -3.243 216 H LEU 28 HN LEU 28 3.539 -7.068 -1.706 217 HA LEU 28 HA LEU 28 0.827 -7.469 -0.565 218 HB2 LEU 28 HB2 LEU 28 2.043 -4.775 -0.559 219 HB3 LEU 28 HB3 LEU 28 1.052 -5.569 0.639 220 HG LEU 28 HG LEU 28 4.038 -5.777 0.185 221 HD11 LEU 28 HD11 LEU 28 4.191 -4.805 2.385 222 HD12 LEU 28 HD12 LEU 28 2.440 -5.001 2.627 223 HD13 LEU 28 HD13 LEU 28 3.069 -3.842 1.428 224 HD21 LEU 28 HD21 LEU 28 3.980 -7.199 2.398 225 HD22 LEU 28 HD22 LEU 28 3.717 -8.007 0.880 226 HD23 LEU 28 HD23 LEU 28 2.330 -7.590 1.902 227 HA PRO 29 HA PRO 29 -0.772 -5.981 -4.408 228 HB2 PRO 29 HB2 PRO 29 -3.323 -5.293 -3.720 229 HB3 PRO 29 HB3 PRO 29 -2.746 -6.972 -3.679 230 HG2 PRO 29 HG2 PRO 29 -2.920 -5.052 -1.371 231 HG3 PRO 29 HG3 PRO 29 -3.529 -6.728 -1.448 232 HD2 PRO 29 HD2 PRO 29 -1.113 -6.151 -0.310 233 HD3 PRO 29 HD3 PRO 29 -1.323 -7.609 -1.317 234 H ALA 30 HN ALA 30 -1.653 -4.006 -5.571 235 HA ALA 30 HA ALA 30 -0.548 -1.575 -4.503 236 HB1 ALA 30 HB1 ALA 30 -0.661 -2.012 -6.863 237 HB2 ALA 30 HB2 ALA 30 -2.445 -1.982 -6.830 238 HB3 ALA 30 HB3 ALA 30 -1.507 -0.513 -6.450 239 H GLU 31 HN GLU 31 -3.773 -3.109 -4.377 240 HA GLU 31 HA GLU 31 -5.175 -0.878 -3.361 241 HB2 GLU 31 HB2 GLU 31 -6.931 -2.391 -2.882 242 HB3 GLU 31 HB3 GLU 31 -6.090 -3.091 -4.251 243 HG2 GLU 31 HG2 GLU 31 -4.751 -4.361 -2.327 244 HG3 GLU 31 HG3 GLU 31 -6.151 -3.973 -1.370 245 H PHE 32 HN PHE 32 -2.797 -2.888 -1.720 246 HA PHE 32 HA PHE 32 -3.725 -2.425 1.002 247 HB2 PHE 32 HB2 PHE 32 -2.496 -4.409 0.658 248 HB3 PHE 32 HB3 PHE 32 -1.194 -3.585 -0.201 249 HD1 PHE 32 HD1 PHE 32 -2.637 -4.384 3.107 250 HD2 PHE 32 HD2 PHE 32 0.695 -2.420 1.078 251 HE1 PHE 32 HE1 PHE 32 -1.329 -4.380 5.185 252 HE2 PHE 32 HE2 PHE 32 1.951 -2.530 3.167 253 HZ PHE 32 HZ PHE 32 1.005 -3.499 5.171 254 H LEU 33 HN LEU 33 -0.605 -1.396 -0.576 255 HA LEU 33 HA LEU 33 -0.035 0.523 1.382 256 HB2 LEU 33 HB2 LEU 33 0.703 0.348 -1.515 257 HB3 LEU 33 HB3 LEU 33 1.413 1.510 -0.407 258 HG LEU 33 HG LEU 33 2.859 -0.108 -0.529 259 HD11 LEU 33 HD11 LEU 33 1.521 -0.675 2.031 260 HD12 LEU 33 HD12 LEU 33 2.664 0.534 1.633 261 HD13 LEU 33 HD13 LEU 33 3.192 -1.160 1.601 262 HD21 LEU 33 HD21 LEU 33 1.007 -2.245 -1.004 263 HD22 LEU 33 HD22 LEU 33 2.655 -2.548 -0.377 264 HD23 LEU 33 HD23 LEU 33 2.444 -1.650 -1.855 265 H ARG 34 HN ARG 34 -1.923 0.957 -1.569 266 HA ARG 34 HA ARG 34 -2.363 3.650 -1.495 267 HB2 ARG 34 HB2 ARG 34 -3.538 2.472 -3.152 268 HB3 ARG 34 HB3 ARG 34 -4.354 1.437 -1.988 269 HG2 ARG 34 HG2 ARG 34 -5.908 3.039 -2.982 270 HG3 ARG 34 HG3 ARG 34 -5.787 3.263 -1.246 271 HD2 ARG 34 HD2 ARG 34 -3.841 5.016 -2.279 272 HD3 ARG 34 HD3 ARG 34 -5.146 5.103 -3.449 273 HE ARG 34 HE ARG 34 -6.387 5.382 -0.949 274 HH11 ARG 34 HH11 ARG 34 -3.869 7.137 -2.858 275 HH12 ARG 34 HH12 ARG 34 -3.984 8.550 -1.919 276 HH21 ARG 34 HH21 ARG 34 -6.515 7.467 0.310 277 HH22 ARG 34 HH22 ARG 34 -5.510 8.737 -0.262 278 H VAL 35 HN VAL 35 -4.033 1.358 0.843 279 HA VAL 35 HA VAL 35 -5.414 3.626 2.064 280 HB VAL 35 HB VAL 35 -6.189 2.063 3.768 281 HG11 VAL 35 HG11 VAL 35 -6.548 0.947 0.956 282 HG12 VAL 35 HG12 VAL 35 -7.668 0.799 2.331 283 HG13 VAL 35 HG13 VAL 35 -7.379 2.384 1.605 284 HG21 VAL 35 HG21 VAL 35 -4.202 0.425 3.680 285 HG22 VAL 35 HG22 VAL 35 -5.832 -0.263 3.772 286 HG23 VAL 35 HG23 VAL 35 -4.985 -0.254 2.235 287 H HIS 36 HN HIS 36 -2.249 2.294 2.370 288 HA HIS 36 HA HIS 36 -1.862 3.538 5.026 289 HB2 HIS 36 HB2 HIS 36 -1.268 0.957 4.129 290 HB3 HIS 36 HB3 HIS 36 0.258 1.764 3.976 291 HD1 HIS 36 HD1 HIS 36 0.822 3.263 6.555 292 HD2 HIS 36 HD2 HIS 36 -1.766 -0.074 6.421 293 HE1 HIS 36 HE1 HIS 36 0.548 2.460 8.935 294 H SER 37 HN SER 37 -1.594 4.632 1.944 295 HA SER 37 HA SER 37 1.063 5.472 1.764 296 HB2 SER 37 HB2 SER 37 0.529 6.216 -0.314 297 HB3 SER 37 HB3 SER 37 -0.441 4.808 -0.091 298 HG SER 37 HG SER 37 -1.331 6.758 -1.097 299 HA PRO 38 HA PRO 38 -0.159 8.711 4.654 300 HB2 PRO 38 HB2 PRO 38 1.978 8.843 6.233 301 HB3 PRO 38 HB3 PRO 38 1.120 7.289 6.028 302 HG2 PRO 38 HG2 PRO 38 3.674 8.187 4.633 303 HG3 PRO 38 HG3 PRO 38 3.342 6.649 5.462 304 HD2 PRO 38 HD2 PRO 38 2.960 7.215 2.684 305 HD3 PRO 38 HD3 PRO 38 2.321 5.807 3.545 306 H SER 39 HN SER 39 0.069 9.751 2.365 307 HA SER 39 HA SER 39 0.551 11.490 0.991 308 HB2 SER 39 HB2 SER 39 0.286 13.213 2.462 309 HB3 SER 39 HB3 SER 39 1.360 12.508 3.642 310 HG SER 39 HG SER 39 3.112 13.212 2.621 311 H ALA 40 HN ALA 40 2.378 12.606 -0.211 312 HA ALA 40 HA ALA 40 4.922 11.058 -0.047 313 HB1 ALA 40 HB1 ALA 40 3.667 10.830 -2.182 314 HB2 ALA 40 HB2 ALA 40 3.744 12.616 -2.346 315 HB3 ALA 40 HB3 ALA 40 5.244 11.646 -2.357 316 H GLU 41 HN GLU 41 3.495 14.194 0.360 317 HA GLU 41 HA GLU 41 6.152 15.409 0.215 318 HB2 GLU 41 HB2 GLU 41 3.826 16.250 -1.498 319 HB3 GLU 41 HB3 GLU 41 5.222 17.302 -1.187 320 HG2 GLU 41 HG2 GLU 41 6.724 15.374 -1.956 321 HG3 GLU 41 HG3 GLU 41 5.256 14.575 -2.535 322 H VAL 42 HN VAL 42 4.074 14.884 2.223 323 HA VAL 42 HA VAL 42 4.171 17.534 3.594 324 HB VAL 42 HB VAL 42 2.193 15.294 4.102 325 HG11 VAL 42 HG11 VAL 42 0.872 17.079 5.160 326 HG12 VAL 42 HG12 VAL 42 2.418 16.815 5.967 327 HG13 VAL 42 HG13 VAL 42 2.214 18.220 4.886 328 HG21 VAL 42 HG21 VAL 42 1.883 17.736 2.288 329 HG22 VAL 42 HG22 VAL 42 1.871 16.052 1.744 330 HG23 VAL 42 HG23 VAL 42 0.561 16.643 2.766 331 H GLN 43 HN GLN 43 5.331 14.310 3.632 332 HA GLN 43 HA GLN 43 6.940 13.336 4.762 333 HB2 GLN 43 HB2 GLN 43 7.125 15.631 6.713 334 HB3 GLN 43 HB3 GLN 43 8.373 14.482 6.282 335 HG2 GLN 43 HG2 GLN 43 8.792 15.495 4.161 336 HG3 GLN 43 HG3 GLN 43 7.294 16.418 4.174 337 HE21 GLN 43 HE21 GLN 43 7.116 17.740 6.463 338 HE22 GLN 43 HE22 GLN 43 8.516 18.755 6.735 339 H GLY 44 HN GLY 44 3.976 13.634 5.731 340 HA2 GLY 44 HA2 GLY 44 3.250 11.507 6.862 341 HA3 GLY 44 HA1 GLY 44 4.229 12.042 8.249 342 H HIS 45 HN HIS 45 2.916 12.790 9.780 343 HA HIS 45 HA HIS 45 1.682 14.205 10.949 344 HB2 HIS 45 HB2 HIS 45 2.252 15.979 8.555 345 HB3 HIS 45 HB3 HIS 45 1.469 16.534 10.024 346 HD1 HIS 45 HD1 HIS 45 3.113 17.638 11.675 347 HD2 HIS 45 HD2 HIS 45 4.793 14.604 9.262 348 HE1 HIS 45 HE1 HIS 45 5.553 17.402 12.380 349 H GLY 46 HN GLY 46 0.136 12.658 8.537 350 HA2 GLY 46 HA2 GLY 46 -2.199 14.244 8.150 351 HA3 GLY 46 HA1 GLY 46 -2.076 12.490 7.894 352 H ASN 47 HN ASN 47 -4.113 14.295 9.183 353 HA ASN 47 HA ASN 47 -4.590 13.209 11.844 354 HB2 ASN 47 HB2 ASN 47 -7.028 13.723 11.216 355 HB3 ASN 47 HB3 ASN 47 -5.926 15.081 11.290 356 HD21 ASN 47 HD21 ASN 47 -6.325 12.776 8.484 357 HD22 ASN 47 HD22 ASN 47 -6.872 14.033 7.405 358 HA PRO 48 HA PRO 48 -5.659 9.094 10.348 359 HB2 PRO 48 HB2 PRO 48 -7.524 8.243 12.140 360 HB3 PRO 48 HB3 PRO 48 -5.783 8.367 12.530 361 HG2 PRO 48 HG2 PRO 48 -7.970 10.368 13.168 362 HG3 PRO 48 HG3 PRO 48 -6.688 9.763 14.254 363 HD2 PRO 48 HD2 PRO 48 -6.483 12.144 12.946 364 HD3 PRO 48 HD3 PRO 48 -5.049 11.109 13.194 365 H VAL 49 HN VAL 49 -6.801 9.102 8.435 366 HA VAL 49 HA VAL 49 -9.709 9.508 8.477 367 HB VAL 49 HB VAL 49 -8.706 11.328 7.601 368 HG11 VAL 49 HG11 VAL 49 -6.483 11.067 7.174 369 HG12 VAL 49 HG12 VAL 49 -6.716 9.718 6.083 370 HG13 VAL 49 HG13 VAL 49 -7.143 11.374 5.569 371 HG21 VAL 49 HG21 VAL 49 -9.437 9.695 5.158 372 HG22 VAL 49 HG22 VAL 49 -10.596 10.471 6.254 373 HG23 VAL 49 HG23 VAL 49 -9.494 11.463 5.277 374 H LEU 50 HN LEU 50 -10.891 7.922 7.634 375 HA LEU 50 HA LEU 50 -9.514 5.489 6.887 376 HB2 LEU 50 HB2 LEU 50 -11.609 5.403 8.139 377 HB3 LEU 50 HB3 LEU 50 -12.502 6.168 6.824 378 HG LEU 50 HG LEU 50 -12.082 4.247 5.343 379 HD11 LEU 50 HD11 LEU 50 -10.371 3.261 7.646 380 HD12 LEU 50 HD12 LEU 50 -10.014 3.230 5.918 381 HD13 LEU 50 HD13 LEU 50 -11.182 2.101 6.575 382 HD21 LEU 50 HD21 LEU 50 -13.549 2.721 6.551 383 HD22 LEU 50 HD22 LEU 50 -13.993 4.401 6.870 384 HD23 LEU 50 HD23 LEU 50 -13.112 3.494 8.100 385 H GLN 51 HN GLN 51 -9.105 4.632 5.027 386 HA GLN 51 HA GLN 51 -9.495 6.235 2.573 387 HB2 GLN 51 HB2 GLN 51 -7.457 4.089 3.346 388 HB3 GLN 51 HB3 GLN 51 -7.454 5.029 1.839 389 HG2 GLN 51 HG2 GLN 51 -7.053 6.079 4.675 390 HG3 GLN 51 HG3 GLN 51 -5.830 5.926 3.448 391 HE21 GLN 51 HE21 GLN 51 -7.236 8.229 4.971 392 HE22 GLN 51 HE22 GLN 51 -7.447 9.471 3.744 393 H TYR 52 HN TYR 52 -11.421 5.522 1.737 394 HA TYR 52 HA TYR 52 -11.627 2.622 1.115 395 HB2 TYR 52 HB2 TYR 52 -13.979 2.722 1.337 396 HB3 TYR 52 HB3 TYR 52 -13.278 3.229 2.814 397 HD1 TYR 52 HD2 TYR 52 -13.189 5.699 3.457 398 HD2 TYR 52 HD1 TYR 52 -15.663 4.113 0.281 399 HE1 TYR 52 HE2 TYR 52 -14.733 7.609 3.705 400 HE2 TYR 52 HE1 TYR 52 -17.260 5.996 0.634 401 HH TYR 52 HH TYR 52 -17.014 8.277 3.218 402 H GLY 53 HN GLY 53 -13.662 2.725 -0.668 403 HA2 GLY 53 HA2 GLY 53 -14.036 3.021 -2.992 404 HA3 GLY 53 HA1 GLY 53 -14.017 4.702 -2.474 405 H LYS 54 HN LYS 54 -11.739 2.104 -3.349 406 HA LYS 54 HA LYS 54 -10.370 3.797 -5.296 407 HB2 LYS 54 HB2 LYS 54 -9.445 4.207 -2.783 408 HB3 LYS 54 HB3 LYS 54 -8.417 2.872 -3.289 409 HG2 LYS 54 HG2 LYS 54 -7.216 4.803 -3.873 410 HG3 LYS 54 HG3 LYS 54 -7.881 4.233 -5.381 411 HD2 LYS 54 HD2 LYS 54 -8.258 6.471 -5.565 412 HD3 LYS 54 HD3 LYS 54 -9.786 6.008 -4.880 413 HE2 LYS 54 HE2 LYS 54 -7.426 7.058 -3.250 414 HE3 LYS 54 HE3 LYS 54 -8.681 8.090 -3.962 415 HZ1 LYS 54 HZ1 LYS 54 -9.285 7.745 -1.772 416 HZ2 LYS 54 HZ2 LYS 54 -9.109 6.088 -1.837 417 HZ3 LYS 54 HZ3 LYS 54 -10.326 6.835 -2.616 418 H LEU 55 HN LEU 55 -11.379 0.699 -4.529 419 HA LEU 55 HA LEU 55 -9.149 -0.912 -4.879 420 HB2 LEU 55 HB2 LEU 55 -12.066 -1.245 -5.055 421 HB3 LEU 55 HB3 LEU 55 -11.267 -2.304 -6.186 422 HG LEU 55 HG LEU 55 -10.647 -2.184 -3.221 423 HD11 LEU 55 HD11 LEU 55 -12.182 -4.236 -4.865 424 HD12 LEU 55 HD12 LEU 55 -12.922 -3.074 -3.768 425 HD13 LEU 55 HD13 LEU 55 -11.858 -4.342 -3.120 426 HD21 LEU 55 HD21 LEU 55 -8.695 -2.977 -4.538 427 HD22 LEU 55 HD22 LEU 55 -9.714 -4.216 -5.275 428 HD23 LEU 55 HD23 LEU 55 -9.403 -4.231 -3.526 429 H ASN 56 HN ASN 56 -10.661 0.919 -7.395 430 HA ASN 56 HA ASN 56 -9.729 -0.752 -9.589 431 HB2 ASN 56 HB2 ASN 56 -10.473 2.166 -9.768 432 HB3 ASN 56 HB3 ASN 56 -10.565 0.941 -11.018 433 HD21 ASN 56 HD21 ASN 56 -11.988 -1.162 -9.294 434 HD22 ASN 56 HD22 ASN 56 -13.523 -0.502 -8.912 435 H VAL 57 HN VAL 57 -8.019 1.087 -7.409 436 HA VAL 57 HA VAL 57 -6.084 2.525 -8.872 437 HB VAL 57 HB VAL 57 -6.490 2.715 -6.442 438 HG11 VAL 57 HG11 VAL 57 -5.118 0.042 -6.005 439 HG12 VAL 57 HG12 VAL 57 -5.841 1.140 -4.807 440 HG13 VAL 57 HG13 VAL 57 -6.872 0.253 -5.932 441 HG21 VAL 57 HG21 VAL 57 -4.214 2.838 -5.676 442 HG22 VAL 57 HG22 VAL 57 -3.642 1.744 -6.935 443 HG23 VAL 57 HG23 VAL 57 -4.258 3.347 -7.378 444 H GLY 58 HN GLY 58 -4.054 1.975 -9.634 445 HA2 GLY 58 HA2 GLY 58 -3.193 -0.782 -9.167 446 HA3 GLY 58 HA1 GLY 58 -3.269 -0.274 -10.856 447 H LEU 59 HN LEU 59 -0.967 -1.089 -9.718 448 HA LEU 59 HA LEU 59 0.693 1.124 -8.855 449 HB2 LEU 59 HB2 LEU 59 0.834 -1.689 -8.877 450 HB3 LEU 59 HB3 LEU 59 1.997 -1.214 -10.104 451 HG LEU 59 HG LEU 59 3.016 -1.619 -7.918 452 HD11 LEU 59 HD11 LEU 59 4.138 -0.040 -9.395 453 HD12 LEU 59 HD12 LEU 59 4.172 0.627 -7.734 454 HD13 LEU 59 HD13 LEU 59 3.043 1.254 -8.841 455 HD21 LEU 59 HD21 LEU 59 1.512 0.816 -6.903 456 HD22 LEU 59 HD22 LEU 59 2.759 -0.126 -6.074 457 HD23 LEU 59 HD23 LEU 59 1.204 -0.873 -6.416 458 H VAL 60 HN VAL 60 2.200 2.197 -10.099 459 HA VAL 60 HA VAL 60 2.290 1.702 -13.016 460 HB VAL 60 HB VAL 60 2.920 4.235 -13.002 461 HG11 VAL 60 HG11 VAL 60 0.547 4.755 -13.519 462 HG12 VAL 60 HG12 VAL 60 1.016 3.200 -14.229 463 HG13 VAL 60 HG13 VAL 60 0.045 3.229 -12.746 464 HG21 VAL 60 HG21 VAL 60 2.783 4.778 -10.725 465 HG22 VAL 60 HG22 VAL 60 1.410 5.551 -11.503 466 HG23 VAL 60 HG23 VAL 60 1.140 4.075 -10.559 467 H GLY 61 HN GLY 61 4.071 2.540 -10.087 468 HA2 GLY 61 HA2 GLY 61 6.606 1.613 -11.338 469 HA3 GLY 61 HA1 GLY 61 6.517 3.302 -10.864 470 H VAL 62 HN VAL 62 8.174 0.968 -9.832 471 HA VAL 62 HA VAL 62 8.094 1.861 -7.091 472 HB VAL 62 HB VAL 62 8.239 -1.086 -7.617 473 HG11 VAL 62 HG11 VAL 62 8.514 -1.549 -5.428 474 HG12 VAL 62 HG12 VAL 62 9.449 -0.062 -5.576 475 HG13 VAL 62 HG13 VAL 62 7.816 -0.034 -4.868 476 HG21 VAL 62 HG21 VAL 62 5.913 0.404 -6.331 477 HG22 VAL 62 HG22 VAL 62 5.901 -0.581 -7.822 478 HG23 VAL 62 HG23 VAL 62 6.128 -1.359 -6.266 479 H GLU 63 HN GLU 63 10.045 2.622 -7.019 480 HA GLU 63 HA GLU 63 12.458 1.215 -7.784 481 HB2 GLU 63 HB2 GLU 63 11.405 3.711 -9.153 482 HB3 GLU 63 HB3 GLU 63 13.101 3.594 -8.930 483 HG2 GLU 63 HG2 GLU 63 12.643 1.085 -9.875 484 HG3 GLU 63 HG3 GLU 63 11.245 1.853 -10.585 485 HA PRO 64 HA PRO 64 13.964 3.270 -4.163 486 HB2 PRO 64 HB2 PRO 64 16.606 3.588 -4.656 487 HB3 PRO 64 HB3 PRO 64 15.852 1.976 -4.444 488 HG2 PRO 64 HG2 PRO 64 16.473 3.420 -7.033 489 HG3 PRO 64 HG3 PRO 64 16.865 1.727 -6.623 490 HD2 PRO 64 HD2 PRO 64 14.670 2.367 -8.082 491 HD3 PRO 64 HD3 PRO 64 14.629 1.041 -6.880 492 H ALA 65 HN ALA 65 13.325 5.307 -3.662 493 HA ALA 65 HA ALA 65 13.998 7.577 -5.430 494 HB1 ALA 65 HB1 ALA 65 12.443 7.469 -2.825 495 HB2 ALA 65 HB2 ALA 65 12.814 8.939 -3.745 496 HB3 ALA 65 HB3 ALA 65 11.782 7.701 -4.462 497 H GLY 66 HN GLY 66 16.293 6.876 -5.173 498 HA2 GLY 66 HA2 GLY 66 18.221 8.204 -4.751 499 HA3 GLY 66 HA1 GLY 66 17.517 8.749 -3.223 500 H GLN 67 HN GLN 67 18.273 7.843 -1.454 501 HA GLN 67 HA GLN 67 19.574 5.161 -1.559 502 HB2 GLN 67 HB2 GLN 67 20.708 7.611 -0.150 503 HB3 GLN 67 HB3 GLN 67 21.417 5.997 -0.257 504 HG2 GLN 67 HG2 GLN 67 21.351 6.311 -2.824 505 HG3 GLN 67 HG3 GLN 67 20.965 8.003 -2.503 506 HE21 GLN 67 HE21 GLN 67 22.843 8.720 -3.563 507 HE22 GLN 67 HE22 GLN 67 24.445 8.502 -2.862 508 H TYR 68 HN TYR 68 17.084 6.834 -0.237 509 HA TYR 68 HA TYR 68 17.192 5.459 2.395 510 HB2 TYR 68 HB2 TYR 68 16.537 7.682 3.498 511 HB3 TYR 68 HB3 TYR 68 18.203 7.344 3.160 512 HD1 TYR 68 HD1 TYR 68 15.283 9.420 2.231 513 HD2 TYR 68 HD2 TYR 68 19.475 8.644 1.514 514 HE1 TYR 68 HE1 TYR 68 15.475 11.534 0.965 515 HE2 TYR 68 HE2 TYR 68 19.639 10.729 0.183 516 HH TYR 68 HH TYR 68 18.519 12.779 -0.323 517 H ALA 69 HN ALA 69 15.302 6.166 -0.301 518 HA ALA 69 HA ALA 69 12.903 5.723 1.238 519 HB1 ALA 69 HB1 ALA 69 13.376 8.329 1.076 520 HB2 ALA 69 HB2 ALA 69 12.768 8.136 -0.581 521 HB3 ALA 69 HB3 ALA 69 11.765 7.724 0.823 522 H LEU 70 HN LEU 70 10.966 5.750 -0.512 523 HA LEU 70 HA LEU 70 11.970 4.294 -2.931 524 HB2 LEU 70 HB2 LEU 70 11.333 2.844 -0.990 525 HB3 LEU 70 HB3 LEU 70 9.674 3.443 -1.159 526 HG LEU 70 HG LEU 70 9.800 1.313 -2.129 527 HD11 LEU 70 HD11 LEU 70 8.546 3.074 -3.361 528 HD12 LEU 70 HD12 LEU 70 8.960 1.641 -4.279 529 HD13 LEU 70 HD13 LEU 70 9.871 3.106 -4.545 530 HD21 LEU 70 HD21 LEU 70 12.238 2.287 -3.635 531 HD22 LEU 70 HD22 LEU 70 11.329 0.862 -4.126 532 HD23 LEU 70 HD23 LEU 70 12.079 0.915 -2.527 533 H LYS 71 HN LYS 71 11.056 5.109 -4.775 534 HA LYS 71 HA LYS 71 9.600 7.503 -4.720 535 HB2 LYS 71 HB2 LYS 71 9.581 5.551 -7.068 536 HB3 LYS 71 HB3 LYS 71 9.425 7.320 -6.975 537 HG2 LYS 71 HG2 LYS 71 11.607 7.686 -6.484 538 HG3 LYS 71 HG3 LYS 71 12.013 5.981 -6.521 539 HD2 LYS 71 HD2 LYS 71 12.676 6.796 -8.576 540 HD3 LYS 71 HD3 LYS 71 11.164 5.964 -8.930 541 HE2 LYS 71 HE2 LYS 71 11.469 8.999 -8.585 542 HE3 LYS 71 HE3 LYS 71 11.564 8.157 -10.140 543 HZ1 LYS 71 HZ1 LYS 71 9.198 7.390 -9.651 544 HZ2 LYS 71 HZ2 LYS 71 9.453 8.956 -10.008 545 HZ3 LYS 71 HZ3 LYS 71 9.184 8.561 -8.460 546 H LEU 72 HN LEU 72 8.390 4.356 -4.843 547 HA LEU 72 HA LEU 72 6.364 3.377 -5.222 548 HB2 LEU 72 HB2 LEU 72 6.950 4.233 -2.694 549 HB3 LEU 72 HB3 LEU 72 5.404 4.980 -2.962 550 HG LEU 72 HG LEU 72 4.475 2.978 -3.392 551 HD11 LEU 72 HD11 LEU 72 6.980 1.364 -2.822 552 HD12 LEU 72 HD12 LEU 72 6.211 1.499 -4.416 553 HD13 LEU 72 HD13 LEU 72 5.363 0.697 -3.103 554 HD21 LEU 72 HD21 LEU 72 6.106 2.854 -0.884 555 HD22 LEU 72 HD22 LEU 72 4.679 1.801 -1.162 556 HD23 LEU 72 HD23 LEU 72 4.488 3.547 -1.128 557 H SER 73 HN SER 73 5.253 3.707 -6.970 558 HA SER 73 HA SER 73 3.929 6.361 -7.341 559 HB2 SER 73 HB2 SER 73 5.113 4.591 -9.490 560 HB3 SER 73 HB3 SER 73 4.579 6.255 -9.638 561 HG SER 73 HG SER 73 6.814 6.240 -9.409 562 H PHE 74 HN PHE 74 1.798 5.950 -6.875 563 HA PHE 74 HA PHE 74 0.548 3.515 -8.078 564 HB2 PHE 74 HB2 PHE 74 -0.226 5.097 -5.589 565 HB3 PHE 74 HB3 PHE 74 -1.178 3.867 -6.377 566 HD1 PHE 74 HD2 PHE 74 2.583 3.646 -5.626 567 HD2 PHE 74 HD1 PHE 74 -1.435 2.395 -4.621 568 HE1 PHE 74 HE2 PHE 74 3.497 1.725 -4.476 569 HE2 PHE 74 HE1 PHE 74 -0.482 0.606 -3.259 570 HZ PHE 74 HZ PHE 74 2.003 0.156 -3.285 571 H ASP 75 HN ASP 75 -1.286 3.857 -9.312 572 HA ASP 75 HA ASP 75 -1.325 6.431 -10.579 573 HB2 ASP 75 HB2 ASP 75 -2.396 5.470 -12.256 574 HB3 ASP 75 HB3 ASP 75 -1.877 3.977 -11.495 575 H ASP 76 HN ASP 76 -2.884 5.381 -7.783 576 HA ASP 76 HA ASP 76 -5.107 7.216 -7.739 577 HB2 ASP 76 HB2 ASP 76 -5.295 6.765 -5.426 578 HB3 ASP 76 HB3 ASP 76 -4.989 5.252 -6.264 579 H GLY 77 HN GLY 77 -1.761 7.856 -7.745 580 HA2 GLY 77 HA2 GLY 77 -0.967 9.984 -8.083 581 HA3 GLY 77 HA1 GLY 77 -2.509 10.634 -7.521 582 H HIS 78 HN HIS 78 -0.785 12.199 -6.707 583 HA HIS 78 HA HIS 78 0.612 13.137 -5.211 584 HB2 HIS 78 HB2 HIS 78 -1.471 13.006 -3.866 585 HB3 HIS 78 HB3 HIS 78 -0.948 11.470 -3.229 586 HD1 HIS 78 HD1 HIS 78 -1.324 12.838 -0.840 587 HD2 HIS 78 HD2 HIS 78 1.946 13.914 -3.294 588 HE1 HIS 78 HE1 HIS 78 0.262 14.231 0.592 589 H ASP 79 HN ASP 79 2.349 11.922 -6.352 590 HA ASP 79 HA ASP 79 3.594 9.838 -4.653 591 HB2 ASP 79 HB2 ASP 79 3.925 8.400 -6.410 592 HB3 ASP 79 HB3 ASP 79 2.264 8.937 -6.636 593 H SER 80 HN SER 80 5.664 10.186 -4.206 594 HA SER 80 HA SER 80 7.525 11.483 -5.961 595 HB2 SER 80 HB2 SER 80 6.174 13.398 -4.848 596 HB3 SER 80 HB3 SER 80 7.030 12.966 -3.363 597 HG SER 80 HG SER 80 7.818 14.420 -5.459 598 H GLY 81 HN GLY 81 9.536 12.056 -4.206 599 HA2 GLY 81 HA2 GLY 81 10.375 9.346 -3.594 600 HA3 GLY 81 HA1 GLY 81 11.370 10.813 -3.505 601 H LEU 82 HN LEU 82 8.833 8.938 -1.900 602 HA LEU 82 HA LEU 82 9.755 9.809 0.765 603 HB2 LEU 82 HB2 LEU 82 7.353 10.601 -0.462 604 HB3 LEU 82 HB3 LEU 82 6.882 9.232 0.523 605 HG LEU 82 HG LEU 82 6.633 11.410 1.672 606 HD11 LEU 82 HD11 LEU 82 8.760 9.703 3.002 607 HD12 LEU 82 HD12 LEU 82 6.989 9.418 3.044 608 HD13 LEU 82 HD13 LEU 82 7.684 10.859 3.792 609 HD21 LEU 82 HD21 LEU 82 9.656 11.652 1.867 610 HD22 LEU 82 HD22 LEU 82 8.415 12.831 2.299 611 HD23 LEU 82 HD23 LEU 82 8.733 12.450 0.585 612 H PHE 83 HN PHE 83 7.954 8.093 2.173 613 HA PHE 83 HA PHE 83 7.899 6.029 3.051 614 HB2 PHE 83 HB2 PHE 83 8.476 4.999 0.243 615 HB3 PHE 83 HB3 PHE 83 7.995 4.063 1.640 616 HD1 PHE 83 HD2 PHE 83 6.816 6.580 -0.851 617 HD2 PHE 83 HD1 PHE 83 5.770 3.832 2.293 618 HE1 PHE 83 HE2 PHE 83 4.410 6.990 -1.290 619 HE2 PHE 83 HE1 PHE 83 3.381 4.050 1.664 620 HZ PHE 83 HZ PHE 83 2.705 5.716 -0.010 621 H THR 84 HN THR 84 9.703 6.231 4.503 622 HA THR 84 HA THR 84 12.344 5.714 3.540 623 HB THR 84 HB THR 84 12.580 5.576 6.231 624 HG1 THR 84 HG1 THR 84 10.767 7.073 6.962 625 HG21 THR 84 HG21 THR 84 11.869 8.111 4.705 626 HG22 THR 84 HG22 THR 84 13.476 7.363 4.820 627 HG23 THR 84 HG23 THR 84 12.713 8.027 6.277 628 H TRP 85 HN TRP 85 13.731 4.039 4.524 629 HA TRP 85 HA TRP 85 12.768 1.589 3.588 630 HB2 TRP 85 HB2 TRP 85 15.232 2.443 5.129 631 HB3 TRP 85 HB3 TRP 85 15.016 0.781 4.569 632 HD1 TRP 85 HD1 TRP 85 17.015 3.408 3.609 633 HE1 TRP 85 HE1 TRP 85 17.488 3.553 1.073 634 HE3 TRP 85 HE3 TRP 85 13.102 0.546 1.843 635 HZ2 TRP 85 HZ2 TRP 85 16.184 2.673 -1.389 636 HZ3 TRP 85 HZ3 TRP 85 12.750 0.308 -0.533 637 HH2 TRP 85 HH2 TRP 85 14.331 1.328 -2.177 638 H ASP 86 HN ASP 86 13.185 2.624 6.965 639 HA ASP 86 HA ASP 86 12.724 0.098 8.197 640 HB2 ASP 86 HB2 ASP 86 13.033 2.873 8.999 641 HB3 ASP 86 HB3 ASP 86 11.613 2.240 9.789 642 H TYR 87 HN TYR 87 10.476 2.719 7.315 643 HA TYR 87 HA TYR 87 8.067 1.541 8.223 644 HB2 TYR 87 HB2 TYR 87 8.336 3.912 7.666 645 HB3 TYR 87 HB3 TYR 87 8.661 3.525 5.988 646 HD1 TYR 87 HD1 TYR 87 5.966 2.088 8.180 647 HD2 TYR 87 HD2 TYR 87 6.919 4.579 4.791 648 HE1 TYR 87 HE1 TYR 87 3.584 2.602 7.907 649 HE2 TYR 87 HE2 TYR 87 4.507 4.939 4.358 650 HH TYR 87 HH TYR 87 2.285 4.613 5.236 651 H LEU 88 HN LEU 88 9.670 1.408 5.019 652 HA LEU 88 HA LEU 88 7.548 0.008 3.716 653 HB2 LEU 88 HB2 LEU 88 10.539 0.203 3.186 654 HB3 LEU 88 HB3 LEU 88 9.444 -0.692 2.115 655 HG LEU 88 HG LEU 88 8.749 2.163 2.848 656 HD11 LEU 88 HD11 LEU 88 11.086 2.294 2.152 657 HD12 LEU 88 HD12 LEU 88 10.016 2.962 0.944 658 HD13 LEU 88 HD13 LEU 88 10.751 1.369 0.690 659 HD21 LEU 88 HD21 LEU 88 8.340 0.581 0.263 660 HD22 LEU 88 HD22 LEU 88 7.575 2.114 0.736 661 HD23 LEU 88 HD23 LEU 88 7.184 0.643 1.601 662 H TYR 89 HN TYR 89 10.520 -1.232 5.335 663 HA TYR 89 HA TYR 89 9.743 -3.983 4.725 664 HB2 TYR 89 HB2 TYR 89 12.079 -2.597 5.962 665 HB3 TYR 89 HB3 TYR 89 11.773 -4.224 6.500 666 HD1 TYR 89 HD2 TYR 89 10.829 -5.796 4.246 667 HD2 TYR 89 HD1 TYR 89 13.617 -2.499 4.199 668 HE1 TYR 89 HE2 TYR 89 11.771 -6.646 2.224 669 HE2 TYR 89 HE1 TYR 89 14.741 -3.501 2.221 670 HH TYR 89 HH TYR 89 14.212 -6.680 1.275 671 H GLU 90 HN GLU 90 9.077 -1.796 7.369 672 HA GLU 90 HA GLU 90 8.266 -3.794 9.224 673 HB2 GLU 90 HB2 GLU 90 8.529 -1.412 9.834 674 HB3 GLU 90 HB3 GLU 90 7.351 -0.925 8.635 675 HG2 GLU 90 HG2 GLU 90 5.540 -2.087 9.863 676 HG3 GLU 90 HG3 GLU 90 6.724 -2.556 11.091 677 H LEU 91 HN LEU 91 6.409 -1.897 6.799 678 HA LEU 91 HA LEU 91 3.932 -3.176 7.163 679 HB2 LEU 91 HB2 LEU 91 5.128 -1.961 4.651 680 HB3 LEU 91 HB3 LEU 91 3.430 -2.378 4.829 681 HG LEU 91 HG LEU 91 4.771 -0.401 6.727 682 HD11 LEU 91 HD11 LEU 91 5.117 0.321 4.428 683 HD12 LEU 91 HD12 LEU 91 3.947 1.350 5.251 684 HD13 LEU 91 HD13 LEU 91 3.365 0.127 4.086 685 HD21 LEU 91 HD21 LEU 91 1.860 -0.866 5.947 686 HD22 LEU 91 HD22 LEU 91 2.452 0.497 6.912 687 HD23 LEU 91 HD23 LEU 91 2.633 -1.124 7.541 688 H ALA 92 HN ALA 92 6.612 -4.059 4.978 689 HA ALA 92 HA ALA 92 5.540 -6.104 3.424 690 HB1 ALA 92 HB1 ALA 92 8.272 -6.232 4.755 691 HB2 ALA 92 HB2 ALA 92 7.756 -6.940 3.212 692 HB3 ALA 92 HB3 ALA 92 7.888 -5.187 3.371 693 H THR 93 HN THR 93 6.771 -6.416 6.811 694 HA THR 93 HA THR 93 5.898 -9.246 6.834 695 HB THR 93 HB THR 93 8.254 -8.586 7.187 696 HG1 THR 93 HG1 THR 93 7.564 -10.553 8.041 697 HG21 THR 93 HG21 THR 93 9.023 -7.670 9.236 698 HG22 THR 93 HG22 THR 93 7.348 -7.445 9.821 699 HG23 THR 93 HG23 THR 93 7.941 -6.539 8.415 700 H ARG 94 HN ARG 94 4.354 -6.504 7.403 701 HA ARG 94 HA ARG 94 2.851 -7.525 9.798 702 HB2 ARG 94 HB2 ARG 94 3.527 -4.721 8.869 703 HB3 ARG 94 HB3 ARG 94 2.268 -5.030 10.046 704 HG2 ARG 94 HG2 ARG 94 5.066 -6.106 10.570 705 HG3 ARG 94 HG3 ARG 94 4.700 -4.399 10.786 706 HD2 ARG 94 HD2 ARG 94 4.265 -5.221 12.924 707 HD3 ARG 94 HD3 ARG 94 2.679 -5.146 12.207 708 HE ARG 94 HE ARG 94 2.481 -7.427 12.325 709 HH11 ARG 94 HH11 ARG 94 5.915 -6.611 12.951 710 HH12 ARG 94 HH12 ARG 94 6.281 -8.196 13.562 711 HH21 ARG 94 HH21 ARG 94 2.978 -9.402 13.025 712 HH22 ARG 94 HH22 ARG 94 4.473 -9.852 13.754 713 H LYS 95 HN LYS 95 2.654 -7.056 6.486 714 HA LYS 95 HA LYS 95 0.547 -5.548 5.890 715 HB2 LYS 95 HB2 LYS 95 1.971 -6.783 4.238 716 HB3 LYS 95 HB3 LYS 95 1.205 -8.304 4.693 717 HG2 LYS 95 HG2 LYS 95 -0.977 -6.652 3.893 718 HG3 LYS 95 HG3 LYS 95 0.337 -6.242 2.842 719 HD2 LYS 95 HD2 LYS 95 -0.707 -7.920 1.641 720 HD3 LYS 95 HD3 LYS 95 0.574 -8.829 2.467 721 HE2 LYS 95 HE2 LYS 95 -1.626 -8.757 4.259 722 HE3 LYS 95 HE3 LYS 95 -2.352 -8.986 2.685 723 HZ1 LYS 95 HZ1 LYS 95 -0.241 -10.699 3.855 724 HZ2 LYS 95 HZ2 LYS 95 -0.930 -10.925 2.373 725 HZ3 LYS 95 HZ3 LYS 95 -1.797 -11.108 3.789 726 H ASP 96 HN ASP 96 0.083 -9.029 6.479 727 HA ASP 96 HA ASP 96 -2.648 -9.123 6.017 728 HB2 ASP 96 HB2 ASP 96 -0.674 -10.888 7.061 729 HB3 ASP 96 HB3 ASP 96 -1.953 -10.834 8.258 730 H GLN 97 HN GLN 97 -1.047 -8.231 9.085 731 HA GLN 97 HA GLN 97 -3.465 -7.931 10.554 732 HB2 GLN 97 HB2 GLN 97 -1.194 -8.293 11.554 733 HB3 GLN 97 HB3 GLN 97 -0.726 -6.665 11.061 734 HG2 GLN 97 HG2 GLN 97 -1.415 -6.828 13.456 735 HG3 GLN 97 HG3 GLN 97 -2.393 -5.692 12.524 736 HE21 GLN 97 HE21 GLN 97 -4.587 -5.870 12.735 737 HE22 GLN 97 HE22 GLN 97 -5.432 -7.311 13.324 738 H LEU 98 HN LEU 98 -1.290 -5.433 9.059 739 HA LEU 98 HA LEU 98 -2.909 -3.165 9.594 740 HB2 LEU 98 HB2 LEU 98 -1.269 -3.734 7.089 741 HB3 LEU 98 HB3 LEU 98 -1.951 -2.238 7.409 742 HG LEU 98 HG LEU 98 -0.193 -1.513 8.402 743 HD11 LEU 98 HD11 LEU 98 0.580 -2.225 10.547 744 HD12 LEU 98 HD12 LEU 98 -0.261 -3.794 10.382 745 HD13 LEU 98 HD13 LEU 98 -1.168 -2.260 10.529 746 HD21 LEU 98 HD21 LEU 98 1.196 -2.854 7.094 747 HD22 LEU 98 HD22 LEU 98 0.888 -4.297 8.062 748 HD23 LEU 98 HD23 LEU 98 1.857 -2.956 8.709 749 H TRP 99 HN TRP 99 -3.112 -5.550 7.088 750 HA TRP 99 HA TRP 99 -5.097 -4.202 5.495 751 HB2 TRP 99 HB2 TRP 99 -3.456 -5.901 4.655 752 HB3 TRP 99 HB3 TRP 99 -4.301 -7.145 5.574 753 HD1 TRP 99 HD1 TRP 99 -5.880 -8.465 4.113 754 HE1 TRP 99 HE1 TRP 99 -7.391 -8.011 2.085 755 HE3 TRP 99 HE3 TRP 99 -4.896 -3.423 3.419 756 HZ2 TRP 99 HZ2 TRP 99 -8.310 -5.779 0.663 757 HZ3 TRP 99 HZ3 TRP 99 -6.115 -2.192 1.657 758 HH2 TRP 99 HH2 TRP 99 -7.875 -3.352 0.321 759 H ALA 100 HN ALA 100 -5.280 -6.879 7.907 760 HA ALA 100 HA ALA 100 -8.121 -7.147 7.803 761 HB1 ALA 100 HB1 ALA 100 -7.822 -8.324 9.960 762 HB2 ALA 100 HB2 ALA 100 -6.653 -8.876 8.747 763 HB3 ALA 100 HB3 ALA 100 -6.138 -7.763 10.036 764 H ASP 101 HN ASP 101 -5.932 -5.044 9.694 765 HA ASP 101 HA ASP 101 -7.846 -3.855 11.430 766 HB2 ASP 101 HB2 ASP 101 -5.113 -3.074 10.397 767 HB3 ASP 101 HB3 ASP 101 -6.094 -1.863 11.203 768 H TYR 102 HN TYR 102 -6.558 -2.657 8.232 769 HA TYR 102 HA TYR 102 -8.504 -0.552 8.155 770 HB2 TYR 102 HB2 TYR 102 -6.547 -1.795 6.241 771 HB3 TYR 102 HB3 TYR 102 -7.846 -0.862 5.567 772 HD1 TYR 102 HD1 TYR 102 -8.230 1.462 7.275 773 HD2 TYR 102 HD2 TYR 102 -4.587 -0.565 6.122 774 HE1 TYR 102 HE1 TYR 102 -6.972 3.564 7.633 775 HE2 TYR 102 HE2 TYR 102 -3.371 1.619 6.340 776 HH TYR 102 HH TYR 102 -4.861 4.678 7.160 777 H LEU 103 HN LEU 103 -8.699 -3.928 7.047 778 HA LEU 103 HA LEU 103 -11.215 -3.712 5.652 779 HB2 LEU 103 HB2 LEU 103 -9.715 -5.893 7.058 780 HB3 LEU 103 HB3 LEU 103 -11.452 -6.094 6.916 781 HG LEU 103 HG LEU 103 -11.439 -6.375 4.646 782 HD11 LEU 103 HD11 LEU 103 -9.996 -4.418 3.951 783 HD12 LEU 103 HD12 LEU 103 -9.725 -5.906 3.044 784 HD13 LEU 103 HD13 LEU 103 -8.581 -5.425 4.303 785 HD21 LEU 103 HD21 LEU 103 -10.256 -8.206 5.842 786 HD22 LEU 103 HD22 LEU 103 -8.705 -7.400 5.485 787 HD23 LEU 103 HD23 LEU 103 -9.699 -8.035 4.156 788 H ALA 104 HN ALA 104 -10.372 -4.121 9.128 789 HA ALA 104 HA ALA 104 -13.068 -4.348 10.052 790 HB1 ALA 104 HB1 ALA 104 -11.132 -4.898 11.523 791 HB2 ALA 104 HB2 ALA 104 -10.691 -3.180 11.574 792 HB3 ALA 104 HB3 ALA 104 -12.232 -3.704 12.234 793 H GLU 105 HN GLU 105 -10.867 -1.451 9.775 794 HA GLU 105 HA GLU 105 -12.875 0.376 10.501 795 HB2 GLU 105 HB2 GLU 105 -10.406 0.673 8.761 796 HB3 GLU 105 HB3 GLU 105 -11.558 1.982 9.001 797 HG2 GLU 105 HG2 GLU 105 -11.109 1.208 11.573 798 HG3 GLU 105 HG3 GLU 105 -9.540 0.879 10.862 799 H LEU 106 HN LEU 106 -12.165 -0.837 7.165 800 HA LEU 106 HA LEU 106 -14.057 0.791 5.897 801 HB2 LEU 106 HB2 LEU 106 -12.413 -1.480 5.156 802 HB3 LEU 106 HB3 LEU 106 -14.030 -1.813 4.609 803 HG LEU 106 HG LEU 106 -12.820 -0.651 2.781 804 HD11 LEU 106 HD11 LEU 106 -14.437 0.919 2.288 805 HD12 LEU 106 HD12 LEU 106 -14.767 1.283 3.996 806 HD13 LEU 106 HD13 LEU 106 -15.238 -0.277 3.297 807 HD21 LEU 106 HD21 LEU 106 -11.781 1.421 2.989 808 HD22 LEU 106 HD22 LEU 106 -11.228 0.566 4.419 809 HD23 LEU 106 HD23 LEU 106 -12.510 1.775 4.568 810 H ALA 107 HN ALA 107 -14.454 -2.359 7.370 811 HA ALA 107 HA ALA 107 -17.216 -2.784 6.690 812 HB1 ALA 107 HB1 ALA 107 -15.423 -3.934 8.904 813 HB2 ALA 107 HB2 ALA 107 -17.001 -4.581 8.413 814 HB3 ALA 107 HB3 ALA 107 -15.626 -4.597 7.287 815 H SER 108 HN SER 108 -15.531 -1.459 9.528 816 HA SER 108 HA SER 108 -17.812 -1.098 11.164 817 HB2 SER 108 HB2 SER 108 -15.394 -1.404 11.789 818 HB3 SER 108 HB3 SER 108 -15.084 0.274 11.300 819 HG SER 108 HG SER 108 -15.480 -0.365 13.555 820 H ALA 109 HN ALA 109 -16.182 1.086 8.812 821 HA ALA 109 HA ALA 109 -17.933 3.348 9.443 822 HB1 ALA 109 HB1 ALA 109 -15.661 3.718 8.532 823 HB2 ALA 109 HB2 ALA 109 -16.094 2.807 7.066 824 HB3 ALA 109 HB3 ALA 109 -16.901 4.340 7.441 825 H GLY 110 HN GLY 110 -18.379 0.354 7.782 826 HA2 GLY 110 HA2 GLY 110 -20.030 -0.455 6.470 827 HA3 GLY 110 HA1 GLY 110 -20.996 0.970 6.877 828 H LYS 111 HN LYS 111 -17.821 1.001 5.221 829 HA LYS 111 HA LYS 111 -19.204 2.002 2.763 830 HB2 LYS 111 HB2 LYS 111 -16.344 2.635 3.530 831 HB3 LYS 111 HB3 LYS 111 -17.215 3.219 2.137 832 HG2 LYS 111 HG2 LYS 111 -17.889 3.958 5.015 833 HG3 LYS 111 HG3 LYS 111 -16.979 4.939 3.865 834 HD2 LYS 111 HD2 LYS 111 -18.978 4.842 2.296 835 HD3 LYS 111 HD3 LYS 111 -19.871 4.046 3.615 836 HE2 LYS 111 HE2 LYS 111 -19.359 6.021 5.060 837 HE3 LYS 111 HE3 LYS 111 -18.622 6.825 3.683 838 HZ1 LYS 111 HZ1 LYS 111 -21.132 7.225 4.181 839 HZ2 LYS 111 HZ2 LYS 111 -21.344 5.808 3.349 840 HZ3 LYS 111 HZ3 LYS 111 -20.592 7.075 2.631 841 H SER 112 HN SER 112 -17.232 1.630 0.885 842 HA SER 112 HA SER 112 -16.269 -1.151 1.172 843 HB2 SER 112 HB2 SER 112 -17.947 0.009 -1.073 844 HB3 SER 112 HB3 SER 112 -17.105 -1.558 -1.125 845 HG SER 112 HG SER 112 -18.961 -2.277 -0.342 846 H ARG 113 HN ARG 113 -14.546 -1.635 -0.272 847 HA ARG 113 HA ARG 113 -12.895 0.714 -0.900 848 HB2 ARG 113 HB2 ARG 113 -12.375 -2.218 -1.514 849 HB3 ARG 113 HB3 ARG 113 -11.213 -0.871 -1.619 850 HG2 ARG 113 HG2 ARG 113 -11.475 -0.470 0.802 851 HG3 ARG 113 HG3 ARG 113 -12.588 -1.825 0.885 852 HD2 ARG 113 HD2 ARG 113 -9.872 -2.348 -0.258 853 HD3 ARG 113 HD3 ARG 113 -10.011 -2.189 1.476 854 HE ARG 113 HE ARG 113 -10.836 -4.383 -0.137 855 HH11 ARG 113 HH11 ARG 113 -11.588 -2.791 2.968 856 HH12 ARG 113 HH12 ARG 113 -12.967 -3.836 3.260 857 HH21 ARG 113 HH21 ARG 113 -12.183 -6.093 0.638 858 HH22 ARG 113 HH22 ARG 113 -12.942 -5.941 2.195 859 H ASP 114 HN ASP 114 -15.121 -1.370 -2.623 860 HA ASP 114 HA ASP 114 -14.127 -0.665 -5.288 861 HB2 ASP 114 HB2 ASP 114 -15.761 -2.703 -4.188 862 HB3 ASP 114 HB3 ASP 114 -16.839 -1.717 -5.187 863 HA PRO 115 HA PRO 115 -16.051 3.088 -5.700 864 HB2 PRO 115 HB2 PRO 115 -16.636 3.306 -8.381 865 HB3 PRO 115 HB3 PRO 115 -14.972 3.105 -7.746 866 HG2 PRO 115 HG2 PRO 115 -16.805 0.860 -8.691 867 HG3 PRO 115 HG3 PRO 115 -15.210 1.254 -9.323 868 HD2 PRO 115 HD2 PRO 115 -15.468 -0.555 -7.426 869 HD3 PRO 115 HD3 PRO 115 -14.177 0.667 -7.224 870 H ASP 116 HN ASP 116 -18.172 0.455 -6.715 871 HA ASP 116 HA ASP 116 -20.603 2.023 -6.097 872 HB2 ASP 116 HB2 ASP 116 -20.078 2.378 -8.515 873 HB3 ASP 116 HB3 ASP 116 -20.068 0.626 -8.754 874 H GLU 117 HN GLU 117 -19.406 0.218 -4.556 875 HA GLU 117 HA GLU 117 -19.590 -2.457 -5.278 876 HB2 GLU 117 HB2 GLU 117 -18.150 -1.072 -3.555 877 HB3 GLU 117 HB3 GLU 117 -19.429 -1.452 -2.426 878 HG2 GLU 117 HG2 GLU 117 -17.996 -3.582 -4.085 879 HG3 GLU 117 HG3 GLU 117 -17.352 -3.033 -2.542 880 H SER 118 HN SER 118 -21.065 -4.198 -4.758 881 HA SER 118 HA SER 118 -23.435 -3.616 -3.184 882 HB2 SER 118 HB2 SER 118 -23.426 -4.006 -6.171 883 HB3 SER 118 HB3 SER 118 -24.787 -4.561 -5.183 884 HG SER 118 HG SER 118 -24.231 -2.130 -6.052 885 H VAL 119 HN VAL 119 -22.372 -5.239 -1.792 886 HA VAL 119 HA VAL 119 -22.172 -7.943 -2.601 887 HB VAL 119 HB VAL 119 -22.295 -8.310 -0.142 888 HG11 VAL 119 HG11 VAL 119 -20.154 -7.866 -1.418 889 HG12 VAL 119 HG12 VAL 119 -20.277 -6.187 -0.883 890 HG13 VAL 119 HG13 VAL 119 -20.102 -7.461 0.309 891 HG21 VAL 119 HG21 VAL 119 -23.625 -6.324 0.604 892 HG22 VAL 119 HG22 VAL 119 -22.066 -6.481 1.405 893 HG23 VAL 119 HG23 VAL 119 -22.272 -5.280 0.139 894 H VAL 120 HN VAL 120 -24.004 -8.281 -3.869 895 HA VAL 120 HA VAL 120 -26.060 -8.843 -4.462 896 HB VAL 120 HB VAL 120 -25.190 -10.804 -3.346 897 HG11 VAL 120 HG11 VAL 120 -26.249 -11.556 -1.161 898 HG12 VAL 120 HG12 VAL 120 -24.973 -10.354 -1.074 899 HG13 VAL 120 HG13 VAL 120 -26.665 -9.852 -0.896 900 HG21 VAL 120 HG21 VAL 120 -28.208 -10.714 -3.118 901 HG22 VAL 120 HG22 VAL 120 -27.273 -10.915 -4.615 902 HG23 VAL 120 HG23 VAL 120 -27.168 -12.127 -3.349 903 H LYS 121 HN LYS 121 -25.890 -6.308 -3.168 904 HA LYS 121 HA LYS 121 -28.697 -5.919 -2.226 905 HB2 LYS 121 HB2 LYS 121 -27.985 -3.717 -1.414 906 HB3 LYS 121 HB3 LYS 121 -27.092 -5.027 -0.684 907 HG2 LYS 121 HG2 LYS 121 -25.187 -4.005 -1.173 908 HG3 LYS 121 HG3 LYS 121 -25.492 -4.309 -2.873 909 HD2 LYS 121 HD2 LYS 121 -26.263 -1.798 -1.337 910 HD3 LYS 121 HD3 LYS 121 -24.923 -1.963 -2.481 911 HE2 LYS 121 HE2 LYS 121 -26.656 -2.635 -4.234 912 HE3 LYS 121 HE3 LYS 121 -27.898 -2.145 -3.072 913 HZ1 LYS 121 HZ1 LYS 121 -26.766 0.092 -3.143 914 HZ2 LYS 121 HZ2 LYS 121 -27.539 -0.401 -4.515 915 HZ3 LYS 121 HZ3 LYS 121 -25.912 -0.459 -4.446 916 H LEU 122 HN LEU 122 -26.799 -5.636 -5.069 917 HA LEU 122 HA LEU 122 -28.630 -3.653 -6.265 918 HB2 LEU 122 HB2 LEU 122 -26.058 -4.071 -6.923 919 HB3 LEU 122 HB3 LEU 122 -26.741 -5.363 -7.883 920 HG LEU 122 HG LEU 122 -26.378 -3.338 -9.170 921 HD11 LEU 122 HD11 LEU 122 -29.393 -3.654 -8.844 922 HD12 LEU 122 HD12 LEU 122 -28.344 -4.696 -9.822 923 HD13 LEU 122 HD13 LEU 122 -28.528 -2.991 -10.221 924 HD21 LEU 122 HD21 LEU 122 -28.373 -1.846 -7.414 925 HD22 LEU 122 HD22 LEU 122 -27.447 -1.228 -8.784 926 HD23 LEU 122 HD23 LEU 122 -26.600 -1.692 -7.301 927 H MET 123 HN MET 123 -30.496 -4.402 -7.108 928 HA MET 123 HA MET 123 -31.143 -7.252 -6.916 929 HB2 MET 123 HB2 MET 123 -32.567 -5.301 -5.924 930 HB3 MET 123 HB3 MET 123 -33.123 -5.047 -7.579 931 HG2 MET 123 HG2 MET 123 -33.985 -7.338 -7.662 932 HG3 MET 123 HG3 MET 123 -33.200 -7.742 -6.139 933 HE1 MET 123 HE1 MET 123 -33.878 -5.600 -4.015 934 HE2 MET 123 HE2 MET 123 -35.426 -6.228 -3.412 935 HE3 MET 123 HE3 MET 123 -34.112 -7.354 -3.815 936 H LEU 124 HN LEU 124 -33.144 -6.702 -9.088 937 HA LEU 124 HA LEU 124 -31.687 -6.921 -11.594 938 HB2 LEU 124 HB2 LEU 124 -34.087 -7.725 -11.261 939 HB3 LEU 124 HB3 LEU 124 -34.523 -6.056 -10.859 940 HG LEU 124 HG LEU 124 -33.836 -5.337 -13.158 941 HD11 LEU 124 HD11 LEU 124 -33.570 -7.128 -14.891 942 HD12 LEU 124 HD12 LEU 124 -33.507 -8.348 -13.595 943 HD13 LEU 124 HD13 LEU 124 -32.240 -7.104 -13.734 944 HD21 LEU 124 HD21 LEU 124 -35.911 -7.571 -13.012 945 HD22 LEU 124 HD22 LEU 124 -35.800 -6.329 -14.281 946 HD23 LEU 124 HD23 LEU 124 -36.177 -5.858 -12.619 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 22.743 -2.266 9.233 2 HA2 GLY 1 HA2 GLY 1 22.753 0.688 9.500 3 HA3 GLY 1 HA1 GLY 1 23.369 -0.216 8.090 4 H MET 2 HN MET 2 21.743 1.261 6.981 5 HA MET 2 HA MET 2 19.017 1.152 7.453 6 HB2 MET 2 HB2 MET 2 20.434 2.721 6.027 7 HB3 MET 2 HB3 MET 2 20.145 1.582 4.706 8 HG2 MET 2 HG2 MET 2 17.703 1.898 5.057 9 HG3 MET 2 HG3 MET 2 18.050 2.952 6.429 10 HE1 MET 2 HE1 MET 2 19.787 6.054 4.519 11 HE2 MET 2 HE2 MET 2 19.831 5.106 6.020 12 HE3 MET 2 HE3 MET 2 20.765 4.572 4.608 13 H ARG 3 HN ARG 3 17.513 -0.189 7.093 14 HA ARG 3 HA ARG 3 17.787 -2.799 5.874 15 HB2 ARG 3 HB2 ARG 3 15.622 -1.129 7.181 16 HB3 ARG 3 HB3 ARG 3 15.077 -2.444 6.185 17 HG2 ARG 3 HG2 ARG 3 17.075 -2.948 8.415 18 HG3 ARG 3 HG3 ARG 3 15.336 -2.857 8.675 19 HD2 ARG 3 HD2 ARG 3 15.637 -5.118 8.393 20 HD3 ARG 3 HD3 ARG 3 15.072 -4.616 6.803 21 HE ARG 3 HE ARG 3 17.917 -4.518 6.808 22 HH11 ARG 3 HH11 ARG 3 15.453 -7.073 7.252 23 HH12 ARG 3 HH12 ARG 3 16.628 -8.321 6.929 24 HH21 ARG 3 HH21 ARG 3 19.243 -6.128 6.189 25 HH22 ARG 3 HH22 ARG 3 18.715 -7.770 5.960 26 H ILE 4 HN ILE 4 18.588 -2.248 3.774 27 HA ILE 4 HA ILE 4 16.517 -1.139 1.942 28 HB ILE 4 HB ILE 4 19.502 -1.348 1.418 29 HG12 ILE 4 HG12 ILE 4 17.806 0.963 2.439 30 HG13 ILE 4 HG13 ILE 4 19.181 0.208 3.214 31 HG21 ILE 4 HG21 ILE 4 18.095 -1.394 -0.614 32 HG22 ILE 4 HG22 ILE 4 17.224 0.048 -0.064 33 HG23 ILE 4 HG23 ILE 4 18.934 0.138 -0.510 34 HD11 ILE 4 HD11 ILE 4 19.968 2.262 2.391 35 HD12 ILE 4 HD12 ILE 4 20.614 1.022 1.300 36 HD13 ILE 4 HD13 ILE 4 19.236 2.017 0.802 37 HA PRO 5 HA PRO 5 16.388 -5.396 0.590 38 HB2 PRO 5 HB2 PRO 5 14.738 -5.075 -1.678 39 HB3 PRO 5 HB3 PRO 5 14.168 -5.285 -0.006 40 HG2 PRO 5 HG2 PRO 5 14.585 -2.785 -1.560 41 HG3 PRO 5 HG3 PRO 5 13.181 -3.205 -0.495 42 HD2 PRO 5 HD2 PRO 5 15.291 -1.546 0.209 43 HD3 PRO 5 HD3 PRO 5 14.555 -2.639 1.414 44 H SER 6 HN SER 6 16.632 -6.653 -1.354 45 HA SER 6 HA SER 6 18.392 -5.440 -3.418 46 HB2 SER 6 HB2 SER 6 18.799 -8.124 -2.078 47 HB3 SER 6 HB3 SER 6 19.716 -7.463 -3.444 48 HG SER 6 HG SER 6 19.499 -6.363 -0.782 49 H ALA 7 HN ALA 7 15.544 -7.263 -2.623 50 HA ALA 7 HA ALA 7 15.149 -7.512 -5.556 51 HB1 ALA 7 HB1 ALA 7 13.573 -9.412 -5.004 52 HB2 ALA 7 HB2 ALA 7 15.300 -9.778 -4.800 53 HB3 ALA 7 HB3 ALA 7 14.302 -9.456 -3.375 54 H ILE 8 HN ILE 8 13.946 -5.965 -6.152 55 HA ILE 8 HA ILE 8 11.505 -5.240 -4.619 56 HB ILE 8 HB ILE 8 13.232 -3.644 -6.533 57 HG12 ILE 8 HG12 ILE 8 14.091 -3.514 -4.248 58 HG13 ILE 8 HG13 ILE 8 13.480 -1.976 -4.817 59 HG21 ILE 8 HG21 ILE 8 11.472 -1.782 -6.098 60 HG22 ILE 8 HG22 ILE 8 11.069 -3.089 -7.228 61 HG23 ILE 8 HG23 ILE 8 10.430 -3.138 -5.593 62 HD11 ILE 8 HD11 ILE 8 12.718 -2.177 -2.596 63 HD12 ILE 8 HD12 ILE 8 11.296 -2.504 -3.578 64 HD13 ILE 8 HD13 ILE 8 12.180 -3.875 -2.851 65 H GLN 9 HN GLN 9 10.589 -7.091 -5.490 66 HA GLN 9 HA GLN 9 10.505 -7.471 -8.447 67 HB2 GLN 9 HB2 GLN 9 9.922 -9.121 -6.040 68 HB3 GLN 9 HB3 GLN 9 8.817 -9.345 -7.413 69 HG2 GLN 9 HG2 GLN 9 10.592 -9.910 -8.889 70 HG3 GLN 9 HG3 GLN 9 11.818 -9.386 -7.726 71 HE21 GLN 9 HE21 GLN 9 8.876 -11.559 -7.363 72 HE22 GLN 9 HE22 GLN 9 9.757 -12.812 -6.550 73 H LEU 10 HN LEU 10 9.321 -5.833 -9.221 74 HA LEU 10 HA LEU 10 7.004 -4.731 -7.854 75 HB2 LEU 10 HB2 LEU 10 7.694 -3.068 -9.044 76 HB3 LEU 10 HB3 LEU 10 8.696 -4.051 -10.069 77 HG LEU 10 HG LEU 10 6.960 -4.251 -11.713 78 HD11 LEU 10 HD11 LEU 10 4.922 -2.608 -11.477 79 HD12 LEU 10 HD12 LEU 10 5.140 -2.885 -9.739 80 HD13 LEU 10 HD13 LEU 10 4.823 -4.239 -10.849 81 HD21 LEU 10 HD21 LEU 10 7.232 -1.389 -10.689 82 HD22 LEU 10 HD22 LEU 10 6.958 -1.887 -12.371 83 HD23 LEU 10 HD23 LEU 10 8.486 -2.283 -11.584 84 H HIS 11 HN HIS 11 7.436 -7.184 -10.173 85 HA HIS 11 HA HIS 11 6.121 -8.514 -11.446 86 HB2 HIS 11 HB2 HIS 11 4.333 -8.458 -9.006 87 HB3 HIS 11 HB3 HIS 11 4.027 -9.438 -10.418 88 HD1 HIS 11 HD1 HIS 11 5.544 -11.559 -10.836 89 HD2 HIS 11 HD2 HIS 11 6.347 -9.310 -7.350 90 HE1 HIS 11 HE1 HIS 11 7.103 -12.976 -9.391 91 H LYS 12 HN LYS 12 6.002 -6.705 -12.920 92 HA LYS 12 HA LYS 12 3.891 -4.867 -13.175 93 HB2 LYS 12 HB2 LYS 12 5.688 -6.306 -15.139 94 HB3 LYS 12 HB3 LYS 12 4.332 -5.379 -15.753 95 HG2 LYS 12 HG2 LYS 12 6.386 -4.096 -13.922 96 HG3 LYS 12 HG3 LYS 12 6.596 -4.219 -15.673 97 HD2 LYS 12 HD2 LYS 12 4.392 -3.055 -16.003 98 HD3 LYS 12 HD3 LYS 12 4.271 -2.867 -14.263 99 HE2 LYS 12 HE2 LYS 12 4.939 -0.814 -15.297 100 HE3 LYS 12 HE3 LYS 12 6.216 -1.376 -14.234 101 HZ1 LYS 12 HZ1 LYS 12 6.691 -0.500 -16.623 102 HZ2 LYS 12 HZ2 LYS 12 6.421 -2.045 -17.091 103 HZ3 LYS 12 HZ3 LYS 12 7.613 -1.705 -16.006 104 H ALA 13 HN ALA 13 3.834 -8.385 -13.905 105 HA ALA 13 HA ALA 13 1.446 -8.209 -15.458 106 HB1 ALA 13 HB1 ALA 13 2.637 -10.620 -14.038 107 HB2 ALA 13 HB2 ALA 13 1.452 -10.645 -15.357 108 HB3 ALA 13 HB3 ALA 13 3.091 -10.036 -15.655 109 H SER 14 HN SER 14 1.725 -8.249 -11.910 110 HA SER 14 HA SER 14 -1.232 -8.191 -11.824 111 HB2 SER 14 HB2 SER 14 0.220 -10.527 -11.040 112 HB3 SER 14 HB3 SER 14 -0.378 -9.769 -9.566 113 HG SER 14 HG SER 14 -1.791 -10.708 -11.838 114 H LYS 15 HN LYS 15 1.457 -6.553 -11.093 115 HA LYS 15 HA LYS 15 2.126 -5.030 -9.675 116 HB2 LYS 15 HB2 LYS 15 -0.782 -4.495 -9.037 117 HB3 LYS 15 HB3 LYS 15 0.563 -3.406 -9.093 118 HG2 LYS 15 HG2 LYS 15 -0.245 -2.811 -11.073 119 HG3 LYS 15 HG3 LYS 15 0.674 -4.161 -11.686 120 HD2 LYS 15 HD2 LYS 15 -1.247 -5.501 -11.926 121 HD3 LYS 15 HD3 LYS 15 -2.131 -4.657 -10.678 122 HE2 LYS 15 HE2 LYS 15 -3.283 -3.912 -12.488 123 HE3 LYS 15 HE3 LYS 15 -2.114 -2.605 -12.266 124 HZ1 LYS 15 HZ1 LYS 15 -0.763 -3.676 -14.047 125 HZ2 LYS 15 HZ2 LYS 15 -2.234 -3.220 -14.560 126 HZ3 LYS 15 HZ3 LYS 15 -1.955 -4.801 -14.233 127 H THR 16 HN THR 16 2.999 -6.935 -8.450 128 HA THR 16 HA THR 16 1.963 -6.983 -5.668 129 HB THR 16 HB THR 16 3.263 -9.274 -7.175 130 HG1 THR 16 HG1 THR 16 0.733 -9.834 -6.599 131 HG21 THR 16 HG21 THR 16 3.575 -9.347 -4.743 132 HG22 THR 16 HG22 THR 16 2.540 -10.658 -5.315 133 HG23 THR 16 HG23 THR 16 1.810 -9.244 -4.513 134 H LEU 17 HN LEU 17 3.552 -5.925 -4.460 135 HA LEU 17 HA LEU 17 6.316 -5.727 -5.516 136 HB2 LEU 17 HB2 LEU 17 5.451 -3.630 -4.773 137 HB3 LEU 17 HB3 LEU 17 4.944 -4.350 -3.222 138 HG LEU 17 HG LEU 17 7.338 -4.709 -2.577 139 HD11 LEU 17 HD11 LEU 17 8.115 -3.511 -5.202 140 HD12 LEU 17 HD12 LEU 17 8.450 -5.159 -4.615 141 HD13 LEU 17 HD13 LEU 17 9.169 -3.784 -3.769 142 HD21 LEU 17 HD21 LEU 17 6.110 -2.615 -2.089 143 HD22 LEU 17 HD22 LEU 17 6.719 -1.898 -3.577 144 HD23 LEU 17 HD23 LEU 17 7.845 -2.375 -2.257 145 H THR 18 HN THR 18 7.343 -7.588 -5.128 146 HA THR 18 HA THR 18 7.143 -8.778 -2.421 147 HB THR 18 HB THR 18 8.255 -9.939 -5.017 148 HG1 THR 18 HG1 THR 18 6.366 -11.432 -4.468 149 HG21 THR 18 HG21 THR 18 9.359 -10.952 -3.018 150 HG22 THR 18 HG22 THR 18 8.408 -12.102 -3.953 151 HG23 THR 18 HG23 THR 18 7.759 -11.443 -2.436 152 H LEU 19 HN LEU 19 8.566 -8.918 -0.985 153 HA LEU 19 HA LEU 19 11.238 -7.856 -1.639 154 HB2 LEU 19 HB2 LEU 19 9.263 -7.212 0.607 155 HB3 LEU 19 HB3 LEU 19 10.950 -7.182 0.948 156 HG LEU 19 HG LEU 19 10.814 -5.831 -1.505 157 HD11 LEU 19 HD11 LEU 19 9.345 -4.271 -1.358 158 HD12 LEU 19 HD12 LEU 19 8.528 -5.102 0.051 159 HD13 LEU 19 HD13 LEU 19 8.744 -5.957 -1.528 160 HD21 LEU 19 HD21 LEU 19 10.499 -4.675 1.398 161 HD22 LEU 19 HD22 LEU 19 11.034 -3.721 -0.009 162 HD23 LEU 19 HD23 LEU 19 12.078 -4.984 0.664 163 H ARG 20 HN ARG 20 12.531 -8.254 -0.109 164 HA ARG 20 HA ARG 20 12.250 -10.975 1.266 165 HB2 ARG 20 HB2 ARG 20 13.463 -11.193 -0.911 166 HB3 ARG 20 HB3 ARG 20 14.852 -10.386 -0.145 167 HG2 ARG 20 HG2 ARG 20 14.873 -12.169 1.611 168 HG3 ARG 20 HG3 ARG 20 13.429 -12.872 0.903 169 HD2 ARG 20 HD2 ARG 20 15.192 -14.213 0.078 170 HD3 ARG 20 HD3 ARG 20 14.824 -13.140 -1.280 171 HE ARG 20 HE ARG 20 16.810 -11.963 0.395 172 HH11 ARG 20 HH11 ARG 20 16.545 -14.604 -2.053 173 HH12 ARG 20 HH12 ARG 20 18.247 -14.545 -2.359 174 HH21 ARG 20 HH21 ARG 20 19.088 -12.158 0.027 175 HH22 ARG 20 HH22 ARG 20 19.656 -13.248 -1.203 176 H TYR 21 HN TYR 21 11.856 -9.786 3.222 177 HA TYR 21 HA TYR 21 13.777 -8.132 4.503 178 HB2 TYR 21 HB2 TYR 21 11.327 -8.303 5.015 179 HB3 TYR 21 HB3 TYR 21 11.672 -9.744 5.937 180 HD1 TYR 21 HD2 TYR 21 13.944 -9.262 7.676 181 HD2 TYR 21 HD1 TYR 21 11.086 -6.355 6.220 182 HE1 TYR 21 HE2 TYR 21 14.393 -7.848 9.615 183 HE2 TYR 21 HE1 TYR 21 11.493 -4.982 8.236 184 HH TYR 21 HH TYR 21 12.431 -5.074 10.452 185 H GLY 22 HN GLY 22 15.767 -9.264 4.223 186 HA2 GLY 22 HA2 GLY 22 17.546 -10.479 5.018 187 HA3 GLY 22 HA1 GLY 22 16.592 -10.918 6.450 188 H GLU 23 HN GLU 23 15.745 -12.914 6.565 189 HA GLU 23 HA GLU 23 16.578 -14.772 4.448 190 HB2 GLU 23 HB2 GLU 23 15.293 -15.565 7.035 191 HB3 GLU 23 HB3 GLU 23 16.505 -16.435 6.123 192 HG2 GLU 23 HG2 GLU 23 17.102 -13.860 7.689 193 HG3 GLU 23 HG3 GLU 23 17.082 -15.433 8.401 194 H ASP 24 HN ASP 24 13.760 -12.997 5.121 195 HA ASP 24 HA ASP 24 11.860 -15.241 4.614 196 HB2 ASP 24 HB2 ASP 24 11.389 -12.591 6.011 197 HB3 ASP 24 HB3 ASP 24 10.319 -13.979 5.954 198 H SER 25 HN SER 25 10.181 -14.808 2.875 199 HA SER 25 HA SER 25 10.481 -12.227 1.512 200 HB2 SER 25 HB2 SER 25 9.855 -13.866 -0.484 201 HB3 SER 25 HB3 SER 25 11.514 -13.439 -0.080 202 HG SER 25 HG SER 25 10.239 -15.799 -0.066 203 H TYR 26 HN TYR 26 8.693 -11.219 1.036 204 HA TYR 26 HA TYR 26 6.033 -12.312 1.691 205 HB2 TYR 26 HB2 TYR 26 7.265 -9.559 2.143 206 HB3 TYR 26 HB3 TYR 26 5.741 -10.083 2.776 207 HD1 TYR 26 HD2 TYR 26 6.886 -12.909 3.739 208 HD2 TYR 26 HD1 TYR 26 8.195 -8.870 4.126 209 HE1 TYR 26 HE2 TYR 26 7.892 -13.461 5.962 210 HE2 TYR 26 HE1 TYR 26 9.373 -9.427 6.228 211 HH TYR 26 HH TYR 26 8.929 -10.901 8.079 212 H ASP 27 HN ASP 27 4.494 -11.841 0.091 213 HA ASP 27 HA ASP 27 5.412 -10.313 -2.288 214 HB2 ASP 27 HB2 ASP 27 3.466 -12.636 -2.023 215 HB3 ASP 27 HB3 ASP 27 3.877 -11.826 -3.528 216 H LEU 28 HN LEU 28 4.534 -8.235 -1.424 217 HA LEU 28 HA LEU 28 1.820 -8.311 -0.478 218 HB2 LEU 28 HB2 LEU 28 3.667 -5.936 -0.852 219 HB3 LEU 28 HB3 LEU 28 2.274 -6.030 0.192 220 HG LEU 28 HG LEU 28 5.039 -7.261 0.500 221 HD11 LEU 28 HD11 LEU 28 5.061 -5.427 1.793 222 HD12 LEU 28 HD12 LEU 28 4.298 -6.459 2.988 223 HD13 LEU 28 HD13 LEU 28 3.313 -5.372 2.005 224 HD21 LEU 28 HD21 LEU 28 2.585 -8.479 1.763 225 HD22 LEU 28 HD22 LEU 28 4.185 -8.548 2.541 226 HD23 LEU 28 HD23 LEU 28 3.970 -9.248 0.961 227 HA PRO 29 HA PRO 29 -0.119 -6.725 -4.196 228 HB2 PRO 29 HB2 PRO 29 -2.502 -5.751 -3.232 229 HB3 PRO 29 HB3 PRO 29 -2.142 -7.470 -3.392 230 HG2 PRO 29 HG2 PRO 29 -1.914 -5.708 -0.964 231 HG3 PRO 29 HG3 PRO 29 -2.659 -7.342 -1.052 232 HD2 PRO 29 HD2 PRO 29 -0.114 -6.960 -0.122 233 HD3 PRO 29 HD3 PRO 29 -0.539 -8.400 -1.098 234 H ALA 30 HN ALA 30 -0.462 -4.833 -5.304 235 HA ALA 30 HA ALA 30 0.689 -2.396 -4.510 236 HB1 ALA 30 HB1 ALA 30 0.316 -2.863 -6.828 237 HB2 ALA 30 HB2 ALA 30 -1.442 -3.019 -6.601 238 HB3 ALA 30 HB3 ALA 30 -0.668 -1.436 -6.430 239 H GLU 31 HN GLU 31 -2.760 -3.458 -4.240 240 HA GLU 31 HA GLU 31 -3.654 -0.934 -3.390 241 HB2 GLU 31 HB2 GLU 31 -5.704 -1.826 -2.964 242 HB3 GLU 31 HB3 GLU 31 -5.106 -2.862 -4.219 243 HG2 GLU 31 HG2 GLU 31 -4.693 -4.684 -2.690 244 HG3 GLU 31 HG3 GLU 31 -5.013 -3.649 -1.290 245 H PHE 32 HN PHE 32 -1.999 -3.380 -1.452 246 HA PHE 32 HA PHE 32 -2.830 -2.311 1.126 247 HB2 PHE 32 HB2 PHE 32 -1.888 -4.499 1.143 248 HB3 PHE 32 HB3 PHE 32 -0.501 -4.007 0.173 249 HD1 PHE 32 HD1 PHE 32 -2.077 -3.027 3.470 250 HD2 PHE 32 HD2 PHE 32 1.555 -3.854 1.273 251 HE1 PHE 32 HE1 PHE 32 -0.739 -2.640 5.513 252 HE2 PHE 32 HE2 PHE 32 2.862 -3.511 3.346 253 HZ PHE 32 HZ PHE 32 1.736 -2.890 5.450 254 H LEU 33 HN LEU 33 -0.008 -1.858 -0.998 255 HA LEU 33 HA LEU 33 1.375 0.047 0.561 256 HB2 LEU 33 HB2 LEU 33 1.318 -0.547 -2.419 257 HB3 LEU 33 HB3 LEU 33 2.361 0.682 -1.726 258 HG LEU 33 HG LEU 33 2.578 -1.808 -0.239 259 HD11 LEU 33 HD11 LEU 33 2.035 -2.800 -2.464 260 HD12 LEU 33 HD12 LEU 33 3.586 -3.251 -1.782 261 HD13 LEU 33 HD13 LEU 33 3.507 -2.043 -3.107 262 HD21 LEU 33 HD21 LEU 33 4.981 -1.383 -0.621 263 HD22 LEU 33 HD22 LEU 33 4.164 0.114 -0.163 264 HD23 LEU 33 HD23 LEU 33 4.594 -0.186 -1.859 265 H ARG 34 HN ARG 34 -1.062 0.594 -2.018 266 HA ARG 34 HA ARG 34 -0.848 3.409 -2.013 267 HB2 ARG 34 HB2 ARG 34 -2.082 2.343 -3.807 268 HB3 ARG 34 HB3 ARG 34 -3.121 1.484 -2.682 269 HG2 ARG 34 HG2 ARG 34 -4.400 3.198 -3.797 270 HG3 ARG 34 HG3 ARG 34 -4.297 3.553 -2.086 271 HD2 ARG 34 HD2 ARG 34 -2.328 5.144 -2.717 272 HD3 ARG 34 HD3 ARG 34 -2.844 4.916 -4.385 273 HE ARG 34 HE ARG 34 -4.975 5.906 -3.884 274 HH11 ARG 34 HH11 ARG 34 -2.861 6.044 -1.014 275 HH12 ARG 34 HH12 ARG 34 -3.523 7.530 -0.440 276 HH21 ARG 34 HH21 ARG 34 -5.865 7.857 -3.110 277 HH22 ARG 34 HH22 ARG 34 -5.339 8.572 -1.639 278 H VAL 35 HN VAL 35 -2.830 1.383 0.218 279 HA VAL 35 HA VAL 35 -4.077 3.869 1.195 280 HB VAL 35 HB VAL 35 -5.428 2.498 2.586 281 HG11 VAL 35 HG11 VAL 35 -5.205 1.384 -0.260 282 HG12 VAL 35 HG12 VAL 35 -6.634 1.390 0.766 283 HG13 VAL 35 HG13 VAL 35 -5.975 2.915 0.185 284 HG21 VAL 35 HG21 VAL 35 -3.946 0.050 1.527 285 HG22 VAL 35 HG22 VAL 35 -3.881 0.660 3.194 286 HG23 VAL 35 HG23 VAL 35 -5.404 0.059 2.538 287 H HIS 36 HN HIS 36 -1.438 1.668 2.310 288 HA HIS 36 HA HIS 36 -1.275 3.282 4.757 289 HB2 HIS 36 HB2 HIS 36 -0.776 0.634 4.400 290 HB3 HIS 36 HB3 HIS 36 0.845 1.246 4.258 291 HD1 HIS 36 HD1 HIS 36 -0.299 3.680 6.645 292 HD2 HIS 36 HD2 HIS 36 0.030 -0.534 6.780 293 HE1 HIS 36 HE1 HIS 36 -0.127 3.036 9.063 294 H SER 37 HN SER 37 -0.978 4.858 2.575 295 HA SER 37 HA SER 37 1.869 5.276 1.998 296 HB2 SER 37 HB2 SER 37 0.417 4.767 0.169 297 HB3 SER 37 HB3 SER 37 -0.610 6.165 0.540 298 HG SER 37 HG SER 37 0.730 6.697 -1.080 299 HA PRO 38 HA PRO 38 0.954 8.995 4.676 300 HB2 PRO 38 HB2 PRO 38 3.358 9.254 5.873 301 HB3 PRO 38 HB3 PRO 38 2.199 7.985 6.402 302 HG2 PRO 38 HG2 PRO 38 4.555 7.676 4.516 303 HG3 PRO 38 HG3 PRO 38 4.134 6.676 5.940 304 HD2 PRO 38 HD2 PRO 38 3.400 6.043 3.362 305 HD3 PRO 38 HD3 PRO 38 2.404 5.607 4.798 306 H SER 39 HN SER 39 1.619 11.137 4.172 307 HA SER 39 HA SER 39 3.397 11.516 1.852 308 HB2 SER 39 HB2 SER 39 1.312 13.222 3.256 309 HB3 SER 39 HB3 SER 39 2.270 13.739 1.874 310 HG SER 39 HG SER 39 0.022 12.411 1.844 311 H ALA 40 HN ALA 40 4.778 13.498 1.924 312 HA ALA 40 HA ALA 40 6.429 13.549 4.289 313 HB1 ALA 40 HB1 ALA 40 6.361 15.356 1.849 314 HB2 ALA 40 HB2 ALA 40 7.631 15.353 3.088 315 HB3 ALA 40 HB3 ALA 40 7.390 13.923 2.067 316 H GLU 41 HN GLU 41 3.791 15.432 3.075 317 HA GLU 41 HA GLU 41 4.285 17.765 4.648 318 HB2 GLU 41 HB2 GLU 41 1.821 17.164 2.992 319 HB3 GLU 41 HB3 GLU 41 2.563 18.745 3.356 320 HG2 GLU 41 HG2 GLU 41 4.601 17.951 2.062 321 HG3 GLU 41 HG3 GLU 41 3.646 16.555 1.540 322 H VAL 42 HN VAL 42 3.638 15.413 6.280 323 HA VAL 42 HA VAL 42 0.815 15.651 7.013 324 HB VAL 42 HB VAL 42 3.084 13.730 7.621 325 HG11 VAL 42 HG11 VAL 42 1.442 12.285 8.817 326 HG12 VAL 42 HG12 VAL 42 1.899 13.747 9.689 327 HG13 VAL 42 HG13 VAL 42 0.322 13.671 8.873 328 HG21 VAL 42 HG21 VAL 42 1.763 12.172 6.345 329 HG22 VAL 42 HG22 VAL 42 0.388 13.310 6.276 330 HG23 VAL 42 HG23 VAL 42 1.887 13.662 5.406 331 H GLN 43 HN GLN 43 3.863 16.765 8.181 332 HA GLN 43 HA GLN 43 4.009 16.096 10.670 333 HB2 GLN 43 HB2 GLN 43 4.743 18.903 9.744 334 HB3 GLN 43 HB3 GLN 43 5.216 18.176 11.276 335 HG2 GLN 43 HG2 GLN 43 7.026 17.466 10.172 336 HG3 GLN 43 HG3 GLN 43 5.971 16.142 9.703 337 HE21 GLN 43 HE21 GLN 43 4.608 18.398 7.688 338 HE22 GLN 43 HE22 GLN 43 5.753 18.117 6.361 339 H GLY 44 HN GLY 44 2.251 15.730 11.687 340 HA2 GLY 44 HA2 GLY 44 1.282 16.211 13.873 341 HA3 GLY 44 HA1 GLY 44 1.365 17.931 13.510 342 H HIS 45 HN HIS 45 0.078 16.742 10.773 343 HA HIS 45 HA HIS 45 -2.751 17.160 11.397 344 HB2 HIS 45 HB2 HIS 45 -1.350 16.347 8.819 345 HB3 HIS 45 HB3 HIS 45 -3.040 16.756 9.002 346 HD1 HIS 45 HD1 HIS 45 -3.482 19.115 8.089 347 HD2 HIS 45 HD2 HIS 45 0.337 18.653 9.782 348 HE1 HIS 45 HE1 HIS 45 -2.311 21.376 7.887 349 H GLY 46 HN GLY 46 -1.950 15.254 13.072 350 HA2 GLY 46 HA2 GLY 46 -2.025 12.542 11.955 351 HA3 GLY 46 HA1 GLY 46 -1.856 13.013 13.660 352 H ASN 47 HN ASN 47 -4.128 12.936 10.948 353 HA ASN 47 HA ASN 47 -6.425 12.746 12.847 354 HB2 ASN 47 HB2 ASN 47 -7.814 13.523 10.892 355 HB3 ASN 47 HB3 ASN 47 -6.733 14.699 11.608 356 HD21 ASN 47 HD21 ASN 47 -5.526 12.247 9.193 357 HD22 ASN 47 HD22 ASN 47 -5.139 13.493 8.030 358 HA PRO 48 HA PRO 48 -6.862 8.650 11.096 359 HB2 PRO 48 HB2 PRO 48 -9.357 7.939 11.921 360 HB3 PRO 48 HB3 PRO 48 -7.974 8.082 13.048 361 HG2 PRO 48 HG2 PRO 48 -10.177 10.077 12.530 362 HG3 PRO 48 HG3 PRO 48 -9.484 9.587 14.094 363 HD2 PRO 48 HD2 PRO 48 -8.721 11.885 12.749 364 HD3 PRO 48 HD3 PRO 48 -7.611 10.977 13.813 365 H VAL 49 HN VAL 49 -7.078 8.513 8.873 366 HA VAL 49 HA VAL 49 -9.649 9.187 7.640 367 HB VAL 49 HB VAL 49 -8.178 10.963 7.436 368 HG11 VAL 49 HG11 VAL 49 -6.035 11.120 6.469 369 HG12 VAL 49 HG12 VAL 49 -5.981 10.067 7.864 370 HG13 VAL 49 HG13 VAL 49 -5.944 9.356 6.245 371 HG21 VAL 49 HG21 VAL 49 -8.119 9.564 4.738 372 HG22 VAL 49 HG22 VAL 49 -9.562 10.305 5.450 373 HG23 VAL 49 HG23 VAL 49 -8.172 11.309 5.042 374 H LEU 50 HN LEU 50 -10.287 7.795 6.098 375 HA LEU 50 HA LEU 50 -8.521 5.492 5.460 376 HB2 LEU 50 HB2 LEU 50 -10.402 5.000 7.029 377 HB3 LEU 50 HB3 LEU 50 -11.546 5.741 5.923 378 HG LEU 50 HG LEU 50 -11.012 3.951 4.221 379 HD11 LEU 50 HD11 LEU 50 -8.807 3.244 4.920 380 HD12 LEU 50 HD12 LEU 50 -9.902 1.877 5.176 381 HD13 LEU 50 HD13 LEU 50 -9.386 2.862 6.555 382 HD21 LEU 50 HD21 LEU 50 -12.977 3.881 5.580 383 HD22 LEU 50 HD22 LEU 50 -12.091 3.269 6.968 384 HD23 LEU 50 HD23 LEU 50 -12.333 2.234 5.546 385 H GLN 51 HN GLN 51 -8.187 5.000 3.532 386 HA GLN 51 HA GLN 51 -9.203 6.621 1.308 387 HB2 GLN 51 HB2 GLN 51 -6.875 4.648 1.570 388 HB3 GLN 51 HB3 GLN 51 -7.160 5.760 0.240 389 HG2 GLN 51 HG2 GLN 51 -5.356 6.541 1.655 390 HG3 GLN 51 HG3 GLN 51 -6.687 7.689 1.725 391 HE21 GLN 51 HE21 GLN 51 -6.233 8.617 3.906 392 HE22 GLN 51 HE22 GLN 51 -6.313 7.542 5.286 393 H TYR 52 HN TYR 52 -10.785 5.647 0.007 394 HA TYR 52 HA TYR 52 -10.881 2.732 -0.212 395 HB2 TYR 52 HB2 TYR 52 -13.255 2.599 0.204 396 HB3 TYR 52 HB3 TYR 52 -12.431 3.153 1.578 397 HD1 TYR 52 HD1 TYR 52 -14.665 4.388 -1.153 398 HD2 TYR 52 HD2 TYR 52 -12.619 5.389 2.536 399 HE1 TYR 52 HE1 TYR 52 -15.881 6.501 -1.038 400 HE2 TYR 52 HE2 TYR 52 -13.894 7.489 2.666 401 HH TYR 52 HH TYR 52 -16.241 8.487 0.144 402 H GLY 53 HN GLY 53 -13.025 2.435 -1.848 403 HA2 GLY 53 HA2 GLY 53 -13.458 2.458 -4.114 404 HA3 GLY 53 HA1 GLY 53 -12.978 4.161 -4.123 405 H LYS 54 HN LYS 54 -11.361 1.029 -3.663 406 HA LYS 54 HA LYS 54 -9.222 1.800 -5.484 407 HB2 LYS 54 HB2 LYS 54 -7.392 1.546 -4.140 408 HB3 LYS 54 HB3 LYS 54 -8.506 2.617 -3.321 409 HG2 LYS 54 HG2 LYS 54 -7.872 -0.282 -2.619 410 HG3 LYS 54 HG3 LYS 54 -7.464 1.182 -1.714 411 HD2 LYS 54 HD2 LYS 54 -10.124 1.471 -1.921 412 HD3 LYS 54 HD3 LYS 54 -10.066 -0.275 -1.936 413 HE2 LYS 54 HE2 LYS 54 -8.963 1.692 0.133 414 HE3 LYS 54 HE3 LYS 54 -10.457 0.789 0.351 415 HZ1 LYS 54 HZ1 LYS 54 -9.198 -1.147 0.842 416 HZ2 LYS 54 HZ2 LYS 54 -8.431 0.071 1.573 417 HZ3 LYS 54 HZ3 LYS 54 -7.817 -0.511 0.181 418 H LEU 55 HN LEU 55 -11.392 -0.448 -5.113 419 HA LEU 55 HA LEU 55 -10.097 -2.910 -4.761 420 HB2 LEU 55 HB2 LEU 55 -12.456 -2.642 -4.560 421 HB3 LEU 55 HB3 LEU 55 -12.702 -2.190 -6.228 422 HG LEU 55 HG LEU 55 -12.033 -4.571 -6.847 423 HD11 LEU 55 HD11 LEU 55 -10.598 -5.154 -4.897 424 HD12 LEU 55 HD12 LEU 55 -11.985 -6.244 -4.991 425 HD13 LEU 55 HD13 LEU 55 -11.980 -4.939 -3.801 426 HD21 LEU 55 HD21 LEU 55 -14.366 -3.967 -6.532 427 HD22 LEU 55 HD22 LEU 55 -14.236 -4.222 -4.777 428 HD23 LEU 55 HD23 LEU 55 -14.100 -5.596 -5.910 429 H ASN 56 HN ASN 56 -9.862 -0.845 -7.519 430 HA ASN 56 HA ASN 56 -8.369 -2.961 -8.964 431 HB2 ASN 56 HB2 ASN 56 -9.342 -2.108 -11.092 432 HB3 ASN 56 HB3 ASN 56 -10.430 -3.034 -10.068 433 HD21 ASN 56 HD21 ASN 56 -12.484 -2.176 -10.033 434 HD22 ASN 56 HD22 ASN 56 -12.860 -0.481 -10.214 435 H VAL 57 HN VAL 57 -7.487 -0.679 -7.226 436 HA VAL 57 HA VAL 57 -5.880 1.043 -8.897 437 HB VAL 57 HB VAL 57 -6.097 1.279 -6.444 438 HG11 VAL 57 HG11 VAL 57 -4.247 -1.105 -6.067 439 HG12 VAL 57 HG12 VAL 57 -5.090 -0.113 -4.847 440 HG13 VAL 57 HG13 VAL 57 -5.993 -1.216 -5.884 441 HG21 VAL 57 HG21 VAL 57 -3.983 2.089 -7.704 442 HG22 VAL 57 HG22 VAL 57 -3.841 1.904 -5.941 443 HG23 VAL 57 HG23 VAL 57 -3.155 0.688 -7.029 444 H GLY 58 HN GLY 58 -3.789 0.733 -9.780 445 HA2 GLY 58 HA2 GLY 58 -2.490 -1.764 -8.993 446 HA3 GLY 58 HA1 GLY 58 -2.473 -1.338 -10.713 447 H LEU 59 HN LEU 59 -0.143 -1.613 -9.510 448 HA LEU 59 HA LEU 59 1.036 0.999 -8.817 449 HB2 LEU 59 HB2 LEU 59 1.733 -1.746 -8.472 450 HB3 LEU 59 HB3 LEU 59 2.840 -1.160 -9.687 451 HG LEU 59 HG LEU 59 3.682 -1.089 -7.359 452 HD11 LEU 59 HD11 LEU 59 3.395 1.487 -8.901 453 HD12 LEU 59 HD12 LEU 59 4.769 0.354 -8.898 454 HD13 LEU 59 HD13 LEU 59 4.354 1.370 -7.473 455 HD21 LEU 59 HD21 LEU 59 2.812 0.246 -5.683 456 HD22 LEU 59 HD22 LEU 59 1.341 -0.358 -6.429 457 HD23 LEU 59 HD23 LEU 59 1.922 1.290 -6.798 458 H VAL 60 HN VAL 60 2.311 2.160 -10.257 459 HA VAL 60 HA VAL 60 2.278 1.303 -13.106 460 HB VAL 60 HB VAL 60 2.647 3.925 -13.362 461 HG11 VAL 60 HG11 VAL 60 0.905 2.506 -14.355 462 HG12 VAL 60 HG12 VAL 60 -0.002 2.506 -12.842 463 HG13 VAL 60 HG13 VAL 60 0.197 4.021 -13.777 464 HG21 VAL 60 HG21 VAL 60 0.932 3.784 -10.856 465 HG22 VAL 60 HG22 VAL 60 2.561 4.500 -11.008 466 HG23 VAL 60 HG23 VAL 60 1.192 5.209 -11.882 467 H GLY 61 HN GLY 61 4.301 2.648 -10.500 468 HA2 GLY 61 HA2 GLY 61 6.489 1.071 -11.316 469 HA3 GLY 61 HA1 GLY 61 6.722 2.703 -11.989 470 H VAL 62 HN VAL 62 8.534 1.673 -10.168 471 HA VAL 62 HA VAL 62 8.211 3.617 -8.047 472 HB VAL 62 HB VAL 62 9.245 0.911 -7.229 473 HG11 VAL 62 HG11 VAL 62 7.634 2.826 -5.535 474 HG12 VAL 62 HG12 VAL 62 8.842 1.671 -5.026 475 HG13 VAL 62 HG13 VAL 62 9.317 3.185 -5.850 476 HG21 VAL 62 HG21 VAL 62 7.006 0.378 -6.188 477 HG22 VAL 62 HG22 VAL 62 6.360 1.657 -7.229 478 HG23 VAL 62 HG23 VAL 62 7.073 0.211 -7.956 479 H GLU 63 HN GLU 63 10.222 4.634 -7.808 480 HA GLU 63 HA GLU 63 12.603 3.304 -8.850 481 HB2 GLU 63 HB2 GLU 63 13.206 5.221 -10.380 482 HB3 GLU 63 HB3 GLU 63 11.908 4.168 -10.884 483 HG2 GLU 63 HG2 GLU 63 10.898 6.035 -11.415 484 HG3 GLU 63 HG3 GLU 63 10.393 6.045 -9.734 485 HA PRO 64 HA PRO 64 14.192 4.775 -5.330 486 HB2 PRO 64 HB2 PRO 64 16.893 4.899 -5.713 487 HB3 PRO 64 HB3 PRO 64 15.957 3.394 -5.795 488 HG2 PRO 64 HG2 PRO 64 16.826 5.146 -8.107 489 HG3 PRO 64 HG3 PRO 64 16.989 3.365 -7.955 490 HD2 PRO 64 HD2 PRO 64 14.923 4.570 -9.323 491 HD3 PRO 64 HD3 PRO 64 14.681 3.062 -8.398 492 H ALA 65 HN ALA 65 13.761 6.685 -4.434 493 HA ALA 65 HA ALA 65 14.476 9.214 -5.806 494 HB1 ALA 65 HB1 ALA 65 12.602 8.627 -3.477 495 HB2 ALA 65 HB2 ALA 65 12.899 10.228 -4.196 496 HB3 ALA 65 HB3 ALA 65 12.141 8.949 -5.156 497 H GLY 66 HN GLY 66 16.466 9.995 -5.232 498 HA2 GLY 66 HA2 GLY 66 17.837 11.159 -3.850 499 HA3 GLY 66 HA1 GLY 66 16.781 10.806 -2.492 500 H GLN 67 HN GLN 67 17.399 7.811 -3.187 501 HA GLN 67 HA GLN 67 18.939 6.190 -3.371 502 HB2 GLN 67 HB2 GLN 67 20.762 7.835 -1.687 503 HB3 GLN 67 HB3 GLN 67 21.106 6.334 -2.550 504 HG2 GLN 67 HG2 GLN 67 20.589 7.938 -4.670 505 HG3 GLN 67 HG3 GLN 67 21.046 9.184 -3.488 506 HE21 GLN 67 HE21 GLN 67 22.809 9.763 -4.886 507 HE22 GLN 67 HE22 GLN 67 24.259 8.820 -4.942 508 H TYR 68 HN TYR 68 17.372 7.959 -1.012 509 HA TYR 68 HA TYR 68 17.647 5.783 0.997 510 HB2 TYR 68 HB2 TYR 68 16.741 7.877 2.371 511 HB3 TYR 68 HB3 TYR 68 18.431 7.413 2.281 512 HD1 TYR 68 HD2 TYR 68 15.788 9.774 1.189 513 HD2 TYR 68 HD1 TYR 68 20.007 8.864 1.034 514 HE1 TYR 68 HE2 TYR 68 16.230 12.038 0.392 515 HE2 TYR 68 HE1 TYR 68 20.467 11.092 0.129 516 HH TYR 68 HH TYR 68 17.890 13.621 -0.083 517 H ALA 69 HN ALA 69 15.450 7.004 -1.265 518 HA ALA 69 HA ALA 69 13.147 6.020 0.259 519 HB1 ALA 69 HB1 ALA 69 11.823 7.937 -0.375 520 HB2 ALA 69 HB2 ALA 69 13.270 8.471 0.526 521 HB3 ALA 69 HB3 ALA 69 13.206 8.654 -1.232 522 H LEU 70 HN LEU 70 11.268 5.751 -1.432 523 HA LEU 70 HA LEU 70 12.259 5.084 -4.149 524 HB2 LEU 70 HB2 LEU 70 11.299 3.226 -2.158 525 HB3 LEU 70 HB3 LEU 70 10.137 3.300 -3.482 526 HG LEU 70 HG LEU 70 13.100 2.735 -3.754 527 HD11 LEU 70 HD11 LEU 70 11.789 0.917 -2.640 528 HD12 LEU 70 HD12 LEU 70 12.326 0.407 -4.260 529 HD13 LEU 70 HD13 LEU 70 10.656 0.917 -3.980 530 HD21 LEU 70 HD21 LEU 70 11.472 3.696 -5.759 531 HD22 LEU 70 HD22 LEU 70 11.301 1.963 -5.988 532 HD23 LEU 70 HD23 LEU 70 12.914 2.678 -6.009 533 H LYS 71 HN LYS 71 10.959 6.136 -5.607 534 HA LYS 71 HA LYS 71 8.784 7.861 -4.861 535 HB2 LYS 71 HB2 LYS 71 10.527 8.273 -6.631 536 HB3 LYS 71 HB3 LYS 71 9.898 6.923 -7.540 537 HG2 LYS 71 HG2 LYS 71 7.643 8.115 -7.655 538 HG3 LYS 71 HG3 LYS 71 8.433 9.526 -6.934 539 HD2 LYS 71 HD2 LYS 71 10.009 9.635 -8.799 540 HD3 LYS 71 HD3 LYS 71 9.409 8.100 -9.448 541 HE2 LYS 71 HE2 LYS 71 7.512 10.426 -9.053 542 HE3 LYS 71 HE3 LYS 71 8.604 10.407 -10.441 543 HZ1 LYS 71 HZ1 LYS 71 7.680 8.290 -11.125 544 HZ2 LYS 71 HZ2 LYS 71 6.537 9.459 -11.037 545 HZ3 LYS 71 HZ3 LYS 71 6.611 8.284 -9.883 546 H LEU 72 HN LEU 72 7.042 6.395 -3.990 547 HA LEU 72 HA LEU 72 6.222 4.220 -5.638 548 HB2 LEU 72 HB2 LEU 72 6.090 4.911 -2.946 549 HB3 LEU 72 HB3 LEU 72 4.460 5.216 -3.491 550 HG LEU 72 HG LEU 72 4.293 3.137 -2.894 551 HD11 LEU 72 HD11 LEU 72 3.733 3.015 -5.315 552 HD12 LEU 72 HD12 LEU 72 4.198 1.464 -4.582 553 HD13 LEU 72 HD13 LEU 72 5.365 2.336 -5.569 554 HD21 LEU 72 HD21 LEU 72 7.125 2.544 -3.447 555 HD22 LEU 72 HD22 LEU 72 5.928 1.275 -3.076 556 HD23 LEU 72 HD23 LEU 72 6.207 2.581 -1.923 557 H SER 73 HN SER 73 5.033 4.388 -7.460 558 HA SER 73 HA SER 73 3.312 6.797 -7.805 559 HB2 SER 73 HB2 SER 73 4.612 5.039 -9.911 560 HB3 SER 73 HB3 SER 73 3.767 6.546 -10.190 561 HG SER 73 HG SER 73 6.129 6.181 -8.628 562 H PHE 74 HN PHE 74 1.140 6.343 -7.783 563 HA PHE 74 HA PHE 74 0.244 3.498 -8.059 564 HB2 PHE 74 HB2 PHE 74 -0.755 5.665 -6.148 565 HB3 PHE 74 HB3 PHE 74 -1.435 4.063 -6.330 566 HD1 PHE 74 HD1 PHE 74 -0.040 2.025 -5.649 567 HD2 PHE 74 HD2 PHE 74 1.171 6.060 -4.693 568 HE1 PHE 74 HE1 PHE 74 1.160 1.211 -3.685 569 HE2 PHE 74 HE2 PHE 74 2.274 5.234 -2.648 570 HZ PHE 74 HZ PHE 74 2.221 2.843 -2.084 571 H ASP 75 HN ASP 75 -1.318 3.309 -9.657 572 HA ASP 75 HA ASP 75 -2.199 5.769 -10.948 573 HB2 ASP 75 HB2 ASP 75 -3.212 4.458 -12.634 574 HB3 ASP 75 HB3 ASP 75 -1.581 3.954 -12.326 575 H ASP 76 HN ASP 76 -3.458 4.166 -8.299 576 HA ASP 76 HA ASP 76 -6.244 4.911 -8.620 577 HB2 ASP 76 HB2 ASP 76 -5.625 3.370 -6.894 578 HB3 ASP 76 HB3 ASP 76 -4.538 4.544 -6.125 579 H GLY 77 HN GLY 77 -3.301 6.662 -7.803 580 HA2 GLY 77 HA2 GLY 77 -3.379 9.071 -8.292 581 HA3 GLY 77 HA1 GLY 77 -4.880 9.150 -7.360 582 H HIS 78 HN HIS 78 -3.180 10.813 -6.589 583 HA HIS 78 HA HIS 78 -1.797 11.688 -5.169 584 HB2 HIS 78 HB2 HIS 78 -4.024 11.249 -3.962 585 HB3 HIS 78 HB3 HIS 78 -3.123 10.073 -2.997 586 HD1 HIS 78 HD1 HIS 78 -1.743 11.194 -0.998 587 HD2 HIS 78 HD2 HIS 78 -2.784 13.815 -4.132 588 HE1 HIS 78 HE1 HIS 78 -0.926 13.482 -0.300 589 H ASP 79 HN ASP 79 -0.054 10.560 -6.287 590 HA ASP 79 HA ASP 79 1.495 8.606 -4.852 591 HB2 ASP 79 HB2 ASP 79 3.224 8.998 -6.277 592 HB3 ASP 79 HB3 ASP 79 1.849 9.338 -7.290 593 H SER 80 HN SER 80 2.815 8.858 -3.141 594 HA SER 80 HA SER 80 2.704 11.435 -1.680 595 HB2 SER 80 HB2 SER 80 3.493 8.633 -0.790 596 HB3 SER 80 HB3 SER 80 3.329 10.069 0.242 597 HG SER 80 HG SER 80 1.534 8.396 -0.068 598 H GLY 81 HN GLY 81 4.694 12.222 -0.743 599 HA2 GLY 81 HA2 GLY 81 6.803 12.298 -2.584 600 HA3 GLY 81 HA1 GLY 81 6.842 12.965 -0.953 601 H LEU 82 HN LEU 82 7.003 10.955 0.814 602 HA LEU 82 HA LEU 82 9.640 9.870 0.024 603 HB2 LEU 82 HB2 LEU 82 9.478 12.366 0.835 604 HB3 LEU 82 HB3 LEU 82 9.242 11.681 2.423 605 HG LEU 82 HG LEU 82 11.535 12.274 2.156 606 HD11 LEU 82 HD11 LEU 82 11.409 9.246 1.872 607 HD12 LEU 82 HD12 LEU 82 11.197 10.187 3.362 608 HD13 LEU 82 HD13 LEU 82 12.747 10.194 2.520 609 HD21 LEU 82 HD21 LEU 82 13.000 11.399 0.419 610 HD22 LEU 82 HD22 LEU 82 11.676 12.353 -0.272 611 HD23 LEU 82 HD23 LEU 82 11.630 10.580 -0.375 612 H PHE 83 HN PHE 83 8.500 7.852 0.250 613 HA PHE 83 HA PHE 83 7.474 6.798 2.632 614 HB2 PHE 83 HB2 PHE 83 8.569 5.765 0.064 615 HB3 PHE 83 HB3 PHE 83 8.571 4.602 1.354 616 HD1 PHE 83 HD2 PHE 83 6.413 6.681 -0.820 617 HD2 PHE 83 HD1 PHE 83 6.474 3.696 2.315 618 HE1 PHE 83 HE2 PHE 83 4.002 6.225 -1.173 619 HE2 PHE 83 HE1 PHE 83 4.058 3.254 1.920 620 HZ PHE 83 HZ PHE 83 2.853 4.480 0.240 621 H THR 84 HN THR 84 10.847 6.489 1.484 622 HA THR 84 HA THR 84 12.808 6.220 2.508 623 HB THR 84 HB THR 84 11.697 5.999 5.301 624 HG1 THR 84 HG1 THR 84 10.597 7.744 4.575 625 HG21 THR 84 HG21 THR 84 13.680 7.279 5.854 626 HG22 THR 84 HG22 THR 84 14.074 7.513 4.129 627 HG23 THR 84 HG23 THR 84 14.166 5.901 4.875 628 H TRP 85 HN TRP 85 14.159 4.507 3.222 629 HA TRP 85 HA TRP 85 13.189 2.002 2.569 630 HB2 TRP 85 HB2 TRP 85 15.784 2.858 3.900 631 HB3 TRP 85 HB3 TRP 85 15.455 1.212 3.434 632 HD1 TRP 85 HD1 TRP 85 17.230 3.954 2.018 633 HE1 TRP 85 HE1 TRP 85 17.454 3.788 -0.536 634 HE3 TRP 85 HE3 TRP 85 13.743 0.327 1.155 635 HZ2 TRP 85 HZ2 TRP 85 15.985 2.527 -2.690 636 HZ3 TRP 85 HZ3 TRP 85 13.144 -0.307 -1.149 637 HH2 TRP 85 HH2 TRP 85 14.227 0.852 -3.084 638 H ASP 86 HN ASP 86 13.709 3.126 5.973 639 HA ASP 86 HA ASP 86 13.616 0.543 7.101 640 HB2 ASP 86 HB2 ASP 86 13.009 3.295 8.226 641 HB3 ASP 86 HB3 ASP 86 12.765 1.837 9.198 642 H TYR 87 HN TYR 87 10.980 2.906 6.808 643 HA TYR 87 HA TYR 87 8.860 1.330 7.822 644 HB2 TYR 87 HB2 TYR 87 8.847 3.732 7.691 645 HB3 TYR 87 HB3 TYR 87 8.978 3.689 5.948 646 HD1 TYR 87 HD1 TYR 87 6.719 1.944 8.452 647 HD2 TYR 87 HD2 TYR 87 6.951 4.574 5.032 648 HE1 TYR 87 HE1 TYR 87 4.287 1.996 8.303 649 HE2 TYR 87 HE2 TYR 87 4.536 4.441 4.727 650 HH TYR 87 HH TYR 87 2.545 3.437 5.521 651 H LEU 88 HN LEU 88 10.311 1.379 4.548 652 HA LEU 88 HA LEU 88 8.139 -0.001 3.272 653 HB2 LEU 88 HB2 LEU 88 11.070 0.306 2.616 654 HB3 LEU 88 HB3 LEU 88 10.069 -0.780 1.668 655 HG LEU 88 HG LEU 88 9.610 2.188 1.999 656 HD11 LEU 88 HD11 LEU 88 10.375 2.272 -0.349 657 HD12 LEU 88 HD12 LEU 88 10.885 0.556 -0.195 658 HD13 LEU 88 HD13 LEU 88 11.590 1.781 0.842 659 HD21 LEU 88 HD21 LEU 88 8.131 0.122 0.315 660 HD22 LEU 88 HD22 LEU 88 8.031 1.874 0.049 661 HD23 LEU 88 HD23 LEU 88 7.460 1.200 1.560 662 H TYR 89 HN TYR 89 11.101 -1.245 4.878 663 HA TYR 89 HA TYR 89 10.363 -4.034 4.220 664 HB2 TYR 89 HB2 TYR 89 12.704 -2.654 5.340 665 HB3 TYR 89 HB3 TYR 89 12.293 -4.091 6.224 666 HD1 TYR 89 HD1 TYR 89 11.298 -5.963 3.894 667 HD2 TYR 89 HD2 TYR 89 14.699 -3.313 4.322 668 HE1 TYR 89 HE1 TYR 89 12.512 -7.252 2.265 669 HE2 TYR 89 HE2 TYR 89 15.994 -4.777 2.835 670 HH TYR 89 HH TYR 89 15.024 -7.914 1.838 671 H GLU 90 HN GLU 90 10.032 -1.770 6.959 672 HA GLU 90 HA GLU 90 9.064 -3.598 8.871 673 HB2 GLU 90 HB2 GLU 90 9.678 -1.149 9.131 674 HB3 GLU 90 HB3 GLU 90 8.131 -0.746 8.370 675 HG2 GLU 90 HG2 GLU 90 6.958 -2.039 10.178 676 HG3 GLU 90 HG3 GLU 90 8.542 -2.306 10.943 677 H LEU 91 HN LEU 91 7.215 -1.599 6.478 678 HA LEU 91 HA LEU 91 4.735 -2.898 6.807 679 HB2 LEU 91 HB2 LEU 91 6.068 -1.527 4.439 680 HB3 LEU 91 HB3 LEU 91 4.402 -2.084 4.355 681 HG LEU 91 HG LEU 91 5.371 -0.077 6.426 682 HD11 LEU 91 HD11 LEU 91 3.845 1.408 4.719 683 HD12 LEU 91 HD12 LEU 91 4.520 0.303 3.568 684 HD13 LEU 91 HD13 LEU 91 5.615 1.268 4.572 685 HD21 LEU 91 HD21 LEU 91 3.315 -1.262 7.014 686 HD22 LEU 91 HD22 LEU 91 2.571 -0.758 5.462 687 HD23 LEU 91 HD23 LEU 91 3.001 0.437 6.695 688 H ALA 92 HN ALA 92 7.541 -3.929 4.783 689 HA ALA 92 HA ALA 92 6.261 -6.054 3.422 690 HB1 ALA 92 HB1 ALA 92 9.093 -6.380 4.380 691 HB2 ALA 92 HB2 ALA 92 8.263 -7.049 2.964 692 HB3 ALA 92 HB3 ALA 92 8.645 -5.316 3.009 693 H THR 93 HN THR 93 7.803 -6.083 6.593 694 HA THR 93 HA THR 93 6.940 -8.868 7.003 695 HB THR 93 HB THR 93 9.205 -7.930 7.523 696 HG1 THR 93 HG1 THR 93 9.462 -9.152 9.361 697 HG21 THR 93 HG21 THR 93 7.905 -6.699 9.920 698 HG22 THR 93 HG22 THR 93 8.592 -5.887 8.488 699 HG23 THR 93 HG23 THR 93 9.646 -6.813 9.564 700 H ARG 94 HN ARG 94 5.170 -6.208 7.120 701 HA ARG 94 HA ARG 94 3.550 -7.084 9.487 702 HB2 ARG 94 HB2 ARG 94 4.235 -4.280 8.503 703 HB3 ARG 94 HB3 ARG 94 3.103 -4.621 9.800 704 HG2 ARG 94 HG2 ARG 94 5.992 -5.547 10.004 705 HG3 ARG 94 HG3 ARG 94 5.514 -3.921 10.391 706 HD2 ARG 94 HD2 ARG 94 5.386 -5.126 12.458 707 HD3 ARG 94 HD3 ARG 94 3.713 -4.974 11.888 708 HE ARG 94 HE ARG 94 5.137 -7.366 10.983 709 HH11 ARG 94 HH11 ARG 94 3.008 -6.112 13.557 710 HH12 ARG 94 HH12 ARG 94 2.526 -7.688 14.091 711 HH21 ARG 94 HH21 ARG 94 4.316 -9.429 11.566 712 HH22 ARG 94 HH22 ARG 94 3.434 -9.613 13.041 713 H LYS 95 HN LYS 95 3.447 -6.426 6.125 714 HA LYS 95 HA LYS 95 1.041 -5.285 5.717 715 HB2 LYS 95 HB2 LYS 95 2.398 -5.857 3.937 716 HB3 LYS 95 HB3 LYS 95 2.372 -7.579 4.241 717 HG2 LYS 95 HG2 LYS 95 -0.218 -6.145 3.484 718 HG3 LYS 95 HG3 LYS 95 1.030 -6.446 2.294 719 HD2 LYS 95 HD2 LYS 95 0.115 -8.401 1.862 720 HD3 LYS 95 HD3 LYS 95 0.863 -8.926 3.345 721 HE2 LYS 95 HE2 LYS 95 -1.182 -9.646 3.853 722 HE3 LYS 95 HE3 LYS 95 -1.446 -7.986 4.402 723 HZ1 LYS 95 HZ1 LYS 95 -3.148 -9.021 2.954 724 HZ2 LYS 95 HZ2 LYS 95 -2.111 -9.001 1.718 725 HZ3 LYS 95 HZ3 LYS 95 -2.635 -7.557 2.389 726 H ASP 96 HN ASP 96 1.380 -8.782 6.232 727 HA ASP 96 HA ASP 96 -1.372 -9.261 5.928 728 HB2 ASP 96 HB2 ASP 96 0.738 -10.848 6.038 729 HB3 ASP 96 HB3 ASP 96 0.223 -11.044 7.714 730 H GLN 97 HN GLN 97 0.266 -8.255 8.883 731 HA GLN 97 HA GLN 97 -2.050 -8.573 10.601 732 HB2 GLN 97 HB2 GLN 97 0.284 -8.590 11.414 733 HB3 GLN 97 HB3 GLN 97 0.532 -6.948 10.839 734 HG2 GLN 97 HG2 GLN 97 0.204 -7.027 13.263 735 HG3 GLN 97 HG3 GLN 97 -1.053 -6.075 12.477 736 HE21 GLN 97 HE21 GLN 97 -3.066 -6.464 13.288 737 HE22 GLN 97 HE22 GLN 97 -3.580 -7.961 14.028 738 H LEU 98 HN LEU 98 -0.455 -5.769 9.030 739 HA LEU 98 HA LEU 98 -2.326 -3.763 9.756 740 HB2 LEU 98 HB2 LEU 98 -0.210 -4.157 7.616 741 HB3 LEU 98 HB3 LEU 98 -1.262 -2.758 7.556 742 HG LEU 98 HG LEU 98 -0.426 -1.723 9.321 743 HD11 LEU 98 HD11 LEU 98 0.979 -2.650 11.107 744 HD12 LEU 98 HD12 LEU 98 0.754 -4.288 10.430 745 HD13 LEU 98 HD13 LEU 98 -0.635 -3.361 11.083 746 HD21 LEU 98 HD21 LEU 98 1.284 -1.970 7.556 747 HD22 LEU 98 HD22 LEU 98 1.930 -3.397 8.349 748 HD23 LEU 98 HD23 LEU 98 2.047 -1.808 9.143 749 H TRP 99 HN TRP 99 -2.273 -5.958 7.030 750 HA TRP 99 HA TRP 99 -4.306 -4.557 5.532 751 HB2 TRP 99 HB2 TRP 99 -2.694 -6.067 4.448 752 HB3 TRP 99 HB3 TRP 99 -3.408 -7.452 5.300 753 HD1 TRP 99 HD1 TRP 99 -5.174 -8.713 3.907 754 HE1 TRP 99 HE1 TRP 99 -6.702 -8.176 1.907 755 HE3 TRP 99 HE3 TRP 99 -4.261 -3.677 3.478 756 HZ2 TRP 99 HZ2 TRP 99 -7.569 -5.872 0.482 757 HZ3 TRP 99 HZ3 TRP 99 -5.550 -2.322 1.863 758 HH2 TRP 99 HH2 TRP 99 -7.230 -3.421 0.389 759 H ALA 100 HN ALA 100 -4.387 -7.340 7.819 760 HA ALA 100 HA ALA 100 -7.221 -7.743 7.623 761 HB1 ALA 100 HB1 ALA 100 -6.798 -8.778 9.935 762 HB2 ALA 100 HB2 ALA 100 -5.907 -9.461 8.554 763 HB3 ALA 100 HB3 ALA 100 -5.087 -8.371 9.684 764 H ASP 101 HN ASP 101 -5.263 -5.288 9.157 765 HA ASP 101 HA ASP 101 -7.423 -4.166 10.765 766 HB2 ASP 101 HB2 ASP 101 -4.913 -4.039 11.234 767 HB3 ASP 101 HB3 ASP 101 -4.845 -2.784 9.991 768 H TYR 102 HN TYR 102 -5.723 -3.070 7.745 769 HA TYR 102 HA TYR 102 -7.607 -1.037 7.194 770 HB2 TYR 102 HB2 TYR 102 -5.405 -2.394 5.719 771 HB3 TYR 102 HB3 TYR 102 -6.653 -1.735 4.690 772 HD1 TYR 102 HD2 TYR 102 -7.549 0.705 5.539 773 HD2 TYR 102 HD1 TYR 102 -3.612 -0.915 6.229 774 HE1 TYR 102 HE2 TYR 102 -6.650 3.010 5.831 775 HE2 TYR 102 HE1 TYR 102 -2.728 1.382 6.554 776 HH TYR 102 HH TYR 102 -4.888 4.150 6.773 777 H LEU 103 HN LEU 103 -7.876 -4.493 6.431 778 HA LEU 103 HA LEU 103 -10.247 -4.293 4.809 779 HB2 LEU 103 HB2 LEU 103 -9.020 -6.424 6.609 780 HB3 LEU 103 HB3 LEU 103 -10.574 -6.669 5.836 781 HG LEU 103 HG LEU 103 -7.991 -6.075 4.309 782 HD11 LEU 103 HD11 LEU 103 -9.427 -8.683 4.950 783 HD12 LEU 103 HD12 LEU 103 -7.796 -8.188 5.453 784 HD13 LEU 103 HD13 LEU 103 -8.136 -8.528 3.745 785 HD21 LEU 103 HD21 LEU 103 -9.909 -5.406 3.013 786 HD22 LEU 103 HD22 LEU 103 -10.745 -6.942 3.357 787 HD23 LEU 103 HD23 LEU 103 -9.274 -6.919 2.356 788 H ALA 104 HN ALA 104 -9.599 -4.430 8.336 789 HA ALA 104 HA ALA 104 -12.318 -4.856 9.080 790 HB1 ALA 104 HB1 ALA 104 -10.177 -3.435 10.715 791 HB2 ALA 104 HB2 ALA 104 -11.642 -4.228 11.301 792 HB3 ALA 104 HB3 ALA 104 -10.352 -5.203 10.590 793 H GLU 105 HN GLU 105 -10.332 -1.849 8.826 794 HA GLU 105 HA GLU 105 -12.362 0.006 9.222 795 HB2 GLU 105 HB2 GLU 105 -9.785 -0.098 7.697 796 HB3 GLU 105 HB3 GLU 105 -10.884 1.207 7.277 797 HG2 GLU 105 HG2 GLU 105 -10.300 0.638 10.181 798 HG3 GLU 105 HG3 GLU 105 -9.152 1.529 9.204 799 H LEU 106 HN LEU 106 -11.499 -1.483 6.032 800 HA LEU 106 HA LEU 106 -13.799 -0.234 4.801 801 HB2 LEU 106 HB2 LEU 106 -11.534 -1.943 3.921 802 HB3 LEU 106 HB3 LEU 106 -13.004 -2.420 3.192 803 HG LEU 106 HG LEU 106 -12.090 -0.809 1.606 804 HD11 LEU 106 HD11 LEU 106 -14.513 -0.317 2.421 805 HD12 LEU 106 HD12 LEU 106 -13.631 0.888 1.466 806 HD13 LEU 106 HD13 LEU 106 -13.775 1.094 3.209 807 HD21 LEU 106 HD21 LEU 106 -10.326 -0.008 3.139 808 HD22 LEU 106 HD22 LEU 106 -11.522 0.949 3.998 809 HD23 LEU 106 HD23 LEU 106 -11.146 1.335 2.316 810 H ALA 107 HN ALA 107 -13.879 -2.543 6.955 811 HA ALA 107 HA ALA 107 -16.508 -3.667 6.045 812 HB1 ALA 107 HB1 ALA 107 -14.600 -4.714 8.148 813 HB2 ALA 107 HB2 ALA 107 -16.072 -5.518 7.552 814 HB3 ALA 107 HB3 ALA 107 -14.648 -5.337 6.478 815 H SER 108 HN SER 108 -15.187 -1.369 8.014 816 HA SER 108 HA SER 108 -17.219 -1.594 10.185 817 HB2 SER 108 HB2 SER 108 -14.913 -1.863 10.916 818 HB3 SER 108 HB3 SER 108 -14.414 -0.422 10.036 819 HG SER 108 HG SER 108 -14.946 0.748 11.573 820 H ALA 109 HN ALA 109 -15.453 0.618 8.042 821 HA ALA 109 HA ALA 109 -16.921 2.979 8.790 822 HB1 ALA 109 HB1 ALA 109 -14.559 3.011 7.995 823 HB2 ALA 109 HB2 ALA 109 -15.092 2.462 6.393 824 HB3 ALA 109 HB3 ALA 109 -15.589 4.050 7.010 825 H GLY 110 HN GLY 110 -18.081 0.359 6.911 826 HA2 GLY 110 HA2 GLY 110 -19.968 0.203 5.649 827 HA3 GLY 110 HA1 GLY 110 -20.311 1.895 5.998 828 H LYS 111 HN LYS 111 -17.214 1.717 4.600 829 HA LYS 111 HA LYS 111 -18.316 2.632 2.004 830 HB2 LYS 111 HB2 LYS 111 -15.390 2.456 2.701 831 HB3 LYS 111 HB3 LYS 111 -16.155 3.411 1.445 832 HG2 LYS 111 HG2 LYS 111 -16.391 3.898 4.449 833 HG3 LYS 111 HG3 LYS 111 -15.367 4.780 3.343 834 HD2 LYS 111 HD2 LYS 111 -17.233 5.702 2.146 835 HD3 LYS 111 HD3 LYS 111 -18.403 4.686 3.004 836 HE2 LYS 111 HE2 LYS 111 -16.566 6.416 4.634 837 HE3 LYS 111 HE3 LYS 111 -17.853 7.197 3.707 838 HZ1 LYS 111 HZ1 LYS 111 -18.485 6.628 5.998 839 HZ2 LYS 111 HZ2 LYS 111 -18.331 5.036 5.672 840 HZ3 LYS 111 HZ3 LYS 111 -19.466 5.926 4.872 841 H SER 112 HN SER 112 -16.601 1.577 0.138 842 HA SER 112 HA SER 112 -15.943 -1.165 0.943 843 HB2 SER 112 HB2 SER 112 -17.623 -0.472 -1.427 844 HB3 SER 112 HB3 SER 112 -16.827 -2.041 -1.239 845 HG SER 112 HG SER 112 -18.001 -2.242 0.780 846 H ARG 113 HN ARG 113 -14.614 -2.199 -0.586 847 HA ARG 113 HA ARG 113 -12.448 -0.478 -1.418 848 HB2 ARG 113 HB2 ARG 113 -13.026 -3.340 -2.293 849 HB3 ARG 113 HB3 ARG 113 -11.467 -2.536 -2.345 850 HG2 ARG 113 HG2 ARG 113 -12.555 -2.453 0.392 851 HG3 ARG 113 HG3 ARG 113 -12.715 -4.028 -0.250 852 HD2 ARG 113 HD2 ARG 113 -10.161 -2.443 0.056 853 HD3 ARG 113 HD3 ARG 113 -10.685 -3.783 1.082 854 HE ARG 113 HE ARG 113 -9.208 -3.892 -1.318 855 HH11 ARG 113 HH11 ARG 113 -11.856 -5.751 0.316 856 HH12 ARG 113 HH12 ARG 113 -11.515 -7.189 -0.540 857 HH21 ARG 113 HH21 ARG 113 -8.715 -5.857 -2.309 858 HH22 ARG 113 HH22 ARG 113 -9.594 -7.313 -2.005 859 H ASP 114 HN ASP 114 -15.347 -1.800 -2.948 860 HA ASP 114 HA ASP 114 -14.833 -1.372 -5.689 861 HB2 ASP 114 HB2 ASP 114 -17.218 -1.502 -3.911 862 HB3 ASP 114 HB3 ASP 114 -17.399 -0.459 -5.316 863 HA PRO 115 HA PRO 115 -14.816 3.152 -5.788 864 HB2 PRO 115 HB2 PRO 115 -15.137 3.571 -8.462 865 HB3 PRO 115 HB3 PRO 115 -13.619 2.920 -7.767 866 HG2 PRO 115 HG2 PRO 115 -15.851 1.402 -9.111 867 HG3 PRO 115 HG3 PRO 115 -14.080 1.199 -9.309 868 HD2 PRO 115 HD2 PRO 115 -15.659 -0.362 -7.648 869 HD3 PRO 115 HD3 PRO 115 -13.922 -0.087 -7.356 870 H ASP 116 HN ASP 116 -17.369 1.227 -7.318 871 HA ASP 116 HA ASP 116 -19.345 3.187 -6.311 872 HB2 ASP 116 HB2 ASP 116 -18.886 3.533 -8.744 873 HB3 ASP 116 HB3 ASP 116 -19.446 1.880 -9.052 874 H GLU 117 HN GLU 117 -19.224 1.735 -4.548 875 HA GLU 117 HA GLU 117 -19.838 -0.985 -4.792 876 HB2 GLU 117 HB2 GLU 117 -19.670 -1.126 -2.581 877 HB3 GLU 117 HB3 GLU 117 -18.632 0.216 -3.032 878 HG2 GLU 117 HG2 GLU 117 -19.664 1.175 -1.265 879 HG3 GLU 117 HG3 GLU 117 -20.710 1.635 -2.623 880 H SER 118 HN SER 118 -21.683 -2.156 -4.206 881 HA SER 118 HA SER 118 -24.275 -0.812 -4.067 882 HB2 SER 118 HB2 SER 118 -23.501 -2.712 -6.288 883 HB3 SER 118 HB3 SER 118 -25.154 -2.211 -5.864 884 HG SER 118 HG SER 118 -23.795 -0.971 -7.599 885 H VAL 119 HN VAL 119 -24.214 -1.704 -1.998 886 HA VAL 119 HA VAL 119 -24.134 -4.640 -1.724 887 HB VAL 119 HB VAL 119 -23.048 -3.488 -0.015 888 HG11 VAL 119 HG11 VAL 119 -24.181 -1.827 1.481 889 HG12 VAL 119 HG12 VAL 119 -23.892 -1.276 -0.179 890 HG13 VAL 119 HG13 VAL 119 -25.509 -1.757 0.284 891 HG21 VAL 119 HG21 VAL 119 -24.425 -5.445 0.575 892 HG22 VAL 119 HG22 VAL 119 -24.140 -4.313 1.919 893 HG23 VAL 119 HG23 VAL 119 -25.724 -4.347 1.097 894 H VAL 120 HN VAL 120 -25.725 -5.144 -3.131 895 HA VAL 120 HA VAL 120 -27.795 -5.502 -3.971 896 HB VAL 120 HB VAL 120 -28.436 -5.971 -1.052 897 HG11 VAL 120 HG11 VAL 120 -29.942 -7.719 -1.936 898 HG12 VAL 120 HG12 VAL 120 -30.409 -6.145 -2.587 899 HG13 VAL 120 HG13 VAL 120 -29.498 -7.281 -3.604 900 HG21 VAL 120 HG21 VAL 120 -26.977 -7.682 -3.097 901 HG22 VAL 120 HG22 VAL 120 -26.350 -7.096 -1.538 902 HG23 VAL 120 HG23 VAL 120 -27.626 -8.306 -1.560 903 H LYS 121 HN LYS 121 -27.874 -3.327 -4.635 904 HA LYS 121 HA LYS 121 -29.466 -1.227 -3.851 905 HB2 LYS 121 HB2 LYS 121 -29.623 -2.667 -6.549 906 HB3 LYS 121 HB3 LYS 121 -30.302 -1.069 -6.233 907 HG2 LYS 121 HG2 LYS 121 -28.104 -0.141 -5.829 908 HG3 LYS 121 HG3 LYS 121 -27.342 -1.736 -6.000 909 HD2 LYS 121 HD2 LYS 121 -28.112 -1.804 -8.382 910 HD3 LYS 121 HD3 LYS 121 -28.813 -0.177 -8.178 911 HE2 LYS 121 HE2 LYS 121 -26.538 0.650 -7.472 912 HE3 LYS 121 HE3 LYS 121 -25.895 -0.958 -7.793 913 HZ1 LYS 121 HZ1 LYS 121 -25.461 0.545 -9.563 914 HZ2 LYS 121 HZ2 LYS 121 -27.041 0.820 -9.861 915 HZ3 LYS 121 HZ3 LYS 121 -26.379 -0.672 -10.124 916 H LEU 122 HN LEU 122 -31.630 -0.792 -3.544 917 HA LEU 122 HA LEU 122 -33.578 -2.852 -3.181 918 HB2 LEU 122 HB2 LEU 122 -33.699 0.153 -3.576 919 HB3 LEU 122 HB3 LEU 122 -35.186 -0.779 -3.585 920 HG LEU 122 HG LEU 122 -33.211 -0.966 -1.280 921 HD11 LEU 122 HD11 LEU 122 -35.624 0.879 -1.551 922 HD12 LEU 122 HD12 LEU 122 -33.916 1.377 -1.494 923 HD13 LEU 122 HD13 LEU 122 -34.661 0.627 -0.074 924 HD21 LEU 122 HD21 LEU 122 -35.207 -1.761 -0.037 925 HD22 LEU 122 HD22 LEU 122 -34.873 -2.809 -1.415 926 HD23 LEU 122 HD23 LEU 122 -36.190 -1.623 -1.509 927 H MET 123 HN MET 123 -35.525 -3.201 -4.523 928 HA MET 123 HA MET 123 -34.978 -3.215 -7.394 929 HB2 MET 123 HB2 MET 123 -33.748 -5.095 -5.911 930 HB3 MET 123 HB3 MET 123 -35.341 -5.813 -5.870 931 HG2 MET 123 HG2 MET 123 -34.224 -6.816 -7.696 932 HG3 MET 123 HG3 MET 123 -35.283 -5.634 -8.460 933 HE1 MET 123 HE1 MET 123 -33.115 -6.847 -10.192 934 HE2 MET 123 HE2 MET 123 -34.094 -5.458 -10.718 935 HE3 MET 123 HE3 MET 123 -32.328 -5.428 -10.922 936 H LEU 124 HN LEU 124 -36.860 -5.321 -7.769 937 HA LEU 124 HA LEU 124 -39.373 -4.614 -6.456 938 HB2 LEU 124 HB2 LEU 124 -38.827 -6.526 -8.785 939 HB3 LEU 124 HB3 LEU 124 -40.352 -6.338 -7.938 940 HG LEU 124 HG LEU 124 -39.029 -4.222 -9.697 941 HD11 LEU 124 HD11 LEU 124 -39.908 -6.169 -10.935 942 HD12 LEU 124 HD12 LEU 124 -40.866 -4.716 -11.258 943 HD13 LEU 124 HD13 LEU 124 -41.487 -5.964 -10.155 944 HD21 LEU 124 HD21 LEU 124 -40.351 -3.143 -7.937 945 HD22 LEU 124 HD22 LEU 124 -41.733 -4.203 -8.280 946 HD23 LEU 124 HD23 LEU 124 -41.195 -3.008 -9.487 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 21.359 -2.015 13.317 2 HA2 GLY 1 HA2 GLY 1 21.122 -2.452 10.968 3 HA3 GLY 1 HA1 GLY 1 20.003 -3.493 11.845 4 H MET 2 HN MET 2 20.367 -1.029 9.548 5 HA MET 2 HA MET 2 17.626 -0.153 9.221 6 HB2 MET 2 HB2 MET 2 18.329 0.719 7.166 7 HB3 MET 2 HB3 MET 2 19.595 1.023 8.357 8 HG2 MET 2 HG2 MET 2 20.180 -1.483 7.285 9 HG3 MET 2 HG3 MET 2 19.622 -0.565 5.901 10 HE1 MET 2 HE1 MET 2 22.365 2.488 6.168 11 HE2 MET 2 HE2 MET 2 20.655 2.183 5.800 12 HE3 MET 2 HE3 MET 2 21.173 2.439 7.479 13 H ARG 3 HN ARG 3 16.462 -0.825 7.091 14 HA ARG 3 HA ARG 3 16.671 -3.708 6.486 15 HB2 ARG 3 HB2 ARG 3 14.394 -2.201 7.765 16 HB3 ARG 3 HB3 ARG 3 13.949 -3.291 6.505 17 HG2 ARG 3 HG2 ARG 3 15.793 -4.560 8.431 18 HG3 ARG 3 HG3 ARG 3 14.279 -3.963 9.140 19 HD2 ARG 3 HD2 ARG 3 12.999 -5.137 7.406 20 HD3 ARG 3 HD3 ARG 3 14.462 -5.797 6.726 21 HE ARG 3 HE ARG 3 13.251 -6.348 9.388 22 HH11 ARG 3 HH11 ARG 3 15.259 -7.652 6.716 23 HH12 ARG 3 HH12 ARG 3 15.722 -9.066 7.605 24 HH21 ARG 3 HH21 ARG 3 13.624 -8.380 10.380 25 HH22 ARG 3 HH22 ARG 3 14.741 -9.501 9.701 26 H ILE 4 HN ILE 4 17.922 -2.674 4.756 27 HA ILE 4 HA ILE 4 16.356 -1.115 2.755 28 HB ILE 4 HB ILE 4 19.325 -1.767 3.034 29 HG12 ILE 4 HG12 ILE 4 17.835 0.870 2.810 30 HG13 ILE 4 HG13 ILE 4 18.209 0.147 4.359 31 HG21 ILE 4 HG21 ILE 4 18.746 -1.915 0.611 32 HG22 ILE 4 HG22 ILE 4 17.941 -0.338 0.703 33 HG23 ILE 4 HG23 ILE 4 19.680 -0.468 0.921 34 HD11 ILE 4 HD11 ILE 4 20.624 0.284 3.849 35 HD12 ILE 4 HD12 ILE 4 20.251 1.113 2.318 36 HD13 ILE 4 HD13 ILE 4 19.817 1.869 3.844 37 HA PRO 5 HA PRO 5 15.666 -5.114 0.956 38 HB2 PRO 5 HB2 PRO 5 14.650 -4.430 -1.525 39 HB3 PRO 5 HB3 PRO 5 13.741 -4.247 0.010 40 HG2 PRO 5 HG2 PRO 5 15.330 -2.172 -1.475 41 HG3 PRO 5 HG3 PRO 5 13.677 -2.036 -0.790 42 HD2 PRO 5 HD2 PRO 5 15.911 -1.106 0.483 43 HD3 PRO 5 HD3 PRO 5 14.545 -1.818 1.397 44 H SER 6 HN SER 6 16.020 -6.420 -0.897 45 HA SER 6 HA SER 6 18.520 -5.839 -2.390 46 HB2 SER 6 HB2 SER 6 17.718 -8.531 -1.223 47 HB3 SER 6 HB3 SER 6 19.177 -8.158 -2.143 48 HG SER 6 HG SER 6 19.648 -6.595 -0.457 49 H ALA 7 HN ALA 7 15.232 -6.630 -2.511 50 HA ALA 7 HA ALA 7 15.445 -7.288 -5.404 51 HB1 ALA 7 HB1 ALA 7 14.858 -9.383 -4.238 52 HB2 ALA 7 HB2 ALA 7 13.478 -8.575 -3.463 53 HB3 ALA 7 HB3 ALA 7 13.510 -8.774 -5.216 54 H ILE 8 HN ILE 8 14.499 -5.636 -6.512 55 HA ILE 8 HA ILE 8 12.006 -4.481 -5.391 56 HB ILE 8 HB ILE 8 13.800 -3.071 -7.378 57 HG12 ILE 8 HG12 ILE 8 15.041 -2.981 -5.359 58 HG13 ILE 8 HG13 ILE 8 14.381 -1.407 -5.767 59 HG21 ILE 8 HG21 ILE 8 11.459 -2.512 -7.645 60 HG22 ILE 8 HG22 ILE 8 11.258 -2.253 -5.918 61 HG23 ILE 8 HG23 ILE 8 12.267 -1.141 -6.881 62 HD11 ILE 8 HD11 ILE 8 14.179 -1.662 -3.419 63 HD12 ILE 8 HD12 ILE 8 12.541 -1.813 -4.077 64 HD13 ILE 8 HD13 ILE 8 13.426 -3.268 -3.574 65 H GLN 9 HN GLN 9 10.445 -5.548 -6.369 66 HA GLN 9 HA GLN 9 10.444 -5.772 -9.315 67 HB2 GLN 9 HB2 GLN 9 9.610 -7.835 -7.246 68 HB3 GLN 9 HB3 GLN 9 8.782 -7.734 -8.794 69 HG2 GLN 9 HG2 GLN 9 10.999 -8.023 -9.943 70 HG3 GLN 9 HG3 GLN 9 11.722 -8.350 -8.353 71 HE21 GLN 9 HE21 GLN 9 10.194 -10.083 -7.057 72 HE22 GLN 9 HE22 GLN 9 9.682 -11.435 -8.009 73 H LEU 10 HN LEU 10 8.589 -4.765 -10.094 74 HA LEU 10 HA LEU 10 6.589 -3.829 -8.122 75 HB2 LEU 10 HB2 LEU 10 6.380 -1.941 -9.263 76 HB3 LEU 10 HB3 LEU 10 8.062 -2.225 -9.638 77 HG LEU 10 HG LEU 10 5.684 -2.668 -11.508 78 HD11 LEU 10 HD11 LEU 10 6.635 -0.783 -12.718 79 HD12 LEU 10 HD12 LEU 10 7.935 -0.630 -11.532 80 HD13 LEU 10 HD13 LEU 10 6.258 -0.305 -11.055 81 HD21 LEU 10 HD21 LEU 10 7.391 -4.305 -12.146 82 HD22 LEU 10 HD22 LEU 10 8.662 -3.095 -11.989 83 HD23 LEU 10 HD23 LEU 10 7.446 -2.967 -13.276 84 H HIS 11 HN HIS 11 7.189 -6.124 -10.477 85 HA HIS 11 HA HIS 11 6.080 -7.373 -11.932 86 HB2 HIS 11 HB2 HIS 11 4.220 -7.430 -9.582 87 HB3 HIS 11 HB3 HIS 11 3.995 -8.458 -10.990 88 HD1 HIS 11 HD1 HIS 11 5.593 -10.555 -11.231 89 HD2 HIS 11 HD2 HIS 11 6.298 -8.061 -7.942 90 HE1 HIS 11 HE1 HIS 11 7.339 -11.727 -9.814 91 H LYS 12 HN LYS 12 5.832 -5.617 -13.507 92 HA LYS 12 HA LYS 12 3.465 -4.032 -13.702 93 HB2 LYS 12 HB2 LYS 12 5.704 -4.853 -15.448 94 HB3 LYS 12 HB3 LYS 12 4.228 -4.574 -16.343 95 HG2 LYS 12 HG2 LYS 12 5.153 -2.499 -14.326 96 HG3 LYS 12 HG3 LYS 12 5.944 -2.637 -15.893 97 HD2 LYS 12 HD2 LYS 12 4.298 -0.979 -16.141 98 HD3 LYS 12 HD3 LYS 12 3.774 -2.384 -17.051 99 HE2 LYS 12 HE2 LYS 12 2.254 -2.981 -15.118 100 HE3 LYS 12 HE3 LYS 12 2.715 -1.441 -14.331 101 HZ1 LYS 12 HZ1 LYS 12 0.622 -1.571 -15.802 102 HZ2 LYS 12 HZ2 LYS 12 1.618 -1.518 -17.066 103 HZ3 LYS 12 HZ3 LYS 12 1.598 -0.248 -16.001 104 H ALA 13 HN ALA 13 3.975 -7.419 -14.303 105 HA ALA 13 HA ALA 13 1.685 -8.209 -15.631 106 HB1 ALA 13 HB1 ALA 13 3.150 -9.450 -13.258 107 HB2 ALA 13 HB2 ALA 13 1.934 -10.268 -14.237 108 HB3 ALA 13 HB3 ALA 13 3.459 -9.744 -14.979 109 H SER 14 HN SER 14 1.882 -8.077 -12.002 110 HA SER 14 HA SER 14 -1.101 -7.872 -11.953 111 HB2 SER 14 HB2 SER 14 0.767 -9.402 -10.116 112 HB3 SER 14 HB3 SER 14 -0.990 -9.253 -9.912 113 HG SER 14 HG SER 14 -1.183 -10.174 -12.033 114 H LYS 15 HN LYS 15 1.392 -5.924 -11.531 115 HA LYS 15 HA LYS 15 1.947 -4.130 -10.419 116 HB2 LYS 15 HB2 LYS 15 -0.887 -3.826 -9.459 117 HB3 LYS 15 HB3 LYS 15 0.302 -2.598 -9.787 118 HG2 LYS 15 HG2 LYS 15 -0.522 -2.312 -11.841 119 HG3 LYS 15 HG3 LYS 15 -0.035 -3.886 -12.316 120 HD2 LYS 15 HD2 LYS 15 -2.087 -4.857 -11.981 121 HD3 LYS 15 HD3 LYS 15 -2.578 -3.753 -10.710 122 HE2 LYS 15 HE2 LYS 15 -3.968 -3.247 -12.516 123 HE3 LYS 15 HE3 LYS 15 -2.818 -1.917 -12.320 124 HZ1 LYS 15 HZ1 LYS 15 -3.378 -3.144 -14.625 125 HZ2 LYS 15 HZ2 LYS 15 -1.983 -3.898 -14.226 126 HZ3 LYS 15 HZ3 LYS 15 -2.045 -2.254 -14.363 127 H THR 16 HN THR 16 3.117 -5.769 -9.144 128 HA THR 16 HA THR 16 2.144 -5.942 -6.344 129 HB THR 16 HB THR 16 3.758 -8.120 -7.656 130 HG1 THR 16 HG1 THR 16 1.939 -9.144 -8.269 131 HG21 THR 16 HG21 THR 16 1.685 -7.990 -5.446 132 HG22 THR 16 HG22 THR 16 3.467 -8.172 -5.296 133 HG23 THR 16 HG23 THR 16 2.485 -9.451 -6.037 134 H LEU 17 HN LEU 17 3.557 -5.123 -4.907 135 HA LEU 17 HA LEU 17 6.334 -4.533 -5.683 136 HB2 LEU 17 HB2 LEU 17 5.142 -2.757 -4.626 137 HB3 LEU 17 HB3 LEU 17 4.650 -3.779 -3.276 138 HG LEU 17 HG LEU 17 6.855 -3.934 -2.393 139 HD11 LEU 17 HD11 LEU 17 8.837 -2.809 -3.521 140 HD12 LEU 17 HD12 LEU 17 7.818 -2.680 -4.969 141 HD13 LEU 17 HD13 LEU 17 8.275 -4.264 -4.340 142 HD21 LEU 17 HD21 LEU 17 5.601 -1.755 -2.167 143 HD22 LEU 17 HD22 LEU 17 6.667 -1.065 -3.407 144 HD23 LEU 17 HD23 LEU 17 7.341 -1.666 -1.870 145 H THR 18 HN THR 18 7.519 -6.374 -5.529 146 HA THR 18 HA THR 18 6.865 -8.268 -3.306 147 HB THR 18 HB THR 18 8.546 -8.733 -5.770 148 HG1 THR 18 HG1 THR 18 6.231 -8.551 -5.949 149 HG21 THR 18 HG21 THR 18 7.654 -10.717 -3.632 150 HG22 THR 18 HG22 THR 18 9.305 -10.098 -3.839 151 HG23 THR 18 HG23 THR 18 8.574 -11.069 -5.115 152 H LEU 19 HN LEU 19 8.250 -8.531 -1.688 153 HA LEU 19 HA LEU 19 10.825 -7.052 -1.724 154 HB2 LEU 19 HB2 LEU 19 8.679 -7.045 0.439 155 HB3 LEU 19 HB3 LEU 19 10.312 -6.452 0.679 156 HG LEU 19 HG LEU 19 8.372 -5.260 -1.314 157 HD11 LEU 19 HD11 LEU 19 9.279 -4.255 1.428 158 HD12 LEU 19 HD12 LEU 19 7.675 -4.917 1.038 159 HD13 LEU 19 HD13 LEU 19 8.203 -3.405 0.296 160 HD21 LEU 19 HD21 LEU 19 10.010 -3.374 -1.361 161 HD22 LEU 19 HD22 LEU 19 10.704 -4.856 -2.005 162 HD23 LEU 19 HD23 LEU 19 11.126 -4.318 -0.355 163 H ARG 20 HN ARG 20 12.289 -7.875 -0.070 164 HA ARG 20 HA ARG 20 11.952 -10.773 0.506 165 HB2 ARG 20 HB2 ARG 20 13.560 -10.200 -1.315 166 HB3 ARG 20 HB3 ARG 20 14.497 -9.251 -0.163 167 HG2 ARG 20 HG2 ARG 20 14.744 -11.349 1.237 168 HG3 ARG 20 HG3 ARG 20 13.935 -12.247 0.009 169 HD2 ARG 20 HD2 ARG 20 16.088 -12.624 -0.683 170 HD3 ARG 20 HD3 ARG 20 15.708 -11.215 -1.664 171 HE ARG 20 HE ARG 20 16.687 -9.977 0.461 172 HH11 ARG 20 HH11 ARG 20 18.009 -13.123 -0.647 173 HH12 ARG 20 HH12 ARG 20 19.441 -12.885 0.328 174 HH21 ARG 20 HH21 ARG 20 18.537 -9.755 1.558 175 HH22 ARG 20 HH22 ARG 20 19.834 -10.883 1.440 176 H TYR 21 HN TYR 21 11.002 -10.035 2.582 177 HA TYR 21 HA TYR 21 12.488 -8.542 4.532 178 HB2 TYR 21 HB2 TYR 21 10.003 -8.774 4.500 179 HB3 TYR 21 HB3 TYR 21 10.185 -10.461 4.975 180 HD1 TYR 21 HD1 TYR 21 10.992 -11.057 7.247 181 HD2 TYR 21 HD2 TYR 21 10.423 -6.921 6.124 182 HE1 TYR 21 HE1 TYR 21 11.078 -10.391 9.606 183 HE2 TYR 21 HE2 TYR 21 10.544 -6.243 8.447 184 HH TYR 21 HH TYR 21 10.282 -8.624 11.035 185 H GLY 22 HN GLY 22 14.518 -9.402 4.756 186 HA2 GLY 22 HA2 GLY 22 16.176 -10.824 5.478 187 HA3 GLY 22 HA1 GLY 22 14.952 -11.693 6.420 188 H GLU 23 HN GLU 23 14.155 -13.567 5.639 189 HA GLU 23 HA GLU 23 15.479 -14.754 3.288 190 HB2 GLU 23 HB2 GLU 23 15.101 -16.809 4.161 191 HB3 GLU 23 HB3 GLU 23 15.725 -15.773 5.462 192 HG2 GLU 23 HG2 GLU 23 13.489 -15.505 6.403 193 HG3 GLU 23 HG3 GLU 23 12.840 -16.276 4.929 194 H ASP 24 HN ASP 24 12.422 -13.553 4.349 195 HA ASP 24 HA ASP 24 10.937 -15.589 2.814 196 HB2 ASP 24 HB2 ASP 24 10.163 -13.413 4.794 197 HB3 ASP 24 HB3 ASP 24 8.944 -14.247 3.815 198 H SER 25 HN SER 25 9.183 -15.060 1.192 199 HA SER 25 HA SER 25 9.597 -12.494 -0.152 200 HB2 SER 25 HB2 SER 25 8.336 -14.731 -1.560 201 HB3 SER 25 HB3 SER 25 9.596 -13.641 -2.078 202 HG SER 25 HG SER 25 10.104 -16.016 -1.724 203 H TYR 26 HN TYR 26 8.043 -11.188 0.079 204 HA TYR 26 HA TYR 26 5.198 -12.030 0.327 205 HB2 TYR 26 HB2 TYR 26 6.585 -9.492 1.281 206 HB3 TYR 26 HB3 TYR 26 4.923 -9.972 1.626 207 HD1 TYR 26 HD2 TYR 26 5.902 -12.997 2.249 208 HD2 TYR 26 HD1 TYR 26 7.182 -9.139 3.575 209 HE1 TYR 26 HE2 TYR 26 6.578 -13.981 4.403 210 HE2 TYR 26 HE1 TYR 26 7.882 -10.099 5.743 211 HH TYR 26 HH TYR 26 6.717 -13.127 6.822 212 H ASP 27 HN ASP 27 3.961 -11.432 -1.461 213 HA ASP 27 HA ASP 27 5.087 -9.407 -3.284 214 HB2 ASP 27 HB2 ASP 27 4.441 -10.457 -5.142 215 HB3 ASP 27 HB3 ASP 27 5.025 -11.747 -4.142 216 H LEU 28 HN LEU 28 4.328 -7.718 -2.003 217 HA LEU 28 HA LEU 28 1.566 -7.704 -1.192 218 HB2 LEU 28 HB2 LEU 28 3.705 -5.518 -1.168 219 HB3 LEU 28 HB3 LEU 28 2.113 -5.387 -0.432 220 HG LEU 28 HG LEU 28 3.015 -7.807 0.595 221 HD11 LEU 28 HD11 LEU 28 5.413 -5.964 0.766 222 HD12 LEU 28 HD12 LEU 28 5.321 -7.367 -0.315 223 HD13 LEU 28 HD13 LEU 28 5.223 -7.582 1.437 224 HD21 LEU 28 HD21 LEU 28 3.468 -5.137 1.958 225 HD22 LEU 28 HD22 LEU 28 3.148 -6.726 2.697 226 HD23 LEU 28 HD23 LEU 28 1.884 -5.908 1.790 227 HA PRO 29 HA PRO 29 0.158 -5.883 -4.981 228 HB2 PRO 29 HB2 PRO 29 -2.377 -5.208 -4.356 229 HB3 PRO 29 HB3 PRO 29 -1.861 -6.880 -4.464 230 HG2 PRO 29 HG2 PRO 29 -2.203 -5.234 -1.984 231 HG3 PRO 29 HG3 PRO 29 -2.692 -6.936 -2.288 232 HD2 PRO 29 HD2 PRO 29 -0.392 -6.306 -0.948 233 HD3 PRO 29 HD3 PRO 29 -0.550 -7.744 -2.008 234 H ALA 30 HN ALA 30 -0.430 -3.914 -6.047 235 HA ALA 30 HA ALA 30 0.570 -1.544 -4.988 236 HB1 ALA 30 HB1 ALA 30 -1.503 -1.897 -7.209 237 HB2 ALA 30 HB2 ALA 30 -0.631 -0.410 -6.844 238 HB3 ALA 30 HB3 ALA 30 0.296 -1.821 -7.368 239 H GLU 31 HN GLU 31 -2.929 -2.691 -4.773 240 HA GLU 31 HA GLU 31 -3.747 -0.183 -3.731 241 HB2 GLU 31 HB2 GLU 31 -5.731 -1.110 -2.985 242 HB3 GLU 31 HB3 GLU 31 -5.390 -1.811 -4.554 243 HG2 GLU 31 HG2 GLU 31 -5.056 -3.204 -1.849 244 HG3 GLU 31 HG3 GLU 31 -6.459 -3.307 -2.863 245 H PHE 32 HN PHE 32 -2.380 -3.057 -2.050 246 HA PHE 32 HA PHE 32 -3.149 -2.298 0.570 247 HB2 PHE 32 HB2 PHE 32 -2.316 -4.479 0.211 248 HB3 PHE 32 HB3 PHE 32 -0.834 -3.892 -0.534 249 HD1 PHE 32 HD1 PHE 32 1.043 -3.076 0.774 250 HD2 PHE 32 HD2 PHE 32 -2.537 -4.537 2.724 251 HE1 PHE 32 HE1 PHE 32 2.269 -3.274 2.899 252 HE2 PHE 32 HE2 PHE 32 -1.272 -4.720 4.846 253 HZ PHE 32 HZ PHE 32 1.131 -4.162 4.919 254 H LEU 33 HN LEU 33 -0.388 -1.210 -1.391 255 HA LEU 33 HA LEU 33 0.825 0.298 0.788 256 HB2 LEU 33 HB2 LEU 33 1.244 0.256 -2.219 257 HB3 LEU 33 HB3 LEU 33 2.050 1.403 -1.152 258 HG LEU 33 HG LEU 33 2.453 -0.985 0.218 259 HD11 LEU 33 HD11 LEU 33 3.369 -2.559 -1.506 260 HD12 LEU 33 HD12 LEU 33 2.559 -1.600 -2.750 261 HD13 LEU 33 HD13 LEU 33 1.623 -2.412 -1.488 262 HD21 LEU 33 HD21 LEU 33 4.764 -0.727 -0.449 263 HD22 LEU 33 HD22 LEU 33 4.027 0.849 -0.175 264 HD23 LEU 33 HD23 LEU 33 4.280 0.266 -1.842 265 H ARG 34 HN ARG 34 -1.292 1.227 -1.994 266 HA ARG 34 HA ARG 34 -1.189 4.019 -1.475 267 HB2 ARG 34 HB2 ARG 34 -2.051 3.178 -3.558 268 HB3 ARG 34 HB3 ARG 34 -3.303 2.250 -2.742 269 HG2 ARG 34 HG2 ARG 34 -4.241 4.163 -3.829 270 HG3 ARG 34 HG3 ARG 34 -4.486 4.275 -2.089 271 HD2 ARG 34 HD2 ARG 34 -2.048 5.670 -3.164 272 HD3 ARG 34 HD3 ARG 34 -3.584 6.294 -3.763 273 HE ARG 34 HE ARG 34 -4.200 6.296 -1.193 274 HH11 ARG 34 HH11 ARG 34 -1.316 7.777 -2.785 275 HH12 ARG 34 HH12 ARG 34 -0.943 8.649 -1.366 276 HH21 ARG 34 HH21 ARG 34 -3.397 7.365 0.720 277 HH22 ARG 34 HH22 ARG 34 -2.138 8.536 0.492 278 H VAL 35 HN VAL 35 -3.500 1.545 -0.172 279 HA VAL 35 HA VAL 35 -4.959 3.525 1.368 280 HB VAL 35 HB VAL 35 -6.141 1.757 2.306 281 HG11 VAL 35 HG11 VAL 35 -5.600 0.840 -0.545 282 HG12 VAL 35 HG12 VAL 35 -7.139 0.957 0.317 283 HG13 VAL 35 HG13 VAL 35 -6.293 2.420 -0.237 284 HG21 VAL 35 HG21 VAL 35 -4.370 0.124 2.840 285 HG22 VAL 35 HG22 VAL 35 -5.690 -0.622 1.930 286 HG23 VAL 35 HG23 VAL 35 -4.154 -0.228 1.124 287 H HIS 36 HN HIS 36 -1.923 1.831 2.006 288 HA HIS 36 HA HIS 36 -1.845 3.048 4.726 289 HB2 HIS 36 HB2 HIS 36 -1.774 0.480 4.408 290 HB3 HIS 36 HB3 HIS 36 -0.105 0.738 3.943 291 HD1 HIS 36 HD1 HIS 36 1.084 2.648 5.998 292 HD2 HIS 36 HD2 HIS 36 -2.020 -0.005 7.033 293 HE1 HIS 36 HE1 HIS 36 1.035 2.534 8.510 294 H SER 37 HN SER 37 -1.422 4.870 2.787 295 HA SER 37 HA SER 37 1.535 5.004 2.397 296 HB2 SER 37 HB2 SER 37 0.311 5.150 0.351 297 HB3 SER 37 HB3 SER 37 -0.859 6.264 1.054 298 HG SER 37 HG SER 37 1.895 6.944 0.631 299 HA PRO 38 HA PRO 38 1.217 8.266 5.521 300 HB2 PRO 38 HB2 PRO 38 3.774 9.108 5.625 301 HB3 PRO 38 HB3 PRO 38 3.293 7.470 6.152 302 HG2 PRO 38 HG2 PRO 38 4.534 8.242 3.499 303 HG3 PRO 38 HG3 PRO 38 4.974 6.894 4.594 304 HD2 PRO 38 HD2 PRO 38 3.290 6.605 2.427 305 HD3 PRO 38 HD3 PRO 38 3.151 5.618 3.903 306 H SER 39 HN SER 39 0.226 10.219 5.103 307 HA SER 39 HA SER 39 0.307 11.149 2.375 308 HB2 SER 39 HB2 SER 39 -1.695 11.120 4.001 309 HB3 SER 39 HB3 SER 39 -1.008 12.658 4.589 310 HG SER 39 HG SER 39 -2.589 12.759 2.782 311 H ALA 40 HN ALA 40 2.134 11.999 1.792 312 HA ALA 40 HA ALA 40 3.767 13.696 3.451 313 HB1 ALA 40 HB1 ALA 40 4.866 12.312 1.806 314 HB2 ALA 40 HB2 ALA 40 4.030 13.190 0.480 315 HB3 ALA 40 HB3 ALA 40 5.212 14.014 1.501 316 H GLU 41 HN GLU 41 0.976 14.452 1.567 317 HA GLU 41 HA GLU 41 1.839 17.092 0.769 318 HB2 GLU 41 HB2 GLU 41 -1.001 15.991 0.994 319 HB3 GLU 41 HB3 GLU 41 -0.510 17.304 -0.065 320 HG2 GLU 41 HG2 GLU 41 0.445 14.429 -0.450 321 HG3 GLU 41 HG3 GLU 41 -1.068 15.048 -1.099 322 H VAL 42 HN VAL 42 1.476 16.222 3.568 323 HA VAL 42 HA VAL 42 -0.559 18.138 4.629 324 HB VAL 42 HB VAL 42 0.351 15.473 5.763 325 HG11 VAL 42 HG11 VAL 42 -1.785 15.552 7.034 326 HG12 VAL 42 HG12 VAL 42 -0.676 16.844 7.496 327 HG13 VAL 42 HG13 VAL 42 -2.053 17.208 6.436 328 HG21 VAL 42 HG21 VAL 42 -0.731 15.056 3.625 329 HG22 VAL 42 HG22 VAL 42 -1.917 14.698 4.881 330 HG23 VAL 42 HG23 VAL 42 -2.017 16.229 3.989 331 H GLN 43 HN GLN 43 2.710 17.802 4.532 332 HA GLN 43 HA GLN 43 4.403 18.993 5.429 333 HB2 GLN 43 HB2 GLN 43 2.304 20.888 6.490 334 HB3 GLN 43 HB3 GLN 43 3.940 21.267 5.971 335 HG2 GLN 43 HG2 GLN 43 1.549 20.529 4.254 336 HG3 GLN 43 HG3 GLN 43 2.473 22.030 4.249 337 HE21 GLN 43 HE21 GLN 43 1.878 19.690 2.208 338 HE22 GLN 43 HE22 GLN 43 3.442 19.404 1.485 339 H GLY 44 HN GLY 44 3.123 16.881 7.121 340 HA2 GLY 44 HA2 GLY 44 4.687 16.618 9.238 341 HA3 GLY 44 HA1 GLY 44 3.485 17.753 9.908 342 H HIS 45 HN HIS 45 1.204 17.020 9.963 343 HA HIS 45 HA HIS 45 0.500 14.450 9.009 344 HB2 HIS 45 HB2 HIS 45 1.679 14.439 11.643 345 HB3 HIS 45 HB3 HIS 45 -0.027 14.230 11.872 346 HD1 HIS 45 HD1 HIS 45 0.197 11.644 12.560 347 HD2 HIS 45 HD2 HIS 45 1.869 12.674 8.820 348 HE1 HIS 45 HE1 HIS 45 0.631 9.466 11.337 349 H GLY 46 HN GLY 46 -1.763 13.845 9.923 350 HA2 GLY 46 HA2 GLY 46 -3.465 16.058 10.686 351 HA3 GLY 46 HA1 GLY 46 -3.665 15.523 9.006 352 H ASN 47 HN ASN 47 -5.865 15.173 10.446 353 HA ASN 47 HA ASN 47 -6.042 12.740 11.958 354 HB2 ASN 47 HB2 ASN 47 -8.455 13.027 11.773 355 HB3 ASN 47 HB3 ASN 47 -7.718 14.589 12.065 356 HD21 ASN 47 HD21 ASN 47 -9.369 12.547 9.513 357 HD22 ASN 47 HD22 ASN 47 -9.871 13.956 8.661 358 HA PRO 48 HA PRO 48 -5.953 9.779 8.759 359 HB2 PRO 48 HB2 PRO 48 -7.689 7.782 9.528 360 HB3 PRO 48 HB3 PRO 48 -6.120 8.105 10.335 361 HG2 PRO 48 HG2 PRO 48 -8.873 9.092 11.150 362 HG3 PRO 48 HG3 PRO 48 -7.620 8.317 12.180 363 HD2 PRO 48 HD2 PRO 48 -7.904 10.998 12.084 364 HD3 PRO 48 HD3 PRO 48 -6.265 10.266 12.155 365 H VAL 49 HN VAL 49 -7.094 8.856 7.008 366 HA VAL 49 HA VAL 49 -9.809 9.865 6.369 367 HB VAL 49 HB VAL 49 -7.276 10.230 4.703 368 HG11 VAL 49 HG11 VAL 49 -10.132 10.619 3.796 369 HG12 VAL 49 HG12 VAL 49 -8.691 11.234 2.957 370 HG13 VAL 49 HG13 VAL 49 -8.900 9.502 3.132 371 HG21 VAL 49 HG21 VAL 49 -9.299 12.251 5.765 372 HG22 VAL 49 HG22 VAL 49 -7.650 12.022 6.371 373 HG23 VAL 49 HG23 VAL 49 -7.901 12.632 4.729 374 H LEU 50 HN LEU 50 -10.887 8.435 4.871 375 HA LEU 50 HA LEU 50 -9.955 5.686 4.948 376 HB2 LEU 50 HB2 LEU 50 -12.389 6.866 5.244 377 HB3 LEU 50 HB3 LEU 50 -12.405 6.730 3.503 378 HG LEU 50 HG LEU 50 -13.519 4.899 4.274 379 HD11 LEU 50 HD11 LEU 50 -10.864 3.613 3.899 380 HD12 LEU 50 HD12 LEU 50 -11.888 4.274 2.577 381 HD13 LEU 50 HD13 LEU 50 -12.484 2.956 3.607 382 HD21 LEU 50 HD21 LEU 50 -11.307 4.348 6.276 383 HD22 LEU 50 HD22 LEU 50 -12.750 3.345 6.066 384 HD23 LEU 50 HD23 LEU 50 -12.900 4.998 6.658 385 H GLN 51 HN GLN 51 -9.399 4.522 3.132 386 HA GLN 51 HA GLN 51 -8.962 5.979 0.554 387 HB2 GLN 51 HB2 GLN 51 -7.341 3.834 1.989 388 HB3 GLN 51 HB3 GLN 51 -7.019 4.400 0.344 389 HG2 GLN 51 HG2 GLN 51 -7.096 6.301 2.716 390 HG3 GLN 51 HG3 GLN 51 -5.654 5.421 2.325 391 HE21 GLN 51 HE21 GLN 51 -6.383 8.301 2.226 392 HE22 GLN 51 HE22 GLN 51 -6.012 8.918 0.640 393 H TYR 52 HN TYR 52 -10.467 5.192 -0.902 394 HA TYR 52 HA TYR 52 -11.004 2.297 -1.067 395 HB2 TYR 52 HB2 TYR 52 -13.389 2.778 -1.323 396 HB3 TYR 52 HB3 TYR 52 -12.885 3.153 0.264 397 HD1 TYR 52 HD1 TYR 52 -14.043 4.306 -3.021 398 HD2 TYR 52 HD2 TYR 52 -12.763 5.758 0.840 399 HE1 TYR 52 HE1 TYR 52 -14.785 6.540 -3.644 400 HE2 TYR 52 HE2 TYR 52 -13.563 8.029 0.204 401 HH TYR 52 HH TYR 52 -15.034 8.777 -2.929 402 H GLY 53 HN GLY 53 -12.569 2.169 -3.280 403 HA2 GLY 53 HA2 GLY 53 -12.453 2.280 -5.557 404 HA3 GLY 53 HA1 GLY 53 -11.920 3.962 -5.387 405 H LYS 54 HN LYS 54 -10.758 0.641 -5.062 406 HA LYS 54 HA LYS 54 -7.982 1.309 -5.925 407 HB2 LYS 54 HB2 LYS 54 -8.760 -0.017 -3.299 408 HB3 LYS 54 HB3 LYS 54 -7.117 0.218 -3.871 409 HG2 LYS 54 HG2 LYS 54 -9.007 2.442 -3.137 410 HG3 LYS 54 HG3 LYS 54 -7.813 1.774 -2.065 411 HD2 LYS 54 HD2 LYS 54 -6.005 2.623 -3.313 412 HD3 LYS 54 HD3 LYS 54 -6.992 2.988 -4.728 413 HE2 LYS 54 HE2 LYS 54 -7.815 4.354 -2.186 414 HE3 LYS 54 HE3 LYS 54 -6.270 4.866 -2.890 415 HZ1 LYS 54 HZ1 LYS 54 -8.820 4.857 -4.347 416 HZ2 LYS 54 HZ2 LYS 54 -7.326 5.340 -4.923 417 HZ3 LYS 54 HZ3 LYS 54 -8.076 6.180 -3.727 418 H LEU 55 HN LEU 55 -10.571 -0.805 -6.291 419 HA LEU 55 HA LEU 55 -9.365 -3.329 -6.000 420 HB2 LEU 55 HB2 LEU 55 -11.819 -2.709 -6.205 421 HB3 LEU 55 HB3 LEU 55 -11.585 -2.616 -7.954 422 HG LEU 55 HG LEU 55 -11.061 -5.067 -7.967 423 HD11 LEU 55 HD11 LEU 55 -11.519 -6.377 -5.867 424 HD12 LEU 55 HD12 LEU 55 -11.600 -4.859 -4.954 425 HD13 LEU 55 HD13 LEU 55 -10.078 -5.372 -5.719 426 HD21 LEU 55 HD21 LEU 55 -13.571 -4.318 -6.415 427 HD22 LEU 55 HD22 LEU 55 -13.335 -5.799 -7.347 428 HD23 LEU 55 HD23 LEU 55 -13.393 -4.239 -8.180 429 H ASN 56 HN ASN 56 -8.638 -1.017 -8.401 430 HA ASN 56 HA ASN 56 -7.084 -3.004 -9.930 431 HB2 ASN 56 HB2 ASN 56 -7.855 -1.920 -12.058 432 HB3 ASN 56 HB3 ASN 56 -9.072 -2.862 -11.227 433 HD21 ASN 56 HD21 ASN 56 -11.012 -1.908 -10.833 434 HD22 ASN 56 HD22 ASN 56 -11.331 -0.198 -10.998 435 H VAL 57 HN VAL 57 -6.427 -0.859 -7.881 436 HA VAL 57 HA VAL 57 -4.931 1.217 -9.166 437 HB VAL 57 HB VAL 57 -4.229 -0.403 -6.679 438 HG11 VAL 57 HG11 VAL 57 -3.182 2.325 -7.594 439 HG12 VAL 57 HG12 VAL 57 -2.778 1.531 -6.053 440 HG13 VAL 57 HG13 VAL 57 -2.230 0.833 -7.569 441 HG21 VAL 57 HG21 VAL 57 -4.934 2.032 -5.725 442 HG22 VAL 57 HG22 VAL 57 -6.101 1.815 -7.047 443 HG23 VAL 57 HG23 VAL 57 -5.906 0.583 -5.763 444 H GLY 58 HN GLY 58 -2.870 1.227 -10.031 445 HA2 GLY 58 HA2 GLY 58 -1.396 -1.278 -10.017 446 HA3 GLY 58 HA1 GLY 58 -1.582 -0.443 -11.565 447 H LEU 59 HN LEU 59 0.995 -0.817 -10.765 448 HA LEU 59 HA LEU 59 1.777 1.675 -9.444 449 HB2 LEU 59 HB2 LEU 59 2.244 -1.013 -8.848 450 HB3 LEU 59 HB3 LEU 59 3.710 -0.526 -9.692 451 HG LEU 59 HG LEU 59 3.820 -0.320 -7.351 452 HD11 LEU 59 HD11 LEU 59 4.566 2.167 -7.265 453 HD12 LEU 59 HD12 LEU 59 4.102 2.208 -8.949 454 HD13 LEU 59 HD13 LEU 59 5.364 1.070 -8.424 455 HD21 LEU 59 HD21 LEU 59 2.666 1.324 -6.002 456 HD22 LEU 59 HD22 LEU 59 1.477 0.318 -6.833 457 HD23 LEU 59 HD23 LEU 59 1.824 1.975 -7.406 458 H VAL 60 HN VAL 60 2.732 3.102 -10.489 459 HA VAL 60 HA VAL 60 3.402 2.620 -13.335 460 HB VAL 60 HB VAL 60 3.389 5.240 -13.172 461 HG11 VAL 60 HG11 VAL 60 1.921 3.802 -14.613 462 HG12 VAL 60 HG12 VAL 60 0.878 3.480 -13.187 463 HG13 VAL 60 HG13 VAL 60 0.961 5.119 -13.890 464 HG21 VAL 60 HG21 VAL 60 2.918 5.533 -10.870 465 HG22 VAL 60 HG22 VAL 60 1.530 6.095 -11.809 466 HG23 VAL 60 HG23 VAL 60 1.439 4.532 -10.982 467 H GLY 61 HN GLY 61 4.865 3.544 -10.389 468 HA2 GLY 61 HA2 GLY 61 7.429 2.782 -11.397 469 HA3 GLY 61 HA1 GLY 61 7.391 4.536 -11.345 470 H VAL 62 HN VAL 62 9.281 3.228 -9.998 471 HA VAL 62 HA VAL 62 8.939 3.678 -7.184 472 HB VAL 62 HB VAL 62 7.557 1.897 -7.236 473 HG11 VAL 62 HG11 VAL 62 8.133 0.885 -9.531 474 HG12 VAL 62 HG12 VAL 62 9.502 0.066 -8.736 475 HG13 VAL 62 HG13 VAL 62 7.810 -0.265 -8.252 476 HG21 VAL 62 HG21 VAL 62 10.190 0.775 -6.310 477 HG22 VAL 62 HG22 VAL 62 8.954 1.725 -5.390 478 HG23 VAL 62 HG23 VAL 62 8.593 0.080 -5.944 479 H GLU 63 HN GLU 63 10.789 4.521 -6.998 480 HA GLU 63 HA GLU 63 13.345 3.105 -7.481 481 HB2 GLU 63 HB2 GLU 63 12.444 5.780 -8.519 482 HB3 GLU 63 HB3 GLU 63 14.082 5.635 -8.090 483 HG2 GLU 63 HG2 GLU 63 13.131 3.382 -9.819 484 HG3 GLU 63 HG3 GLU 63 12.949 5.008 -10.512 485 HA PRO 64 HA PRO 64 14.568 4.702 -3.508 486 HB2 PRO 64 HB2 PRO 64 17.191 5.427 -3.925 487 HB3 PRO 64 HB3 PRO 64 16.608 3.753 -3.760 488 HG2 PRO 64 HG2 PRO 64 17.210 5.303 -6.287 489 HG3 PRO 64 HG3 PRO 64 17.680 3.623 -5.877 490 HD2 PRO 64 HD2 PRO 64 15.496 4.220 -7.437 491 HD3 PRO 64 HD3 PRO 64 15.498 2.812 -6.311 492 H ALA 65 HN ALA 65 13.789 6.657 -2.695 493 HA ALA 65 HA ALA 65 13.982 9.106 -4.305 494 HB1 ALA 65 HB1 ALA 65 11.897 8.394 -2.886 495 HB2 ALA 65 HB2 ALA 65 12.854 8.847 -1.468 496 HB3 ALA 65 HB3 ALA 65 12.456 10.056 -2.698 497 H GLY 66 HN GLY 66 16.423 8.017 -3.374 498 HA2 GLY 66 HA2 GLY 66 18.287 9.591 -2.599 499 HA3 GLY 66 HA1 GLY 66 17.301 9.777 -1.125 500 H GLN 67 HN GLN 67 18.505 8.604 0.392 501 HA GLN 67 HA GLN 67 19.362 5.825 -0.357 502 HB2 GLN 67 HB2 GLN 67 20.843 7.759 1.454 503 HB3 GLN 67 HB3 GLN 67 21.345 6.127 0.985 504 HG2 GLN 67 HG2 GLN 67 21.437 6.859 -1.408 505 HG3 GLN 67 HG3 GLN 67 21.034 8.510 -0.894 506 HE21 GLN 67 HE21 GLN 67 22.540 9.488 0.780 507 HE22 GLN 67 HE22 GLN 67 24.251 9.090 0.705 508 H TYR 68 HN TYR 68 17.096 7.364 1.496 509 HA TYR 68 HA TYR 68 17.284 5.439 3.757 510 HB2 TYR 68 HB2 TYR 68 16.386 7.471 5.109 511 HB3 TYR 68 HB3 TYR 68 18.080 7.261 4.841 512 HD1 TYR 68 HD1 TYR 68 19.252 8.683 3.070 513 HD2 TYR 68 HD2 TYR 68 15.156 9.358 4.229 514 HE1 TYR 68 HE1 TYR 68 19.314 10.871 1.950 515 HE2 TYR 68 HE2 TYR 68 15.225 11.592 3.222 516 HH TYR 68 HH TYR 68 17.961 12.666 1.192 517 H ALA 69 HN ALA 69 15.441 6.171 1.174 518 HA ALA 69 HA ALA 69 12.947 5.291 2.187 519 HB1 ALA 69 HB1 ALA 69 13.125 8.225 1.351 520 HB2 ALA 69 HB2 ALA 69 11.647 7.353 1.750 521 HB3 ALA 69 HB3 ALA 69 12.861 7.693 3.011 522 H LEU 70 HN LEU 70 12.044 4.236 0.480 523 HA LEU 70 HA LEU 70 12.939 4.847 -2.267 524 HB2 LEU 70 HB2 LEU 70 12.610 2.520 -1.121 525 HB3 LEU 70 HB3 LEU 70 10.927 2.720 -1.523 526 HG LEU 70 HG LEU 70 13.196 2.884 -3.569 527 HD11 LEU 70 HD11 LEU 70 11.480 0.471 -2.839 528 HD12 LEU 70 HD12 LEU 70 13.238 0.616 -2.692 529 HD13 LEU 70 HD13 LEU 70 12.503 0.597 -4.278 530 HD21 LEU 70 HD21 LEU 70 11.354 2.411 -5.168 531 HD22 LEU 70 HD22 LEU 70 11.070 3.899 -4.291 532 HD23 LEU 70 HD23 LEU 70 10.198 2.460 -3.795 533 H LYS 71 HN LYS 71 11.470 5.806 -3.821 534 HA LYS 71 HA LYS 71 9.151 7.298 -2.863 535 HB2 LYS 71 HB2 LYS 71 9.254 8.327 -4.889 536 HB3 LYS 71 HB3 LYS 71 10.921 7.891 -4.694 537 HG2 LYS 71 HG2 LYS 71 10.347 5.890 -6.234 538 HG3 LYS 71 HG3 LYS 71 8.813 6.687 -6.522 539 HD2 LYS 71 HD2 LYS 71 10.474 7.185 -8.283 540 HD3 LYS 71 HD3 LYS 71 9.849 8.612 -7.468 541 HE2 LYS 71 HE2 LYS 71 11.914 8.826 -6.171 542 HE3 LYS 71 HE3 LYS 71 12.566 7.351 -6.892 543 HZ1 LYS 71 HZ1 LYS 71 12.758 8.436 -8.956 544 HZ2 LYS 71 HZ2 LYS 71 13.285 9.529 -7.893 545 HZ3 LYS 71 HZ3 LYS 71 11.784 9.693 -8.521 546 H LEU 72 HN LEU 72 7.019 7.077 -4.336 547 HA LEU 72 HA LEU 72 6.662 4.487 -5.622 548 HB2 LEU 72 HB2 LEU 72 5.148 5.261 -3.132 549 HB3 LEU 72 HB3 LEU 72 4.247 4.488 -4.411 550 HG LEU 72 HG LEU 72 6.807 3.174 -3.528 551 HD11 LEU 72 HD11 LEU 72 5.789 1.963 -1.788 552 HD12 LEU 72 HD12 LEU 72 4.222 2.809 -2.025 553 HD13 LEU 72 HD13 LEU 72 5.670 3.673 -1.451 554 HD21 LEU 72 HD21 LEU 72 5.628 1.121 -4.074 555 HD22 LEU 72 HD22 LEU 72 5.730 2.231 -5.442 556 HD23 LEU 72 HD23 LEU 72 4.194 2.072 -4.540 557 H SER 73 HN SER 73 4.809 4.614 -7.129 558 HA SER 73 HA SER 73 3.387 7.189 -7.334 559 HB2 SER 73 HB2 SER 73 4.831 5.829 -9.643 560 HB3 SER 73 HB3 SER 73 3.862 7.320 -9.737 561 HG SER 73 HG SER 73 5.462 8.404 -8.679 562 H PHE 74 HN PHE 74 1.207 6.646 -7.540 563 HA PHE 74 HA PHE 74 0.575 3.812 -8.266 564 HB2 PHE 74 HB2 PHE 74 -1.155 5.739 -6.675 565 HB3 PHE 74 HB3 PHE 74 -1.352 4.002 -6.873 566 HD1 PHE 74 HD1 PHE 74 0.251 2.413 -5.719 567 HD2 PHE 74 HD2 PHE 74 0.267 6.649 -4.972 568 HE1 PHE 74 HE1 PHE 74 1.486 2.033 -3.613 569 HE2 PHE 74 HE2 PHE 74 1.511 6.287 -2.861 570 HZ PHE 74 HZ PHE 74 2.112 3.963 -2.162 571 H ASP 75 HN ASP 75 -0.855 3.416 -9.814 572 HA ASP 75 HA ASP 75 -1.428 5.328 -11.872 573 HB2 ASP 75 HB2 ASP 75 -1.252 3.014 -12.432 574 HB3 ASP 75 HB3 ASP 75 -2.441 2.566 -11.218 575 H ASP 76 HN ASP 76 -3.285 4.385 -8.992 576 HA ASP 76 HA ASP 76 -5.747 5.643 -9.943 577 HB2 ASP 76 HB2 ASP 76 -6.727 4.964 -7.959 578 HB3 ASP 76 HB3 ASP 76 -5.635 3.651 -8.346 579 H GLY 77 HN GLY 77 -2.761 6.670 -8.641 580 HA2 GLY 77 HA2 GLY 77 -2.140 8.889 -8.836 581 HA3 GLY 77 HA1 GLY 77 -3.778 9.421 -8.481 582 H HIS 78 HN HIS 78 -2.206 10.804 -7.190 583 HA HIS 78 HA HIS 78 -1.356 11.601 -5.312 584 HB2 HIS 78 HB2 HIS 78 -3.555 11.171 -4.399 585 HB3 HIS 78 HB3 HIS 78 -3.082 9.554 -3.899 586 HD1 HIS 78 HD1 HIS 78 -3.859 10.435 -1.429 587 HD2 HIS 78 HD2 HIS 78 -0.478 12.288 -3.139 588 HE1 HIS 78 HE1 HIS 78 -2.546 11.499 0.497 589 H ASP 79 HN ASP 79 0.647 10.881 -6.221 590 HA ASP 79 HA ASP 79 1.953 8.479 -5.406 591 HB2 ASP 79 HB2 ASP 79 4.034 9.717 -6.051 592 HB3 ASP 79 HB3 ASP 79 2.814 9.603 -7.310 593 H SER 80 HN SER 80 2.258 11.900 -4.120 594 HA SER 80 HA SER 80 3.270 12.648 -2.289 595 HB2 SER 80 HB2 SER 80 2.622 11.686 -0.116 596 HB3 SER 80 HB3 SER 80 1.286 11.993 -1.208 597 HG SER 80 HG SER 80 1.969 9.555 -1.724 598 H GLY 81 HN GLY 81 4.522 10.903 -0.050 599 HA2 GLY 81 HA2 GLY 81 6.437 9.260 -1.273 600 HA3 GLY 81 HA1 GLY 81 7.126 10.895 -1.108 601 H LEU 82 HN LEU 82 8.627 9.900 0.312 602 HA LEU 82 HA LEU 82 9.558 9.420 2.302 603 HB2 LEU 82 HB2 LEU 82 7.151 10.983 3.297 604 HB3 LEU 82 HB3 LEU 82 8.545 10.567 4.296 605 HG LEU 82 HG LEU 82 8.672 12.229 1.741 606 HD11 LEU 82 HD11 LEU 82 7.313 13.322 3.497 607 HD12 LEU 82 HD12 LEU 82 8.829 14.179 3.194 608 HD13 LEU 82 HD13 LEU 82 8.656 13.152 4.639 609 HD21 LEU 82 HD21 LEU 82 10.710 11.767 3.961 610 HD22 LEU 82 HD22 LEU 82 10.908 12.867 2.578 611 HD23 LEU 82 HD23 LEU 82 10.832 11.140 2.303 612 H PHE 83 HN PHE 83 8.818 7.186 1.469 613 HA PHE 83 HA PHE 83 7.171 5.764 3.468 614 HB2 PHE 83 HB2 PHE 83 8.498 5.015 0.848 615 HB3 PHE 83 HB3 PHE 83 7.936 3.788 1.948 616 HD1 PHE 83 HD2 PHE 83 6.763 6.647 -0.142 617 HD2 PHE 83 HD1 PHE 83 5.684 3.160 2.161 618 HE1 PHE 83 HE2 PHE 83 4.448 6.761 -1.034 619 HE2 PHE 83 HE1 PHE 83 3.356 3.326 1.313 620 HZ PHE 83 HZ PHE 83 2.737 5.123 -0.248 621 H THR 84 HN THR 84 10.398 6.780 3.397 622 HA THR 84 HA THR 84 12.320 5.993 4.282 623 HB THR 84 HB THR 84 10.894 4.531 6.447 624 HG1 THR 84 HG1 THR 84 10.671 7.353 6.083 625 HG21 THR 84 HG21 THR 84 12.887 6.858 6.472 626 HG22 THR 84 HG22 THR 84 13.376 5.171 6.473 627 HG23 THR 84 HG23 THR 84 12.429 5.795 7.826 628 H TRP 85 HN TRP 85 13.184 3.653 5.551 629 HA TRP 85 HA TRP 85 12.636 1.498 3.569 630 HB2 TRP 85 HB2 TRP 85 14.995 2.053 5.457 631 HB3 TRP 85 HB3 TRP 85 14.804 0.579 4.563 632 HD1 TRP 85 HD1 TRP 85 16.844 3.348 4.246 633 HE1 TRP 85 HE1 TRP 85 17.635 3.729 1.840 634 HE3 TRP 85 HE3 TRP 85 13.346 0.509 1.838 635 HZ2 TRP 85 HZ2 TRP 85 16.928 2.660 -0.855 636 HZ3 TRP 85 HZ3 TRP 85 13.440 0.186 -0.568 637 HH2 TRP 85 HH2 TRP 85 15.288 1.220 -1.928 638 H ASP 86 HN ASP 86 12.813 2.011 7.090 639 HA ASP 86 HA ASP 86 12.380 -0.695 7.892 640 HB2 ASP 86 HB2 ASP 86 11.685 0.407 10.062 641 HB3 ASP 86 HB3 ASP 86 13.309 0.778 9.474 642 H TYR 87 HN TYR 87 10.047 2.019 7.946 643 HA TYR 87 HA TYR 87 7.627 0.853 8.181 644 HB2 TYR 87 HB2 TYR 87 8.030 3.201 7.973 645 HB3 TYR 87 HB3 TYR 87 8.524 3.031 6.300 646 HD1 TYR 87 HD1 TYR 87 5.623 2.077 8.500 647 HD2 TYR 87 HD2 TYR 87 6.883 3.537 4.639 648 HE1 TYR 87 HE1 TYR 87 3.295 2.573 7.892 649 HE2 TYR 87 HE2 TYR 87 4.576 4.070 4.035 650 HH TYR 87 HH TYR 87 2.288 3.776 4.701 651 H LEU 88 HN LEU 88 9.414 0.941 5.039 652 HA LEU 88 HA LEU 88 7.366 -0.328 3.547 653 HB2 LEU 88 HB2 LEU 88 10.342 -0.116 3.156 654 HB3 LEU 88 HB3 LEU 88 9.381 -1.118 2.069 655 HG LEU 88 HG LEU 88 8.870 1.831 2.589 656 HD11 LEU 88 HD11 LEU 88 10.253 0.487 0.223 657 HD12 LEU 88 HD12 LEU 88 11.050 1.423 1.495 658 HD13 LEU 88 HD13 LEU 88 9.908 2.226 0.426 659 HD21 LEU 88 HD21 LEU 88 6.823 0.764 1.797 660 HD22 LEU 88 HD22 LEU 88 7.706 -0.111 0.535 661 HD23 LEU 88 HD23 LEU 88 7.523 1.656 0.457 662 H TYR 89 HN TYR 89 10.230 -1.819 5.142 663 HA TYR 89 HA TYR 89 9.277 -4.509 4.476 664 HB2 TYR 89 HB2 TYR 89 11.583 -3.332 5.931 665 HB3 TYR 89 HB3 TYR 89 11.087 -4.915 6.446 666 HD1 TYR 89 HD2 TYR 89 10.299 -6.436 3.994 667 HD2 TYR 89 HD1 TYR 89 13.410 -3.506 4.535 668 HE1 TYR 89 HE2 TYR 89 11.503 -7.375 2.170 669 HE2 TYR 89 HE1 TYR 89 14.708 -4.535 2.741 670 HH TYR 89 HH TYR 89 13.591 -6.556 0.404 671 H GLU 90 HN GLU 90 8.686 -2.341 7.168 672 HA GLU 90 HA GLU 90 7.804 -4.220 9.097 673 HB2 GLU 90 HB2 GLU 90 8.185 -1.944 9.756 674 HB3 GLU 90 HB3 GLU 90 7.259 -1.299 8.422 675 HG2 GLU 90 HG2 GLU 90 5.170 -1.763 9.328 676 HG3 GLU 90 HG3 GLU 90 5.821 -2.952 10.471 677 H LEU 91 HN LEU 91 5.919 -2.283 6.740 678 HA LEU 91 HA LEU 91 3.441 -3.610 7.156 679 HB2 LEU 91 HB2 LEU 91 4.536 -2.185 4.704 680 HB3 LEU 91 HB3 LEU 91 2.844 -2.610 4.953 681 HG LEU 91 HG LEU 91 4.391 -0.667 6.722 682 HD11 LEU 91 HD11 LEU 91 2.435 -0.302 4.433 683 HD12 LEU 91 HD12 LEU 91 4.153 0.234 4.507 684 HD13 LEU 91 HD13 LEU 91 2.919 0.997 5.533 685 HD21 LEU 91 HD21 LEU 91 1.399 -1.191 6.552 686 HD22 LEU 91 HD22 LEU 91 2.212 0.003 7.567 687 HD23 LEU 91 HD23 LEU 91 2.466 -1.701 7.895 688 H ALA 92 HN ALA 92 6.200 -4.464 5.141 689 HA ALA 92 HA ALA 92 5.071 -6.304 3.349 690 HB1 ALA 92 HB1 ALA 92 7.205 -7.081 2.928 691 HB2 ALA 92 HB2 ALA 92 7.470 -5.426 3.442 692 HB3 ALA 92 HB3 ALA 92 7.792 -6.768 4.566 693 H THR 93 HN THR 93 6.169 -6.820 6.758 694 HA THR 93 HA THR 93 5.347 -9.647 6.620 695 HB THR 93 HB THR 93 7.489 -9.224 7.545 696 HG1 THR 93 HG1 THR 93 7.219 -10.692 8.908 697 HG21 THR 93 HG21 THR 93 7.836 -8.098 9.684 698 HG22 THR 93 HG22 THR 93 6.171 -7.468 9.608 699 HG23 THR 93 HG23 THR 93 7.370 -7.018 8.367 700 H ARG 94 HN ARG 94 4.270 -6.592 8.206 701 HA ARG 94 HA ARG 94 2.314 -7.909 9.886 702 HB2 ARG 94 HB2 ARG 94 2.686 -5.058 8.971 703 HB3 ARG 94 HB3 ARG 94 1.381 -5.555 10.055 704 HG2 ARG 94 HG2 ARG 94 3.954 -6.607 10.969 705 HG3 ARG 94 HG3 ARG 94 4.030 -4.883 10.731 706 HD2 ARG 94 HD2 ARG 94 3.409 -5.459 13.056 707 HD3 ARG 94 HD3 ARG 94 2.181 -4.496 12.258 708 HE ARG 94 HE ARG 94 0.718 -6.049 12.852 709 HH11 ARG 94 HH11 ARG 94 3.752 -7.946 12.406 710 HH12 ARG 94 HH12 ARG 94 3.032 -9.382 13.003 711 HH21 ARG 94 HH21 ARG 94 -0.031 -7.950 13.919 712 HH22 ARG 94 HH22 ARG 94 0.685 -9.449 13.523 713 H LYS 95 HN LYS 95 2.293 -7.338 6.511 714 HA LYS 95 HA LYS 95 0.035 -6.289 5.841 715 HB2 LYS 95 HB2 LYS 95 1.452 -6.974 4.126 716 HB3 LYS 95 HB3 LYS 95 1.378 -8.685 4.560 717 HG2 LYS 95 HG2 LYS 95 -0.838 -8.935 3.696 718 HG3 LYS 95 HG3 LYS 95 -1.041 -7.192 3.452 719 HD2 LYS 95 HD2 LYS 95 0.103 -7.205 1.483 720 HD3 LYS 95 HD3 LYS 95 1.322 -8.336 2.096 721 HE2 LYS 95 HE2 LYS 95 0.186 -9.334 0.254 722 HE3 LYS 95 HE3 LYS 95 -0.122 -10.234 1.736 723 HZ1 LYS 95 HZ1 LYS 95 -2.086 -8.290 0.677 724 HZ2 LYS 95 HZ2 LYS 95 -2.290 -9.480 1.818 725 HZ3 LYS 95 HZ3 LYS 95 -2.048 -9.890 0.280 726 H ASP 96 HN ASP 96 0.091 -9.777 6.536 727 HA ASP 96 HA ASP 96 -2.513 -10.541 6.037 728 HB2 ASP 96 HB2 ASP 96 -0.669 -12.020 6.769 729 HB3 ASP 96 HB3 ASP 96 -0.687 -11.292 8.367 730 H GLN 97 HN GLN 97 -1.401 -8.997 9.071 731 HA GLN 97 HA GLN 97 -3.975 -9.056 10.351 732 HB2 GLN 97 HB2 GLN 97 -1.620 -8.988 11.400 733 HB3 GLN 97 HB3 GLN 97 -1.492 -7.321 10.883 734 HG2 GLN 97 HG2 GLN 97 -2.097 -7.466 13.225 735 HG3 GLN 97 HG3 GLN 97 -3.396 -6.711 12.312 736 HE21 GLN 97 HE21 GLN 97 -5.377 -7.611 12.421 737 HE22 GLN 97 HE22 GLN 97 -5.814 -9.006 13.368 738 H LEU 98 HN LEU 98 -2.038 -6.632 8.753 739 HA LEU 98 HA LEU 98 -3.646 -4.321 9.164 740 HB2 LEU 98 HB2 LEU 98 -1.756 -4.957 6.853 741 HB3 LEU 98 HB3 LEU 98 -2.272 -3.347 7.334 742 HG LEU 98 HG LEU 98 -0.519 -5.264 8.907 743 HD11 LEU 98 HD11 LEU 98 1.145 -3.420 8.708 744 HD12 LEU 98 HD12 LEU 98 0.006 -2.563 7.664 745 HD13 LEU 98 HD13 LEU 98 0.690 -4.123 7.141 746 HD21 LEU 98 HD21 LEU 98 -0.279 -3.441 10.559 747 HD22 LEU 98 HD22 LEU 98 -1.903 -4.151 10.518 748 HD23 LEU 98 HD23 LEU 98 -1.598 -2.599 9.706 749 H TRP 99 HN TRP 99 -3.604 -6.666 6.506 750 HA TRP 99 HA TRP 99 -5.326 -5.236 4.769 751 HB2 TRP 99 HB2 TRP 99 -3.822 -7.125 4.125 752 HB3 TRP 99 HB3 TRP 99 -4.860 -8.244 5.010 753 HD1 TRP 99 HD1 TRP 99 -6.361 -9.516 3.393 754 HE1 TRP 99 HE1 TRP 99 -7.579 -9.035 1.169 755 HE3 TRP 99 HE3 TRP 99 -4.945 -4.632 2.701 756 HZ2 TRP 99 HZ2 TRP 99 -8.184 -6.758 -0.424 757 HZ3 TRP 99 HZ3 TRP 99 -5.903 -3.310 0.844 758 HH2 TRP 99 HH2 TRP 99 -7.514 -4.337 -0.717 759 H ALA 100 HN ALA 100 -6.001 -7.837 7.168 760 HA ALA 100 HA ALA 100 -8.791 -7.887 6.826 761 HB1 ALA 100 HB1 ALA 100 -7.504 -9.525 8.198 762 HB2 ALA 100 HB2 ALA 100 -7.170 -8.264 9.399 763 HB3 ALA 100 HB3 ALA 100 -8.836 -8.811 9.133 764 H ASP 101 HN ASP 101 -6.829 -5.549 8.697 765 HA ASP 101 HA ASP 101 -9.074 -4.290 9.989 766 HB2 ASP 101 HB2 ASP 101 -6.210 -3.901 9.911 767 HB3 ASP 101 HB3 ASP 101 -6.964 -2.355 9.520 768 H TYR 102 HN TYR 102 -7.282 -3.485 6.959 769 HA TYR 102 HA TYR 102 -8.921 -1.315 6.277 770 HB2 TYR 102 HB2 TYR 102 -7.137 -3.220 4.756 771 HB3 TYR 102 HB3 TYR 102 -8.116 -2.074 3.894 772 HD1 TYR 102 HD1 TYR 102 -8.064 0.440 5.262 773 HD2 TYR 102 HD2 TYR 102 -4.931 -2.526 5.079 774 HE1 TYR 102 HE1 TYR 102 -6.400 2.165 5.830 775 HE2 TYR 102 HE2 TYR 102 -3.285 -0.816 5.623 776 HH TYR 102 HH TYR 102 -4.188 2.575 6.462 777 H LEU 103 HN LEU 103 -9.484 -4.753 5.709 778 HA LEU 103 HA LEU 103 -11.800 -4.394 3.978 779 HB2 LEU 103 HB2 LEU 103 -11.025 -6.630 5.916 780 HB3 LEU 103 HB3 LEU 103 -12.605 -6.565 5.183 781 HG LEU 103 HG LEU 103 -11.394 -8.086 3.923 782 HD11 LEU 103 HD11 LEU 103 -11.226 -5.572 2.239 783 HD12 LEU 103 HD12 LEU 103 -12.743 -6.434 2.609 784 HD13 LEU 103 HD13 LEU 103 -11.444 -7.244 1.703 785 HD21 LEU 103 HD21 LEU 103 -9.113 -7.526 4.554 786 HD22 LEU 103 HD22 LEU 103 -9.150 -6.087 3.504 787 HD23 LEU 103 HD23 LEU 103 -9.295 -7.722 2.819 788 H ALA 104 HN ALA 104 -11.490 -4.455 7.558 789 HA ALA 104 HA ALA 104 -14.333 -4.317 7.986 790 HB1 ALA 104 HB1 ALA 104 -12.801 -5.117 9.727 791 HB2 ALA 104 HB2 ALA 104 -12.020 -3.520 9.800 792 HB3 ALA 104 HB3 ALA 104 -13.720 -3.706 10.283 793 H GLU 105 HN GLU 105 -11.728 -1.863 7.882 794 HA GLU 105 HA GLU 105 -13.128 0.494 8.287 795 HB2 GLU 105 HB2 GLU 105 -10.764 -0.304 6.627 796 HB3 GLU 105 HB3 GLU 105 -11.410 1.298 6.368 797 HG2 GLU 105 HG2 GLU 105 -10.979 0.518 9.238 798 HG3 GLU 105 HG3 GLU 105 -9.551 0.689 8.219 799 H LEU 106 HN LEU 106 -12.606 -1.085 5.091 800 HA LEU 106 HA LEU 106 -14.329 0.755 3.722 801 HB2 LEU 106 HB2 LEU 106 -12.734 -1.633 3.051 802 HB3 LEU 106 HB3 LEU 106 -14.301 -1.801 2.353 803 HG LEU 106 HG LEU 106 -13.025 -0.685 0.645 804 HD11 LEU 106 HD11 LEU 106 -14.110 1.251 0.220 805 HD12 LEU 106 HD12 LEU 106 -14.124 1.782 1.910 806 HD13 LEU 106 HD13 LEU 106 -15.222 0.495 1.366 807 HD21 LEU 106 HD21 LEU 106 -11.067 -0.243 1.915 808 HD22 LEU 106 HD22 LEU 106 -11.866 1.004 2.868 809 HD23 LEU 106 HD23 LEU 106 -11.585 1.251 1.121 810 H ALA 107 HN ALA 107 -15.019 -2.264 5.355 811 HA ALA 107 HA ALA 107 -17.753 -2.428 4.385 812 HB1 ALA 107 HB1 ALA 107 -16.428 -3.763 6.770 813 HB2 ALA 107 HB2 ALA 107 -17.961 -4.230 6.002 814 HB3 ALA 107 HB3 ALA 107 -16.428 -4.410 5.117 815 H SER 108 HN SER 108 -16.249 -0.403 6.717 816 HA SER 108 HA SER 108 -18.807 0.091 8.152 817 HB2 SER 108 HB2 SER 108 -16.698 -0.412 9.418 818 HB3 SER 108 HB3 SER 108 -15.983 1.071 8.760 819 HG SER 108 HG SER 108 -17.460 2.281 9.865 820 H ALA 109 HN ALA 109 -16.387 1.600 6.005 821 HA ALA 109 HA ALA 109 -17.196 4.290 6.373 822 HB1 ALA 109 HB1 ALA 109 -15.890 2.962 3.953 823 HB2 ALA 109 HB2 ALA 109 -15.896 4.705 4.319 824 HB3 ALA 109 HB3 ALA 109 -15.050 3.572 5.403 825 H GLY 110 HN GLY 110 -18.841 1.751 4.624 826 HA2 GLY 110 HA2 GLY 110 -20.399 1.698 2.992 827 HA3 GLY 110 HA1 GLY 110 -20.877 3.338 3.452 828 H LYS 111 HN LYS 111 -17.738 2.017 2.187 829 HA LYS 111 HA LYS 111 -18.243 3.359 -0.409 830 HB2 LYS 111 HB2 LYS 111 -15.567 3.166 1.000 831 HB3 LYS 111 HB3 LYS 111 -15.824 3.798 -0.613 832 HG2 LYS 111 HG2 LYS 111 -17.025 5.076 1.883 833 HG3 LYS 111 HG3 LYS 111 -15.484 5.540 1.178 834 HD2 LYS 111 HD2 LYS 111 -16.585 6.099 -0.977 835 HD3 LYS 111 HD3 LYS 111 -18.127 5.507 -0.330 836 HE2 LYS 111 HE2 LYS 111 -17.812 7.186 1.565 837 HE3 LYS 111 HE3 LYS 111 -16.548 7.929 0.594 838 HZ1 LYS 111 HZ1 LYS 111 -19.243 7.433 -0.542 839 HZ2 LYS 111 HZ2 LYS 111 -18.114 8.550 -1.004 840 HZ3 LYS 111 HZ3 LYS 111 -18.938 8.754 0.398 841 H SER 112 HN SER 112 -16.284 2.140 -1.900 842 HA SER 112 HA SER 112 -15.743 -0.451 -0.699 843 HB2 SER 112 HB2 SER 112 -17.467 -0.037 -3.103 844 HB3 SER 112 HB3 SER 112 -16.522 -1.549 -2.985 845 HG SER 112 HG SER 112 -18.060 -0.635 -0.807 846 H ARG 113 HN ARG 113 -14.365 -1.774 -1.742 847 HA ARG 113 HA ARG 113 -11.982 -0.514 -2.704 848 HB2 ARG 113 HB2 ARG 113 -13.016 -3.376 -3.034 849 HB3 ARG 113 HB3 ARG 113 -11.370 -2.835 -3.366 850 HG2 ARG 113 HG2 ARG 113 -11.219 -2.087 -0.916 851 HG3 ARG 113 HG3 ARG 113 -12.818 -2.807 -0.648 852 HD2 ARG 113 HD2 ARG 113 -11.061 -4.349 0.059 853 HD3 ARG 113 HD3 ARG 113 -11.974 -5.008 -1.307 854 HE ARG 113 HE ARG 113 -9.457 -3.486 -1.715 855 HH11 ARG 113 HH11 ARG 113 -11.158 -6.656 -2.195 856 HH12 ARG 113 HH12 ARG 113 -9.844 -7.234 -3.192 857 HH21 ARG 113 HH21 ARG 113 -7.959 -4.307 -3.232 858 HH22 ARG 113 HH22 ARG 113 -8.132 -5.954 -3.784 859 H ASP 114 HN ASP 114 -14.851 -1.855 -4.320 860 HA ASP 114 HA ASP 114 -13.980 -1.787 -7.034 861 HB2 ASP 114 HB2 ASP 114 -16.676 -1.340 -5.702 862 HB3 ASP 114 HB3 ASP 114 -16.470 -1.454 -7.442 863 HA PRO 115 HA PRO 115 -13.631 2.568 -7.477 864 HB2 PRO 115 HB2 PRO 115 -13.825 2.941 -10.188 865 HB3 PRO 115 HB3 PRO 115 -12.410 2.143 -9.423 866 HG2 PRO 115 HG2 PRO 115 -14.840 0.827 -10.689 867 HG3 PRO 115 HG3 PRO 115 -13.119 0.436 -10.952 868 HD2 PRO 115 HD2 PRO 115 -14.670 -0.972 -9.208 869 HD3 PRO 115 HD3 PRO 115 -12.945 -0.643 -8.855 870 H ASP 116 HN ASP 116 -16.366 1.037 -9.145 871 HA ASP 116 HA ASP 116 -18.035 3.372 -8.376 872 HB2 ASP 116 HB2 ASP 116 -17.277 3.380 -10.801 873 HB3 ASP 116 HB3 ASP 116 -18.352 2.006 -11.047 874 H GLU 117 HN GLU 117 -18.265 1.808 -6.517 875 HA GLU 117 HA GLU 117 -19.999 -0.435 -6.921 876 HB2 GLU 117 HB2 GLU 117 -18.400 -0.300 -5.058 877 HB3 GLU 117 HB3 GLU 117 -19.056 1.260 -4.562 878 HG2 GLU 117 HG2 GLU 117 -19.948 -0.312 -3.059 879 HG3 GLU 117 HG3 GLU 117 -21.223 0.163 -4.165 880 H SER 118 HN SER 118 -22.147 -0.268 -7.107 881 HA SER 118 HA SER 118 -23.755 1.320 -5.480 882 HB2 SER 118 HB2 SER 118 -23.430 2.347 -8.297 883 HB3 SER 118 HB3 SER 118 -25.021 2.427 -7.506 884 HG SER 118 HG SER 118 -22.616 3.371 -6.355 885 H VAL 119 HN VAL 119 -24.175 -0.979 -5.143 886 HA VAL 119 HA VAL 119 -26.368 -1.830 -6.851 887 HB VAL 119 HB VAL 119 -24.580 -3.033 -7.849 888 HG11 VAL 119 HG11 VAL 119 -23.097 -4.591 -6.670 889 HG12 VAL 119 HG12 VAL 119 -22.836 -2.929 -6.146 890 HG13 VAL 119 HG13 VAL 119 -23.743 -4.046 -5.105 891 HG21 VAL 119 HG21 VAL 119 -25.947 -5.002 -5.990 892 HG22 VAL 119 HG22 VAL 119 -26.735 -4.222 -7.378 893 HG23 VAL 119 HG23 VAL 119 -25.343 -5.268 -7.644 894 H VAL 120 HN VAL 120 -28.001 -2.674 -5.606 895 HA VAL 120 HA VAL 120 -27.886 -1.790 -2.883 896 HB VAL 120 HB VAL 120 -30.321 -2.270 -2.956 897 HG11 VAL 120 HG11 VAL 120 -29.362 -0.108 -3.690 898 HG12 VAL 120 HG12 VAL 120 -29.302 -0.697 -5.360 899 HG13 VAL 120 HG13 VAL 120 -30.862 -0.505 -4.533 900 HG21 VAL 120 HG21 VAL 120 -30.317 -4.203 -4.566 901 HG22 VAL 120 HG22 VAL 120 -31.444 -2.910 -5.006 902 HG23 VAL 120 HG23 VAL 120 -29.910 -3.078 -5.870 903 H LYS 121 HN LYS 121 -26.112 -3.774 -2.888 904 HA LYS 121 HA LYS 121 -27.190 -6.339 -2.024 905 HB2 LYS 121 HB2 LYS 121 -24.838 -6.815 -1.406 906 HB3 LYS 121 HB3 LYS 121 -25.008 -6.280 -3.074 907 HG2 LYS 121 HG2 LYS 121 -24.024 -4.160 -2.616 908 HG3 LYS 121 HG3 LYS 121 -24.299 -4.298 -0.880 909 HD2 LYS 121 HD2 LYS 121 -21.940 -4.576 -1.447 910 HD3 LYS 121 HD3 LYS 121 -22.608 -6.018 -0.666 911 HE2 LYS 121 HE2 LYS 121 -22.848 -7.131 -2.847 912 HE3 LYS 121 HE3 LYS 121 -22.279 -5.673 -3.677 913 HZ1 LYS 121 HZ1 LYS 121 -20.145 -5.970 -2.702 914 HZ2 LYS 121 HZ2 LYS 121 -20.590 -7.412 -3.348 915 HZ3 LYS 121 HZ3 LYS 121 -20.665 -7.200 -1.730 916 H LEU 122 HN LEU 122 -26.513 -7.226 0.102 917 HA LEU 122 HA LEU 122 -27.253 -5.562 2.396 918 HB2 LEU 122 HB2 LEU 122 -26.136 -8.367 2.035 919 HB3 LEU 122 HB3 LEU 122 -26.196 -7.622 3.619 920 HG LEU 122 HG LEU 122 -28.037 -9.140 3.290 921 HD11 LEU 122 HD11 LEU 122 -29.832 -7.767 4.109 922 HD12 LEU 122 HD12 LEU 122 -29.116 -6.301 3.423 923 HD13 LEU 122 HD13 LEU 122 -28.311 -7.146 4.764 924 HD21 LEU 122 HD21 LEU 122 -29.130 -7.308 1.124 925 HD22 LEU 122 HD22 LEU 122 -29.869 -8.784 1.770 926 HD23 LEU 122 HD23 LEU 122 -28.366 -8.891 0.843 927 H MET 123 HN MET 123 -25.826 -4.846 3.988 928 HA MET 123 HA MET 123 -22.935 -4.609 3.270 929 HB2 MET 123 HB2 MET 123 -24.199 -2.603 2.613 930 HB3 MET 123 HB3 MET 123 -24.855 -2.433 4.223 931 HG2 MET 123 HG2 MET 123 -21.860 -2.455 3.723 932 HG3 MET 123 HG3 MET 123 -22.804 -0.990 3.508 933 HE1 MET 123 HE1 MET 123 -23.920 0.028 7.064 934 HE2 MET 123 HE2 MET 123 -23.777 0.497 5.353 935 HE3 MET 123 HE3 MET 123 -24.893 -0.802 5.831 936 H LEU 124 HN LEU 124 -25.415 -4.220 5.805 937 HA LEU 124 HA LEU 124 -23.445 -4.790 7.953 938 HB2 LEU 124 HB2 LEU 124 -25.235 -4.237 9.495 939 HB3 LEU 124 HB3 LEU 124 -24.887 -2.886 8.436 940 HG LEU 124 HG LEU 124 -27.035 -4.588 7.311 941 HD11 LEU 124 HD11 LEU 124 -28.766 -4.086 8.968 942 HD12 LEU 124 HD12 LEU 124 -27.535 -3.388 10.055 943 HD13 LEU 124 HD13 LEU 124 -27.501 -5.119 9.647 944 HD21 LEU 124 HD21 LEU 124 -28.211 -2.442 7.193 945 HD22 LEU 124 HD22 LEU 124 -26.538 -2.253 6.630 946 HD23 LEU 124 HD23 LEU 124 -27.000 -1.687 8.250 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 20.614 -3.294 12.267 2 HA2 GLY 1 HA2 GLY 1 20.987 -0.922 11.911 3 HA3 GLY 1 HA1 GLY 1 21.245 -1.796 10.377 4 H MET 2 HN MET 2 20.115 -0.980 8.621 5 HA MET 2 HA MET 2 17.440 0.200 9.158 6 HB2 MET 2 HB2 MET 2 19.476 0.828 6.990 7 HB3 MET 2 HB3 MET 2 17.751 1.127 6.784 8 HG2 MET 2 HG2 MET 2 18.674 3.164 7.499 9 HG3 MET 2 HG3 MET 2 17.721 2.514 8.821 10 HE1 MET 2 HE1 MET 2 21.274 3.310 7.432 11 HE2 MET 2 HE2 MET 2 22.358 2.800 8.743 12 HE3 MET 2 HE3 MET 2 21.499 1.581 7.781 13 H ARG 3 HN ARG 3 15.827 -0.460 7.675 14 HA ARG 3 HA ARG 3 16.155 -3.263 6.817 15 HB2 ARG 3 HB2 ARG 3 13.799 -1.407 7.228 16 HB3 ARG 3 HB3 ARG 3 13.601 -2.947 6.410 17 HG2 ARG 3 HG2 ARG 3 14.959 -2.931 9.119 18 HG3 ARG 3 HG3 ARG 3 13.206 -2.779 8.956 19 HD2 ARG 3 HD2 ARG 3 13.546 -5.072 9.231 20 HD3 ARG 3 HD3 ARG 3 13.195 -4.792 7.502 21 HE ARG 3 HE ARG 3 15.823 -4.860 7.372 22 HH11 ARG 3 HH11 ARG 3 13.493 -7.049 8.839 23 HH12 ARG 3 HH12 ARG 3 14.146 -8.490 8.163 24 HH21 ARG 3 HH21 ARG 3 16.698 -6.699 6.367 25 HH22 ARG 3 HH22 ARG 3 15.859 -8.158 6.464 26 H ILE 4 HN ILE 4 17.678 -2.623 5.267 27 HA ILE 4 HA ILE 4 16.710 -1.099 2.914 28 HB ILE 4 HB ILE 4 19.505 -2.218 3.287 29 HG12 ILE 4 HG12 ILE 4 18.464 0.610 3.838 30 HG13 ILE 4 HG13 ILE 4 18.934 -0.561 5.077 31 HG21 ILE 4 HG21 ILE 4 18.748 -1.745 0.927 32 HG22 ILE 4 HG22 ILE 4 18.321 -0.098 1.406 33 HG23 ILE 4 HG23 ILE 4 20.014 -0.633 1.430 34 HD11 ILE 4 HD11 ILE 4 20.811 0.671 3.046 35 HD12 ILE 4 HD12 ILE 4 20.725 0.995 4.780 36 HD13 ILE 4 HD13 ILE 4 21.236 -0.608 4.207 37 HA PRO 5 HA PRO 5 15.738 -5.179 1.272 38 HB2 PRO 5 HB2 PRO 5 15.158 -4.427 -1.374 39 HB3 PRO 5 HB3 PRO 5 14.003 -4.416 -0.022 40 HG2 PRO 5 HG2 PRO 5 15.550 -2.125 -1.196 41 HG3 PRO 5 HG3 PRO 5 13.903 -2.140 -0.490 42 HD2 PRO 5 HD2 PRO 5 16.126 -1.176 0.794 43 HD3 PRO 5 HD3 PRO 5 14.721 -1.869 1.653 44 H SER 6 HN SER 6 16.667 -6.767 0.020 45 HA SER 6 HA SER 6 19.001 -6.071 -1.694 46 HB2 SER 6 HB2 SER 6 18.425 -8.507 0.031 47 HB3 SER 6 HB3 SER 6 19.442 -8.628 -1.395 48 HG SER 6 HG SER 6 19.904 -6.760 0.720 49 H ALA 7 HN ALA 7 15.669 -6.952 -1.608 50 HA ALA 7 HA ALA 7 15.750 -7.295 -4.527 51 HB1 ALA 7 HB1 ALA 7 13.853 -8.954 -4.263 52 HB2 ALA 7 HB2 ALA 7 15.454 -9.562 -3.814 53 HB3 ALA 7 HB3 ALA 7 14.291 -9.103 -2.546 54 H ILE 8 HN ILE 8 14.952 -5.312 -4.904 55 HA ILE 8 HA ILE 8 12.049 -4.893 -4.283 56 HB ILE 8 HB ILE 8 13.762 -3.538 -6.417 57 HG12 ILE 8 HG12 ILE 8 14.913 -2.844 -4.491 58 HG13 ILE 8 HG13 ILE 8 13.968 -1.511 -5.112 59 HG21 ILE 8 HG21 ILE 8 11.348 -3.470 -6.786 60 HG22 ILE 8 HG22 ILE 8 11.101 -2.733 -5.192 61 HG23 ILE 8 HG23 ILE 8 11.981 -1.866 -6.466 62 HD11 ILE 8 HD11 ILE 8 13.814 -1.504 -2.723 63 HD12 ILE 8 HD12 ILE 8 12.234 -2.004 -3.339 64 HD13 ILE 8 HD13 ILE 8 13.335 -3.219 -2.682 65 H GLN 9 HN GLN 9 10.760 -6.243 -5.382 66 HA GLN 9 HA GLN 9 11.400 -6.614 -8.242 67 HB2 GLN 9 HB2 GLN 9 11.109 -8.776 -6.267 68 HB3 GLN 9 HB3 GLN 9 9.827 -8.852 -7.470 69 HG2 GLN 9 HG2 GLN 9 11.517 -8.566 -9.266 70 HG3 GLN 9 HG3 GLN 9 12.779 -8.809 -8.051 71 HE21 GLN 9 HE21 GLN 9 11.285 -10.888 -6.442 72 HE22 GLN 9 HE22 GLN 9 11.066 -12.267 -7.493 73 H LEU 10 HN LEU 10 10.126 -4.719 -8.523 74 HA LEU 10 HA LEU 10 7.705 -4.393 -6.989 75 HB2 LEU 10 HB2 LEU 10 7.353 -2.390 -8.102 76 HB3 LEU 10 HB3 LEU 10 9.108 -2.535 -8.083 77 HG LEU 10 HG LEU 10 7.347 -3.212 -10.514 78 HD11 LEU 10 HD11 LEU 10 7.192 -0.836 -9.867 79 HD12 LEU 10 HD12 LEU 10 7.859 -1.130 -11.465 80 HD13 LEU 10 HD13 LEU 10 8.967 -0.714 -10.161 81 HD21 LEU 10 HD21 LEU 10 9.555 -4.317 -10.601 82 HD22 LEU 10 HD22 LEU 10 10.358 -2.764 -10.254 83 HD23 LEU 10 HD23 LEU 10 9.455 -3.001 -11.765 84 H HIS 11 HN HIS 11 8.339 -6.364 -9.613 85 HA HIS 11 HA HIS 11 7.633 -6.874 -11.613 86 HB2 HIS 11 HB2 HIS 11 5.269 -7.656 -9.909 87 HB3 HIS 11 HB3 HIS 11 5.477 -8.113 -11.593 88 HD1 HIS 11 HD1 HIS 11 7.776 -9.506 -12.160 89 HD2 HIS 11 HD2 HIS 11 6.817 -8.918 -8.100 90 HE1 HIS 11 HE1 HIS 11 9.359 -10.953 -10.830 91 H LYS 12 HN LYS 12 7.760 -4.987 -12.828 92 HA LYS 12 HA LYS 12 5.445 -3.315 -13.305 93 HB2 LYS 12 HB2 LYS 12 7.885 -4.076 -14.915 94 HB3 LYS 12 HB3 LYS 12 6.534 -3.297 -15.709 95 HG2 LYS 12 HG2 LYS 12 7.997 -2.064 -13.360 96 HG3 LYS 12 HG3 LYS 12 8.396 -1.784 -15.033 97 HD2 LYS 12 HD2 LYS 12 5.773 -1.169 -15.181 98 HD3 LYS 12 HD3 LYS 12 6.044 -0.730 -13.497 99 HE2 LYS 12 HE2 LYS 12 7.773 0.229 -15.842 100 HE3 LYS 12 HE3 LYS 12 6.333 1.091 -15.298 101 HZ1 LYS 12 HZ1 LYS 12 8.387 1.982 -14.402 102 HZ2 LYS 12 HZ2 LYS 12 8.659 0.619 -13.530 103 HZ3 LYS 12 HZ3 LYS 12 7.321 1.577 -13.257 104 H ALA 13 HN ALA 13 6.212 -6.671 -14.203 105 HA ALA 13 HA ALA 13 4.366 -6.985 -16.291 106 HB1 ALA 13 HB1 ALA 13 4.430 -9.403 -15.687 107 HB2 ALA 13 HB2 ALA 13 6.036 -8.672 -15.857 108 HB3 ALA 13 HB3 ALA 13 5.365 -8.997 -14.237 109 H SER 14 HN SER 14 3.657 -8.611 -13.147 110 HA SER 14 HA SER 14 0.828 -8.072 -13.649 111 HB2 SER 14 HB2 SER 14 2.020 -10.324 -13.004 112 HB3 SER 14 HB3 SER 14 1.844 -9.728 -11.349 113 HG SER 14 HG SER 14 -0.488 -9.333 -12.465 114 H LYS 15 HN LYS 15 2.918 -6.048 -12.361 115 HA LYS 15 HA LYS 15 2.864 -4.347 -10.890 116 HB2 LYS 15 HB2 LYS 15 -0.143 -4.531 -10.975 117 HB3 LYS 15 HB3 LYS 15 0.871 -3.118 -10.726 118 HG2 LYS 15 HG2 LYS 15 1.030 -2.793 -12.982 119 HG3 LYS 15 HG3 LYS 15 1.480 -4.406 -13.340 120 HD2 LYS 15 HD2 LYS 15 -0.720 -5.196 -13.607 121 HD3 LYS 15 HD3 LYS 15 -1.405 -3.891 -12.608 122 HE2 LYS 15 HE2 LYS 15 -1.964 -3.442 -14.895 123 HE3 LYS 15 HE3 LYS 15 -0.889 -2.246 -14.168 124 HZ1 LYS 15 HZ1 LYS 15 -0.143 -2.667 -16.366 125 HZ2 LYS 15 HZ2 LYS 15 -0.169 -4.281 -16.203 126 HZ3 LYS 15 HZ3 LYS 15 0.953 -3.364 -15.386 127 H THR 16 HN THR 16 3.541 -6.591 -9.680 128 HA THR 16 HA THR 16 1.997 -6.745 -7.142 129 HB THR 16 HB THR 16 3.478 -8.925 -8.685 130 HG1 THR 16 HG1 THR 16 1.168 -8.126 -9.328 131 HG21 THR 16 HG21 THR 16 1.799 -9.088 -6.125 132 HG22 THR 16 HG22 THR 16 3.570 -9.287 -6.248 133 HG23 THR 16 HG23 THR 16 2.493 -10.473 -6.995 134 H LEU 17 HN LEU 17 3.280 -5.685 -5.675 135 HA LEU 17 HA LEU 17 6.131 -5.412 -6.329 136 HB2 LEU 17 HB2 LEU 17 4.684 -3.491 -5.603 137 HB3 LEU 17 HB3 LEU 17 4.601 -4.237 -3.999 138 HG LEU 17 HG LEU 17 7.386 -3.741 -5.107 139 HD11 LEU 17 HD11 LEU 17 5.998 -1.600 -5.523 140 HD12 LEU 17 HD12 LEU 17 7.347 -1.434 -4.396 141 HD13 LEU 17 HD13 LEU 17 5.668 -1.591 -3.773 142 HD21 LEU 17 HD21 LEU 17 7.343 -4.896 -3.389 143 HD22 LEU 17 HD22 LEU 17 6.285 -3.820 -2.402 144 HD23 LEU 17 HD23 LEU 17 7.945 -3.316 -2.936 145 H THR 18 HN THR 18 7.677 -6.771 -5.510 146 HA THR 18 HA THR 18 6.900 -8.480 -3.285 147 HB THR 18 HB THR 18 8.670 -9.144 -5.647 148 HG1 THR 18 HG1 THR 18 5.996 -9.637 -5.036 149 HG21 THR 18 HG21 THR 18 7.679 -11.041 -3.484 150 HG22 THR 18 HG22 THR 18 9.330 -10.404 -3.581 151 HG23 THR 18 HG23 THR 18 8.704 -11.440 -4.863 152 H LEU 19 HN LEU 19 8.360 -8.734 -1.692 153 HA LEU 19 HA LEU 19 10.914 -7.253 -1.664 154 HB2 LEU 19 HB2 LEU 19 8.491 -6.882 0.164 155 HB3 LEU 19 HB3 LEU 19 10.104 -6.353 0.615 156 HG LEU 19 HG LEU 19 8.573 -5.277 -1.824 157 HD11 LEU 19 HD11 LEU 19 9.012 -4.147 1.004 158 HD12 LEU 19 HD12 LEU 19 7.481 -4.744 0.371 159 HD13 LEU 19 HD13 LEU 19 8.213 -3.296 -0.338 160 HD21 LEU 19 HD21 LEU 19 11.001 -5.097 -2.084 161 HD22 LEU 19 HD22 LEU 19 11.117 -4.241 -0.529 162 HD23 LEU 19 HD23 LEU 19 10.215 -3.546 -1.908 163 H ARG 20 HN ARG 20 12.332 -8.295 -0.227 164 HA ARG 20 HA ARG 20 11.227 -10.789 1.030 165 HB2 ARG 20 HB2 ARG 20 12.828 -11.204 -0.781 166 HB3 ARG 20 HB3 ARG 20 14.077 -10.340 0.122 167 HG2 ARG 20 HG2 ARG 20 13.601 -11.996 2.064 168 HG3 ARG 20 HG3 ARG 20 12.535 -12.840 0.950 169 HD2 ARG 20 HD2 ARG 20 14.611 -14.010 0.983 170 HD3 ARG 20 HD3 ARG 20 14.465 -13.211 -0.573 171 HE ARG 20 HE ARG 20 15.975 -11.829 1.533 172 HH11 ARG 20 HH11 ARG 20 16.215 -14.211 -1.105 173 HH12 ARG 20 HH12 ARG 20 17.952 -14.049 -1.228 174 HH21 ARG 20 HH21 ARG 20 18.291 -11.517 1.152 175 HH22 ARG 20 HH22 ARG 20 19.073 -12.617 0.043 176 H TYR 21 HN TYR 21 10.669 -10.223 3.070 177 HA TYR 21 HA TYR 21 12.274 -8.559 4.843 178 HB2 TYR 21 HB2 TYR 21 9.747 -8.731 4.922 179 HB3 TYR 21 HB3 TYR 21 9.938 -10.403 5.423 180 HD1 TYR 21 HD1 TYR 21 10.365 -6.881 6.399 181 HD2 TYR 21 HD2 TYR 21 10.577 -10.960 7.736 182 HE1 TYR 21 HE1 TYR 21 10.731 -6.071 8.710 183 HE2 TYR 21 HE2 TYR 21 10.836 -10.167 10.085 184 HH TYR 21 HH TYR 21 10.330 -7.581 11.417 185 H GLY 22 HN GLY 22 14.315 -9.584 5.017 186 HA2 GLY 22 HA2 GLY 22 15.830 -11.081 5.877 187 HA3 GLY 22 HA1 GLY 22 14.489 -11.960 6.654 188 H GLU 23 HN GLU 23 13.742 -13.798 5.704 189 HA GLU 23 HA GLU 23 14.724 -14.594 3.006 190 HB2 GLU 23 HB2 GLU 23 14.314 -16.881 3.592 191 HB3 GLU 23 HB3 GLU 23 15.496 -16.069 4.634 192 HG2 GLU 23 HG2 GLU 23 14.233 -16.128 6.484 193 HG3 GLU 23 HG3 GLU 23 12.759 -15.895 5.540 194 H ASP 24 HN ASP 24 12.063 -13.747 4.838 195 HA ASP 24 HA ASP 24 9.990 -15.212 3.450 196 HB2 ASP 24 HB2 ASP 24 9.674 -12.820 5.265 197 HB3 ASP 24 HB3 ASP 24 8.405 -13.923 4.716 198 H SER 25 HN SER 25 9.335 -14.776 1.479 199 HA SER 25 HA SER 25 9.697 -12.056 0.321 200 HB2 SER 25 HB2 SER 25 10.744 -13.874 -0.905 201 HB3 SER 25 HB3 SER 25 9.130 -14.609 -1.117 202 HG SER 25 HG SER 25 9.088 -13.499 -2.838 203 H TYR 26 HN TYR 26 8.128 -11.009 0.057 204 HA TYR 26 HA TYR 26 5.298 -11.973 0.364 205 HB2 TYR 26 HB2 TYR 26 6.415 -9.343 1.414 206 HB3 TYR 26 HB3 TYR 26 4.712 -9.795 1.398 207 HD1 TYR 26 HD2 TYR 26 4.044 -12.023 2.554 208 HD2 TYR 26 HD1 TYR 26 7.767 -9.965 3.253 209 HE1 TYR 26 HE2 TYR 26 4.315 -13.276 4.663 210 HE2 TYR 26 HE1 TYR 26 7.975 -11.140 5.452 211 HH TYR 26 HH TYR 26 5.652 -13.620 6.542 212 H ASP 27 HN ASP 27 3.877 -11.054 -0.996 213 HA ASP 27 HA ASP 27 4.876 -9.465 -3.277 214 HB2 ASP 27 HB2 ASP 27 3.999 -11.081 -4.831 215 HB3 ASP 27 HB3 ASP 27 5.207 -11.825 -3.803 216 H LEU 28 HN LEU 28 3.785 -7.725 -2.545 217 HA LEU 28 HA LEU 28 0.991 -7.939 -1.718 218 HB2 LEU 28 HB2 LEU 28 2.874 -5.534 -1.960 219 HB3 LEU 28 HB3 LEU 28 1.335 -5.606 -1.099 220 HG LEU 28 HG LEU 28 2.707 -7.723 0.071 221 HD11 LEU 28 HD11 LEU 28 4.821 -5.583 -0.310 222 HD12 LEU 28 HD12 LEU 28 4.833 -7.189 -1.080 223 HD13 LEU 28 HD13 LEU 28 4.921 -7.081 0.663 224 HD21 LEU 28 HD21 LEU 28 1.439 -5.983 1.231 225 HD22 LEU 28 HD22 LEU 28 2.799 -4.841 1.021 226 HD23 LEU 28 HD23 LEU 28 2.976 -6.308 2.015 227 HA PRO 29 HA PRO 29 -0.354 -6.657 -5.792 228 HB2 PRO 29 HB2 PRO 29 -2.977 -5.946 -5.308 229 HB3 PRO 29 HB3 PRO 29 -2.397 -7.635 -5.354 230 HG2 PRO 29 HG2 PRO 29 -2.869 -5.894 -2.953 231 HG3 PRO 29 HG3 PRO 29 -3.334 -7.605 -3.184 232 HD2 PRO 29 HD2 PRO 29 -1.082 -6.908 -1.783 233 HD3 PRO 29 HD3 PRO 29 -1.123 -8.350 -2.835 234 H ALA 30 HN ALA 30 -0.939 -4.742 -6.993 235 HA ALA 30 HA ALA 30 0.139 -2.304 -6.117 236 HB1 ALA 30 HB1 ALA 30 -0.136 -2.761 -8.425 237 HB2 ALA 30 HB2 ALA 30 -1.905 -2.919 -8.276 238 HB3 ALA 30 HB3 ALA 30 -1.122 -1.346 -8.042 239 H GLU 31 HN GLU 31 -3.383 -3.353 -6.139 240 HA GLU 31 HA GLU 31 -4.327 -0.958 -5.112 241 HB2 GLU 31 HB2 GLU 31 -6.339 -1.908 -4.673 242 HB3 GLU 31 HB3 GLU 31 -5.780 -2.648 -6.142 243 HG2 GLU 31 HG2 GLU 31 -5.506 -4.783 -5.068 244 HG3 GLU 31 HG3 GLU 31 -5.562 -4.082 -3.459 245 H PHE 32 HN PHE 32 -3.082 -3.712 -3.194 246 HA PHE 32 HA PHE 32 -3.962 -2.803 -0.646 247 HB2 PHE 32 HB2 PHE 32 -3.135 -5.020 -0.869 248 HB3 PHE 32 HB3 PHE 32 -1.599 -4.470 -1.539 249 HD1 PHE 32 HD1 PHE 32 0.134 -3.426 -0.098 250 HD2 PHE 32 HD2 PHE 32 -3.429 -5.197 1.616 251 HE1 PHE 32 HE1 PHE 32 1.189 -3.501 2.135 252 HE2 PHE 32 HE2 PHE 32 -2.407 -5.229 3.731 253 HZ PHE 32 HZ PHE 32 -0.048 -4.375 4.056 254 H LEU 33 HN LEU 33 -1.027 -2.024 -2.521 255 HA LEU 33 HA LEU 33 0.133 -0.705 -0.260 256 HB2 LEU 33 HB2 LEU 33 0.853 -0.503 -3.183 257 HB3 LEU 33 HB3 LEU 33 1.916 0.000 -1.858 258 HG LEU 33 HG LEU 33 0.952 -2.876 -2.047 259 HD11 LEU 33 HD11 LEU 33 3.278 -1.829 -3.672 260 HD12 LEU 33 HD12 LEU 33 1.679 -2.248 -4.326 261 HD13 LEU 33 HD13 LEU 33 2.637 -3.500 -3.554 262 HD21 LEU 33 HD21 LEU 33 3.565 -1.610 -1.131 263 HD22 LEU 33 HD22 LEU 33 3.192 -3.342 -1.108 264 HD23 LEU 33 HD23 LEU 33 2.270 -2.243 -0.088 265 H ARG 34 HN ARG 34 -1.990 0.509 -2.833 266 HA ARG 34 HA ARG 34 -1.546 3.311 -2.190 267 HB2 ARG 34 HB2 ARG 34 -2.375 2.745 -4.388 268 HB3 ARG 34 HB3 ARG 34 -3.718 1.822 -3.715 269 HG2 ARG 34 HG2 ARG 34 -4.506 3.937 -4.629 270 HG3 ARG 34 HG3 ARG 34 -4.803 3.838 -2.903 271 HD2 ARG 34 HD2 ARG 34 -2.567 5.226 -2.660 272 HD3 ARG 34 HD3 ARG 34 -2.673 5.482 -4.401 273 HE ARG 34 HE ARG 34 -5.170 6.168 -3.229 274 HH11 ARG 34 HH11 ARG 34 -1.833 7.541 -3.334 275 HH12 ARG 34 HH12 ARG 34 -2.351 9.030 -2.655 276 HH21 ARG 34 HH21 ARG 34 -5.796 8.156 -2.575 277 HH22 ARG 34 HH22 ARG 34 -4.689 9.476 -2.364 278 H VAL 35 HN VAL 35 -3.462 0.784 -0.549 279 HA VAL 35 HA VAL 35 -5.222 2.895 0.578 280 HB VAL 35 HB VAL 35 -6.364 1.195 1.702 281 HG11 VAL 35 HG11 VAL 35 -7.540 1.021 -0.223 282 HG12 VAL 35 HG12 VAL 35 -6.184 1.731 -1.101 283 HG13 VAL 35 HG13 VAL 35 -6.305 -0.015 -0.993 284 HG21 VAL 35 HG21 VAL 35 -6.015 -1.110 1.525 285 HG22 VAL 35 HG22 VAL 35 -4.722 -0.925 0.344 286 HG23 VAL 35 HG23 VAL 35 -4.457 -0.448 2.041 287 H HIS 36 HN HIS 36 -2.177 1.386 1.429 288 HA HIS 36 HA HIS 36 -2.322 2.519 4.150 289 HB2 HIS 36 HB2 HIS 36 -0.774 0.931 4.782 290 HB3 HIS 36 HB3 HIS 36 -1.857 0.104 3.655 291 HD1 HIS 36 HD1 HIS 36 0.375 1.697 1.306 292 HD2 HIS 36 HD2 HIS 36 0.460 -1.538 4.010 293 HE1 HIS 36 HE1 HIS 36 2.279 0.244 0.590 294 H SER 37 HN SER 37 -1.595 4.117 1.523 295 HA SER 37 HA SER 37 1.136 4.915 1.899 296 HB2 SER 37 HB2 SER 37 0.469 6.411 -0.080 297 HB3 SER 37 HB3 SER 37 0.594 4.662 -0.305 298 HG SER 37 HG SER 37 -1.745 6.243 -0.180 299 HA PRO 38 HA PRO 38 -0.540 8.293 4.594 300 HB2 PRO 38 HB2 PRO 38 1.780 9.044 5.781 301 HB3 PRO 38 HB3 PRO 38 0.880 7.578 6.306 302 HG2 PRO 38 HG2 PRO 38 3.276 7.722 4.465 303 HG3 PRO 38 HG3 PRO 38 2.996 6.624 5.853 304 HD2 PRO 38 HD2 PRO 38 2.468 5.925 3.250 305 HD3 PRO 38 HD3 PRO 38 1.518 5.300 4.634 306 H SER 39 HN SER 39 -0.974 10.145 3.424 307 HA SER 39 HA SER 39 0.771 11.271 1.446 308 HB2 SER 39 HB2 SER 39 -1.431 12.651 3.006 309 HB3 SER 39 HB3 SER 39 -0.837 13.029 1.400 310 HG SER 39 HG SER 39 -2.900 11.724 1.910 311 H ALA 40 HN ALA 40 2.437 12.709 1.881 312 HA ALA 40 HA ALA 40 3.294 12.656 4.697 313 HB1 ALA 40 HB1 ALA 40 4.686 13.547 2.137 314 HB2 ALA 40 HB2 ALA 40 5.440 13.537 3.761 315 HB3 ALA 40 HB3 ALA 40 4.906 12.022 3.031 316 H GLU 41 HN GLU 41 1.748 14.973 2.656 317 HA GLU 41 HA GLU 41 2.924 17.274 3.968 318 HB2 GLU 41 HB2 GLU 41 0.528 17.105 2.105 319 HB3 GLU 41 HB3 GLU 41 1.446 18.566 2.495 320 HG2 GLU 41 HG2 GLU 41 3.453 17.568 1.389 321 HG3 GLU 41 HG3 GLU 41 2.429 16.210 0.857 322 H VAL 42 HN VAL 42 1.226 15.324 5.390 323 HA VAL 42 HA VAL 42 -1.167 16.928 6.132 324 HB VAL 42 HB VAL 42 -0.430 14.056 6.769 325 HG11 VAL 42 HG11 VAL 42 -2.969 15.674 7.277 326 HG12 VAL 42 HG12 VAL 42 -2.917 13.885 7.314 327 HG13 VAL 42 HG13 VAL 42 -1.991 14.820 8.473 328 HG21 VAL 42 HG21 VAL 42 -2.393 15.302 4.773 329 HG22 VAL 42 HG22 VAL 42 -0.866 14.504 4.348 330 HG23 VAL 42 HG23 VAL 42 -2.168 13.559 5.059 331 H GLN 43 HN GLN 43 1.952 16.644 7.257 332 HA GLN 43 HA GLN 43 3.031 17.421 9.055 333 HB2 GLN 43 HB2 GLN 43 0.438 18.611 10.088 334 HB3 GLN 43 HB3 GLN 43 2.072 19.148 10.408 335 HG2 GLN 43 HG2 GLN 43 2.343 20.001 8.149 336 HG3 GLN 43 HG3 GLN 43 0.806 19.291 7.629 337 HE21 GLN 43 HE21 GLN 43 -1.182 20.242 8.236 338 HE22 GLN 43 HE22 GLN 43 -1.262 21.800 9.017 339 H GLY 44 HN GLY 44 1.282 14.828 9.159 340 HA2 GLY 44 HA2 GLY 44 1.750 13.499 11.392 341 HA3 GLY 44 HA1 GLY 44 0.586 14.695 11.994 342 H HIS 45 HN HIS 45 -1.020 13.379 12.438 343 HA HIS 45 HA HIS 45 -1.812 11.204 10.690 344 HB2 HIS 45 HB2 HIS 45 -3.541 10.822 12.470 345 HB3 HIS 45 HB3 HIS 45 -1.869 10.774 12.986 346 HD1 HIS 45 HD1 HIS 45 -1.931 11.596 15.410 347 HD2 HIS 45 HD2 HIS 45 -4.162 13.963 12.742 348 HE1 HIS 45 HE1 HIS 45 -2.812 13.607 16.747 349 H GLY 46 HN GLY 46 -2.776 14.504 10.936 350 HA2 GLY 46 HA2 GLY 46 -4.532 15.742 10.241 351 HA3 GLY 46 HA1 GLY 46 -4.479 14.739 8.796 352 H ASN 47 HN ASN 47 -6.228 13.668 8.279 353 HA ASN 47 HA ASN 47 -8.102 12.732 10.316 354 HB2 ASN 47 HB2 ASN 47 -9.944 13.180 8.664 355 HB3 ASN 47 HB3 ASN 47 -9.221 14.581 9.458 356 HD21 ASN 47 HD21 ASN 47 -8.853 16.258 8.224 357 HD22 ASN 47 HD22 ASN 47 -9.055 16.203 6.455 358 HA PRO 48 HA PRO 48 -7.400 8.976 8.186 359 HB2 PRO 48 HB2 PRO 48 -9.606 7.483 8.760 360 HB3 PRO 48 HB3 PRO 48 -8.380 7.925 9.978 361 HG2 PRO 48 HG2 PRO 48 -11.023 9.282 9.436 362 HG3 PRO 48 HG3 PRO 48 -10.333 8.807 11.019 363 HD2 PRO 48 HD2 PRO 48 -10.127 11.348 10.046 364 HD3 PRO 48 HD3 PRO 48 -8.795 10.606 10.986 365 H VAL 49 HN VAL 49 -7.304 9.099 6.113 366 HA VAL 49 HA VAL 49 -9.445 9.945 4.346 367 HB VAL 49 HB VAL 49 -6.760 8.662 3.677 368 HG11 VAL 49 HG11 VAL 49 -8.558 10.552 2.108 369 HG12 VAL 49 HG12 VAL 49 -6.914 10.101 1.624 370 HG13 VAL 49 HG13 VAL 49 -8.167 8.867 1.700 371 HG21 VAL 49 HG21 VAL 49 -7.382 11.586 4.278 372 HG22 VAL 49 HG22 VAL 49 -6.239 10.546 5.141 373 HG23 VAL 49 HG23 VAL 49 -5.891 11.020 3.489 374 H LEU 50 HN LEU 50 -10.172 8.376 2.508 375 HA LEU 50 HA LEU 50 -10.094 5.543 3.252 376 HB2 LEU 50 HB2 LEU 50 -12.316 7.125 3.508 377 HB3 LEU 50 HB3 LEU 50 -12.429 6.721 1.802 378 HG LEU 50 HG LEU 50 -13.719 5.172 2.962 379 HD11 LEU 50 HD11 LEU 50 -12.293 4.167 1.237 380 HD12 LEU 50 HD12 LEU 50 -12.883 3.065 2.514 381 HD13 LEU 50 HD13 LEU 50 -11.194 3.615 2.557 382 HD21 LEU 50 HD21 LEU 50 -12.819 5.502 5.234 383 HD22 LEU 50 HD22 LEU 50 -11.346 4.602 4.778 384 HD23 LEU 50 HD23 LEU 50 -12.912 3.780 4.853 385 H GLN 51 HN GLN 51 -9.830 4.261 1.409 386 HA GLN 51 HA GLN 51 -9.216 5.738 -1.071 387 HB2 GLN 51 HB2 GLN 51 -7.445 3.440 -0.418 388 HB3 GLN 51 HB3 GLN 51 -7.115 4.915 -1.292 389 HG2 GLN 51 HG2 GLN 51 -5.827 4.925 0.755 390 HG3 GLN 51 HG3 GLN 51 -7.098 6.129 0.924 391 HE21 GLN 51 HE21 GLN 51 -7.289 6.028 3.226 392 HE22 GLN 51 HE22 GLN 51 -7.931 4.612 4.016 393 H TYR 52 HN TYR 52 -11.457 5.003 -1.307 394 HA TYR 52 HA TYR 52 -11.848 2.222 -2.251 395 HB2 TYR 52 HB2 TYR 52 -14.124 2.864 -2.589 396 HB3 TYR 52 HB3 TYR 52 -13.732 3.208 -0.982 397 HD1 TYR 52 HD2 TYR 52 -13.057 5.837 -0.503 398 HD2 TYR 52 HD1 TYR 52 -14.955 4.378 -4.116 399 HE1 TYR 52 HE2 TYR 52 -14.089 8.061 -0.879 400 HE2 TYR 52 HE1 TYR 52 -15.807 6.590 -4.585 401 HH TYR 52 HH TYR 52 -15.954 8.768 -3.884 402 H GLY 53 HN GLY 53 -13.071 2.223 -4.416 403 HA2 GLY 53 HA2 GLY 53 -13.225 2.727 -6.663 404 HA3 GLY 53 HA1 GLY 53 -12.672 4.357 -6.285 405 H LYS 54 HN LYS 54 -10.629 1.670 -5.334 406 HA LYS 54 HA LYS 54 -8.814 2.011 -7.651 407 HB2 LYS 54 HB2 LYS 54 -7.939 2.172 -4.726 408 HB3 LYS 54 HB3 LYS 54 -6.893 2.298 -6.139 409 HG2 LYS 54 HG2 LYS 54 -9.032 4.300 -5.351 410 HG3 LYS 54 HG3 LYS 54 -7.318 4.467 -5.030 411 HD2 LYS 54 HD2 LYS 54 -6.779 4.918 -7.227 412 HD3 LYS 54 HD3 LYS 54 -8.172 4.059 -7.892 413 HE2 LYS 54 HE2 LYS 54 -9.702 5.751 -7.357 414 HE3 LYS 54 HE3 LYS 54 -8.593 6.537 -6.216 415 HZ1 LYS 54 HZ1 LYS 54 -7.296 7.343 -7.965 416 HZ2 LYS 54 HZ2 LYS 54 -8.855 7.658 -8.385 417 HZ3 LYS 54 HZ3 LYS 54 -8.044 6.403 -9.104 418 H LEU 55 HN LEU 55 -10.555 -0.116 -7.291 419 HA LEU 55 HA LEU 55 -9.030 -2.443 -6.345 420 HB2 LEU 55 HB2 LEU 55 -11.703 -2.048 -7.191 421 HB3 LEU 55 HB3 LEU 55 -10.990 -2.866 -8.545 422 HG LEU 55 HG LEU 55 -11.098 -3.860 -5.681 423 HD11 LEU 55 HD11 LEU 55 -12.391 -4.878 -8.255 424 HD12 LEU 55 HD12 LEU 55 -13.206 -3.920 -7.015 425 HD13 LEU 55 HD13 LEU 55 -12.624 -5.533 -6.610 426 HD21 LEU 55 HD21 LEU 55 -9.020 -4.631 -6.653 427 HD22 LEU 55 HD22 LEU 55 -9.874 -5.257 -8.084 428 HD23 LEU 55 HD23 LEU 55 -10.155 -5.953 -6.458 429 H ASN 56 HN ASN 56 -9.858 -0.763 -9.365 430 HA ASN 56 HA ASN 56 -8.654 -2.603 -11.140 431 HB2 ASN 56 HB2 ASN 56 -9.273 0.361 -11.564 432 HB3 ASN 56 HB3 ASN 56 -8.870 -0.792 -12.821 433 HD21 ASN 56 HD21 ASN 56 -11.103 -2.203 -10.444 434 HD22 ASN 56 HD22 ASN 56 -12.465 -2.035 -11.477 435 H VAL 57 HN VAL 57 -7.264 0.044 -9.399 436 HA VAL 57 HA VAL 57 -5.269 1.051 -10.976 437 HB VAL 57 HB VAL 57 -6.035 1.842 -8.713 438 HG11 VAL 57 HG11 VAL 57 -5.035 0.931 -6.682 439 HG12 VAL 57 HG12 VAL 57 -5.863 -0.368 -7.556 440 HG13 VAL 57 HG13 VAL 57 -4.125 -0.282 -7.629 441 HG21 VAL 57 HG21 VAL 57 -3.015 1.579 -9.055 442 HG22 VAL 57 HG22 VAL 57 -4.058 2.817 -9.776 443 HG23 VAL 57 HG23 VAL 57 -3.863 2.762 -8.022 444 H GLY 58 HN GLY 58 -2.979 0.837 -11.111 445 HA2 GLY 58 HA2 GLY 58 -1.960 -1.835 -10.630 446 HA3 GLY 58 HA1 GLY 58 -2.341 -1.435 -12.322 447 H LEU 59 HN LEU 59 -1.136 0.649 -9.864 448 HA LEU 59 HA LEU 59 0.717 2.102 -9.701 449 HB2 LEU 59 HB2 LEU 59 0.836 -0.515 -8.958 450 HB3 LEU 59 HB3 LEU 59 2.212 -0.448 -10.005 451 HG LEU 59 HG LEU 59 1.952 1.846 -8.124 452 HD11 LEU 59 HD11 LEU 59 2.284 -0.837 -6.886 453 HD12 LEU 59 HD12 LEU 59 0.912 0.282 -6.729 454 HD13 LEU 59 HD13 LEU 59 2.521 0.784 -6.126 455 HD21 LEU 59 HD21 LEU 59 4.220 1.642 -7.745 456 HD22 LEU 59 HD22 LEU 59 4.089 1.012 -9.404 457 HD23 LEU 59 HD23 LEU 59 4.245 -0.103 -8.067 458 H VAL 60 HN VAL 60 3.057 2.319 -10.276 459 HA VAL 60 HA VAL 60 3.426 2.519 -13.200 460 HB VAL 60 HB VAL 60 3.981 5.032 -12.670 461 HG11 VAL 60 HG11 VAL 60 1.869 5.705 -13.553 462 HG12 VAL 60 HG12 VAL 60 2.192 4.098 -14.240 463 HG13 VAL 60 HG13 VAL 60 1.046 4.274 -12.918 464 HG21 VAL 60 HG21 VAL 60 3.440 4.794 -10.241 465 HG22 VAL 60 HG22 VAL 60 2.538 6.086 -11.052 466 HG23 VAL 60 HG23 VAL 60 1.734 4.551 -10.670 467 H GLY 61 HN GLY 61 4.677 2.953 -9.894 468 HA2 GLY 61 HA2 GLY 61 6.974 1.448 -10.131 469 HA3 GLY 61 HA1 GLY 61 7.458 2.941 -10.962 470 H VAL 62 HN VAL 62 9.076 2.510 -9.447 471 HA VAL 62 HA VAL 62 8.806 3.685 -6.830 472 HB VAL 62 HB VAL 62 9.985 1.498 -6.196 473 HG11 VAL 62 HG11 VAL 62 7.007 1.295 -6.581 474 HG12 VAL 62 HG12 VAL 62 7.995 0.502 -5.332 475 HG13 VAL 62 HG13 VAL 62 7.822 2.261 -5.320 476 HG21 VAL 62 HG21 VAL 62 8.293 0.204 -8.242 477 HG22 VAL 62 HG22 VAL 62 10.065 0.406 -8.405 478 HG23 VAL 62 HG23 VAL 62 9.401 -0.556 -7.078 479 H GLU 63 HN GLU 63 10.682 4.817 -6.478 480 HA GLU 63 HA GLU 63 13.189 3.907 -7.683 481 HB2 GLU 63 HB2 GLU 63 11.987 6.661 -8.256 482 HB3 GLU 63 HB3 GLU 63 13.690 6.276 -8.494 483 HG2 GLU 63 HG2 GLU 63 12.886 4.254 -9.873 484 HG3 GLU 63 HG3 GLU 63 11.309 5.051 -9.922 485 HA PRO 64 HA PRO 64 14.578 4.629 -3.798 486 HB2 PRO 64 HB2 PRO 64 17.251 5.266 -4.002 487 HB3 PRO 64 HB3 PRO 64 16.557 3.697 -4.495 488 HG2 PRO 64 HG2 PRO 64 17.167 6.096 -6.250 489 HG3 PRO 64 HG3 PRO 64 17.579 4.377 -6.541 490 HD2 PRO 64 HD2 PRO 64 15.434 5.476 -7.691 491 HD3 PRO 64 HD3 PRO 64 15.386 3.796 -7.066 492 H ALA 65 HN ALA 65 13.844 6.208 -2.388 493 HA ALA 65 HA ALA 65 14.361 9.060 -2.977 494 HB1 ALA 65 HB1 ALA 65 12.568 7.834 -0.837 495 HB2 ALA 65 HB2 ALA 65 12.711 9.551 -1.249 496 HB3 ALA 65 HB3 ALA 65 12.037 8.443 -2.421 497 H GLY 66 HN GLY 66 16.594 7.522 -2.190 498 HA2 GLY 66 HA2 GLY 66 18.418 8.693 -1.055 499 HA3 GLY 66 HA1 GLY 66 17.335 9.033 0.285 500 H GLN 67 HN GLN 67 18.941 8.102 1.691 501 HA GLN 67 HA GLN 67 19.763 5.308 1.258 502 HB2 GLN 67 HB2 GLN 67 20.591 7.375 3.329 503 HB3 GLN 67 HB3 GLN 67 21.414 5.853 2.997 504 HG2 GLN 67 HG2 GLN 67 21.184 8.001 0.863 505 HG3 GLN 67 HG3 GLN 67 22.408 8.043 2.100 506 HE21 GLN 67 HE21 GLN 67 21.147 5.759 -0.481 507 HE22 GLN 67 HE22 GLN 67 22.711 5.007 -0.698 508 H TYR 68 HN TYR 68 17.056 6.513 2.430 509 HA TYR 68 HA TYR 68 16.723 4.564 4.627 510 HB2 TYR 68 HB2 TYR 68 15.834 6.469 6.034 511 HB3 TYR 68 HB3 TYR 68 17.550 6.220 5.925 512 HD1 TYR 68 HD1 TYR 68 14.738 8.366 4.678 513 HD2 TYR 68 HD2 TYR 68 18.998 7.907 5.145 514 HE1 TYR 68 HE1 TYR 68 15.076 10.716 3.957 515 HE2 TYR 68 HE2 TYR 68 19.345 10.240 4.410 516 HH TYR 68 HH TYR 68 18.149 12.355 4.160 517 H ALA 69 HN ALA 69 15.247 5.987 1.845 518 HA ALA 69 HA ALA 69 12.658 4.998 2.662 519 HB1 ALA 69 HB1 ALA 69 11.482 7.137 2.203 520 HB2 ALA 69 HB2 ALA 69 12.594 7.329 3.569 521 HB3 ALA 69 HB3 ALA 69 13.046 7.955 1.963 522 H LEU 70 HN LEU 70 11.116 5.275 0.762 523 HA LEU 70 HA LEU 70 12.548 4.826 -1.819 524 HB2 LEU 70 HB2 LEU 70 11.680 2.852 -0.334 525 HB3 LEU 70 HB3 LEU 70 10.065 3.392 -0.839 526 HG LEU 70 HG LEU 70 10.918 1.525 -2.096 527 HD11 LEU 70 HD11 LEU 70 10.762 3.897 -3.947 528 HD12 LEU 70 HD12 LEU 70 9.338 3.216 -3.115 529 HD13 LEU 70 HD13 LEU 70 10.275 2.235 -4.249 530 HD21 LEU 70 HD21 LEU 70 13.382 2.783 -2.112 531 HD22 LEU 70 HD22 LEU 70 12.851 2.986 -3.788 532 HD23 LEU 70 HD23 LEU 70 12.927 1.363 -3.058 533 H LYS 71 HN LYS 71 11.499 5.972 -3.576 534 HA LYS 71 HA LYS 71 9.154 7.631 -2.965 535 HB2 LYS 71 HB2 LYS 71 11.282 8.352 -4.394 536 HB3 LYS 71 HB3 LYS 71 10.529 7.420 -5.650 537 HG2 LYS 71 HG2 LYS 71 9.561 9.464 -6.068 538 HG3 LYS 71 HG3 LYS 71 8.350 8.804 -4.971 539 HD2 LYS 71 HD2 LYS 71 9.501 9.874 -3.067 540 HD3 LYS 71 HD3 LYS 71 10.671 10.619 -4.151 541 HE2 LYS 71 HE2 LYS 71 7.669 11.050 -4.442 542 HE3 LYS 71 HE3 LYS 71 8.657 12.066 -3.382 543 HZ1 LYS 71 HZ1 LYS 71 9.915 12.796 -5.257 544 HZ2 LYS 71 HZ2 LYS 71 8.320 12.934 -5.655 545 HZ3 LYS 71 HZ3 LYS 71 9.220 11.713 -6.265 546 H LEU 72 HN LEU 72 7.275 6.428 -3.044 547 HA LEU 72 HA LEU 72 6.969 4.303 -5.099 548 HB2 LEU 72 HB2 LEU 72 5.947 4.736 -2.408 549 HB3 LEU 72 HB3 LEU 72 4.591 4.658 -3.517 550 HG LEU 72 HG LEU 72 6.815 2.586 -3.417 551 HD11 LEU 72 HD11 LEU 72 5.231 1.147 -2.204 552 HD12 LEU 72 HD12 LEU 72 4.131 2.536 -2.035 553 HD13 LEU 72 HD13 LEU 72 5.740 2.573 -1.280 554 HD21 LEU 72 HD21 LEU 72 5.488 2.656 -5.542 555 HD22 LEU 72 HD22 LEU 72 4.005 2.442 -4.613 556 HD23 LEU 72 HD23 LEU 72 5.245 1.164 -4.644 557 H SER 73 HN SER 73 4.963 4.343 -6.457 558 HA SER 73 HA SER 73 3.846 6.998 -6.964 559 HB2 SER 73 HB2 SER 73 5.230 5.309 -9.080 560 HB3 SER 73 HB3 SER 73 4.469 6.872 -9.324 561 HG SER 73 HG SER 73 6.823 6.816 -9.158 562 H PHE 74 HN PHE 74 1.739 6.726 -7.976 563 HA PHE 74 HA PHE 74 0.708 3.943 -8.286 564 HB2 PHE 74 HB2 PHE 74 -0.341 6.004 -6.283 565 HB3 PHE 74 HB3 PHE 74 -1.179 4.549 -6.769 566 HD1 PHE 74 HD2 PHE 74 -0.206 2.309 -6.281 567 HD2 PHE 74 HD1 PHE 74 1.575 5.858 -4.674 568 HE1 PHE 74 HE2 PHE 74 0.590 1.025 -4.415 569 HE2 PHE 74 HE1 PHE 74 2.445 4.561 -2.788 570 HZ PHE 74 HZ PHE 74 1.921 2.140 -2.564 571 H ASP 75 HN ASP 75 -0.580 3.828 -9.837 572 HA ASP 75 HA ASP 75 -1.290 5.980 -11.546 573 HB2 ASP 75 HB2 ASP 75 -0.957 3.678 -12.253 574 HB3 ASP 75 HB3 ASP 75 -2.349 3.163 -11.332 575 H ASP 76 HN ASP 76 -2.597 5.377 -8.568 576 HA ASP 76 HA ASP 76 -5.370 5.980 -8.691 577 HB2 ASP 76 HB2 ASP 76 -4.500 5.427 -6.540 578 HB3 ASP 76 HB3 ASP 76 -3.169 6.583 -6.691 579 H GLY 77 HN GLY 77 -2.475 8.050 -8.808 580 HA2 GLY 77 HA2 GLY 77 -2.864 10.140 -10.222 581 HA3 GLY 77 HA1 GLY 77 -4.192 10.476 -9.095 582 H HIS 78 HN HIS 78 -3.394 10.185 -6.634 583 HA HIS 78 HA HIS 78 -1.636 12.459 -6.387 584 HB2 HIS 78 HB2 HIS 78 -3.654 11.900 -4.957 585 HB3 HIS 78 HB3 HIS 78 -2.670 10.696 -4.129 586 HD1 HIS 78 HD1 HIS 78 -0.983 11.723 -2.284 587 HD2 HIS 78 HD2 HIS 78 -3.025 14.510 -4.700 588 HE1 HIS 78 HE1 HIS 78 -0.577 14.021 -1.223 589 H ASP 79 HN ASP 79 -0.718 9.408 -6.938 590 HA ASP 79 HA ASP 79 0.732 7.843 -6.353 591 HB2 ASP 79 HB2 ASP 79 2.508 10.196 -5.645 592 HB3 ASP 79 HB3 ASP 79 3.029 8.521 -5.625 593 H SER 80 HN SER 80 1.756 10.018 -3.725 594 HA SER 80 HA SER 80 0.553 8.756 -1.504 595 HB2 SER 80 HB2 SER 80 2.626 7.348 -0.878 596 HB3 SER 80 HB3 SER 80 1.444 6.703 -2.007 597 HG SER 80 HG SER 80 3.887 7.913 -2.837 598 H GLY 81 HN GLY 81 3.197 8.848 0.062 599 HA2 GLY 81 HA2 GLY 81 3.867 11.720 -0.209 600 HA3 GLY 81 HA1 GLY 81 3.236 11.100 1.321 601 H LEU 82 HN LEU 82 4.448 9.115 2.238 602 HA LEU 82 HA LEU 82 7.299 9.117 1.490 603 HB2 LEU 82 HB2 LEU 82 6.313 10.305 3.935 604 HB3 LEU 82 HB3 LEU 82 7.025 8.768 4.358 605 HG LEU 82 HG LEU 82 8.674 10.438 4.612 606 HD11 LEU 82 HD11 LEU 82 9.424 8.978 2.045 607 HD12 LEU 82 HD12 LEU 82 9.469 8.269 3.686 608 HD13 LEU 82 HD13 LEU 82 10.503 9.643 3.275 609 HD21 LEU 82 HD21 LEU 82 7.723 12.153 3.121 610 HD22 LEU 82 HD22 LEU 82 8.306 11.246 1.712 611 HD23 LEU 82 HD23 LEU 82 9.460 11.926 2.879 612 H PHE 83 HN PHE 83 8.328 7.163 1.928 613 HA PHE 83 HA PHE 83 6.893 5.016 3.289 614 HB2 PHE 83 HB2 PHE 83 7.620 4.950 0.352 615 HB3 PHE 83 HB3 PHE 83 7.641 3.492 1.322 616 HD1 PHE 83 HD1 PHE 83 5.580 2.838 2.646 617 HD2 PHE 83 HD2 PHE 83 5.472 5.771 -0.488 618 HE1 PHE 83 HE1 PHE 83 3.161 2.277 2.180 619 HE2 PHE 83 HE2 PHE 83 3.123 5.194 -0.937 620 HZ PHE 83 HZ PHE 83 2.001 3.358 0.351 621 H THR 84 HN THR 84 8.457 5.309 4.890 622 HA THR 84 HA THR 84 11.264 5.343 4.342 623 HB THR 84 HB THR 84 9.898 4.712 6.974 624 HG1 THR 84 HG1 THR 84 9.291 6.777 7.179 625 HG21 THR 84 HG21 THR 84 12.312 6.430 6.235 626 HG22 THR 84 HG22 THR 84 12.398 4.779 6.844 627 HG23 THR 84 HG23 THR 84 11.745 6.041 7.888 628 H TRP 85 HN TRP 85 12.805 3.596 4.984 629 HA TRP 85 HA TRP 85 12.165 1.178 3.747 630 HB2 TRP 85 HB2 TRP 85 14.345 2.082 5.630 631 HB3 TRP 85 HB3 TRP 85 14.286 0.426 5.139 632 HD1 TRP 85 HD1 TRP 85 16.554 2.538 4.556 633 HE1 TRP 85 HE1 TRP 85 17.465 2.824 2.163 634 HE3 TRP 85 HE3 TRP 85 12.683 0.387 1.924 635 HZ2 TRP 85 HZ2 TRP 85 16.465 2.396 -0.553 636 HZ3 TRP 85 HZ3 TRP 85 12.867 0.118 -0.496 637 HH2 TRP 85 HH2 TRP 85 14.814 1.044 -1.727 638 H ASP 86 HN ASP 86 12.084 1.913 7.183 639 HA ASP 86 HA ASP 86 11.638 -0.785 8.117 640 HB2 ASP 86 HB2 ASP 86 11.068 0.319 10.211 641 HB3 ASP 86 HB3 ASP 86 12.624 0.816 9.576 642 H TYR 87 HN TYR 87 9.594 2.084 7.642 643 HA TYR 87 HA TYR 87 7.092 0.872 8.222 644 HB2 TYR 87 HB2 TYR 87 7.461 3.308 7.913 645 HB3 TYR 87 HB3 TYR 87 7.680 3.055 6.188 646 HD1 TYR 87 HD1 TYR 87 5.129 1.992 8.794 647 HD2 TYR 87 HD2 TYR 87 5.828 3.752 4.912 648 HE1 TYR 87 HE1 TYR 87 2.706 2.342 8.508 649 HE2 TYR 87 HE2 TYR 87 3.404 4.043 4.603 650 HH TYR 87 HH TYR 87 1.227 3.485 5.461 651 H LEU 88 HN LEU 88 9.008 0.780 5.229 652 HA LEU 88 HA LEU 88 7.050 -0.601 3.652 653 HB2 LEU 88 HB2 LEU 88 10.049 -0.255 3.468 654 HB3 LEU 88 HB3 LEU 88 9.193 -1.316 2.351 655 HG LEU 88 HG LEU 88 8.193 1.520 2.797 656 HD11 LEU 88 HD11 LEU 88 9.540 2.271 0.922 657 HD12 LEU 88 HD12 LEU 88 10.383 0.708 0.835 658 HD13 LEU 88 HD13 LEU 88 10.569 1.774 2.247 659 HD21 LEU 88 HD21 LEU 88 8.164 -0.378 0.424 660 HD22 LEU 88 HD22 LEU 88 7.291 1.181 0.554 661 HD23 LEU 88 HD23 LEU 88 6.841 -0.206 1.560 662 H TYR 89 HN TYR 89 9.920 -1.909 5.351 663 HA TYR 89 HA TYR 89 9.095 -4.592 4.656 664 HB2 TYR 89 HB2 TYR 89 11.334 -3.291 6.085 665 HB3 TYR 89 HB3 TYR 89 10.977 -4.898 6.621 666 HD1 TYR 89 HD1 TYR 89 10.206 -6.520 4.281 667 HD2 TYR 89 HD2 TYR 89 12.954 -3.182 4.418 668 HE1 TYR 89 HE1 TYR 89 11.329 -7.356 2.342 669 HE2 TYR 89 HE2 TYR 89 14.254 -4.178 2.611 670 HH TYR 89 HH TYR 89 13.654 -7.480 1.547 671 H GLU 90 HN GLU 90 8.301 -2.569 7.394 672 HA GLU 90 HA GLU 90 7.122 -4.556 9.054 673 HB2 GLU 90 HB2 GLU 90 7.482 -2.202 9.698 674 HB3 GLU 90 HB3 GLU 90 6.437 -1.657 8.401 675 HG2 GLU 90 HG2 GLU 90 5.214 -1.423 10.357 676 HG3 GLU 90 HG3 GLU 90 4.503 -2.812 9.543 677 H LEU 91 HN LEU 91 5.552 -2.458 6.573 678 HA LEU 91 HA LEU 91 3.081 -3.874 6.606 679 HB2 LEU 91 HB2 LEU 91 4.267 -2.074 4.497 680 HB3 LEU 91 HB3 LEU 91 2.574 -2.535 4.596 681 HG LEU 91 HG LEU 91 3.991 -0.975 6.798 682 HD11 LEU 91 HD11 LEU 91 4.066 0.750 5.378 683 HD12 LEU 91 HD12 LEU 91 2.292 0.807 5.457 684 HD13 LEU 91 HD13 LEU 91 3.088 -0.078 4.169 685 HD21 LEU 91 HD21 LEU 91 1.032 -1.271 6.280 686 HD22 LEU 91 HD22 LEU 91 1.786 -0.222 7.479 687 HD23 LEU 91 HD23 LEU 91 1.979 -1.957 7.644 688 H ALA 92 HN ALA 92 5.980 -4.485 4.683 689 HA ALA 92 HA ALA 92 5.029 -6.243 2.697 690 HB1 ALA 92 HB1 ALA 92 7.431 -5.597 2.958 691 HB2 ALA 92 HB2 ALA 92 7.553 -6.643 4.396 692 HB3 ALA 92 HB3 ALA 92 7.212 -7.359 2.828 693 H THR 93 HN THR 93 5.977 -7.101 6.049 694 HA THR 93 HA THR 93 5.029 -9.852 5.574 695 HB THR 93 HB THR 93 7.164 -9.557 6.622 696 HG1 THR 93 HG1 THR 93 6.006 -11.376 7.293 697 HG21 THR 93 HG21 THR 93 5.802 -8.257 8.960 698 HG22 THR 93 HG22 THR 93 6.880 -7.474 7.771 699 HG23 THR 93 HG23 THR 93 7.522 -8.748 8.810 700 H ARG 94 HN ARG 94 3.937 -7.011 7.232 701 HA ARG 94 HA ARG 94 1.844 -8.165 8.849 702 HB2 ARG 94 HB2 ARG 94 2.508 -5.480 7.713 703 HB3 ARG 94 HB3 ARG 94 1.118 -5.733 8.766 704 HG2 ARG 94 HG2 ARG 94 3.850 -6.675 9.674 705 HG3 ARG 94 HG3 ARG 94 3.472 -4.964 9.715 706 HD2 ARG 94 HD2 ARG 94 1.731 -7.153 10.906 707 HD3 ARG 94 HD3 ARG 94 2.911 -6.263 11.848 708 HE ARG 94 HE ARG 94 0.269 -5.450 11.088 709 HH11 ARG 94 HH11 ARG 94 3.483 -4.233 11.992 710 HH12 ARG 94 HH12 ARG 94 2.906 -2.680 12.505 711 HH21 ARG 94 HH21 ARG 94 -0.474 -3.412 11.719 712 HH22 ARG 94 HH22 ARG 94 0.583 -2.155 12.270 713 H LYS 95 HN LYS 95 2.005 -8.013 5.456 714 HA LYS 95 HA LYS 95 0.036 -6.568 4.563 715 HB2 LYS 95 HB2 LYS 95 1.426 -7.831 3.035 716 HB3 LYS 95 HB3 LYS 95 0.744 -9.370 3.573 717 HG2 LYS 95 HG2 LYS 95 -1.478 -8.758 2.598 718 HG3 LYS 95 HG3 LYS 95 -0.818 -7.190 2.124 719 HD2 LYS 95 HD2 LYS 95 -0.903 -8.579 0.214 720 HD3 LYS 95 HD3 LYS 95 0.794 -8.365 0.685 721 HE2 LYS 95 HE2 LYS 95 1.021 -10.555 1.458 722 HE3 LYS 95 HE3 LYS 95 -0.743 -10.799 1.580 723 HZ1 LYS 95 HZ1 LYS 95 0.028 -11.958 -0.269 724 HZ2 LYS 95 HZ2 LYS 95 0.853 -10.692 -0.919 725 HZ3 LYS 95 HZ3 LYS 95 -0.808 -10.685 -0.850 726 H ASP 96 HN ASP 96 -0.671 -10.039 5.421 727 HA ASP 96 HA ASP 96 -3.223 -10.198 4.631 728 HB2 ASP 96 HB2 ASP 96 -1.401 -11.474 6.666 729 HB3 ASP 96 HB3 ASP 96 -3.079 -11.885 6.686 730 H GLN 97 HN GLN 97 -2.066 -8.868 7.823 731 HA GLN 97 HA GLN 97 -4.770 -8.896 8.919 732 HB2 GLN 97 HB2 GLN 97 -2.863 -9.368 10.333 733 HB3 GLN 97 HB3 GLN 97 -2.031 -7.905 9.822 734 HG2 GLN 97 HG2 GLN 97 -2.895 -7.649 12.071 735 HG3 GLN 97 HG3 GLN 97 -3.727 -6.529 11.004 736 HE21 GLN 97 HE21 GLN 97 -5.998 -6.962 10.414 737 HE22 GLN 97 HE22 GLN 97 -6.954 -7.981 11.467 738 H LEU 98 HN LEU 98 -2.432 -6.637 7.535 739 HA LEU 98 HA LEU 98 -3.788 -4.161 8.052 740 HB2 LEU 98 HB2 LEU 98 -2.043 -4.919 5.666 741 HB3 LEU 98 HB3 LEU 98 -2.393 -3.292 6.199 742 HG LEU 98 HG LEU 98 -0.924 -5.326 7.916 743 HD11 LEU 98 HD11 LEU 98 1.072 -3.889 7.364 744 HD12 LEU 98 HD12 LEU 98 0.138 -3.253 5.996 745 HD13 LEU 98 HD13 LEU 98 0.540 -4.987 6.099 746 HD21 LEU 98 HD21 LEU 98 -0.226 -3.517 9.230 747 HD22 LEU 98 HD22 LEU 98 -1.985 -3.541 9.155 748 HD23 LEU 98 HD23 LEU 98 -1.080 -2.337 8.174 749 H TRP 99 HN TRP 99 -3.935 -6.542 5.389 750 HA TRP 99 HA TRP 99 -5.644 -4.971 3.769 751 HB2 TRP 99 HB2 TRP 99 -4.282 -6.958 3.050 752 HB3 TRP 99 HB3 TRP 99 -5.431 -7.992 3.892 753 HD1 TRP 99 HD1 TRP 99 -7.047 -9.027 2.263 754 HE1 TRP 99 HE1 TRP 99 -8.177 -8.390 0.029 755 HE3 TRP 99 HE3 TRP 99 -5.371 -4.195 1.835 756 HZ2 TRP 99 HZ2 TRP 99 -8.332 -6.097 -1.660 757 HZ3 TRP 99 HZ3 TRP 99 -6.107 -2.796 -0.056 758 HH2 TRP 99 HH2 TRP 99 -7.565 -3.727 -1.787 759 H ALA 100 HN ALA 100 -6.431 -7.446 6.270 760 HA ALA 100 HA ALA 100 -9.233 -7.331 5.865 761 HB1 ALA 100 HB1 ALA 100 -8.050 -9.084 7.184 762 HB2 ALA 100 HB2 ALA 100 -7.708 -7.891 8.454 763 HB3 ALA 100 HB3 ALA 100 -9.383 -8.350 8.096 764 H ASP 101 HN ASP 101 -7.058 -5.214 7.726 765 HA ASP 101 HA ASP 101 -9.065 -3.706 9.152 766 HB2 ASP 101 HB2 ASP 101 -6.724 -3.943 9.856 767 HB3 ASP 101 HB3 ASP 101 -6.167 -3.120 8.417 768 H TYR 102 HN TYR 102 -7.161 -3.032 6.146 769 HA TYR 102 HA TYR 102 -8.572 -0.637 5.505 770 HB2 TYR 102 HB2 TYR 102 -6.825 -2.597 3.976 771 HB3 TYR 102 HB3 TYR 102 -7.548 -1.215 3.214 772 HD1 TYR 102 HD2 TYR 102 -7.231 1.071 4.946 773 HD2 TYR 102 HD1 TYR 102 -4.554 -2.294 4.543 774 HE1 TYR 102 HE2 TYR 102 -5.459 2.356 6.037 775 HE2 TYR 102 HE1 TYR 102 -2.765 -0.991 5.649 776 HH TYR 102 HH TYR 102 -3.410 1.942 7.341 777 H LEU 103 HN LEU 103 -9.194 -3.948 4.697 778 HA LEU 103 HA LEU 103 -11.418 -3.569 2.892 779 HB2 LEU 103 HB2 LEU 103 -10.541 -5.779 4.742 780 HB3 LEU 103 HB3 LEU 103 -12.216 -5.783 4.233 781 HG LEU 103 HG LEU 103 -11.806 -6.389 2.113 782 HD11 LEU 103 HD11 LEU 103 -9.770 -6.050 0.791 783 HD12 LEU 103 HD12 LEU 103 -9.019 -5.161 2.138 784 HD13 LEU 103 HD13 LEU 103 -10.454 -4.539 1.299 785 HD21 LEU 103 HD21 LEU 103 -10.870 -8.138 3.543 786 HD22 LEU 103 HD22 LEU 103 -9.262 -7.356 3.460 787 HD23 LEU 103 HD23 LEU 103 -9.989 -8.042 1.999 788 H ALA 104 HN ALA 104 -11.313 -3.887 6.474 789 HA ALA 104 HA ALA 104 -14.097 -3.584 6.876 790 HB1 ALA 104 HB1 ALA 104 -11.810 -2.832 8.739 791 HB2 ALA 104 HB2 ALA 104 -13.487 -3.207 9.172 792 HB3 ALA 104 HB3 ALA 104 -12.450 -4.487 8.522 793 H GLU 105 HN GLU 105 -11.444 -1.168 6.740 794 HA GLU 105 HA GLU 105 -12.977 1.136 7.279 795 HB2 GLU 105 HB2 GLU 105 -10.564 0.584 5.567 796 HB3 GLU 105 HB3 GLU 105 -11.280 2.187 5.539 797 HG2 GLU 105 HG2 GLU 105 -10.619 0.797 8.165 798 HG3 GLU 105 HG3 GLU 105 -9.425 1.635 7.204 799 H LEU 106 HN LEU 106 -12.437 -0.468 4.096 800 HA LEU 106 HA LEU 106 -14.085 1.312 2.641 801 HB2 LEU 106 HB2 LEU 106 -12.590 -1.096 2.087 802 HB3 LEU 106 HB3 LEU 106 -14.241 -1.403 1.576 803 HG LEU 106 HG LEU 106 -13.125 -0.518 -0.359 804 HD11 LEU 106 HD11 LEU 106 -15.408 0.346 0.312 805 HD12 LEU 106 HD12 LEU 106 -14.514 1.154 -0.965 806 HD13 LEU 106 HD13 LEU 106 -14.588 1.873 0.675 807 HD21 LEU 106 HD21 LEU 106 -11.160 0.460 0.197 808 HD22 LEU 106 HD22 LEU 106 -11.795 1.269 1.621 809 HD23 LEU 106 HD23 LEU 106 -12.105 1.928 0.008 810 H ALA 107 HN ALA 107 -14.823 -1.664 4.350 811 HA ALA 107 HA ALA 107 -17.536 -1.861 3.417 812 HB1 ALA 107 HB1 ALA 107 -17.656 -3.705 5.057 813 HB2 ALA 107 HB2 ALA 107 -16.170 -3.813 4.085 814 HB3 ALA 107 HB3 ALA 107 -16.098 -3.204 5.744 815 H SER 108 HN SER 108 -16.019 -0.354 6.296 816 HA SER 108 HA SER 108 -18.551 0.279 7.556 817 HB2 SER 108 HB2 SER 108 -16.362 0.177 8.776 818 HB3 SER 108 HB3 SER 108 -15.840 1.634 7.896 819 HG SER 108 HG SER 108 -16.780 2.472 9.669 820 H ALA 109 HN ALA 109 -16.186 2.056 5.494 821 HA ALA 109 HA ALA 109 -17.537 4.513 5.335 822 HB1 ALA 109 HB1 ALA 109 -16.151 4.948 3.407 823 HB2 ALA 109 HB2 ALA 109 -15.225 4.171 4.692 824 HB3 ALA 109 HB3 ALA 109 -15.729 3.221 3.273 825 H GLY 110 HN GLY 110 -18.219 1.455 3.705 826 HA2 GLY 110 HA2 GLY 110 -20.026 0.797 2.478 827 HA3 GLY 110 HA1 GLY 110 -20.806 2.347 2.821 828 H LYS 111 HN LYS 111 -17.649 2.362 1.380 829 HA LYS 111 HA LYS 111 -18.767 3.347 -1.222 830 HB2 LYS 111 HB2 LYS 111 -15.870 3.369 -0.395 831 HB3 LYS 111 HB3 LYS 111 -16.627 4.264 -1.697 832 HG2 LYS 111 HG2 LYS 111 -17.028 4.844 1.259 833 HG3 LYS 111 HG3 LYS 111 -15.903 5.677 0.205 834 HD2 LYS 111 HD2 LYS 111 -17.806 6.402 -1.246 835 HD3 LYS 111 HD3 LYS 111 -18.920 5.612 -0.100 836 HE2 LYS 111 HE2 LYS 111 -17.651 7.078 1.695 837 HE3 LYS 111 HE3 LYS 111 -17.071 8.007 0.324 838 HZ1 LYS 111 HZ1 LYS 111 -19.267 8.624 -0.231 839 HZ2 LYS 111 HZ2 LYS 111 -19.135 8.876 1.374 840 HZ3 LYS 111 HZ3 LYS 111 -19.963 7.570 0.815 841 H SER 112 HN SER 112 -16.819 2.562 -2.944 842 HA SER 112 HA SER 112 -16.481 -0.328 -2.462 843 HB2 SER 112 HB2 SER 112 -17.396 0.892 -5.095 844 HB3 SER 112 HB3 SER 112 -17.401 -0.828 -4.675 845 HG SER 112 HG SER 112 -19.106 1.237 -3.641 846 H ARG 113 HN ARG 113 -14.806 -1.367 -3.313 847 HA ARG 113 HA ARG 113 -12.508 0.175 -4.136 848 HB2 ARG 113 HB2 ARG 113 -12.897 -2.785 -4.690 849 HB3 ARG 113 HB3 ARG 113 -11.388 -1.909 -4.479 850 HG2 ARG 113 HG2 ARG 113 -12.301 -1.449 -2.059 851 HG3 ARG 113 HG3 ARG 113 -13.436 -2.763 -2.411 852 HD2 ARG 113 HD2 ARG 113 -11.743 -3.951 -1.372 853 HD3 ARG 113 HD3 ARG 113 -11.227 -4.077 -3.058 854 HE ARG 113 HE ARG 113 -9.438 -2.816 -2.674 855 HH11 ARG 113 HH11 ARG 113 -11.421 -2.773 0.309 856 HH12 ARG 113 HH12 ARG 113 -10.367 -1.733 1.188 857 HH21 ARG 113 HH21 ARG 113 -8.230 -1.175 -1.604 858 HH22 ARG 113 HH22 ARG 113 -8.429 -0.846 0.094 859 H ASP 114 HN ASP 114 -14.974 -1.783 -5.842 860 HA ASP 114 HA ASP 114 -13.772 -1.235 -8.410 861 HB2 ASP 114 HB2 ASP 114 -15.700 -3.059 -7.406 862 HB3 ASP 114 HB3 ASP 114 -16.564 -2.085 -8.573 863 HA PRO 115 HA PRO 115 -15.053 2.608 -9.161 864 HB2 PRO 115 HB2 PRO 115 -15.681 2.626 -11.943 865 HB3 PRO 115 HB3 PRO 115 -14.091 2.846 -11.152 866 HG2 PRO 115 HG2 PRO 115 -15.206 0.397 -12.454 867 HG3 PRO 115 HG3 PRO 115 -13.510 0.916 -12.268 868 HD2 PRO 115 HD2 PRO 115 -14.825 -1.026 -10.803 869 HD3 PRO 115 HD3 PRO 115 -13.370 -0.158 -10.241 870 H ASP 116 HN ASP 116 -17.489 0.335 -10.370 871 HA ASP 116 HA ASP 116 -19.542 1.985 -9.050 872 HB2 ASP 116 HB2 ASP 116 -19.285 2.751 -11.486 873 HB3 ASP 116 HB3 ASP 116 -20.015 1.220 -11.924 874 H GLU 117 HN GLU 117 -18.838 0.005 -7.815 875 HA GLU 117 HA GLU 117 -19.614 -2.631 -8.507 876 HB2 GLU 117 HB2 GLU 117 -18.016 -1.557 -6.646 877 HB3 GLU 117 HB3 GLU 117 -19.468 -1.689 -5.653 878 HG2 GLU 117 HG2 GLU 117 -19.444 -4.208 -6.573 879 HG3 GLU 117 HG3 GLU 117 -17.774 -3.830 -6.912 880 H SER 118 HN SER 118 -21.011 -3.700 -6.409 881 HA SER 118 HA SER 118 -23.640 -2.450 -6.150 882 HB2 SER 118 HB2 SER 118 -22.994 -5.290 -7.048 883 HB3 SER 118 HB3 SER 118 -24.439 -4.933 -6.110 884 HG SER 118 HG SER 118 -23.788 -3.945 -8.693 885 H VAL 119 HN VAL 119 -22.709 -1.713 -4.212 886 HA VAL 119 HA VAL 119 -23.249 -3.696 -2.127 887 HB VAL 119 HB VAL 119 -20.859 -3.807 -2.319 888 HG11 VAL 119 HG11 VAL 119 -19.337 -2.000 -1.912 889 HG12 VAL 119 HG12 VAL 119 -20.391 -1.621 -3.280 890 HG13 VAL 119 HG13 VAL 119 -20.670 -0.852 -1.697 891 HG21 VAL 119 HG21 VAL 119 -20.254 -3.431 -0.014 892 HG22 VAL 119 HG22 VAL 119 -21.631 -2.338 0.215 893 HG23 VAL 119 HG23 VAL 119 -21.905 -4.070 -0.113 894 H VAL 120 HN VAL 120 -24.744 -2.912 -0.850 895 HA VAL 120 HA VAL 120 -25.045 0.002 -0.449 896 HB VAL 120 HB VAL 120 -26.444 -0.886 -2.298 897 HG11 VAL 120 HG11 VAL 120 -26.927 -3.153 -1.510 898 HG12 VAL 120 HG12 VAL 120 -27.892 -2.501 -0.156 899 HG13 VAL 120 HG13 VAL 120 -28.416 -2.266 -1.834 900 HG21 VAL 120 HG21 VAL 120 -28.285 0.002 -0.074 901 HG22 VAL 120 HG22 VAL 120 -27.120 1.095 -0.835 902 HG23 VAL 120 HG23 VAL 120 -28.372 0.317 -1.820 903 H LYS 121 HN LYS 121 -23.903 -2.195 1.278 904 HA LYS 121 HA LYS 121 -25.532 -1.743 3.677 905 HB2 LYS 121 HB2 LYS 121 -24.941 -4.136 4.366 906 HB3 LYS 121 HB3 LYS 121 -26.292 -3.941 3.258 907 HG2 LYS 121 HG2 LYS 121 -23.613 -4.353 1.981 908 HG3 LYS 121 HG3 LYS 121 -24.205 -5.714 2.909 909 HD2 LYS 121 HD2 LYS 121 -26.140 -4.486 0.949 910 HD3 LYS 121 HD3 LYS 121 -24.738 -5.333 0.300 911 HE2 LYS 121 HE2 LYS 121 -26.532 -6.916 0.437 912 HE3 LYS 121 HE3 LYS 121 -25.270 -7.345 1.595 913 HZ1 LYS 121 HZ1 LYS 121 -27.856 -6.050 2.243 914 HZ2 LYS 121 HZ2 LYS 121 -26.645 -6.385 3.348 915 HZ3 LYS 121 HZ3 LYS 121 -27.395 -7.588 2.582 916 H LEU 122 HN LEU 122 -24.164 -1.866 5.587 917 HA LEU 122 HA LEU 122 -21.304 -1.354 4.933 918 HB2 LEU 122 HB2 LEU 122 -21.080 -0.031 6.788 919 HB3 LEU 122 HB3 LEU 122 -22.637 0.464 6.151 920 HG LEU 122 HG LEU 122 -22.190 -1.402 8.546 921 HD11 LEU 122 HD11 LEU 122 -21.473 0.928 8.960 922 HD12 LEU 122 HD12 LEU 122 -22.879 0.465 9.931 923 HD13 LEU 122 HD13 LEU 122 -23.095 1.502 8.504 924 HD21 LEU 122 HD21 LEU 122 -24.753 -0.179 7.414 925 HD22 LEU 122 HD22 LEU 122 -24.612 -0.964 9.008 926 HD23 LEU 122 HD23 LEU 122 -24.347 -1.913 7.557 927 H MET 123 HN MET 123 -19.734 -2.229 6.517 928 HA MET 123 HA MET 123 -20.697 -3.890 8.643 929 HB2 MET 123 HB2 MET 123 -20.595 -5.663 6.982 930 HB3 MET 123 HB3 MET 123 -18.948 -5.189 6.507 931 HG2 MET 123 HG2 MET 123 -17.984 -6.062 8.398 932 HG3 MET 123 HG3 MET 123 -19.413 -5.814 9.391 933 HE1 MET 123 HE1 MET 123 -21.483 -8.912 9.232 934 HE2 MET 123 HE2 MET 123 -20.829 -7.618 10.263 935 HE3 MET 123 HE3 MET 123 -21.755 -7.207 8.801 936 H LEU 124 HN LEU 124 -19.600 -2.987 10.247 937 HA LEU 124 HA LEU 124 -16.965 -1.738 9.940 938 HB2 LEU 124 HB2 LEU 124 -18.690 -2.523 12.329 939 HB3 LEU 124 HB3 LEU 124 -17.069 -1.900 12.503 940 HG LEU 124 HG LEU 124 -18.803 -0.250 10.706 941 HD11 LEU 124 HD11 LEU 124 -19.905 0.871 12.611 942 HD12 LEU 124 HD12 LEU 124 -19.384 -0.454 13.675 943 HD13 LEU 124 HD13 LEU 124 -20.495 -0.769 12.324 944 HD21 LEU 124 HD21 LEU 124 -17.687 1.570 11.933 945 HD22 LEU 124 HD22 LEU 124 -16.513 0.395 11.326 946 HD23 LEU 124 HD23 LEU 124 -16.957 0.376 13.039 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 20.956 0.627 12.427 2 HA2 GLY 1 HA2 GLY 1 21.497 -1.142 10.855 3 HA3 GLY 1 HA1 GLY 1 20.113 -2.050 11.487 4 H MET 2 HN MET 2 20.104 -1.743 8.809 5 HA MET 2 HA MET 2 17.765 -0.058 8.462 6 HB2 MET 2 HB2 MET 2 18.462 1.052 6.475 7 HB3 MET 2 HB3 MET 2 19.534 1.461 7.829 8 HG2 MET 2 HG2 MET 2 20.808 -0.657 6.895 9 HG3 MET 2 HG3 MET 2 20.061 -0.173 5.372 10 HE1 MET 2 HE1 MET 2 21.520 3.563 5.130 11 HE2 MET 2 HE2 MET 2 20.170 2.514 4.658 12 HE3 MET 2 HE3 MET 2 20.246 3.209 6.303 13 H ARG 3 HN ARG 3 16.239 -1.317 7.649 14 HA ARG 3 HA ARG 3 16.908 -3.865 6.360 15 HB2 ARG 3 HB2 ARG 3 14.268 -2.686 7.256 16 HB3 ARG 3 HB3 ARG 3 14.571 -4.303 6.609 17 HG2 ARG 3 HG2 ARG 3 16.260 -4.086 8.876 18 HG3 ARG 3 HG3 ARG 3 14.703 -3.337 9.320 19 HD2 ARG 3 HD2 ARG 3 13.643 -5.408 8.215 20 HD3 ARG 3 HD3 ARG 3 15.232 -6.152 8.391 21 HE ARG 3 HE ARG 3 13.347 -5.292 10.509 22 HH11 ARG 3 HH11 ARG 3 16.577 -6.710 9.813 23 HH12 ARG 3 HH12 ARG 3 16.732 -7.282 11.428 24 HH21 ARG 3 HH21 ARG 3 13.728 -5.933 12.661 25 HH22 ARG 3 HH22 ARG 3 15.206 -6.718 13.092 26 H ILE 4 HN ILE 4 17.438 -3.333 4.315 27 HA ILE 4 HA ILE 4 15.574 -1.645 2.667 28 HB ILE 4 HB ILE 4 18.478 -2.382 2.126 29 HG12 ILE 4 HG12 ILE 4 17.103 0.225 2.882 30 HG13 ILE 4 HG13 ILE 4 18.239 -0.679 3.870 31 HG21 ILE 4 HG21 ILE 4 18.244 -0.916 0.115 32 HG22 ILE 4 HG22 ILE 4 17.208 -2.324 0.013 33 HG23 ILE 4 HG23 ILE 4 16.506 -0.762 0.458 34 HD11 ILE 4 HD11 ILE 4 19.394 1.209 2.975 35 HD12 ILE 4 HD12 ILE 4 20.033 -0.244 2.176 36 HD13 ILE 4 HD13 ILE 4 18.901 0.840 1.326 37 HA PRO 5 HA PRO 5 14.681 -5.754 0.854 38 HB2 PRO 5 HB2 PRO 5 12.694 -5.042 -0.901 39 HB3 PRO 5 HB3 PRO 5 12.412 -5.336 0.834 40 HG2 PRO 5 HG2 PRO 5 12.749 -2.692 -0.534 41 HG3 PRO 5 HG3 PRO 5 11.565 -3.140 0.688 42 HD2 PRO 5 HD2 PRO 5 13.970 -1.779 1.160 43 HD3 PRO 5 HD3 PRO 5 13.221 -2.829 2.397 44 H SER 6 HN SER 6 15.826 -6.609 -0.676 45 HA SER 6 HA SER 6 16.653 -4.932 -3.003 46 HB2 SER 6 HB2 SER 6 17.806 -7.506 -1.892 47 HB3 SER 6 HB3 SER 6 18.163 -6.878 -3.518 48 HG SER 6 HG SER 6 18.625 -5.613 -1.025 49 H ALA 7 HN ALA 7 14.240 -7.178 -1.968 50 HA ALA 7 HA ALA 7 14.143 -8.583 -4.503 51 HB1 ALA 7 HB1 ALA 7 12.222 -8.699 -2.108 52 HB2 ALA 7 HB2 ALA 7 12.470 -9.910 -3.374 53 HB3 ALA 7 HB3 ALA 7 13.737 -9.632 -2.170 54 H ILE 8 HN ILE 8 13.745 -5.857 -4.725 55 HA ILE 8 HA ILE 8 11.080 -4.917 -4.577 56 HB ILE 8 HB ILE 8 13.334 -3.997 -6.428 57 HG12 ILE 8 HG12 ILE 8 14.221 -3.950 -4.199 58 HG13 ILE 8 HG13 ILE 8 13.942 -2.320 -4.776 59 HG21 ILE 8 HG21 ILE 8 11.270 -2.956 -7.145 60 HG22 ILE 8 HG22 ILE 8 10.927 -2.441 -5.476 61 HG23 ILE 8 HG23 ILE 8 12.289 -1.736 -6.363 62 HD11 ILE 8 HD11 ILE 8 12.258 -3.847 -2.803 63 HD12 ILE 8 HD12 ILE 8 13.267 -2.380 -2.541 64 HD13 ILE 8 HD13 ILE 8 11.788 -2.259 -3.470 65 H GLN 9 HN GLN 9 9.593 -6.250 -5.521 66 HA GLN 9 HA GLN 9 9.648 -6.558 -8.507 67 HB2 GLN 9 HB2 GLN 9 8.936 -8.519 -6.316 68 HB3 GLN 9 HB3 GLN 9 7.969 -8.488 -7.798 69 HG2 GLN 9 HG2 GLN 9 9.935 -8.699 -9.152 70 HG3 GLN 9 HG3 GLN 9 10.966 -8.854 -7.702 71 HE21 GLN 9 HE21 GLN 9 10.030 -10.789 -6.130 72 HE22 GLN 9 HE22 GLN 9 9.608 -12.229 -7.040 73 H LEU 10 HN LEU 10 8.324 -4.911 -9.139 74 HA LEU 10 HA LEU 10 5.970 -4.191 -7.531 75 HB2 LEU 10 HB2 LEU 10 5.595 -2.458 -8.941 76 HB3 LEU 10 HB3 LEU 10 7.338 -2.506 -8.895 77 HG LEU 10 HG LEU 10 5.614 -3.531 -11.197 78 HD11 LEU 10 HD11 LEU 10 7.330 -1.035 -10.932 79 HD12 LEU 10 HD12 LEU 10 5.556 -1.074 -10.858 80 HD13 LEU 10 HD13 LEU 10 6.385 -1.538 -12.351 81 HD21 LEU 10 HD21 LEU 10 8.649 -3.228 -10.930 82 HD22 LEU 10 HD22 LEU 10 7.785 -3.575 -12.438 83 HD23 LEU 10 HD23 LEU 10 7.751 -4.752 -11.128 84 H HIS 11 HN HIS 11 6.674 -6.718 -9.562 85 HA HIS 11 HA HIS 11 5.647 -8.048 -11.051 86 HB2 HIS 11 HB2 HIS 11 3.740 -7.863 -8.725 87 HB3 HIS 11 HB3 HIS 11 3.446 -8.949 -10.081 88 HD1 HIS 11 HD1 HIS 11 5.713 -10.624 -10.630 89 HD2 HIS 11 HD2 HIS 11 5.403 -8.742 -6.886 90 HE1 HIS 11 HE1 HIS 11 7.108 -11.978 -9.040 91 H LYS 12 HN LYS 12 5.577 -6.514 -12.750 92 HA LYS 12 HA LYS 12 3.537 -4.701 -13.158 93 HB2 LYS 12 HB2 LYS 12 5.662 -5.948 -14.817 94 HB3 LYS 12 HB3 LYS 12 4.335 -5.343 -15.767 95 HG2 LYS 12 HG2 LYS 12 5.705 -3.608 -13.658 96 HG3 LYS 12 HG3 LYS 12 6.298 -3.772 -15.308 97 HD2 LYS 12 HD2 LYS 12 4.995 -1.925 -15.628 98 HD3 LYS 12 HD3 LYS 12 3.821 -3.174 -15.985 99 HE2 LYS 12 HE2 LYS 12 3.367 -2.874 -13.304 100 HE3 LYS 12 HE3 LYS 12 4.023 -1.280 -13.678 101 HZ1 LYS 12 HZ1 LYS 12 1.653 -1.289 -13.952 102 HZ2 LYS 12 HZ2 LYS 12 1.725 -2.546 -15.063 103 HZ3 LYS 12 HZ3 LYS 12 2.353 -1.093 -15.418 104 H ALA 13 HN ALA 13 2.994 -8.038 -13.385 105 HA ALA 13 HA ALA 13 0.687 -7.891 -15.182 106 HB1 ALA 13 HB1 ALA 13 1.918 -9.974 -14.971 107 HB2 ALA 13 HB2 ALA 13 1.702 -9.992 -13.220 108 HB3 ALA 13 HB3 ALA 13 0.294 -10.195 -14.301 109 H SER 14 HN SER 14 0.416 -9.130 -11.781 110 HA SER 14 HA SER 14 -2.043 -7.708 -11.545 111 HB2 SER 14 HB2 SER 14 -1.505 -9.970 -10.588 112 HB3 SER 14 HB3 SER 14 -0.576 -9.146 -9.315 113 HG SER 14 HG SER 14 -2.572 -7.938 -8.946 114 H LYS 15 HN LYS 15 0.974 -6.366 -11.099 115 HA LYS 15 HA LYS 15 1.714 -4.428 -10.313 116 HB2 LYS 15 HB2 LYS 15 -1.076 -3.495 -9.622 117 HB3 LYS 15 HB3 LYS 15 0.335 -2.549 -10.081 118 HG2 LYS 15 HG2 LYS 15 0.058 -3.725 -12.441 119 HG3 LYS 15 HG3 LYS 15 -1.498 -4.273 -11.826 120 HD2 LYS 15 HD2 LYS 15 -1.483 -1.617 -11.187 121 HD3 LYS 15 HD3 LYS 15 -0.631 -1.575 -12.732 122 HE2 LYS 15 HE2 LYS 15 -3.268 -2.987 -12.287 123 HE3 LYS 15 HE3 LYS 15 -3.218 -1.262 -12.602 124 HZ1 LYS 15 HZ1 LYS 15 -3.613 -2.312 -14.609 125 HZ2 LYS 15 HZ2 LYS 15 -2.401 -3.399 -14.454 126 HZ3 LYS 15 HZ3 LYS 15 -2.053 -1.812 -14.720 127 H THR 16 HN THR 16 2.194 -6.370 -8.653 128 HA THR 16 HA THR 16 1.248 -5.603 -5.948 129 HB THR 16 HB THR 16 2.412 -8.242 -6.960 130 HG1 THR 16 HG1 THR 16 0.098 -8.820 -6.698 131 HG21 THR 16 HG21 THR 16 1.437 -9.206 -4.969 132 HG22 THR 16 HG22 THR 16 0.737 -7.641 -4.505 133 HG23 THR 16 HG23 THR 16 2.502 -7.874 -4.509 134 H LEU 17 HN LEU 17 2.762 -4.593 -4.689 135 HA LEU 17 HA LEU 17 5.643 -4.407 -5.362 136 HB2 LEU 17 HB2 LEU 17 4.418 -2.450 -4.424 137 HB3 LEU 17 HB3 LEU 17 3.977 -3.410 -3.035 138 HG LEU 17 HG LEU 17 6.729 -3.678 -2.748 139 HD11 LEU 17 HD11 LEU 17 7.937 -1.880 -3.341 140 HD12 LEU 17 HD12 LEU 17 6.518 -0.920 -3.868 141 HD13 LEU 17 HD13 LEU 17 7.023 -2.316 -4.844 142 HD21 LEU 17 HD21 LEU 17 5.092 -1.219 -1.993 143 HD22 LEU 17 HD22 LEU 17 6.609 -1.736 -1.216 144 HD23 LEU 17 HD23 LEU 17 5.156 -2.719 -1.050 145 H THR 18 HN THR 18 7.007 -6.060 -4.692 146 HA THR 18 HA THR 18 6.303 -7.482 -2.191 147 HB THR 18 HB THR 18 7.414 -8.705 -4.765 148 HG1 THR 18 HG1 THR 18 5.331 -8.002 -5.014 149 HG21 THR 18 HG21 THR 18 8.075 -9.995 -2.750 150 HG22 THR 18 HG22 THR 18 6.844 -10.874 -3.674 151 HG23 THR 18 HG23 THR 18 6.410 -10.003 -2.182 152 H LEU 19 HN LEU 19 7.642 -8.056 -0.815 153 HA LEU 19 HA LEU 19 10.377 -6.970 -1.166 154 HB2 LEU 19 HB2 LEU 19 8.319 -6.601 1.042 155 HB3 LEU 19 HB3 LEU 19 9.974 -6.251 1.312 156 HG LEU 19 HG LEU 19 9.835 -4.600 -0.727 157 HD11 LEU 19 HD11 LEU 19 8.392 -4.847 -1.956 158 HD12 LEU 19 HD12 LEU 19 7.532 -3.770 -0.793 159 HD13 LEU 19 HD13 LEU 19 7.228 -5.528 -0.758 160 HD21 LEU 19 HD21 LEU 19 8.917 -2.796 0.611 161 HD22 LEU 19 HD22 LEU 19 9.756 -3.845 1.802 162 HD23 LEU 19 HD23 LEU 19 8.000 -3.916 1.632 163 H ARG 20 HN ARG 20 11.295 -7.478 0.756 164 HA ARG 20 HA ARG 20 10.962 -10.342 1.741 165 HB2 ARG 20 HB2 ARG 20 12.633 -10.467 0.003 166 HB3 ARG 20 HB3 ARG 20 13.632 -9.233 0.781 167 HG2 ARG 20 HG2 ARG 20 14.268 -10.654 2.538 168 HG3 ARG 20 HG3 ARG 20 12.883 -11.709 2.346 169 HD2 ARG 20 HD2 ARG 20 14.630 -11.613 -0.046 170 HD3 ARG 20 HD3 ARG 20 15.472 -12.148 1.425 171 HE ARG 20 HE ARG 20 13.065 -13.399 1.513 172 HH11 ARG 20 HH11 ARG 20 15.668 -13.275 -0.861 173 HH12 ARG 20 HH12 ARG 20 15.668 -14.957 -1.280 174 HH21 ARG 20 HH21 ARG 20 12.922 -15.716 0.837 175 HH22 ARG 20 HH22 ARG 20 14.030 -16.359 -0.315 176 H TYR 21 HN TYR 21 10.001 -9.246 3.651 177 HA TYR 21 HA TYR 21 11.678 -7.665 5.385 178 HB2 TYR 21 HB2 TYR 21 9.171 -7.709 5.474 179 HB3 TYR 21 HB3 TYR 21 9.333 -9.176 6.430 180 HD1 TYR 21 HD2 TYR 21 11.781 -8.493 8.225 181 HD2 TYR 21 HD1 TYR 21 8.439 -6.063 6.936 182 HE1 TYR 21 HE2 TYR 21 12.083 -7.065 10.164 183 HE2 TYR 21 HE1 TYR 21 8.696 -4.702 9.003 184 HH TYR 21 HH TYR 21 9.656 -4.761 11.180 185 H GLY 22 HN GLY 22 13.529 -9.164 5.138 186 HA2 GLY 22 HA2 GLY 22 15.137 -9.955 6.754 187 HA3 GLY 22 HA1 GLY 22 13.819 -10.628 7.730 188 H GLU 23 HN GLU 23 12.980 -12.564 7.210 189 HA GLU 23 HA GLU 23 14.139 -14.054 4.930 190 HB2 GLU 23 HB2 GLU 23 13.790 -15.972 5.966 191 HB3 GLU 23 HB3 GLU 23 14.368 -14.906 7.252 192 HG2 GLU 23 HG2 GLU 23 12.147 -14.725 8.185 193 HG3 GLU 23 HG3 GLU 23 11.504 -15.443 6.687 194 H ASP 24 HN ASP 24 11.229 -12.558 5.957 195 HA ASP 24 HA ASP 24 9.504 -14.554 4.677 196 HB2 ASP 24 HB2 ASP 24 8.940 -12.074 6.340 197 HB3 ASP 24 HB3 ASP 24 7.684 -13.105 5.675 198 H SER 25 HN SER 25 7.725 -14.063 3.230 199 HA SER 25 HA SER 25 8.356 -11.870 1.364 200 HB2 SER 25 HB2 SER 25 6.883 -13.877 0.043 201 HB3 SER 25 HB3 SER 25 8.561 -13.452 -0.182 202 HG SER 25 HG SER 25 9.226 -15.048 1.063 203 H TYR 26 HN TYR 26 7.027 -10.301 1.613 204 HA TYR 26 HA TYR 26 4.084 -10.758 1.775 205 HB2 TYR 26 HB2 TYR 26 5.533 -8.255 2.653 206 HB3 TYR 26 HB3 TYR 26 3.907 -8.766 3.038 207 HD1 TYR 26 HD1 TYR 26 4.469 -11.632 3.900 208 HD2 TYR 26 HD2 TYR 26 6.640 -8.016 4.704 209 HE1 TYR 26 HE1 TYR 26 5.175 -12.578 6.048 210 HE2 TYR 26 HE2 TYR 26 7.228 -8.876 6.968 211 HH TYR 26 HH TYR 26 6.598 -12.191 8.007 212 H ASP 27 HN ASP 27 2.923 -10.075 0.051 213 HA ASP 27 HA ASP 27 4.240 -8.499 -2.067 214 HB2 ASP 27 HB2 ASP 27 3.398 -10.051 -3.647 215 HB3 ASP 27 HB3 ASP 27 4.301 -10.945 -2.426 216 H LEU 28 HN LEU 28 3.237 -6.619 -1.538 217 HA LEU 28 HA LEU 28 0.431 -6.675 -0.774 218 HB2 LEU 28 HB2 LEU 28 1.845 -4.082 -0.980 219 HB3 LEU 28 HB3 LEU 28 0.796 -4.686 0.287 220 HG LEU 28 HG LEU 28 3.729 -5.348 -0.155 221 HD11 LEU 28 HD11 LEU 28 4.228 -3.694 1.284 222 HD12 LEU 28 HD12 LEU 28 2.825 -4.026 2.323 223 HD13 LEU 28 HD13 LEU 28 2.624 -3.078 0.848 224 HD21 LEU 28 HD21 LEU 28 2.531 -7.291 0.965 225 HD22 LEU 28 HD22 LEU 28 2.020 -6.172 2.230 226 HD23 LEU 28 HD23 LEU 28 3.720 -6.532 2.007 227 HA PRO 29 HA PRO 29 -0.850 -5.169 -4.753 228 HB2 PRO 29 HB2 PRO 29 -3.355 -4.293 -4.250 229 HB3 PRO 29 HB3 PRO 29 -2.913 -5.992 -4.054 230 HG2 PRO 29 HG2 PRO 29 -3.055 -3.885 -1.896 231 HG3 PRO 29 HG3 PRO 29 -3.825 -5.485 -1.903 232 HD2 PRO 29 HD2 PRO 29 -1.361 -5.053 -0.670 233 HD3 PRO 29 HD3 PRO 29 -1.718 -6.574 -1.521 234 H ALA 30 HN ALA 30 -1.072 -3.222 -5.980 235 HA ALA 30 HA ALA 30 0.228 -0.847 -5.254 236 HB1 ALA 30 HB1 ALA 30 -0.960 0.117 -7.169 237 HB2 ALA 30 HB2 ALA 30 -0.256 -1.482 -7.488 238 HB3 ALA 30 HB3 ALA 30 -2.018 -1.312 -7.249 239 H GLU 31 HN GLU 31 -3.299 -1.617 -5.094 240 HA GLU 31 HA GLU 31 -4.265 0.805 -4.175 241 HB2 GLU 31 HB2 GLU 31 -6.220 -0.375 -3.438 242 HB3 GLU 31 HB3 GLU 31 -5.663 -1.082 -4.960 243 HG2 GLU 31 HG2 GLU 31 -4.431 -2.750 -3.239 244 HG3 GLU 31 HG3 GLU 31 -5.687 -2.200 -2.153 245 H PHE 32 HN PHE 32 -3.009 -1.891 -2.122 246 HA PHE 32 HA PHE 32 -3.804 -0.840 0.384 247 HB2 PHE 32 HB2 PHE 32 -3.120 -3.081 0.252 248 HB3 PHE 32 HB3 PHE 32 -1.589 -2.685 -0.514 249 HD1 PHE 32 HD1 PHE 32 -3.429 -2.458 2.764 250 HD2 PHE 32 HD2 PHE 32 0.370 -2.323 0.707 251 HE1 PHE 32 HE1 PHE 32 -2.257 -2.519 4.927 252 HE2 PHE 32 HE2 PHE 32 1.536 -2.386 2.916 253 HZ PHE 32 HZ PHE 32 0.249 -2.514 4.992 254 H LEU 33 HN LEU 33 -0.869 -0.310 -1.595 255 HA LEU 33 HA LEU 33 0.392 1.426 0.375 256 HB2 LEU 33 HB2 LEU 33 0.930 0.871 -2.563 257 HB3 LEU 33 HB3 LEU 33 1.812 2.068 -1.620 258 HG LEU 33 HG LEU 33 1.751 -0.286 0.013 259 HD11 LEU 33 HD11 LEU 33 1.261 -1.597 -2.011 260 HD12 LEU 33 HD12 LEU 33 2.859 -1.947 -1.366 261 HD13 LEU 33 HD13 LEU 33 2.689 -0.920 -2.814 262 HD21 LEU 33 HD21 LEU 33 4.035 0.874 -1.605 263 HD22 LEU 33 HD22 LEU 33 4.145 -0.120 -0.132 264 HD23 LEU 33 HD23 LEU 33 3.462 1.510 -0.054 265 H ARG 34 HN ARG 34 -1.802 2.017 -2.414 266 HA ARG 34 HA ARG 34 -1.513 4.876 -2.241 267 HB2 ARG 34 HB2 ARG 34 -2.323 3.725 -4.271 268 HB3 ARG 34 HB3 ARG 34 -3.716 3.118 -3.399 269 HG2 ARG 34 HG2 ARG 34 -4.320 4.959 -4.870 270 HG3 ARG 34 HG3 ARG 34 -4.691 5.296 -3.212 271 HD2 ARG 34 HD2 ARG 34 -3.589 7.105 -4.852 272 HD3 ARG 34 HD3 ARG 34 -3.360 7.097 -3.113 273 HE ARG 34 HE ARG 34 -1.325 5.647 -4.669 274 HH11 ARG 34 HH11 ARG 34 -2.271 8.744 -3.266 275 HH12 ARG 34 HH12 ARG 34 -0.677 9.242 -2.816 276 HH21 ARG 34 HH21 ARG 34 0.880 6.358 -4.260 277 HH22 ARG 34 HH22 ARG 34 1.177 7.823 -3.420 278 H VAL 35 HN VAL 35 -3.358 2.681 -0.218 279 HA VAL 35 HA VAL 35 -4.951 4.974 0.853 280 HB VAL 35 HB VAL 35 -6.392 3.340 1.782 281 HG11 VAL 35 HG11 VAL 35 -7.400 2.764 -0.292 282 HG12 VAL 35 HG12 VAL 35 -6.492 4.232 -0.640 283 HG13 VAL 35 HG13 VAL 35 -5.848 2.670 -1.146 284 HG21 VAL 35 HG21 VAL 35 -6.186 0.942 1.134 285 HG22 VAL 35 HG22 VAL 35 -4.544 1.251 0.601 286 HG23 VAL 35 HG23 VAL 35 -4.965 1.472 2.307 287 H HIS 36 HN HIS 36 -1.969 3.685 1.503 288 HA HIS 36 HA HIS 36 -2.112 4.956 4.159 289 HB2 HIS 36 HB2 HIS 36 -1.981 2.253 4.039 290 HB3 HIS 36 HB3 HIS 36 -0.264 2.654 3.976 291 HD1 HIS 36 HD1 HIS 36 0.371 4.621 5.993 292 HD2 HIS 36 HD2 HIS 36 -2.811 1.917 6.496 293 HE1 HIS 36 HE1 HIS 36 -0.172 4.603 8.483 294 H SER 37 HN SER 37 -1.321 5.848 1.391 295 HA SER 37 HA SER 37 1.562 6.001 1.373 296 HB2 SER 37 HB2 SER 37 0.976 7.660 -0.496 297 HB3 SER 37 HB3 SER 37 0.530 5.960 -0.736 298 HG SER 37 HG SER 37 -1.382 7.476 0.564 299 HA PRO 38 HA PRO 38 1.498 9.994 3.540 300 HB2 PRO 38 HB2 PRO 38 4.126 10.743 3.228 301 HB3 PRO 38 HB3 PRO 38 3.631 9.419 4.298 302 HG2 PRO 38 HG2 PRO 38 4.609 9.203 1.432 303 HG3 PRO 38 HG3 PRO 38 5.185 8.293 2.874 304 HD2 PRO 38 HD2 PRO 38 3.375 7.192 1.216 305 HD3 PRO 38 HD3 PRO 38 3.234 7.006 2.967 306 H SER 39 HN SER 39 2.538 12.292 2.826 307 HA SER 39 HA SER 39 2.410 12.888 -0.043 308 HB2 SER 39 HB2 SER 39 1.205 14.189 2.442 309 HB3 SER 39 HB3 SER 39 1.389 15.046 0.922 310 HG SER 39 HG SER 39 -0.687 13.961 1.370 311 H ALA 40 HN ALA 40 4.631 12.170 1.711 312 HA ALA 40 HA ALA 40 6.550 12.691 2.609 313 HB1 ALA 40 HB1 ALA 40 6.464 15.307 1.090 314 HB2 ALA 40 HB2 ALA 40 7.893 14.512 1.776 315 HB3 ALA 40 HB3 ALA 40 7.013 13.745 0.437 316 H GLU 41 HN GLU 41 4.326 15.334 2.951 317 HA GLU 41 HA GLU 41 5.594 16.259 5.400 318 HB2 GLU 41 HB2 GLU 41 3.422 17.390 3.635 319 HB3 GLU 41 HB3 GLU 41 4.165 18.286 4.973 320 HG2 GLU 41 HG2 GLU 41 5.751 17.271 2.566 321 HG3 GLU 41 HG3 GLU 41 5.034 18.857 2.681 322 H VAL 42 HN VAL 42 4.231 13.892 5.727 323 HA VAL 42 HA VAL 42 1.724 14.564 7.183 324 HB VAL 42 HB VAL 42 2.861 11.850 6.372 325 HG11 VAL 42 HG11 VAL 42 0.149 12.772 7.412 326 HG12 VAL 42 HG12 VAL 42 0.524 11.120 6.845 327 HG13 VAL 42 HG13 VAL 42 1.348 11.786 8.269 328 HG21 VAL 42 HG21 VAL 42 0.833 13.666 5.024 329 HG22 VAL 42 HG22 VAL 42 2.397 13.133 4.377 330 HG23 VAL 42 HG23 VAL 42 1.084 11.955 4.602 331 H GLN 43 HN GLN 43 4.889 13.070 7.600 332 HA GLN 43 HA GLN 43 6.255 12.758 9.360 333 HB2 GLN 43 HB2 GLN 43 4.213 13.900 11.258 334 HB3 GLN 43 HB3 GLN 43 5.948 13.761 11.481 335 HG2 GLN 43 HG2 GLN 43 6.433 15.530 9.983 336 HG3 GLN 43 HG3 GLN 43 4.865 15.452 9.171 337 HE21 GLN 43 HE21 GLN 43 2.944 15.750 10.553 338 HE22 GLN 43 HE22 GLN 43 2.950 17.112 11.668 339 H GLY 44 HN GLY 44 4.946 10.778 8.248 340 HA2 GLY 44 HA2 GLY 44 4.991 8.474 9.075 341 HA3 GLY 44 HA1 GLY 44 3.926 8.983 10.413 342 H HIS 45 HN HIS 45 1.872 9.196 10.149 343 HA HIS 45 HA HIS 45 0.623 8.321 7.589 344 HB2 HIS 45 HB2 HIS 45 -0.693 6.812 9.125 345 HB3 HIS 45 HB3 HIS 45 1.010 6.420 8.918 346 HD1 HIS 45 HD1 HIS 45 2.226 5.913 11.114 347 HD2 HIS 45 HD2 HIS 45 -0.816 8.743 11.499 348 HE1 HIS 45 HE1 HIS 45 2.169 6.562 13.582 349 H GLY 46 HN GLY 46 0.566 10.577 10.167 350 HA2 GLY 46 HA2 GLY 46 -0.715 12.415 10.451 351 HA3 GLY 46 HA1 GLY 46 -1.627 11.979 9.001 352 H ASN 47 HN ASN 47 -3.629 11.188 9.271 353 HA ASN 47 HA ASN 47 -4.595 10.711 12.052 354 HB2 ASN 47 HB2 ASN 47 -6.209 12.054 9.881 355 HB3 ASN 47 HB3 ASN 47 -6.524 12.010 11.600 356 HD21 ASN 47 HD21 ASN 47 -5.516 14.089 9.196 357 HD22 ASN 47 HD22 ASN 47 -4.581 15.208 10.206 358 HA PRO 48 HA PRO 48 -6.435 7.086 10.133 359 HB2 PRO 48 HB2 PRO 48 -8.775 6.769 11.588 360 HB3 PRO 48 HB3 PRO 48 -7.159 6.365 12.218 361 HG2 PRO 48 HG2 PRO 48 -8.765 8.877 12.688 362 HG3 PRO 48 HG3 PRO 48 -7.835 7.897 13.874 363 HD2 PRO 48 HD2 PRO 48 -6.841 10.176 12.775 364 HD3 PRO 48 HD3 PRO 48 -5.795 8.779 13.151 365 H VAL 49 HN VAL 49 -7.209 7.213 8.101 366 HA VAL 49 HA VAL 49 -9.931 8.207 7.831 367 HB VAL 49 HB VAL 49 -7.831 8.943 5.772 368 HG11 VAL 49 HG11 VAL 49 -10.061 8.665 4.832 369 HG12 VAL 49 HG12 VAL 49 -10.803 9.565 6.165 370 HG13 VAL 49 HG13 VAL 49 -9.805 10.396 4.980 371 HG21 VAL 49 HG21 VAL 49 -8.144 11.313 6.450 372 HG22 VAL 49 HG22 VAL 49 -9.064 10.765 7.877 373 HG23 VAL 49 HG23 VAL 49 -7.350 10.350 7.697 374 H LEU 50 HN LEU 50 -11.122 6.843 6.714 375 HA LEU 50 HA LEU 50 -10.034 4.403 5.537 376 HB2 LEU 50 HB2 LEU 50 -12.148 4.337 6.781 377 HB3 LEU 50 HB3 LEU 50 -12.843 5.596 5.753 378 HG LEU 50 HG LEU 50 -12.570 4.070 3.757 379 HD11 LEU 50 HD11 LEU 50 -12.275 1.608 4.375 380 HD12 LEU 50 HD12 LEU 50 -11.663 2.145 5.940 381 HD13 LEU 50 HD13 LEU 50 -10.803 2.566 4.447 382 HD21 LEU 50 HD21 LEU 50 -14.181 2.673 5.853 383 HD22 LEU 50 HD22 LEU 50 -14.579 3.106 4.156 384 HD23 LEU 50 HD23 LEU 50 -14.598 4.313 5.424 385 H GLN 51 HN GLN 51 -9.031 4.645 3.498 386 HA GLN 51 HA GLN 51 -10.098 6.739 1.711 387 HB2 GLN 51 HB2 GLN 51 -7.592 5.117 1.300 388 HB3 GLN 51 HB3 GLN 51 -8.063 6.643 0.563 389 HG2 GLN 51 HG2 GLN 51 -8.048 7.280 3.277 390 HG3 GLN 51 HG3 GLN 51 -6.766 6.072 3.181 391 HE21 GLN 51 HE21 GLN 51 -7.504 9.292 2.953 392 HE22 GLN 51 HE22 GLN 51 -6.130 9.906 2.071 393 H TYR 52 HN TYR 52 -12.046 5.689 1.171 394 HA TYR 52 HA TYR 52 -11.999 3.025 -0.047 395 HB2 TYR 52 HB2 TYR 52 -14.340 3.187 -0.121 396 HB3 TYR 52 HB3 TYR 52 -13.843 3.826 1.388 397 HD1 TYR 52 HD2 TYR 52 -13.824 6.352 1.818 398 HD2 TYR 52 HD1 TYR 52 -15.672 4.565 -1.669 399 HE1 TYR 52 HE2 TYR 52 -15.211 8.368 1.502 400 HE2 TYR 52 HE1 TYR 52 -17.089 6.568 -1.934 401 HH TYR 52 HH TYR 52 -16.811 9.451 0.170 402 H GLY 53 HN GLY 53 -13.624 3.096 -2.085 403 HA2 GLY 53 HA2 GLY 53 -13.768 3.500 -4.402 404 HA3 GLY 53 HA1 GLY 53 -13.201 5.124 -4.033 405 H LYS 54 HN LYS 54 -10.971 2.677 -3.103 406 HA LYS 54 HA LYS 54 -9.268 3.165 -5.504 407 HB2 LYS 54 HB2 LYS 54 -8.557 3.016 -2.543 408 HB3 LYS 54 HB3 LYS 54 -7.370 2.688 -3.775 409 HG2 LYS 54 HG2 LYS 54 -6.842 4.758 -3.367 410 HG3 LYS 54 HG3 LYS 54 -7.865 4.995 -4.773 411 HD2 LYS 54 HD2 LYS 54 -9.561 6.025 -3.469 412 HD3 LYS 54 HD3 LYS 54 -9.012 5.221 -1.987 413 HE2 LYS 54 HE2 LYS 54 -8.472 7.552 -1.806 414 HE3 LYS 54 HE3 LYS 54 -6.984 6.599 -1.912 415 HZ1 LYS 54 HZ1 LYS 54 -6.909 7.247 -4.308 416 HZ2 LYS 54 HZ2 LYS 54 -6.819 8.541 -3.286 417 HZ3 LYS 54 HZ3 LYS 54 -8.213 8.201 -4.067 418 H LEU 55 HN LEU 55 -11.068 0.904 -5.638 419 HA LEU 55 HA LEU 55 -9.330 -1.442 -5.083 420 HB2 LEU 55 HB2 LEU 55 -11.994 -1.116 -5.014 421 HB3 LEU 55 HB3 LEU 55 -11.873 -1.562 -6.642 422 HG LEU 55 HG LEU 55 -12.281 -3.172 -4.453 423 HD11 LEU 55 HD11 LEU 55 -12.058 -5.068 -5.901 424 HD12 LEU 55 HD12 LEU 55 -11.229 -4.059 -7.104 425 HD13 LEU 55 HD13 LEU 55 -12.942 -3.732 -6.612 426 HD21 LEU 55 HD21 LEU 55 -9.412 -3.769 -5.191 427 HD22 LEU 55 HD22 LEU 55 -10.483 -4.805 -4.245 428 HD23 LEU 55 HD23 LEU 55 -10.027 -3.253 -3.598 429 H ASN 56 HN ASN 56 -9.969 0.841 -7.606 430 HA ASN 56 HA ASN 56 -9.171 -1.003 -9.780 431 HB2 ASN 56 HB2 ASN 56 -10.886 1.300 -9.540 432 HB3 ASN 56 HB3 ASN 56 -9.612 1.702 -10.670 433 HD21 ASN 56 HD21 ASN 56 -11.996 -0.962 -9.903 434 HD22 ASN 56 HD22 ASN 56 -12.528 -1.065 -11.543 435 H VAL 57 HN VAL 57 -7.645 1.412 -7.828 436 HA VAL 57 HA VAL 57 -5.829 2.598 -9.580 437 HB VAL 57 HB VAL 57 -6.041 3.580 -7.469 438 HG11 VAL 57 HG11 VAL 57 -5.503 2.427 -5.311 439 HG12 VAL 57 HG12 VAL 57 -6.932 1.810 -6.127 440 HG13 VAL 57 HG13 VAL 57 -5.421 0.886 -6.210 441 HG21 VAL 57 HG21 VAL 57 -3.825 3.741 -6.555 442 HG22 VAL 57 HG22 VAL 57 -3.398 2.098 -7.050 443 HG23 VAL 57 HG23 VAL 57 -3.569 3.375 -8.256 444 H GLY 58 HN GLY 58 -3.809 2.210 -10.352 445 HA2 GLY 58 HA2 GLY 58 -2.593 -0.380 -9.695 446 HA3 GLY 58 HA1 GLY 58 -2.707 0.259 -11.358 447 H LEU 59 HN LEU 59 -0.402 -0.187 -11.202 448 HA LEU 59 HA LEU 59 1.213 2.088 -10.336 449 HB2 LEU 59 HB2 LEU 59 1.077 -0.333 -8.809 450 HB3 LEU 59 HB3 LEU 59 2.519 -0.508 -9.782 451 HG LEU 59 HG LEU 59 2.224 2.188 -8.630 452 HD11 LEU 59 HD11 LEU 59 2.635 1.883 -6.452 453 HD12 LEU 59 HD12 LEU 59 2.415 0.099 -6.595 454 HD13 LEU 59 HD13 LEU 59 1.067 1.229 -6.946 455 HD21 LEU 59 HD21 LEU 59 4.318 1.131 -9.651 456 HD22 LEU 59 HD22 LEU 59 4.450 0.237 -8.109 457 HD23 LEU 59 HD23 LEU 59 4.463 2.033 -8.153 458 H VAL 60 HN VAL 60 3.102 2.194 -11.258 459 HA VAL 60 HA VAL 60 2.988 1.238 -14.079 460 HB VAL 60 HB VAL 60 3.933 3.764 -14.294 461 HG11 VAL 60 HG11 VAL 60 1.973 2.814 -15.481 462 HG12 VAL 60 HG12 VAL 60 0.995 2.998 -14.011 463 HG13 VAL 60 HG13 VAL 60 1.624 4.428 -14.849 464 HG21 VAL 60 HG21 VAL 60 3.862 4.407 -12.041 465 HG22 VAL 60 HG22 VAL 60 2.584 5.278 -12.878 466 HG23 VAL 60 HG23 VAL 60 2.158 3.898 -11.844 467 H GLY 61 HN GLY 61 5.085 2.465 -11.458 468 HA2 GLY 61 HA2 GLY 61 7.331 0.873 -12.463 469 HA3 GLY 61 HA1 GLY 61 7.510 2.609 -12.759 470 H VAL 62 HN VAL 62 9.281 1.174 -11.118 471 HA VAL 62 HA VAL 62 9.012 2.652 -8.646 472 HB VAL 62 HB VAL 62 9.102 -0.399 -8.603 473 HG11 VAL 62 HG11 VAL 62 9.197 0.048 -6.036 474 HG12 VAL 62 HG12 VAL 62 10.690 0.204 -6.987 475 HG13 VAL 62 HG13 VAL 62 9.782 1.646 -6.555 476 HG21 VAL 62 HG21 VAL 62 7.154 -0.144 -7.029 477 HG22 VAL 62 HG22 VAL 62 7.100 1.545 -7.573 478 HG23 VAL 62 HG23 VAL 62 6.844 0.232 -8.727 479 H GLU 63 HN GLU 63 10.977 3.249 -7.943 480 HA GLU 63 HA GLU 63 13.473 1.934 -8.820 481 HB2 GLU 63 HB2 GLU 63 12.638 4.830 -9.274 482 HB3 GLU 63 HB3 GLU 63 14.315 4.353 -9.200 483 HG2 GLU 63 HG2 GLU 63 13.709 2.568 -10.982 484 HG3 GLU 63 HG3 GLU 63 12.249 3.521 -11.245 485 HA PRO 64 HA PRO 64 14.738 3.200 -4.656 486 HB2 PRO 64 HB2 PRO 64 17.380 3.881 -4.996 487 HB3 PRO 64 HB3 PRO 64 16.779 2.199 -5.021 488 HG2 PRO 64 HG2 PRO 64 17.384 3.974 -7.391 489 HG3 PRO 64 HG3 PRO 64 17.857 2.265 -7.111 490 HD2 PRO 64 HD2 PRO 64 15.706 2.932 -8.628 491 HD3 PRO 64 HD3 PRO 64 15.698 1.484 -7.586 492 H ALA 65 HN ALA 65 14.075 5.148 -3.751 493 HA ALA 65 HA ALA 65 14.907 7.695 -5.065 494 HB1 ALA 65 HB1 ALA 65 13.193 7.339 -2.598 495 HB2 ALA 65 HB2 ALA 65 13.664 8.850 -3.357 496 HB3 ALA 65 HB3 ALA 65 12.623 7.731 -4.231 497 H GLY 66 HN GLY 66 17.186 7.208 -4.819 498 HA2 GLY 66 HA2 GLY 66 19.087 8.185 -3.883 499 HA3 GLY 66 HA1 GLY 66 18.179 8.512 -2.392 500 H GLN 67 HN GLN 67 19.224 7.465 -0.834 501 HA GLN 67 HA GLN 67 19.886 4.585 -1.193 502 HB2 GLN 67 HB2 GLN 67 21.638 6.637 0.216 503 HB3 GLN 67 HB3 GLN 67 21.990 4.919 -0.053 504 HG2 GLN 67 HG2 GLN 67 21.852 5.358 -2.553 505 HG3 GLN 67 HG3 GLN 67 21.727 7.083 -2.197 506 HE21 GLN 67 HE21 GLN 67 23.623 7.949 -0.661 507 HE22 GLN 67 HE22 GLN 67 25.197 7.315 -1.094 508 H TYR 68 HN TYR 68 17.684 6.321 0.079 509 HA TYR 68 HA TYR 68 17.551 4.992 2.725 510 HB2 TYR 68 HB2 TYR 68 16.863 7.409 3.620 511 HB3 TYR 68 HB3 TYR 68 18.492 6.778 3.670 512 HD1 TYR 68 HD2 TYR 68 16.237 9.099 1.821 513 HD2 TYR 68 HD1 TYR 68 20.285 7.743 2.406 514 HE1 TYR 68 HE2 TYR 68 17.077 10.952 0.385 515 HE2 TYR 68 HE1 TYR 68 21.107 9.597 0.971 516 HH TYR 68 HH TYR 68 18.906 11.944 -0.563 517 H ALA 69 HN ALA 69 15.908 5.882 -0.131 518 HA ALA 69 HA ALA 69 13.351 5.276 1.112 519 HB1 ALA 69 HB1 ALA 69 13.782 7.914 -0.363 520 HB2 ALA 69 HB2 ALA 69 12.229 7.310 0.244 521 HB3 ALA 69 HB3 ALA 69 13.513 7.747 1.381 522 H LEU 70 HN LEU 70 11.654 5.742 -0.964 523 HA LEU 70 HA LEU 70 12.713 4.102 -3.190 524 HB2 LEU 70 HB2 LEU 70 11.782 2.758 -1.237 525 HB3 LEU 70 HB3 LEU 70 10.243 3.564 -1.528 526 HG LEU 70 HG LEU 70 10.165 1.373 -2.442 527 HD11 LEU 70 HD11 LEU 70 9.240 3.383 -3.752 528 HD12 LEU 70 HD12 LEU 70 9.356 1.804 -4.513 529 HD13 LEU 70 HD13 LEU 70 10.575 3.056 -4.897 530 HD21 LEU 70 HD21 LEU 70 12.676 1.994 -4.045 531 HD22 LEU 70 HD22 LEU 70 11.615 0.601 -4.316 532 HD23 LEU 70 HD23 LEU 70 12.454 0.770 -2.780 533 H LYS 71 HN LYS 71 11.903 4.857 -5.110 534 HA LYS 71 HA LYS 71 9.890 7.028 -5.192 535 HB2 LYS 71 HB2 LYS 71 12.098 7.332 -6.337 536 HB3 LYS 71 HB3 LYS 71 11.800 5.874 -7.272 537 HG2 LYS 71 HG2 LYS 71 9.772 7.001 -8.283 538 HG3 LYS 71 HG3 LYS 71 10.200 8.475 -7.377 539 HD2 LYS 71 HD2 LYS 71 12.441 8.461 -8.461 540 HD3 LYS 71 HD3 LYS 71 11.971 6.985 -9.346 541 HE2 LYS 71 HE2 LYS 71 10.254 8.213 -10.570 542 HE3 LYS 71 HE3 LYS 71 10.427 9.608 -9.505 543 HZ1 LYS 71 HZ1 LYS 71 12.646 9.964 -10.422 544 HZ2 LYS 71 HZ2 LYS 71 11.517 10.016 -11.600 545 HZ3 LYS 71 HZ3 LYS 71 12.488 8.696 -11.434 546 H LEU 72 HN LEU 72 8.012 5.829 -4.862 547 HA LEU 72 HA LEU 72 7.357 3.537 -6.647 548 HB2 LEU 72 HB2 LEU 72 6.183 4.811 -4.165 549 HB3 LEU 72 HB3 LEU 72 5.042 4.189 -5.347 550 HG LEU 72 HG LEU 72 7.304 2.391 -4.592 551 HD11 LEU 72 HD11 LEU 72 6.598 3.149 -2.389 552 HD12 LEU 72 HD12 LEU 72 6.081 1.481 -2.666 553 HD13 LEU 72 HD13 LEU 72 4.902 2.812 -2.787 554 HD21 LEU 72 HD21 LEU 72 5.841 0.680 -5.228 555 HD22 LEU 72 HD22 LEU 72 5.476 1.986 -6.328 556 HD23 LEU 72 HD23 LEU 72 4.389 1.710 -4.971 557 H SER 73 HN SER 73 5.896 3.926 -8.451 558 HA SER 73 HA SER 73 4.876 6.711 -8.755 559 HB2 SER 73 HB2 SER 73 6.073 4.888 -10.874 560 HB3 SER 73 HB3 SER 73 5.250 6.400 -11.213 561 HG SER 73 HG SER 73 7.749 6.285 -10.898 562 H PHE 74 HN PHE 74 2.610 6.616 -8.825 563 HA PHE 74 HA PHE 74 1.356 3.939 -9.149 564 HB2 PHE 74 HB2 PHE 74 0.375 6.453 -7.788 565 HB3 PHE 74 HB3 PHE 74 -0.550 4.987 -8.020 566 HD1 PHE 74 HD2 PHE 74 2.834 5.984 -6.517 567 HD2 PHE 74 HD1 PHE 74 -0.648 3.431 -6.244 568 HE1 PHE 74 HE2 PHE 74 3.455 5.382 -4.235 569 HE2 PHE 74 HE1 PHE 74 0.068 2.742 -3.994 570 HZ PHE 74 HZ PHE 74 2.096 3.765 -2.946 571 H ASP 75 HN ASP 75 -0.446 3.742 -10.373 572 HA ASP 75 HA ASP 75 -0.317 5.250 -12.874 573 HB2 ASP 75 HB2 ASP 75 -0.673 2.736 -12.596 574 HB3 ASP 75 HB3 ASP 75 -2.220 3.115 -11.894 575 H ASP 76 HN ASP 76 -2.384 4.880 -10.093 576 HA ASP 76 HA ASP 76 -4.348 6.841 -11.107 577 HB2 ASP 76 HB2 ASP 76 -4.933 4.585 -10.005 578 HB3 ASP 76 HB3 ASP 76 -4.457 5.361 -8.485 579 H GLY 77 HN GLY 77 -1.404 7.381 -9.774 580 HA2 GLY 77 HA2 GLY 77 -2.274 9.710 -8.264 581 HA3 GLY 77 HA1 GLY 77 -1.840 8.389 -7.182 582 H HIS 78 HN HIS 78 -0.567 10.650 -6.873 583 HA HIS 78 HA HIS 78 1.885 10.985 -8.243 584 HB2 HIS 78 HB2 HIS 78 2.491 12.435 -6.430 585 HB3 HIS 78 HB3 HIS 78 0.781 12.652 -6.772 586 HD1 HIS 78 HD1 HIS 78 1.655 13.654 -4.047 587 HD2 HIS 78 HD2 HIS 78 0.327 9.750 -4.845 588 HE1 HIS 78 HE1 HIS 78 0.752 12.706 -1.806 589 H ASP 79 HN ASP 79 4.051 10.768 -7.200 590 HA ASP 79 HA ASP 79 4.607 8.108 -6.254 591 HB2 ASP 79 HB2 ASP 79 6.955 8.930 -6.168 592 HB3 ASP 79 HB3 ASP 79 6.173 9.183 -7.721 593 H SER 80 HN SER 80 3.515 10.828 -4.602 594 HA SER 80 HA SER 80 3.260 11.389 -2.463 595 HB2 SER 80 HB2 SER 80 3.748 9.284 -0.781 596 HB3 SER 80 HB3 SER 80 2.257 9.710 -1.635 597 HG SER 80 HG SER 80 4.111 8.065 -2.831 598 H GLY 81 HN GLY 81 6.067 11.234 -3.679 599 HA2 GLY 81 HA2 GLY 81 7.713 12.774 -3.313 600 HA3 GLY 81 HA1 GLY 81 7.018 13.142 -1.732 601 H LEU 82 HN LEU 82 7.229 10.868 -0.306 602 HA LEU 82 HA LEU 82 9.866 9.652 -0.634 603 HB2 LEU 82 HB2 LEU 82 9.332 11.634 1.534 604 HB3 LEU 82 HB3 LEU 82 9.724 10.052 2.159 605 HG LEU 82 HG LEU 82 11.743 10.186 0.395 606 HD11 LEU 82 HD11 LEU 82 12.679 12.441 0.303 607 HD12 LEU 82 HD12 LEU 82 11.292 13.090 1.214 608 HD13 LEU 82 HD13 LEU 82 11.070 12.456 -0.437 609 HD21 LEU 82 HD21 LEU 82 11.690 11.522 3.133 610 HD22 LEU 82 HD22 LEU 82 13.153 11.051 2.252 611 HD23 LEU 82 HD23 LEU 82 12.026 9.816 2.780 612 H PHE 83 HN PHE 83 10.007 7.842 1.061 613 HA PHE 83 HA PHE 83 7.419 6.882 2.045 614 HB2 PHE 83 HB2 PHE 83 8.839 5.539 -0.190 615 HB3 PHE 83 HB3 PHE 83 8.522 4.487 1.183 616 HD1 PHE 83 HD1 PHE 83 6.177 4.328 2.145 617 HD2 PHE 83 HD2 PHE 83 7.019 6.139 -1.679 618 HE1 PHE 83 HE1 PHE 83 3.731 4.231 1.539 619 HE2 PHE 83 HE2 PHE 83 4.626 5.960 -2.279 620 HZ PHE 83 HZ PHE 83 2.982 5.040 -0.604 621 H THR 84 HN THR 84 10.857 6.114 1.673 622 HA THR 84 HA THR 84 12.537 5.842 3.051 623 HB THR 84 HB THR 84 10.931 6.349 5.530 624 HG1 THR 84 HG1 THR 84 11.364 8.631 5.050 625 HG21 THR 84 HG21 THR 84 13.356 5.816 5.731 626 HG22 THR 84 HG22 THR 84 12.987 7.467 6.236 627 HG23 THR 84 HG23 THR 84 13.735 7.183 4.653 628 H TRP 85 HN TRP 85 13.524 4.154 4.060 629 HA TRP 85 HA TRP 85 12.232 1.709 3.487 630 HB2 TRP 85 HB2 TRP 85 14.797 2.218 5.035 631 HB3 TRP 85 HB3 TRP 85 14.284 0.669 4.392 632 HD1 TRP 85 HD1 TRP 85 16.652 3.128 3.594 633 HE1 TRP 85 HE1 TRP 85 17.327 3.099 1.106 634 HE3 TRP 85 HE3 TRP 85 12.701 0.461 1.681 635 HZ2 TRP 85 HZ2 TRP 85 16.420 1.827 -1.308 636 HZ3 TRP 85 HZ3 TRP 85 12.698 -0.217 -0.679 637 HH2 TRP 85 HH2 TRP 85 14.597 0.428 -2.179 638 H ASP 86 HN ASP 86 12.556 3.353 6.682 639 HA ASP 86 HA ASP 86 12.040 0.938 8.151 640 HB2 ASP 86 HB2 ASP 86 12.678 3.785 8.659 641 HB3 ASP 86 HB3 ASP 86 11.535 3.090 9.793 642 H TYR 87 HN TYR 87 10.029 3.207 6.471 643 HA TYR 87 HA TYR 87 7.601 2.422 7.905 644 HB2 TYR 87 HB2 TYR 87 7.995 4.722 7.029 645 HB3 TYR 87 HB3 TYR 87 8.102 4.074 5.399 646 HD1 TYR 87 HD1 TYR 87 5.605 3.192 8.117 647 HD2 TYR 87 HD2 TYR 87 6.312 5.088 4.290 648 HE1 TYR 87 HE1 TYR 87 3.220 3.784 7.960 649 HE2 TYR 87 HE2 TYR 87 3.894 5.544 4.067 650 HH TYR 87 HH TYR 87 2.020 6.035 5.558 651 H LEU 88 HN LEU 88 9.161 1.913 4.715 652 HA LEU 88 HA LEU 88 7.037 0.657 3.436 653 HB2 LEU 88 HB2 LEU 88 9.991 0.755 3.069 654 HB3 LEU 88 HB3 LEU 88 9.228 -0.641 2.322 655 HG LEU 88 HG LEU 88 8.240 2.202 1.879 656 HD11 LEU 88 HD11 LEU 88 10.171 0.517 0.227 657 HD12 LEU 88 HD12 LEU 88 10.530 2.053 1.055 658 HD13 LEU 88 HD13 LEU 88 9.383 2.015 -0.303 659 HD21 LEU 88 HD21 LEU 88 7.796 -0.361 0.270 660 HD22 LEU 88 HD22 LEU 88 7.100 1.243 -0.068 661 HD23 LEU 88 HD23 LEU 88 6.617 0.359 1.368 662 H TYR 89 HN TYR 89 9.723 -1.031 5.091 663 HA TYR 89 HA TYR 89 8.523 -3.634 4.942 664 HB2 TYR 89 HB2 TYR 89 10.720 -2.344 6.521 665 HB3 TYR 89 HB3 TYR 89 10.115 -3.878 7.062 666 HD1 TYR 89 HD2 TYR 89 9.607 -5.448 4.508 667 HD2 TYR 89 HD1 TYR 89 12.798 -2.797 5.703 668 HE1 TYR 89 HE2 TYR 89 11.121 -6.589 2.987 669 HE2 TYR 89 HE1 TYR 89 14.375 -4.165 4.306 670 HH TYR 89 HH TYR 89 14.639 -6.205 3.417 671 H GLU 90 HN GLU 90 8.022 -0.973 7.289 672 HA GLU 90 HA GLU 90 6.869 -2.610 9.293 673 HB2 GLU 90 HB2 GLU 90 7.563 -0.106 9.361 674 HB3 GLU 90 HB3 GLU 90 6.006 0.244 8.609 675 HG2 GLU 90 HG2 GLU 90 5.754 0.516 10.952 676 HG3 GLU 90 HG3 GLU 90 4.867 -0.938 10.490 677 H LEU 91 HN LEU 91 5.344 -0.741 6.639 678 HA LEU 91 HA LEU 91 2.729 -1.872 6.987 679 HB2 LEU 91 HB2 LEU 91 4.028 -0.687 4.520 680 HB3 LEU 91 HB3 LEU 91 2.301 -0.981 4.723 681 HG LEU 91 HG LEU 91 3.969 0.952 6.395 682 HD11 LEU 91 HD11 LEU 91 2.473 1.251 3.836 683 HD12 LEU 91 HD12 LEU 91 3.946 2.052 4.470 684 HD13 LEU 91 HD13 LEU 91 2.346 2.574 4.999 685 HD21 LEU 91 HD21 LEU 91 2.313 1.006 7.853 686 HD22 LEU 91 HD22 LEU 91 1.316 -0.096 6.880 687 HD23 LEU 91 HD23 LEU 91 1.223 1.634 6.602 688 H ALA 92 HN ALA 92 5.591 -3.066 5.214 689 HA ALA 92 HA ALA 92 4.395 -5.110 3.699 690 HB1 ALA 92 HB1 ALA 92 7.117 -5.440 5.072 691 HB2 ALA 92 HB2 ALA 92 6.559 -6.161 3.608 692 HB3 ALA 92 HB3 ALA 92 6.848 -4.424 3.630 693 H THR 93 HN THR 93 5.573 -5.271 7.113 694 HA THR 93 HA THR 93 4.726 -8.089 7.247 695 HB THR 93 HB THR 93 6.786 -7.457 8.307 696 HG1 THR 93 HG1 THR 93 5.545 -7.974 10.623 697 HG21 THR 93 HG21 THR 93 6.982 -6.129 10.237 698 HG22 THR 93 HG22 THR 93 5.241 -5.740 10.221 699 HG23 THR 93 HG23 THR 93 6.314 -5.183 8.914 700 H ARG 94 HN ARG 94 3.375 -4.982 8.014 701 HA ARG 94 HA ARG 94 1.329 -6.082 9.810 702 HB2 ARG 94 HB2 ARG 94 1.822 -3.333 8.587 703 HB3 ARG 94 HB3 ARG 94 0.613 -3.662 9.822 704 HG2 ARG 94 HG2 ARG 94 3.515 -4.343 10.402 705 HG3 ARG 94 HG3 ARG 94 2.992 -2.694 10.439 706 HD2 ARG 94 HD2 ARG 94 2.699 -3.451 12.668 707 HD3 ARG 94 HD3 ARG 94 1.069 -3.546 12.012 708 HE ARG 94 HE ARG 94 2.529 -6.004 11.618 709 HH11 ARG 94 HH11 ARG 94 1.038 -4.116 14.204 710 HH12 ARG 94 HH12 ARG 94 0.754 -5.480 15.240 711 HH21 ARG 94 HH21 ARG 94 1.995 -7.820 12.868 712 HH22 ARG 94 HH22 ARG 94 1.423 -7.699 14.472 713 H LYS 95 HN LYS 95 1.559 -5.635 6.393 714 HA LYS 95 HA LYS 95 -0.676 -4.507 5.587 715 HB2 LYS 95 HB2 LYS 95 1.039 -5.450 4.062 716 HB3 LYS 95 HB3 LYS 95 0.515 -7.082 4.445 717 HG2 LYS 95 HG2 LYS 95 -1.843 -5.951 3.481 718 HG3 LYS 95 HG3 LYS 95 -0.615 -5.109 2.601 719 HD2 LYS 95 HD2 LYS 95 -1.324 -6.918 1.262 720 HD3 LYS 95 HD3 LYS 95 0.273 -7.390 1.808 721 HE2 LYS 95 HE2 LYS 95 -2.000 -8.208 3.541 722 HE3 LYS 95 HE3 LYS 95 -2.015 -8.914 1.949 723 HZ1 LYS 95 HZ1 LYS 95 -0.776 -10.308 3.552 724 HZ2 LYS 95 HZ2 LYS 95 0.346 -9.173 3.753 725 HZ3 LYS 95 HZ3 LYS 95 0.137 -9.875 2.277 726 H ASP 96 HN ASP 96 -0.708 -8.050 6.134 727 HA ASP 96 HA ASP 96 -3.332 -8.558 5.456 728 HB2 ASP 96 HB2 ASP 96 -1.106 -9.797 6.952 729 HB3 ASP 96 HB3 ASP 96 -2.648 -10.316 7.504 730 H GLN 97 HN GLN 97 -2.019 -7.395 8.583 731 HA GLN 97 HA GLN 97 -4.487 -7.809 10.030 732 HB2 GLN 97 HB2 GLN 97 -2.325 -7.863 11.166 733 HB3 GLN 97 HB3 GLN 97 -1.934 -6.242 10.610 734 HG2 GLN 97 HG2 GLN 97 -2.593 -6.123 12.924 735 HG3 GLN 97 HG3 GLN 97 -3.815 -5.317 11.967 736 HE21 GLN 97 HE21 GLN 97 -5.914 -6.241 11.821 737 HE22 GLN 97 HE22 GLN 97 -6.422 -7.460 12.965 738 H LEU 98 HN LEU 98 -2.755 -5.040 8.625 739 HA LEU 98 HA LEU 98 -4.602 -2.987 9.336 740 HB2 LEU 98 HB2 LEU 98 -2.788 -3.165 6.885 741 HB3 LEU 98 HB3 LEU 98 -3.491 -1.702 7.495 742 HG LEU 98 HG LEU 98 -1.406 -3.401 8.880 743 HD11 LEU 98 HD11 LEU 98 0.073 -1.545 8.570 744 HD12 LEU 98 HD12 LEU 98 -1.236 -0.555 7.870 745 HD13 LEU 98 HD13 LEU 98 -0.622 -1.983 7.012 746 HD21 LEU 98 HD21 LEU 98 -1.300 -1.691 10.625 747 HD22 LEU 98 HD22 LEU 98 -2.827 -2.563 10.617 748 HD23 LEU 98 HD23 LEU 98 -2.752 -0.916 9.926 749 H TRP 99 HN TRP 99 -4.368 -5.088 6.492 750 HA TRP 99 HA TRP 99 -6.363 -3.892 4.931 751 HB2 TRP 99 HB2 TRP 99 -4.647 -5.590 4.234 752 HB3 TRP 99 HB3 TRP 99 -5.575 -6.832 5.062 753 HD1 TRP 99 HD1 TRP 99 -6.913 -8.173 3.376 754 HE1 TRP 99 HE1 TRP 99 -7.856 -7.836 1.055 755 HE3 TRP 99 HE3 TRP 99 -6.046 -3.132 2.917 756 HZ2 TRP 99 HZ2 TRP 99 -8.368 -5.608 -0.735 757 HZ3 TRP 99 HZ3 TRP 99 -6.796 -1.935 0.893 758 HH2 TRP 99 HH2 TRP 99 -7.940 -3.135 -0.919 759 H ALA 100 HN ALA 100 -6.670 -6.761 7.134 760 HA ALA 100 HA ALA 100 -9.498 -6.913 6.847 761 HB1 ALA 100 HB1 ALA 100 -7.690 -7.737 9.184 762 HB2 ALA 100 HB2 ALA 100 -9.364 -8.285 8.929 763 HB3 ALA 100 HB3 ALA 100 -8.107 -8.742 7.769 764 H ASP 101 HN ASP 101 -7.512 -4.728 8.833 765 HA ASP 101 HA ASP 101 -9.669 -3.849 10.561 766 HB2 ASP 101 HB2 ASP 101 -6.891 -3.483 10.505 767 HB3 ASP 101 HB3 ASP 101 -7.494 -1.897 10.038 768 H TYR 102 HN TYR 102 -8.115 -2.408 7.605 769 HA TYR 102 HA TYR 102 -10.039 -0.323 7.398 770 HB2 TYR 102 HB2 TYR 102 -7.862 -1.512 5.692 771 HB3 TYR 102 HB3 TYR 102 -9.094 -0.601 4.863 772 HD1 TYR 102 HD2 TYR 102 -9.582 1.656 6.928 773 HD2 TYR 102 HD1 TYR 102 -5.953 -0.092 5.335 774 HE1 TYR 102 HE2 TYR 102 -8.496 3.819 7.062 775 HE2 TYR 102 HE1 TYR 102 -4.911 2.159 5.317 776 HH TYR 102 HH TYR 102 -6.781 5.093 6.156 777 H LEU 103 HN LEU 103 -10.098 -3.648 6.220 778 HA LEU 103 HA LEU 103 -12.306 -3.353 4.383 779 HB2 LEU 103 HB2 LEU 103 -11.162 -5.644 5.971 780 HB3 LEU 103 HB3 LEU 103 -12.781 -5.778 5.259 781 HG LEU 103 HG LEU 103 -12.040 -5.765 3.111 782 HD11 LEU 103 HD11 LEU 103 -9.958 -5.045 2.123 783 HD12 LEU 103 HD12 LEU 103 -9.238 -4.763 3.680 784 HD13 LEU 103 HD13 LEU 103 -10.526 -3.708 3.122 785 HD21 LEU 103 HD21 LEU 103 -10.179 -7.351 2.871 786 HD22 LEU 103 HD22 LEU 103 -11.286 -7.789 4.202 787 HD23 LEU 103 HD23 LEU 103 -9.720 -7.035 4.552 788 H ALA 104 HN ALA 104 -12.157 -4.042 7.901 789 HA ALA 104 HA ALA 104 -14.978 -4.235 8.254 790 HB1 ALA 104 HB1 ALA 104 -13.345 -4.996 9.947 791 HB2 ALA 104 HB2 ALA 104 -12.898 -3.303 10.282 792 HB3 ALA 104 HB3 ALA 104 -14.537 -3.871 10.628 793 H GLU 105 HN GLU 105 -12.734 -1.367 8.612 794 HA GLU 105 HA GLU 105 -14.756 0.490 9.081 795 HB2 GLU 105 HB2 GLU 105 -12.071 0.704 7.655 796 HB3 GLU 105 HB3 GLU 105 -13.178 2.079 7.763 797 HG2 GLU 105 HG2 GLU 105 -13.250 1.633 10.272 798 HG3 GLU 105 HG3 GLU 105 -11.802 0.668 10.024 799 H LEU 106 HN LEU 106 -13.725 -0.754 5.765 800 HA LEU 106 HA LEU 106 -15.286 1.211 4.451 801 HB2 LEU 106 HB2 LEU 106 -13.364 0.030 3.513 802 HB3 LEU 106 HB3 LEU 106 -14.174 -1.505 3.649 803 HG LEU 106 HG LEU 106 -14.031 -0.367 1.327 804 HD11 LEU 106 HD11 LEU 106 -16.869 -1.026 2.144 805 HD12 LEU 106 HD12 LEU 106 -15.610 -2.246 2.186 806 HD13 LEU 106 HD13 LEU 106 -16.015 -1.440 0.649 807 HD21 LEU 106 HD21 LEU 106 -14.582 1.869 2.164 808 HD22 LEU 106 HD22 LEU 106 -16.274 1.350 2.340 809 HD23 LEU 106 HD23 LEU 106 -15.490 1.349 0.747 810 H ALA 107 HN ALA 107 -15.847 -2.026 5.573 811 HA ALA 107 HA ALA 107 -18.422 -2.488 4.448 812 HB1 ALA 107 HB1 ALA 107 -16.773 -4.162 5.513 813 HB2 ALA 107 HB2 ALA 107 -17.315 -3.572 7.079 814 HB3 ALA 107 HB3 ALA 107 -18.486 -4.337 5.986 815 H SER 108 HN SER 108 -17.373 -1.203 7.630 816 HA SER 108 HA SER 108 -19.935 -0.648 8.631 817 HB2 SER 108 HB2 SER 108 -17.635 -0.933 9.809 818 HB3 SER 108 HB3 SER 108 -17.424 0.805 9.511 819 HG SER 108 HG SER 108 -19.353 -0.632 10.982 820 H ALA 109 HN ALA 109 -17.628 1.470 6.912 821 HA ALA 109 HA ALA 109 -19.051 3.910 7.277 822 HB1 ALA 109 HB1 ALA 109 -16.654 3.813 6.636 823 HB2 ALA 109 HB2 ALA 109 -17.106 3.096 5.074 824 HB3 ALA 109 HB3 ALA 109 -17.594 4.755 5.475 825 H GLY 110 HN GLY 110 -19.755 1.144 5.302 826 HA2 GLY 110 HA2 GLY 110 -21.426 0.741 3.788 827 HA3 GLY 110 HA1 GLY 110 -22.165 2.283 4.257 828 H LYS 111 HN LYS 111 -18.852 2.009 3.058 829 HA LYS 111 HA LYS 111 -19.649 3.315 0.498 830 HB2 LYS 111 HB2 LYS 111 -16.866 3.446 1.729 831 HB3 LYS 111 HB3 LYS 111 -17.474 4.279 0.326 832 HG2 LYS 111 HG2 LYS 111 -18.212 4.886 3.196 833 HG3 LYS 111 HG3 LYS 111 -17.236 5.854 2.081 834 HD2 LYS 111 HD2 LYS 111 -19.264 6.009 0.570 835 HD3 LYS 111 HD3 LYS 111 -20.203 5.264 1.881 836 HE2 LYS 111 HE2 LYS 111 -19.217 7.149 3.383 837 HE3 LYS 111 HE3 LYS 111 -18.738 7.926 1.871 838 HZ1 LYS 111 HZ1 LYS 111 -20.925 8.710 2.556 839 HZ2 LYS 111 HZ2 LYS 111 -21.518 7.175 2.560 840 HZ3 LYS 111 HZ3 LYS 111 -21.024 7.868 1.156 841 H SER 112 HN SER 112 -17.657 2.707 -1.055 842 HA SER 112 HA SER 112 -17.305 -0.258 -0.891 843 HB2 SER 112 HB2 SER 112 -17.960 1.435 -3.309 844 HB3 SER 112 HB3 SER 112 -17.884 -0.335 -3.191 845 HG SER 112 HG SER 112 -19.918 1.407 -2.473 846 H ARG 113 HN ARG 113 -15.449 -1.069 -1.718 847 HA ARG 113 HA ARG 113 -13.155 0.672 -2.093 848 HB2 ARG 113 HB2 ARG 113 -13.601 -2.282 -2.765 849 HB3 ARG 113 HB3 ARG 113 -12.075 -1.431 -2.977 850 HG2 ARG 113 HG2 ARG 113 -12.506 -0.804 -0.396 851 HG3 ARG 113 HG3 ARG 113 -13.392 -2.330 -0.441 852 HD2 ARG 113 HD2 ARG 113 -10.855 -2.680 -1.832 853 HD3 ARG 113 HD3 ARG 113 -10.532 -1.834 -0.345 854 HE ARG 113 HE ARG 113 -10.725 -3.723 0.705 855 HH11 ARG 113 HH11 ARG 113 -12.529 -4.279 -2.300 856 HH12 ARG 113 HH12 ARG 113 -12.994 -5.901 -1.893 857 HH21 ARG 113 HH21 ARG 113 -11.426 -5.860 1.273 858 HH22 ARG 113 HH22 ARG 113 -12.152 -6.878 0.078 859 H ASP 114 HN ASP 114 -15.396 -1.037 -4.285 860 HA ASP 114 HA ASP 114 -14.019 -0.588 -6.764 861 HB2 ASP 114 HB2 ASP 114 -16.549 -1.665 -5.763 862 HB3 ASP 114 HB3 ASP 114 -16.781 -0.809 -7.272 863 HA PRO 115 HA PRO 115 -14.511 3.534 -7.389 864 HB2 PRO 115 HB2 PRO 115 -14.559 3.846 -10.108 865 HB3 PRO 115 HB3 PRO 115 -13.149 3.199 -9.197 866 HG2 PRO 115 HG2 PRO 115 -15.392 1.633 -10.553 867 HG3 PRO 115 HG3 PRO 115 -13.637 1.445 -10.822 868 HD2 PRO 115 HD2 PRO 115 -14.954 -0.119 -9.095 869 HD3 PRO 115 HD3 PRO 115 -13.350 0.510 -8.640 870 H ASP 116 HN ASP 116 -17.131 1.774 -9.021 871 HA ASP 116 HA ASP 116 -18.966 3.868 -8.081 872 HB2 ASP 116 HB2 ASP 116 -18.258 4.400 -10.514 873 HB3 ASP 116 HB3 ASP 116 -19.298 3.046 -10.963 874 H GLU 117 HN GLU 117 -18.654 1.714 -6.786 875 HA GLU 117 HA GLU 117 -19.608 -0.706 -7.632 876 HB2 GLU 117 HB2 GLU 117 -18.245 0.190 -5.579 877 HB3 GLU 117 HB3 GLU 117 -19.813 0.398 -4.809 878 HG2 GLU 117 HG2 GLU 117 -19.128 -2.259 -6.084 879 HG3 GLU 117 HG3 GLU 117 -18.309 -1.775 -4.632 880 H SER 118 HN SER 118 -21.588 -1.492 -7.926 881 HA SER 118 HA SER 118 -23.936 0.168 -7.176 882 HB2 SER 118 HB2 SER 118 -22.994 -0.621 -9.952 883 HB3 SER 118 HB3 SER 118 -24.651 -0.094 -9.596 884 HG SER 118 HG SER 118 -22.257 1.398 -9.321 885 H VAL 119 HN VAL 119 -23.063 -2.485 -6.125 886 HA VAL 119 HA VAL 119 -25.638 -3.852 -6.633 887 HB VAL 119 HB VAL 119 -23.064 -5.459 -6.638 888 HG11 VAL 119 HG11 VAL 119 -25.067 -6.703 -6.080 889 HG12 VAL 119 HG12 VAL 119 -25.923 -6.036 -7.515 890 HG13 VAL 119 HG13 VAL 119 -24.551 -7.129 -7.709 891 HG21 VAL 119 HG21 VAL 119 -24.609 -4.486 -9.083 892 HG22 VAL 119 HG22 VAL 119 -22.957 -4.006 -8.626 893 HG23 VAL 119 HG23 VAL 119 -23.279 -5.671 -9.072 894 H VAL 120 HN VAL 120 -26.302 -3.066 -4.636 895 HA VAL 120 HA VAL 120 -25.109 -3.545 -2.129 896 HB VAL 120 HB VAL 120 -27.644 -3.450 -1.445 897 HG11 VAL 120 HG11 VAL 120 -26.246 -1.096 -2.766 898 HG12 VAL 120 HG12 VAL 120 -27.635 -0.989 -1.665 899 HG13 VAL 120 HG13 VAL 120 -26.094 -1.627 -1.076 900 HG21 VAL 120 HG21 VAL 120 -27.919 -2.299 -4.269 901 HG22 VAL 120 HG22 VAL 120 -28.593 -3.867 -3.753 902 HG23 VAL 120 HG23 VAL 120 -29.145 -2.369 -3.005 903 H LYS 121 HN LYS 121 -24.305 -5.572 -1.806 904 HA LYS 121 HA LYS 121 -26.407 -7.516 -1.077 905 HB2 LYS 121 HB2 LYS 121 -24.008 -8.340 -2.766 906 HB3 LYS 121 HB3 LYS 121 -24.923 -9.444 -1.734 907 HG2 LYS 121 HG2 LYS 121 -27.014 -8.747 -3.060 908 HG3 LYS 121 HG3 LYS 121 -25.882 -8.015 -4.223 909 HD2 LYS 121 HD2 LYS 121 -24.671 -10.235 -4.281 910 HD3 LYS 121 HD3 LYS 121 -25.951 -10.934 -3.301 911 HE2 LYS 121 HE2 LYS 121 -26.267 -9.729 -6.093 912 HE3 LYS 121 HE3 LYS 121 -26.143 -11.442 -5.704 913 HZ1 LYS 121 HZ1 LYS 121 -28.411 -9.670 -5.301 914 HZ2 LYS 121 HZ2 LYS 121 -28.190 -10.930 -4.228 915 HZ3 LYS 121 HZ3 LYS 121 -28.325 -11.232 -5.831 916 H LEU 122 HN LEU 122 -22.859 -7.869 -1.104 917 HA LEU 122 HA LEU 122 -22.487 -7.474 1.735 918 HB2 LEU 122 HB2 LEU 122 -23.274 -10.077 0.663 919 HB3 LEU 122 HB3 LEU 122 -21.605 -10.190 1.179 920 HG LEU 122 HG LEU 122 -23.671 -8.917 2.988 921 HD11 LEU 122 HD11 LEU 122 -24.522 -11.183 2.274 922 HD12 LEU 122 HD12 LEU 122 -24.217 -10.995 4.009 923 HD13 LEU 122 HD13 LEU 122 -23.069 -11.888 3.017 924 HD21 LEU 122 HD21 LEU 122 -21.096 -10.486 3.527 925 HD22 LEU 122 HD22 LEU 122 -22.129 -9.728 4.751 926 HD23 LEU 122 HD23 LEU 122 -21.295 -8.728 3.574 927 H MET 123 HN MET 123 -20.008 -8.144 2.191 928 HA MET 123 HA MET 123 -18.360 -8.322 -0.248 929 HB2 MET 123 HB2 MET 123 -18.718 -5.877 0.412 930 HB3 MET 123 HB3 MET 123 -17.788 -6.216 1.873 931 HG2 MET 123 HG2 MET 123 -15.839 -6.842 0.480 932 HG3 MET 123 HG3 MET 123 -16.795 -6.645 -0.981 933 HE1 MET 123 HE1 MET 123 -16.838 -2.997 -1.772 934 HE2 MET 123 HE2 MET 123 -16.378 -4.574 -2.459 935 HE3 MET 123 HE3 MET 123 -17.936 -4.385 -1.636 936 H LEU 124 HN LEU 124 -19.164 -10.123 1.982 937 HA LEU 124 HA LEU 124 -18.415 -11.571 3.514 938 HB2 LEU 124 HB2 LEU 124 -15.995 -11.295 1.977 939 HB3 LEU 124 HB3 LEU 124 -15.572 -11.138 3.671 940 HG LEU 124 HG LEU 124 -16.707 -13.314 4.159 941 HD11 LEU 124 HD11 LEU 124 -16.986 -13.343 1.147 942 HD12 LEU 124 HD12 LEU 124 -18.273 -13.477 2.393 943 HD13 LEU 124 HD13 LEU 124 -17.092 -14.791 2.181 944 HD21 LEU 124 HD21 LEU 124 -14.283 -13.096 3.748 945 HD22 LEU 124 HD22 LEU 124 -14.552 -13.416 2.018 946 HD23 LEU 124 HD23 LEU 124 -14.919 -14.666 3.244 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 22.286 -3.026 11.654 2 HA2 GLY 1 HA2 GLY 1 21.936 -1.421 9.847 3 HA3 GLY 1 HA1 GLY 1 21.959 -3.082 9.233 4 H MET 2 HN MET 2 20.733 -0.972 7.825 5 HA MET 2 HA MET 2 17.998 -0.668 8.557 6 HB2 MET 2 HB2 MET 2 19.661 0.216 6.196 7 HB3 MET 2 HB3 MET 2 17.903 0.343 6.123 8 HG2 MET 2 HG2 MET 2 18.852 2.430 6.915 9 HG3 MET 2 HG3 MET 2 17.798 1.676 8.098 10 HE1 MET 2 HE1 MET 2 21.168 3.097 7.272 11 HE2 MET 2 HE2 MET 2 22.276 2.533 8.546 12 HE3 MET 2 HE3 MET 2 21.792 1.434 7.233 13 H ARG 3 HN ARG 3 16.161 -1.152 7.534 14 HA ARG 3 HA ARG 3 15.891 -3.866 6.478 15 HB2 ARG 3 HB2 ARG 3 14.158 -1.691 7.688 16 HB3 ARG 3 HB3 ARG 3 13.364 -2.891 6.729 17 HG2 ARG 3 HG2 ARG 3 15.263 -3.907 8.833 18 HG3 ARG 3 HG3 ARG 3 13.713 -3.214 9.306 19 HD2 ARG 3 HD2 ARG 3 12.471 -4.717 7.937 20 HD3 ARG 3 HD3 ARG 3 13.913 -5.468 7.272 21 HE ARG 3 HE ARG 3 12.638 -5.858 9.862 22 HH11 ARG 3 HH11 ARG 3 15.725 -6.326 8.199 23 HH12 ARG 3 HH12 ARG 3 16.194 -7.706 9.097 24 HH21 ARG 3 HH21 ARG 3 13.106 -7.758 10.952 25 HH22 ARG 3 HH22 ARG 3 14.579 -8.639 10.647 26 H ILE 4 HN ILE 4 17.221 -2.903 4.554 27 HA ILE 4 HA ILE 4 15.434 -1.631 2.537 28 HB ILE 4 HB ILE 4 18.330 -2.477 2.365 29 HG12 ILE 4 HG12 ILE 4 17.613 0.424 2.385 30 HG13 ILE 4 HG13 ILE 4 17.416 -0.351 3.907 31 HG21 ILE 4 HG21 ILE 4 18.340 -0.991 0.329 32 HG22 ILE 4 HG22 ILE 4 17.287 -2.398 0.164 33 HG23 ILE 4 HG23 ILE 4 16.569 -0.822 0.513 34 HD11 ILE 4 HD11 ILE 4 19.659 0.588 3.650 35 HD12 ILE 4 HD12 ILE 4 19.699 -1.174 3.874 36 HD13 ILE 4 HD13 ILE 4 19.975 -0.483 2.259 37 HA PRO 5 HA PRO 5 14.903 -6.050 1.302 38 HB2 PRO 5 HB2 PRO 5 13.137 -5.667 -0.812 39 HB3 PRO 5 HB3 PRO 5 12.566 -5.823 0.872 40 HG2 PRO 5 HG2 PRO 5 13.196 -3.366 -0.665 41 HG3 PRO 5 HG3 PRO 5 11.690 -3.670 0.239 42 HD2 PRO 5 HD2 PRO 5 13.831 -2.151 1.147 43 HD3 PRO 5 HD3 PRO 5 13.026 -3.240 2.310 44 H SER 6 HN SER 6 15.961 -7.157 -0.275 45 HA SER 6 HA SER 6 17.407 -5.490 -2.271 46 HB2 SER 6 HB2 SER 6 17.975 -8.188 -1.098 47 HB3 SER 6 HB3 SER 6 18.520 -7.782 -2.747 48 HG SER 6 HG SER 6 19.140 -6.475 -0.298 49 H ALA 7 HN ALA 7 14.686 -7.800 -1.871 50 HA ALA 7 HA ALA 7 14.521 -7.965 -4.840 51 HB1 ALA 7 HB1 ALA 7 14.305 -10.081 -3.503 52 HB2 ALA 7 HB2 ALA 7 12.837 -9.419 -2.763 53 HB3 ALA 7 HB3 ALA 7 12.921 -9.716 -4.522 54 H ILE 8 HN ILE 8 13.718 -6.138 -5.574 55 HA ILE 8 HA ILE 8 11.074 -5.272 -4.543 56 HB ILE 8 HB ILE 8 13.067 -3.654 -6.171 57 HG12 ILE 8 HG12 ILE 8 13.693 -3.599 -3.829 58 HG13 ILE 8 HG13 ILE 8 13.136 -2.038 -4.409 59 HG21 ILE 8 HG21 ILE 8 10.900 -3.137 -7.065 60 HG22 ILE 8 HG22 ILE 8 10.202 -2.974 -5.453 61 HG23 ILE 8 HG23 ILE 8 11.391 -1.790 -6.031 62 HD11 ILE 8 HD11 ILE 8 11.645 -3.988 -2.634 63 HD12 ILE 8 HD12 ILE 8 12.205 -2.325 -2.258 64 HD13 ILE 8 HD13 ILE 8 10.866 -2.564 -3.372 65 H GLN 9 HN GLN 9 10.225 -7.060 -5.617 66 HA GLN 9 HA GLN 9 10.312 -7.056 -8.605 67 HB2 GLN 9 HB2 GLN 9 9.164 -9.077 -6.660 68 HB3 GLN 9 HB3 GLN 9 8.537 -8.896 -8.298 69 HG2 GLN 9 HG2 GLN 9 10.866 -9.015 -9.139 70 HG3 GLN 9 HG3 GLN 9 11.353 -9.594 -7.529 71 HE21 GLN 9 HE21 GLN 9 9.618 -11.554 -6.808 72 HE22 GLN 9 HE22 GLN 9 9.472 -12.759 -8.035 73 H LEU 10 HN LEU 10 9.433 -5.166 -8.970 74 HA LEU 10 HA LEU 10 6.888 -4.342 -7.790 75 HB2 LEU 10 HB2 LEU 10 6.991 -2.440 -9.098 76 HB3 LEU 10 HB3 LEU 10 8.664 -2.772 -8.679 77 HG LEU 10 HG LEU 10 7.282 -3.241 -11.369 78 HD11 LEU 10 HD11 LEU 10 8.878 -1.536 -12.159 79 HD12 LEU 10 HD12 LEU 10 9.499 -1.331 -10.520 80 HD13 LEU 10 HD13 LEU 10 7.813 -0.900 -10.872 81 HD21 LEU 10 HD21 LEU 10 8.942 -5.033 -11.132 82 HD22 LEU 10 HD22 LEU 10 10.177 -3.854 -10.597 83 HD23 LEU 10 HD23 LEU 10 9.529 -3.820 -12.248 84 H HIS 11 HN HIS 11 7.594 -6.762 -9.890 85 HA HIS 11 HA HIS 11 6.642 -7.868 -11.623 86 HB2 HIS 11 HB2 HIS 11 4.329 -7.498 -9.683 87 HB3 HIS 11 HB3 HIS 11 4.246 -8.494 -11.122 88 HD1 HIS 11 HD1 HIS 11 5.644 -10.773 -11.170 89 HD2 HIS 11 HD2 HIS 11 5.980 -8.452 -7.660 90 HE1 HIS 11 HE1 HIS 11 6.726 -12.243 -9.395 91 H LYS 12 HN LYS 12 7.087 -6.117 -13.254 92 HA LYS 12 HA LYS 12 5.212 -4.050 -13.564 93 HB2 LYS 12 HB2 LYS 12 7.744 -4.730 -14.575 94 HB3 LYS 12 HB3 LYS 12 6.735 -4.603 -16.010 95 HG2 LYS 12 HG2 LYS 12 7.019 -2.487 -13.824 96 HG3 LYS 12 HG3 LYS 12 7.917 -2.552 -15.329 97 HD2 LYS 12 HD2 LYS 12 5.517 -2.520 -16.470 98 HD3 LYS 12 HD3 LYS 12 5.006 -1.870 -14.895 99 HE2 LYS 12 HE2 LYS 12 5.514 0.070 -16.005 100 HE3 LYS 12 HE3 LYS 12 7.037 -0.224 -15.202 101 HZ1 LYS 12 HZ1 LYS 12 6.587 -1.158 -17.949 102 HZ2 LYS 12 HZ2 LYS 12 8.026 -0.914 -17.176 103 HZ3 LYS 12 HZ3 LYS 12 7.133 0.364 -17.599 104 H ALA 13 HN ALA 13 4.749 -7.277 -14.508 105 HA ALA 13 HA ALA 13 2.690 -6.596 -16.555 106 HB1 ALA 13 HB1 ALA 13 2.641 -9.113 -16.768 107 HB2 ALA 13 HB2 ALA 13 4.190 -8.358 -17.203 108 HB3 ALA 13 HB3 ALA 13 3.989 -9.203 -15.643 109 H SER 14 HN SER 14 2.959 -7.293 -13.171 110 HA SER 14 HA SER 14 0.156 -8.289 -12.992 111 HB2 SER 14 HB2 SER 14 2.205 -9.318 -11.111 112 HB3 SER 14 HB3 SER 14 0.799 -10.124 -11.815 113 HG SER 14 HG SER 14 1.992 -10.518 -13.663 114 H LYS 15 HN LYS 15 2.272 -5.889 -12.064 115 HA LYS 15 HA LYS 15 2.074 -4.093 -10.897 116 HB2 LYS 15 HB2 LYS 15 -0.906 -4.500 -10.597 117 HB3 LYS 15 HB3 LYS 15 0.052 -3.041 -10.926 118 HG2 LYS 15 HG2 LYS 15 0.649 -4.223 -13.186 119 HG3 LYS 15 HG3 LYS 15 -0.494 -5.458 -12.778 120 HD2 LYS 15 HD2 LYS 15 -1.109 -2.630 -13.597 121 HD3 LYS 15 HD3 LYS 15 -1.253 -4.088 -14.507 122 HE2 LYS 15 HE2 LYS 15 -2.570 -4.590 -12.096 123 HE3 LYS 15 HE3 LYS 15 -3.162 -2.998 -12.583 124 HZ1 LYS 15 HZ1 LYS 15 -3.706 -4.019 -14.768 125 HZ2 LYS 15 HZ2 LYS 15 -4.565 -4.615 -13.491 126 HZ3 LYS 15 HZ3 LYS 15 -3.315 -5.490 -14.133 127 H THR 16 HN THR 16 2.912 -6.198 -9.341 128 HA THR 16 HA THR 16 1.714 -5.694 -6.667 129 HB THR 16 HB THR 16 2.687 -8.325 -7.829 130 HG1 THR 16 HG1 THR 16 0.679 -8.758 -8.184 131 HG21 THR 16 HG21 THR 16 1.817 -9.390 -5.825 132 HG22 THR 16 HG22 THR 16 1.303 -7.836 -5.158 133 HG23 THR 16 HG23 THR 16 3.038 -8.195 -5.351 134 H LEU 17 HN LEU 17 3.153 -5.070 -5.153 135 HA LEU 17 HA LEU 17 6.044 -4.828 -5.740 136 HB2 LEU 17 HB2 LEU 17 4.798 -2.878 -4.853 137 HB3 LEU 17 HB3 LEU 17 4.225 -3.847 -3.509 138 HG LEU 17 HG LEU 17 6.840 -4.249 -2.935 139 HD11 LEU 17 HD11 LEU 17 8.318 -2.599 -3.479 140 HD12 LEU 17 HD12 LEU 17 7.065 -1.525 -4.203 141 HD13 LEU 17 HD13 LEU 17 7.537 -3.001 -5.034 142 HD21 LEU 17 HD21 LEU 17 5.174 -3.076 -1.503 143 HD22 LEU 17 HD22 LEU 17 5.441 -1.571 -2.406 144 HD23 LEU 17 HD23 LEU 17 6.744 -2.315 -1.434 145 H THR 18 HN THR 18 7.052 -6.711 -5.287 146 HA THR 18 HA THR 18 6.311 -8.174 -2.781 147 HB THR 18 HB THR 18 7.660 -9.368 -5.238 148 HG1 THR 18 HG1 THR 18 5.906 -9.824 -6.118 149 HG21 THR 18 HG21 THR 18 6.288 -10.759 -2.915 150 HG22 THR 18 HG22 THR 18 8.025 -10.704 -3.233 151 HG23 THR 18 HG23 THR 18 6.944 -11.549 -4.360 152 H LEU 19 HN LEU 19 7.656 -8.860 -1.318 153 HA LEU 19 HA LEU 19 10.395 -7.798 -1.486 154 HB2 LEU 19 HB2 LEU 19 8.253 -7.433 0.701 155 HB3 LEU 19 HB3 LEU 19 9.930 -7.213 1.009 156 HG LEU 19 HG LEU 19 9.906 -5.524 -1.056 157 HD11 LEU 19 HD11 LEU 19 7.688 -4.435 -0.960 158 HD12 LEU 19 HD12 LEU 19 7.195 -6.161 -0.733 159 HD13 LEU 19 HD13 LEU 19 8.280 -5.717 -2.062 160 HD21 LEU 19 HD21 LEU 19 10.151 -4.807 1.466 161 HD22 LEU 19 HD22 LEU 19 8.386 -4.746 1.488 162 HD23 LEU 19 HD23 LEU 19 9.290 -3.669 0.402 163 H ARG 20 HN ARG 20 11.331 -8.436 0.287 164 HA ARG 20 HA ARG 20 10.664 -11.231 1.318 165 HB2 ARG 20 HB2 ARG 20 12.252 -11.453 -0.621 166 HB3 ARG 20 HB3 ARG 20 13.522 -10.797 0.447 167 HG2 ARG 20 HG2 ARG 20 13.059 -12.688 2.054 168 HG3 ARG 20 HG3 ARG 20 11.727 -13.216 1.049 169 HD2 ARG 20 HD2 ARG 20 13.655 -14.608 0.709 170 HD3 ARG 20 HD3 ARG 20 13.298 -13.723 -0.783 171 HE ARG 20 HE ARG 20 15.187 -12.316 0.857 172 HH11 ARG 20 HH11 ARG 20 15.104 -15.259 -1.109 173 HH12 ARG 20 HH12 ARG 20 16.598 -14.962 -1.933 174 HH21 ARG 20 HH21 ARG 20 17.280 -12.111 0.168 175 HH22 ARG 20 HH22 ARG 20 17.993 -13.197 -0.987 176 H TYR 21 HN TYR 21 10.041 -10.112 3.273 177 HA TYR 21 HA TYR 21 11.956 -8.926 5.019 178 HB2 TYR 21 HB2 TYR 21 9.477 -8.549 5.122 179 HB3 TYR 21 HB3 TYR 21 9.331 -10.133 5.877 180 HD1 TYR 21 HD2 TYR 21 10.734 -10.529 8.090 181 HD2 TYR 21 HD1 TYR 21 9.890 -6.607 6.470 182 HE1 TYR 21 HE2 TYR 21 11.165 -9.521 10.286 183 HE2 TYR 21 HE1 TYR 21 10.206 -5.617 8.686 184 HH TYR 21 HH TYR 21 10.591 -6.069 11.014 185 H GLY 22 HN GLY 22 13.653 -10.094 5.707 186 HA2 GLY 22 HA2 GLY 22 14.934 -11.769 6.677 187 HA3 GLY 22 HA1 GLY 22 13.438 -12.327 7.451 188 H GLU 23 HN GLU 23 12.750 -14.306 6.849 189 HA GLU 23 HA GLU 23 13.914 -15.644 4.472 190 HB2 GLU 23 HB2 GLU 23 12.410 -16.653 6.904 191 HB3 GLU 23 HB3 GLU 23 13.052 -17.686 5.634 192 HG2 GLU 23 HG2 GLU 23 14.942 -15.798 7.079 193 HG3 GLU 23 HG3 GLU 23 14.372 -17.255 7.868 194 H ASP 24 HN ASP 24 11.068 -13.899 5.230 195 HA ASP 24 HA ASP 24 9.175 -15.809 3.957 196 HB2 ASP 24 HB2 ASP 24 9.122 -13.751 6.124 197 HB3 ASP 24 HB3 ASP 24 7.775 -13.654 5.027 198 H SER 25 HN SER 25 7.658 -14.889 2.269 199 HA SER 25 HA SER 25 8.574 -12.361 1.120 200 HB2 SER 25 HB2 SER 25 7.856 -13.666 -1.086 201 HB3 SER 25 HB3 SER 25 9.498 -13.564 -0.403 202 HG SER 25 HG SER 25 7.836 -15.697 0.353 203 H TYR 26 HN TYR 26 7.167 -10.994 1.393 204 HA TYR 26 HA TYR 26 4.262 -11.623 1.098 205 HB2 TYR 26 HB2 TYR 26 5.584 -9.127 2.206 206 HB3 TYR 26 HB3 TYR 26 3.862 -9.474 2.192 207 HD1 TYR 26 HD1 TYR 26 3.275 -11.878 3.295 208 HD2 TYR 26 HD2 TYR 26 6.755 -9.527 4.190 209 HE1 TYR 26 HE1 TYR 26 3.424 -12.990 5.526 210 HE2 TYR 26 HE2 TYR 26 7.084 -10.816 6.285 211 HH TYR 26 HH TYR 26 4.547 -13.084 7.519 212 H ASP 27 HN ASP 27 3.127 -10.702 -0.470 213 HA ASP 27 HA ASP 27 4.425 -9.052 -2.544 214 HB2 ASP 27 HB2 ASP 27 3.117 -10.285 -4.162 215 HB3 ASP 27 HB3 ASP 27 4.153 -11.390 -3.284 216 H LEU 28 HN LEU 28 3.599 -7.063 -2.194 217 HA LEU 28 HA LEU 28 0.855 -6.806 -1.099 218 HB2 LEU 28 HB2 LEU 28 2.988 -4.688 -1.563 219 HB3 LEU 28 HB3 LEU 28 1.503 -4.549 -0.635 220 HG LEU 28 HG LEU 28 2.683 -6.599 0.733 221 HD11 LEU 28 HD11 LEU 28 4.707 -6.814 -0.468 222 HD12 LEU 28 HD12 LEU 28 5.084 -6.091 1.077 223 HD13 LEU 28 HD13 LEU 28 5.032 -5.067 -0.370 224 HD21 LEU 28 HD21 LEU 28 1.831 -4.567 1.698 225 HD22 LEU 28 HD22 LEU 28 3.259 -3.652 1.128 226 HD23 LEU 28 HD23 LEU 28 3.407 -4.921 2.361 227 HA PRO 29 HA PRO 29 -0.152 -5.599 -5.313 228 HB2 PRO 29 HB2 PRO 29 -2.640 -4.610 -4.979 229 HB3 PRO 29 HB3 PRO 29 -2.292 -6.345 -4.878 230 HG2 PRO 29 HG2 PRO 29 -2.635 -4.350 -2.664 231 HG3 PRO 29 HG3 PRO 29 -3.305 -6.016 -2.789 232 HD2 PRO 29 HD2 PRO 29 -1.067 -5.499 -1.319 233 HD3 PRO 29 HD3 PRO 29 -1.286 -7.016 -2.241 234 H ALA 30 HN ALA 30 -0.712 -3.630 -6.607 235 HA ALA 30 HA ALA 30 0.572 -1.258 -5.748 236 HB1 ALA 30 HB1 ALA 30 -1.548 -1.764 -7.900 237 HB2 ALA 30 HB2 ALA 30 -0.643 -0.252 -7.709 238 HB3 ALA 30 HB3 ALA 30 0.237 -1.782 -8.030 239 H GLU 31 HN GLU 31 -3.017 -2.104 -5.542 240 HA GLU 31 HA GLU 31 -3.679 0.498 -4.636 241 HB2 GLU 31 HB2 GLU 31 -5.692 -0.381 -3.823 242 HB3 GLU 31 HB3 GLU 31 -5.413 -1.012 -5.443 243 HG2 GLU 31 HG2 GLU 31 -4.890 -2.649 -2.918 244 HG3 GLU 31 HG3 GLU 31 -6.490 -2.482 -3.603 245 H PHE 32 HN PHE 32 -2.316 -2.285 -2.839 246 HA PHE 32 HA PHE 32 -3.141 -1.547 -0.260 247 HB2 PHE 32 HB2 PHE 32 -2.153 -3.629 -0.514 248 HB3 PHE 32 HB3 PHE 32 -0.705 -3.010 -1.294 249 HD1 PHE 32 HD1 PHE 32 1.121 -1.752 0.148 250 HD2 PHE 32 HD2 PHE 32 -2.426 -3.690 1.874 251 HE1 PHE 32 HE1 PHE 32 2.049 -1.658 2.391 252 HE2 PHE 32 HE2 PHE 32 -1.460 -3.532 4.059 253 HZ PHE 32 HZ PHE 32 0.853 -2.577 4.356 254 H LEU 33 HN LEU 33 -0.105 -0.565 -1.982 255 HA LEU 33 HA LEU 33 0.776 0.995 0.222 256 HB2 LEU 33 HB2 LEU 33 1.518 0.843 -2.734 257 HB3 LEU 33 HB3 LEU 33 2.400 1.835 -1.562 258 HG LEU 33 HG LEU 33 3.555 -0.051 -1.804 259 HD11 LEU 33 HD11 LEU 33 2.405 -0.134 0.856 260 HD12 LEU 33 HD12 LEU 33 3.902 0.552 0.266 261 HD13 LEU 33 HD13 LEU 33 3.738 -1.212 0.347 262 HD21 LEU 33 HD21 LEU 33 3.023 -2.365 -1.630 263 HD22 LEU 33 HD22 LEU 33 2.627 -1.448 -3.078 264 HD23 LEU 33 HD23 LEU 33 1.343 -1.868 -1.924 265 H ARG 34 HN ARG 34 -0.946 1.876 -2.755 266 HA ARG 34 HA ARG 34 -0.843 4.698 -2.357 267 HB2 ARG 34 HB2 ARG 34 -1.587 3.783 -4.451 268 HB3 ARG 34 HB3 ARG 34 -2.874 2.872 -3.681 269 HG2 ARG 34 HG2 ARG 34 -3.744 4.761 -4.942 270 HG3 ARG 34 HG3 ARG 34 -4.149 4.871 -3.233 271 HD2 ARG 34 HD2 ARG 34 -1.668 6.304 -4.061 272 HD3 ARG 34 HD3 ARG 34 -3.128 6.853 -4.901 273 HE ARG 34 HE ARG 34 -2.542 6.952 -2.002 274 HH11 ARG 34 HH11 ARG 34 -4.790 8.083 -4.598 275 HH12 ARG 34 HH12 ARG 34 -5.711 8.998 -3.448 276 HH21 ARG 34 HH21 ARG 34 -3.572 8.420 -0.703 277 HH22 ARG 34 HH22 ARG 34 -4.964 9.282 -1.244 278 H VAL 35 HN VAL 35 -3.086 2.310 -0.836 279 HA VAL 35 HA VAL 35 -4.427 4.540 0.613 280 HB VAL 35 HB VAL 35 -5.809 2.922 1.595 281 HG11 VAL 35 HG11 VAL 35 -6.494 3.621 -0.561 282 HG12 VAL 35 HG12 VAL 35 -5.386 2.543 -1.410 283 HG13 VAL 35 HG13 VAL 35 -6.764 1.883 -0.506 284 HG21 VAL 35 HG21 VAL 35 -4.152 1.091 1.937 285 HG22 VAL 35 HG22 VAL 35 -5.711 0.565 1.283 286 HG23 VAL 35 HG23 VAL 35 -4.310 0.695 0.208 287 H HIS 36 HN HIS 36 -1.415 2.975 1.063 288 HA HIS 36 HA HIS 36 -1.322 3.843 3.893 289 HB2 HIS 36 HB2 HIS 36 -0.624 1.178 2.723 290 HB3 HIS 36 HB3 HIS 36 0.496 1.803 3.902 291 HD1 HIS 36 HD1 HIS 36 -1.322 3.075 6.104 292 HD2 HIS 36 HD2 HIS 36 -1.867 -0.655 4.189 293 HE1 HIS 36 HE1 HIS 36 -2.787 1.664 7.628 294 H SER 37 HN SER 37 -0.635 5.471 1.549 295 HA SER 37 HA SER 37 2.273 5.608 1.675 296 HB2 SER 37 HB2 SER 37 1.823 7.153 -0.247 297 HB3 SER 37 HB3 SER 37 1.492 5.445 -0.483 298 HG SER 37 HG SER 37 -0.145 7.175 -1.162 299 HA PRO 38 HA PRO 38 1.147 9.129 4.478 300 HB2 PRO 38 HB2 PRO 38 3.223 8.983 6.211 301 HB3 PRO 38 HB3 PRO 38 1.849 7.827 6.293 302 HG2 PRO 38 HG2 PRO 38 4.547 7.348 5.034 303 HG3 PRO 38 HG3 PRO 38 3.615 6.300 6.139 304 HD2 PRO 38 HD2 PRO 38 3.564 6.053 3.378 305 HD3 PRO 38 HD3 PRO 38 2.179 5.630 4.431 306 H SER 39 HN SER 39 1.574 11.046 3.345 307 HA SER 39 HA SER 39 3.933 11.466 1.836 308 HB2 SER 39 HB2 SER 39 2.670 13.904 2.157 309 HB3 SER 39 HB3 SER 39 2.298 12.699 0.918 310 HG SER 39 HG SER 39 0.383 12.838 1.741 311 H ALA 40 HN ALA 40 5.333 13.395 2.303 312 HA ALA 40 HA ALA 40 5.884 13.816 5.211 313 HB1 ALA 40 HB1 ALA 40 7.700 14.085 2.787 314 HB2 ALA 40 HB2 ALA 40 8.160 14.413 4.470 315 HB3 ALA 40 HB3 ALA 40 7.723 12.764 3.991 316 H GLU 41 HN GLU 41 4.545 15.299 2.506 317 HA GLU 41 HA GLU 41 5.361 18.010 3.158 318 HB2 GLU 41 HB2 GLU 41 3.392 17.016 1.068 319 HB3 GLU 41 HB3 GLU 41 4.239 18.556 1.080 320 HG2 GLU 41 HG2 GLU 41 5.409 15.794 0.548 321 HG3 GLU 41 HG3 GLU 41 5.145 17.060 -0.618 322 H VAL 42 HN VAL 42 3.723 16.283 4.884 323 HA VAL 42 HA VAL 42 0.953 17.154 4.730 324 HB VAL 42 HB VAL 42 2.362 15.393 6.781 325 HG11 VAL 42 HG11 VAL 42 0.271 16.363 7.687 326 HG12 VAL 42 HG12 VAL 42 -0.606 15.845 6.235 327 HG13 VAL 42 HG13 VAL 42 0.064 14.636 7.365 328 HG21 VAL 42 HG21 VAL 42 1.273 13.550 5.494 329 HG22 VAL 42 HG22 VAL 42 0.720 14.761 4.307 330 HG23 VAL 42 HG23 VAL 42 2.449 14.461 4.541 331 H GLN 43 HN GLN 43 3.206 17.160 7.503 332 HA GLN 43 HA GLN 43 3.689 18.596 9.142 333 HB2 GLN 43 HB2 GLN 43 3.119 20.740 7.083 334 HB3 GLN 43 HB3 GLN 43 4.154 20.873 8.506 335 HG2 GLN 43 HG2 GLN 43 5.897 19.714 7.595 336 HG3 GLN 43 HG3 GLN 43 4.894 18.715 6.549 337 HE21 GLN 43 HE21 GLN 43 3.619 19.952 4.758 338 HE22 GLN 43 HE22 GLN 43 4.704 20.923 3.835 339 H GLY 44 HN GLY 44 1.364 17.566 9.568 340 HA2 GLY 44 HA2 GLY 44 -0.049 19.549 11.086 341 HA3 GLY 44 HA1 GLY 44 -0.946 19.214 9.610 342 H HIS 45 HN HIS 45 0.051 16.243 9.845 343 HA HIS 45 HA HIS 45 -1.058 14.340 10.391 344 HB2 HIS 45 HB2 HIS 45 -0.584 15.473 13.158 345 HB3 HIS 45 HB3 HIS 45 -1.124 13.835 12.855 346 HD1 HIS 45 HD1 HIS 45 0.576 12.051 12.187 347 HD2 HIS 45 HD2 HIS 45 2.021 16.017 12.087 348 HE1 HIS 45 HE1 HIS 45 3.099 11.910 11.731 349 H GLY 46 HN GLY 46 -2.907 16.131 9.454 350 HA2 GLY 46 HA2 GLY 46 -5.277 16.413 10.930 351 HA3 GLY 46 HA1 GLY 46 -5.176 16.166 9.177 352 H ASN 47 HN ASN 47 -7.323 15.151 10.273 353 HA ASN 47 HA ASN 47 -7.194 12.799 11.777 354 HB2 ASN 47 HB2 ASN 47 -9.367 13.749 9.892 355 HB3 ASN 47 HB3 ASN 47 -9.589 12.391 10.961 356 HD21 ASN 47 HD21 ASN 47 -10.314 15.637 10.826 357 HD22 ASN 47 HD22 ASN 47 -10.397 15.885 12.566 358 HA PRO 48 HA PRO 48 -6.480 9.460 8.887 359 HB2 PRO 48 HB2 PRO 48 -7.994 7.453 9.989 360 HB3 PRO 48 HB3 PRO 48 -6.429 7.987 10.679 361 HG2 PRO 48 HG2 PRO 48 -9.223 8.706 11.559 362 HG3 PRO 48 HG3 PRO 48 -7.796 8.317 12.575 363 HD2 PRO 48 HD2 PRO 48 -8.630 10.864 12.070 364 HD3 PRO 48 HD3 PRO 48 -6.931 10.477 12.353 365 H VAL 49 HN VAL 49 -7.551 8.701 7.070 366 HA VAL 49 HA VAL 49 -10.454 9.116 6.797 367 HB VAL 49 HB VAL 49 -8.424 10.213 4.815 368 HG11 VAL 49 HG11 VAL 49 -11.455 10.235 4.839 369 HG12 VAL 49 HG12 VAL 49 -10.474 11.195 3.737 370 HG13 VAL 49 HG13 VAL 49 -10.398 9.434 3.654 371 HG21 VAL 49 HG21 VAL 49 -9.321 12.464 5.368 372 HG22 VAL 49 HG22 VAL 49 -10.289 11.750 6.677 373 HG23 VAL 49 HG23 VAL 49 -8.516 11.742 6.751 374 H LEU 50 HN LEU 50 -11.320 7.534 5.661 375 HA LEU 50 HA LEU 50 -9.744 5.243 4.837 376 HB2 LEU 50 HB2 LEU 50 -11.990 5.015 5.874 377 HB3 LEU 50 HB3 LEU 50 -12.715 6.001 4.605 378 HG LEU 50 HG LEU 50 -12.159 4.271 2.914 379 HD11 LEU 50 HD11 LEU 50 -11.613 1.933 4.164 380 HD12 LEU 50 HD12 LEU 50 -10.736 3.035 5.235 381 HD13 LEU 50 HD13 LEU 50 -10.399 2.996 3.477 382 HD21 LEU 50 HD21 LEU 50 -14.330 4.340 3.970 383 HD22 LEU 50 HD22 LEU 50 -13.756 3.298 5.294 384 HD23 LEU 50 HD23 LEU 50 -13.865 2.670 3.640 385 H GLN 51 HN GLN 51 -8.634 5.151 2.999 386 HA GLN 51 HA GLN 51 -9.379 6.780 0.704 387 HB2 GLN 51 HB2 GLN 51 -7.064 4.968 1.500 388 HB3 GLN 51 HB3 GLN 51 -7.130 5.870 -0.017 389 HG2 GLN 51 HG2 GLN 51 -7.418 7.241 2.713 390 HG3 GLN 51 HG3 GLN 51 -5.881 6.908 2.032 391 HE21 GLN 51 HE21 GLN 51 -7.239 9.535 2.612 392 HE22 GLN 51 HE22 GLN 51 -7.081 10.380 1.091 393 H TYR 52 HN TYR 52 -10.767 5.969 -0.809 394 HA TYR 52 HA TYR 52 -11.012 3.055 -1.106 395 HB2 TYR 52 HB2 TYR 52 -13.344 3.229 -1.425 396 HB3 TYR 52 HB3 TYR 52 -12.913 3.845 0.147 397 HD1 TYR 52 HD2 TYR 52 -13.118 6.235 0.743 398 HD2 TYR 52 HD1 TYR 52 -14.386 4.731 -3.129 399 HE1 TYR 52 HE2 TYR 52 -14.397 8.279 0.344 400 HE2 TYR 52 HE1 TYR 52 -15.649 6.754 -3.515 401 HH TYR 52 HH TYR 52 -16.492 8.633 -2.556 402 H GLY 53 HN GLY 53 -12.771 3.183 -3.338 403 HA2 GLY 53 HA2 GLY 53 -12.556 3.064 -5.619 404 HA3 GLY 53 HA1 GLY 53 -11.987 4.713 -5.482 405 H LYS 54 HN LYS 54 -10.917 1.331 -5.452 406 HA LYS 54 HA LYS 54 -8.293 2.028 -6.499 407 HB2 LYS 54 HB2 LYS 54 -6.919 0.967 -4.960 408 HB3 LYS 54 HB3 LYS 54 -7.719 2.339 -4.249 409 HG2 LYS 54 HG2 LYS 54 -8.417 -0.579 -3.696 410 HG3 LYS 54 HG3 LYS 54 -7.422 0.505 -2.694 411 HD2 LYS 54 HD2 LYS 54 -9.539 2.087 -3.025 412 HD3 LYS 54 HD3 LYS 54 -10.359 0.548 -3.169 413 HE2 LYS 54 HE2 LYS 54 -8.809 1.706 -0.812 414 HE3 LYS 54 HE3 LYS 54 -10.489 1.192 -0.848 415 HZ1 LYS 54 HZ1 LYS 54 -8.139 -0.572 -0.881 416 HZ2 LYS 54 HZ2 LYS 54 -9.700 -1.104 -1.047 417 HZ3 LYS 54 HZ3 LYS 54 -9.237 -0.417 0.332 418 H LEU 55 HN LEU 55 -10.854 0.094 -6.899 419 HA LEU 55 HA LEU 55 -9.671 -2.502 -6.833 420 HB2 LEU 55 HB2 LEU 55 -12.166 -1.771 -6.842 421 HB3 LEU 55 HB3 LEU 55 -12.019 -1.637 -8.570 422 HG LEU 55 HG LEU 55 -11.437 -4.063 -8.700 423 HD11 LEU 55 HD11 LEU 55 -10.505 -4.396 -6.351 424 HD12 LEU 55 HD12 LEU 55 -11.766 -5.537 -6.767 425 HD13 LEU 55 HD13 LEU 55 -12.147 -4.186 -5.709 426 HD21 LEU 55 HD21 LEU 55 -13.783 -3.258 -8.876 427 HD22 LEU 55 HD22 LEU 55 -13.982 -3.369 -7.136 428 HD23 LEU 55 HD23 LEU 55 -13.775 -4.820 -8.121 429 H ASN 56 HN ASN 56 -9.302 0.067 -9.131 430 HA ASN 56 HA ASN 56 -8.829 -1.830 -11.361 431 HB2 ASN 56 HB2 ASN 56 -9.490 1.138 -11.378 432 HB3 ASN 56 HB3 ASN 56 -9.287 0.098 -12.793 433 HD21 ASN 56 HD21 ASN 56 -11.644 1.209 -10.565 434 HD22 ASN 56 HD22 ASN 56 -12.829 -0.076 -10.845 435 H VAL 57 HN VAL 57 -7.042 -0.032 -9.152 436 HA VAL 57 HA VAL 57 -5.087 1.341 -10.549 437 HB VAL 57 HB VAL 57 -5.060 -0.237 -7.925 438 HG11 VAL 57 HG11 VAL 57 -2.976 0.928 -7.272 439 HG12 VAL 57 HG12 VAL 57 -2.696 -0.083 -8.696 440 HG13 VAL 57 HG13 VAL 57 -2.876 1.663 -8.896 441 HG21 VAL 57 HG21 VAL 57 -4.654 2.445 -7.403 442 HG22 VAL 57 HG22 VAL 57 -5.939 2.396 -8.648 443 HG23 VAL 57 HG23 VAL 57 -6.110 1.455 -7.147 444 H GLY 58 HN GLY 58 -2.923 0.883 -11.257 445 HA2 GLY 58 HA2 GLY 58 -1.975 -1.877 -10.857 446 HA3 GLY 58 HA1 GLY 58 -2.267 -1.333 -12.480 447 H LEU 59 HN LEU 59 -0.885 0.645 -10.031 448 HA LEU 59 HA LEU 59 0.932 1.982 -9.968 449 HB2 LEU 59 HB2 LEU 59 1.283 -0.690 -9.514 450 HB3 LEU 59 HB3 LEU 59 2.405 -0.421 -10.783 451 HG LEU 59 HG LEU 59 2.757 1.726 -8.970 452 HD11 LEU 59 HD11 LEU 59 2.514 -0.880 -7.557 453 HD12 LEU 59 HD12 LEU 59 1.510 0.568 -7.395 454 HD13 LEU 59 HD13 LEU 59 3.233 0.640 -6.883 455 HD21 LEU 59 HD21 LEU 59 4.525 -0.696 -9.288 456 HD22 LEU 59 HD22 LEU 59 4.946 0.900 -8.567 457 HD23 LEU 59 HD23 LEU 59 4.549 0.755 -10.295 458 H VAL 60 HN VAL 60 3.159 2.419 -10.873 459 HA VAL 60 HA VAL 60 3.245 2.349 -13.837 460 HB VAL 60 HB VAL 60 3.760 4.898 -13.624 461 HG11 VAL 60 HG11 VAL 60 1.815 3.784 -14.886 462 HG12 VAL 60 HG12 VAL 60 0.851 4.021 -13.421 463 HG13 VAL 60 HG13 VAL 60 1.491 5.425 -14.271 464 HG21 VAL 60 HG21 VAL 60 2.302 6.091 -11.998 465 HG22 VAL 60 HG22 VAL 60 1.877 4.531 -11.258 466 HG23 VAL 60 HG23 VAL 60 3.549 5.094 -11.234 467 H GLY 61 HN GLY 61 4.768 3.085 -10.727 468 HA2 GLY 61 HA2 GLY 61 7.262 2.012 -11.608 469 HA3 GLY 61 HA1 GLY 61 7.346 3.774 -11.678 470 H VAL 62 HN VAL 62 9.155 2.725 -10.186 471 HA VAL 62 HA VAL 62 8.684 3.717 -7.633 472 HB VAL 62 HB VAL 62 7.571 1.639 -7.359 473 HG11 VAL 62 HG11 VAL 62 8.853 0.142 -8.829 474 HG12 VAL 62 HG12 VAL 62 10.178 0.121 -7.641 475 HG13 VAL 62 HG13 VAL 62 8.583 -0.548 -7.218 476 HG21 VAL 62 HG21 VAL 62 8.202 1.035 -5.251 477 HG22 VAL 62 HG22 VAL 62 9.900 1.482 -5.535 478 HG23 VAL 62 HG23 VAL 62 8.612 2.720 -5.434 479 H GLU 63 HN GLU 63 10.527 4.577 -7.110 480 HA GLU 63 HA GLU 63 13.139 3.377 -7.914 481 HB2 GLU 63 HB2 GLU 63 12.407 6.238 -8.677 482 HB3 GLU 63 HB3 GLU 63 14.013 5.559 -8.760 483 HG2 GLU 63 HG2 GLU 63 13.054 3.754 -10.282 484 HG3 GLU 63 HG3 GLU 63 11.632 4.772 -10.443 485 HA PRO 64 HA PRO 64 14.043 4.460 -3.835 486 HB2 PRO 64 HB2 PRO 64 16.753 4.695 -3.731 487 HB3 PRO 64 HB3 PRO 64 15.904 3.153 -4.033 488 HG2 PRO 64 HG2 PRO 64 17.085 5.055 -6.056 489 HG3 PRO 64 HG3 PRO 64 17.298 3.273 -5.973 490 HD2 PRO 64 HD2 PRO 64 15.494 4.489 -7.642 491 HD3 PRO 64 HD3 PRO 64 15.129 2.924 -6.881 492 H ALA 65 HN ALA 65 14.580 6.138 -2.311 493 HA ALA 65 HA ALA 65 14.970 8.825 -3.525 494 HB1 ALA 65 HB1 ALA 65 12.646 8.572 -2.899 495 HB2 ALA 65 HB2 ALA 65 13.103 8.047 -1.276 496 HB3 ALA 65 HB3 ALA 65 13.478 9.694 -1.799 497 H GLY 66 HN GLY 66 16.971 9.220 -3.098 498 HA2 GLY 66 HA2 GLY 66 19.030 9.403 -2.113 499 HA3 GLY 66 HA1 GLY 66 18.195 9.476 -0.554 500 H GLN 67 HN GLN 67 18.595 7.833 0.763 501 HA GLN 67 HA GLN 67 19.145 5.108 -0.269 502 HB2 GLN 67 HB2 GLN 67 21.193 4.922 0.690 503 HB3 GLN 67 HB3 GLN 67 21.115 6.531 -0.051 504 HG2 GLN 67 HG2 GLN 67 20.811 7.610 1.969 505 HG3 GLN 67 HG3 GLN 67 20.791 6.073 2.862 506 HE21 GLN 67 HE21 GLN 67 22.946 7.708 0.373 507 HE22 GLN 67 HE22 GLN 67 24.400 7.525 1.314 508 H TYR 68 HN TYR 68 17.129 6.706 1.221 509 HA TYR 68 HA TYR 68 16.818 5.042 3.719 510 HB2 TYR 68 HB2 TYR 68 15.993 7.366 4.677 511 HB3 TYR 68 HB3 TYR 68 17.677 6.876 4.703 512 HD1 TYR 68 HD2 TYR 68 15.205 9.029 2.897 513 HD2 TYR 68 HD1 TYR 68 19.345 8.040 3.482 514 HE1 TYR 68 HE2 TYR 68 15.871 10.991 1.525 515 HE2 TYR 68 HE1 TYR 68 20.033 9.886 1.984 516 HH TYR 68 HH TYR 68 19.283 11.900 0.925 517 H ALA 69 HN ALA 69 15.194 6.978 1.200 518 HA ALA 69 HA ALA 69 12.569 5.962 2.145 519 HB1 ALA 69 HB1 ALA 69 12.653 8.311 2.526 520 HB2 ALA 69 HB2 ALA 69 13.289 8.622 0.899 521 HB3 ALA 69 HB3 ALA 69 11.624 8.028 1.110 522 H LEU 70 HN LEU 70 10.975 6.061 0.111 523 HA LEU 70 HA LEU 70 12.366 5.127 -2.295 524 HB2 LEU 70 HB2 LEU 70 11.322 3.278 -0.531 525 HB3 LEU 70 HB3 LEU 70 9.915 3.596 -1.538 526 HG LEU 70 HG LEU 70 12.671 2.598 -2.393 527 HD11 LEU 70 HD11 LEU 70 11.435 0.629 -3.215 528 HD12 LEU 70 HD12 LEU 70 9.902 1.370 -2.715 529 HD13 LEU 70 HD13 LEU 70 11.104 0.890 -1.502 530 HD21 LEU 70 HD21 LEU 70 11.978 4.092 -4.083 531 HD22 LEU 70 HD22 LEU 70 10.352 3.444 -4.161 532 HD23 LEU 70 HD23 LEU 70 11.759 2.481 -4.715 533 H LYS 71 HN LYS 71 11.315 5.890 -4.164 534 HA LYS 71 HA LYS 71 9.062 7.740 -3.799 535 HB2 LYS 71 HB2 LYS 71 11.578 7.990 -4.916 536 HB3 LYS 71 HB3 LYS 71 10.666 7.580 -6.332 537 HG2 LYS 71 HG2 LYS 71 9.678 9.632 -6.411 538 HG3 LYS 71 HG3 LYS 71 9.412 9.698 -4.670 539 HD2 LYS 71 HD2 LYS 71 11.840 10.219 -4.370 540 HD3 LYS 71 HD3 LYS 71 12.005 10.279 -6.146 541 HE2 LYS 71 HE2 LYS 71 10.187 12.003 -6.238 542 HE3 LYS 71 HE3 LYS 71 10.083 11.983 -4.483 543 HZ1 LYS 71 HZ1 LYS 71 12.206 12.912 -4.306 544 HZ2 LYS 71 HZ2 LYS 71 11.387 13.834 -5.364 545 HZ3 LYS 71 HZ3 LYS 71 12.537 12.791 -5.913 546 H LEU 72 HN LEU 72 7.321 6.280 -3.742 547 HA LEU 72 HA LEU 72 6.991 4.121 -5.701 548 HB2 LEU 72 HB2 LEU 72 5.949 4.816 -3.074 549 HB3 LEU 72 HB3 LEU 72 4.654 4.706 -4.220 550 HG LEU 72 HG LEU 72 4.807 2.704 -3.295 551 HD11 LEU 72 HD11 LEU 72 4.473 2.573 -5.708 552 HD12 LEU 72 HD12 LEU 72 5.032 1.067 -4.957 553 HD13 LEU 72 HD13 LEU 72 6.153 2.089 -5.873 554 HD21 LEU 72 HD21 LEU 72 6.662 2.568 -2.046 555 HD22 LEU 72 HD22 LEU 72 7.730 2.467 -3.451 556 HD23 LEU 72 HD23 LEU 72 6.587 1.128 -3.070 557 H SER 73 HN SER 73 5.533 4.272 -7.487 558 HA SER 73 HA SER 73 4.128 6.878 -7.836 559 HB2 SER 73 HB2 SER 73 5.430 5.212 -10.004 560 HB3 SER 73 HB3 SER 73 4.667 6.781 -10.146 561 HG SER 73 HG SER 73 6.333 7.699 -9.129 562 H PHE 74 HN PHE 74 1.951 6.420 -7.846 563 HA PHE 74 HA PHE 74 1.107 3.615 -8.542 564 HB2 PHE 74 HB2 PHE 74 -0.526 5.566 -6.924 565 HB3 PHE 74 HB3 PHE 74 -0.666 3.826 -7.016 566 HD1 PHE 74 HD1 PHE 74 1.588 2.511 -6.126 567 HD2 PHE 74 HD2 PHE 74 0.466 6.536 -5.013 568 HE1 PHE 74 HE1 PHE 74 2.713 2.240 -4.003 569 HE2 PHE 74 HE2 PHE 74 1.652 6.273 -2.882 570 HZ PHE 74 HZ PHE 74 2.736 4.105 -2.318 571 H ASP 75 HN ASP 75 -0.207 3.326 -10.148 572 HA ASP 75 HA ASP 75 -0.761 5.136 -12.147 573 HB2 ASP 75 HB2 ASP 75 -0.880 2.809 -12.444 574 HB3 ASP 75 HB3 ASP 75 -2.050 2.599 -11.179 575 H ASP 76 HN ASP 76 -2.735 4.632 -9.244 576 HA ASP 76 HA ASP 76 -4.676 6.687 -10.214 577 HB2 ASP 76 HB2 ASP 76 -5.564 4.436 -9.658 578 HB3 ASP 76 HB3 ASP 76 -4.971 4.641 -8.002 579 H GLY 77 HN GLY 77 -1.913 7.228 -9.072 580 HA2 GLY 77 HA2 GLY 77 -2.600 8.356 -6.377 581 HA3 GLY 77 HA1 GLY 77 -1.081 7.594 -6.816 582 H HIS 78 HN HIS 78 -0.650 9.634 -5.608 583 HA HIS 78 HA HIS 78 -0.392 12.097 -7.200 584 HB2 HIS 78 HB2 HIS 78 -1.373 12.515 -5.148 585 HB3 HIS 78 HB3 HIS 78 -0.484 11.240 -4.323 586 HD1 HIS 78 HD1 HIS 78 1.716 11.856 -3.120 587 HD2 HIS 78 HD2 HIS 78 0.005 14.934 -5.402 588 HE1 HIS 78 HE1 HIS 78 2.854 14.002 -2.356 589 H ASP 79 HN ASP 79 1.462 9.366 -6.506 590 HA ASP 79 HA ASP 79 3.620 8.755 -6.584 591 HB2 ASP 79 HB2 ASP 79 3.378 9.875 -8.792 592 HB3 ASP 79 HB3 ASP 79 3.929 11.394 -8.099 593 H SER 80 HN SER 80 5.907 9.212 -5.723 594 HA SER 80 HA SER 80 7.322 9.939 -4.158 595 HB2 SER 80 HB2 SER 80 7.263 11.702 -5.873 596 HB3 SER 80 HB3 SER 80 6.052 12.573 -4.923 597 HG SER 80 HG SER 80 7.940 13.451 -4.432 598 H GLY 81 HN GLY 81 7.416 11.976 -2.350 599 HA2 GLY 81 HA2 GLY 81 6.533 12.879 -0.485 600 HA3 GLY 81 HA1 GLY 81 5.162 11.770 -0.515 601 H LEU 82 HN LEU 82 8.523 10.616 -0.503 602 HA LEU 82 HA LEU 82 9.696 9.275 0.840 603 HB2 LEU 82 HB2 LEU 82 8.327 10.864 3.034 604 HB3 LEU 82 HB3 LEU 82 9.287 9.468 3.428 605 HG LEU 82 HG LEU 82 11.230 10.477 2.205 606 HD11 LEU 82 HD11 LEU 82 9.764 13.119 2.580 607 HD12 LEU 82 HD12 LEU 82 9.846 12.307 1.022 608 HD13 LEU 82 HD13 LEU 82 11.332 12.836 1.810 609 HD21 LEU 82 HD21 LEU 82 11.830 11.897 4.144 610 HD22 LEU 82 HD22 LEU 82 11.076 10.381 4.651 611 HD23 LEU 82 HD23 LEU 82 10.135 11.882 4.679 612 H PHE 83 HN PHE 83 9.373 7.637 2.825 613 HA PHE 83 HA PHE 83 6.973 6.235 3.084 614 HB2 PHE 83 HB2 PHE 83 8.615 5.366 0.774 615 HB3 PHE 83 HB3 PHE 83 8.463 4.106 1.972 616 HD1 PHE 83 HD1 PHE 83 6.197 3.300 2.724 617 HD2 PHE 83 HD2 PHE 83 6.695 6.008 -0.589 618 HE1 PHE 83 HE1 PHE 83 3.847 2.867 2.007 619 HE2 PHE 83 HE2 PHE 83 4.363 5.576 -1.293 620 HZ PHE 83 HZ PHE 83 2.931 3.979 0.049 621 H THR 84 HN THR 84 10.440 5.596 2.734 622 HA THR 84 HA THR 84 12.129 5.352 4.077 623 HB THR 84 HB THR 84 10.564 5.493 6.619 624 HG1 THR 84 HG1 THR 84 10.696 7.783 6.413 625 HG21 THR 84 HG21 THR 84 13.314 6.534 5.777 626 HG22 THR 84 HG22 THR 84 13.003 5.088 6.764 627 HG23 THR 84 HG23 THR 84 12.593 6.686 7.393 628 H TRP 85 HN TRP 85 13.264 3.640 4.938 629 HA TRP 85 HA TRP 85 12.198 1.234 3.978 630 HB2 TRP 85 HB2 TRP 85 14.716 1.851 5.585 631 HB3 TRP 85 HB3 TRP 85 14.362 0.261 4.985 632 HD1 TRP 85 HD1 TRP 85 16.430 2.929 4.011 633 HE1 TRP 85 HE1 TRP 85 16.901 3.003 1.488 634 HE3 TRP 85 HE3 TRP 85 12.682 -0.166 2.402 635 HZ2 TRP 85 HZ2 TRP 85 15.606 2.053 -0.948 636 HZ3 TRP 85 HZ3 TRP 85 12.284 -0.505 -0.012 637 HH2 TRP 85 HH2 TRP 85 13.763 0.604 -1.695 638 H ASP 86 HN ASP 86 12.354 2.420 7.246 639 HA ASP 86 HA ASP 86 12.089 -0.127 8.597 640 HB2 ASP 86 HB2 ASP 86 11.641 2.767 9.377 641 HB3 ASP 86 HB3 ASP 86 11.096 1.462 10.450 642 H TYR 87 HN TYR 87 9.777 2.321 7.574 643 HA TYR 87 HA TYR 87 7.353 0.986 8.311 644 HB2 TYR 87 HB2 TYR 87 7.644 3.423 7.950 645 HB3 TYR 87 HB3 TYR 87 7.999 3.131 6.262 646 HD1 TYR 87 HD1 TYR 87 5.258 1.933 8.625 647 HD2 TYR 87 HD2 TYR 87 6.303 3.866 4.908 648 HE1 TYR 87 HE1 TYR 87 2.880 2.246 8.121 649 HE2 TYR 87 HE2 TYR 87 3.917 4.107 4.362 650 HH TYR 87 HH TYR 87 1.778 3.567 4.961 651 H LEU 88 HN LEU 88 9.195 1.185 5.165 652 HA LEU 88 HA LEU 88 7.169 -0.169 3.727 653 HB2 LEU 88 HB2 LEU 88 10.057 0.434 3.230 654 HB3 LEU 88 HB3 LEU 88 9.344 -0.834 2.236 655 HG LEU 88 HG LEU 88 8.084 1.917 2.534 656 HD11 LEU 88 HD11 LEU 88 10.278 2.133 1.503 657 HD12 LEU 88 HD12 LEU 88 9.028 2.335 0.265 658 HD13 LEU 88 HD13 LEU 88 9.932 0.801 0.390 659 HD21 LEU 88 HD21 LEU 88 6.438 0.270 1.777 660 HD22 LEU 88 HD22 LEU 88 7.571 -0.397 0.603 661 HD23 LEU 88 HD23 LEU 88 6.911 1.252 0.400 662 H TYR 89 HN TYR 89 9.994 -1.653 5.374 663 HA TYR 89 HA TYR 89 9.093 -4.309 4.476 664 HB2 TYR 89 HB2 TYR 89 11.394 -3.214 5.812 665 HB3 TYR 89 HB3 TYR 89 10.762 -4.535 6.741 666 HD1 TYR 89 HD2 TYR 89 9.794 -6.296 4.136 667 HD2 TYR 89 HD1 TYR 89 13.410 -4.224 5.226 668 HE1 TYR 89 HE2 TYR 89 11.100 -7.665 2.614 669 HE2 TYR 89 HE1 TYR 89 14.698 -5.608 3.760 670 HH TYR 89 HH TYR 89 14.670 -7.690 2.607 671 H GLU 90 HN GLU 90 8.434 -2.195 7.277 672 HA GLU 90 HA GLU 90 7.252 -4.252 8.885 673 HB2 GLU 90 HB2 GLU 90 7.913 -2.044 9.757 674 HB3 GLU 90 HB3 GLU 90 6.688 -1.251 8.765 675 HG2 GLU 90 HG2 GLU 90 4.936 -2.046 10.029 676 HG3 GLU 90 HG3 GLU 90 5.844 -3.458 10.616 677 H LEU 91 HN LEU 91 5.866 -1.967 6.499 678 HA LEU 91 HA LEU 91 3.207 -2.860 6.342 679 HB2 LEU 91 HB2 LEU 91 5.121 -1.882 4.196 680 HB3 LEU 91 HB3 LEU 91 3.440 -2.225 3.885 681 HG LEU 91 HG LEU 91 4.379 -0.121 5.880 682 HD11 LEU 91 HD11 LEU 91 3.587 0.064 2.946 683 HD12 LEU 91 HD12 LEU 91 5.093 0.604 3.723 684 HD13 LEU 91 HD13 LEU 91 3.579 1.455 4.031 685 HD21 LEU 91 HD21 LEU 91 2.097 -0.963 6.311 686 HD22 LEU 91 HD22 LEU 91 1.627 -0.513 4.648 687 HD23 LEU 91 HD23 LEU 91 2.115 0.713 5.814 688 H ALA 92 HN ALA 92 6.092 -4.371 4.854 689 HA ALA 92 HA ALA 92 4.778 -6.246 3.191 690 HB1 ALA 92 HB1 ALA 92 7.344 -6.867 4.691 691 HB2 ALA 92 HB2 ALA 92 6.817 -7.424 3.106 692 HB3 ALA 92 HB3 ALA 92 7.280 -5.727 3.324 693 H THR 93 HN THR 93 5.759 -6.657 6.633 694 HA THR 93 HA THR 93 4.426 -9.292 6.678 695 HB THR 93 HB THR 93 6.436 -9.403 7.783 696 HG1 THR 93 HG1 THR 93 5.073 -10.327 9.170 697 HG21 THR 93 HG21 THR 93 7.048 -7.060 7.956 698 HG22 THR 93 HG22 THR 93 7.297 -7.917 9.457 699 HG23 THR 93 HG23 THR 93 5.876 -6.839 9.284 700 H ARG 94 HN ARG 94 3.724 -5.984 7.581 701 HA ARG 94 HA ARG 94 1.495 -6.703 9.337 702 HB2 ARG 94 HB2 ARG 94 2.435 -4.095 8.131 703 HB3 ARG 94 HB3 ARG 94 1.094 -4.248 9.267 704 HG2 ARG 94 HG2 ARG 94 3.705 -5.489 10.127 705 HG3 ARG 94 HG3 ARG 94 3.619 -3.753 9.995 706 HD2 ARG 94 HD2 ARG 94 3.053 -4.362 12.247 707 HD3 ARG 94 HD3 ARG 94 1.580 -3.755 11.473 708 HE ARG 94 HE ARG 94 1.623 -6.547 11.104 709 HH11 ARG 94 HH11 ARG 94 1.462 -4.347 13.909 710 HH12 ARG 94 HH12 ARG 94 0.520 -5.443 14.855 711 HH21 ARG 94 HH21 ARG 94 0.417 -7.973 12.323 712 HH22 ARG 94 HH22 ARG 94 0.067 -7.634 13.995 713 H LYS 95 HN LYS 95 1.888 -6.407 5.883 714 HA LYS 95 HA LYS 95 -0.391 -5.329 5.074 715 HB2 LYS 95 HB2 LYS 95 1.207 -6.147 3.471 716 HB3 LYS 95 HB3 LYS 95 0.941 -7.818 3.945 717 HG2 LYS 95 HG2 LYS 95 -1.460 -7.630 3.086 718 HG3 LYS 95 HG3 LYS 95 -1.009 -6.035 2.498 719 HD2 LYS 95 HD2 LYS 95 -0.530 -7.235 0.611 720 HD3 LYS 95 HD3 LYS 95 1.004 -7.490 1.429 721 HE2 LYS 95 HE2 LYS 95 -1.280 -9.389 1.062 722 HE3 LYS 95 HE3 LYS 95 0.416 -9.574 0.589 723 HZ1 LYS 95 HZ1 LYS 95 0.076 -10.957 2.451 724 HZ2 LYS 95 HZ2 LYS 95 -0.751 -9.841 3.291 725 HZ3 LYS 95 HZ3 LYS 95 0.855 -9.700 3.090 726 H ASP 96 HN ASP 96 -0.076 -8.707 6.108 727 HA ASP 96 HA ASP 96 -2.615 -9.712 5.628 728 HB2 ASP 96 HB2 ASP 96 -0.539 -10.914 6.406 729 HB3 ASP 96 HB3 ASP 96 -0.841 -10.301 8.033 730 H GLN 97 HN GLN 97 -1.609 -7.701 8.447 731 HA GLN 97 HA GLN 97 -4.215 -7.904 9.782 732 HB2 GLN 97 HB2 GLN 97 -2.093 -7.630 11.047 733 HB3 GLN 97 HB3 GLN 97 -1.745 -6.152 10.215 734 HG2 GLN 97 HG2 GLN 97 -2.599 -5.612 12.396 735 HG3 GLN 97 HG3 GLN 97 -3.726 -5.036 11.195 736 HE21 GLN 97 HE21 GLN 97 -5.886 -5.545 11.545 737 HE22 GLN 97 HE22 GLN 97 -6.418 -6.632 12.745 738 H LEU 98 HN LEU 98 -2.217 -5.454 8.111 739 HA LEU 98 HA LEU 98 -3.927 -3.260 8.440 740 HB2 LEU 98 HB2 LEU 98 -2.030 -3.800 6.100 741 HB3 LEU 98 HB3 LEU 98 -2.674 -2.256 6.577 742 HG LEU 98 HG LEU 98 -0.879 -3.908 8.375 743 HD11 LEU 98 HD11 LEU 98 0.849 -2.223 7.882 744 HD12 LEU 98 HD12 LEU 98 -0.217 -1.512 6.645 745 HD13 LEU 98 HD13 LEU 98 0.403 -3.178 6.462 746 HD21 LEU 98 HD21 LEU 98 -1.933 -1.127 8.670 747 HD22 LEU 98 HD22 LEU 98 -0.635 -1.879 9.677 748 HD23 LEU 98 HD23 LEU 98 -2.256 -2.548 9.711 749 H TRP 99 HN TRP 99 -3.691 -5.578 5.723 750 HA TRP 99 HA TRP 99 -5.608 -4.219 4.113 751 HB2 TRP 99 HB2 TRP 99 -3.868 -5.794 3.252 752 HB3 TRP 99 HB3 TRP 99 -4.710 -7.132 4.044 753 HD1 TRP 99 HD1 TRP 99 -6.065 -8.430 2.292 754 HE1 TRP 99 HE1 TRP 99 -7.446 -7.869 0.193 755 HE3 TRP 99 HE3 TRP 99 -5.388 -3.339 2.199 756 HZ2 TRP 99 HZ2 TRP 99 -8.372 -5.503 -1.149 757 HZ3 TRP 99 HZ3 TRP 99 -6.507 -1.967 0.497 758 HH2 TRP 99 HH2 TRP 99 -8.141 -3.046 -1.132 759 H ALA 100 HN ALA 100 -5.867 -6.954 6.446 760 HA ALA 100 HA ALA 100 -8.568 -7.520 5.813 761 HB1 ALA 100 HB1 ALA 100 -7.180 -9.069 7.212 762 HB2 ALA 100 HB2 ALA 100 -7.117 -7.853 8.496 763 HB3 ALA 100 HB3 ALA 100 -8.666 -8.605 8.038 764 H ASP 101 HN ASP 101 -7.078 -5.289 8.117 765 HA ASP 101 HA ASP 101 -9.475 -4.296 9.286 766 HB2 ASP 101 HB2 ASP 101 -7.138 -4.124 10.190 767 HB3 ASP 101 HB3 ASP 101 -6.775 -2.945 8.936 768 H TYR 102 HN TYR 102 -7.419 -3.031 6.621 769 HA TYR 102 HA TYR 102 -8.997 -0.757 6.048 770 HB2 TYR 102 HB2 TYR 102 -6.698 -2.061 4.861 771 HB3 TYR 102 HB3 TYR 102 -7.840 -1.780 3.593 772 HD1 TYR 102 HD2 TYR 102 -9.106 0.752 4.089 773 HD2 TYR 102 HD1 TYR 102 -5.028 -0.439 4.890 774 HE1 TYR 102 HE2 TYR 102 -8.363 3.122 3.919 775 HE2 TYR 102 HE1 TYR 102 -4.315 1.950 4.660 776 HH TYR 102 HH TYR 102 -5.029 4.090 3.842 777 H LEU 103 HN LEU 103 -9.390 -4.161 5.000 778 HA LEU 103 HA LEU 103 -11.504 -3.656 3.107 779 HB2 LEU 103 HB2 LEU 103 -10.744 -6.064 4.789 780 HB3 LEU 103 HB3 LEU 103 -12.138 -6.058 3.723 781 HG LEU 103 HG LEU 103 -9.273 -5.491 2.775 782 HD11 LEU 103 HD11 LEU 103 -10.854 -8.091 2.806 783 HD12 LEU 103 HD12 LEU 103 -9.324 -7.734 3.643 784 HD13 LEU 103 HD13 LEU 103 -9.360 -7.847 1.882 785 HD21 LEU 103 HD21 LEU 103 -10.163 -6.016 0.562 786 HD22 LEU 103 HD22 LEU 103 -10.983 -4.613 1.268 787 HD23 LEU 103 HD23 LEU 103 -11.782 -6.206 1.264 788 H ALA 104 HN ALA 104 -11.467 -4.415 6.642 789 HA ALA 104 HA ALA 104 -14.238 -4.589 6.951 790 HB1 ALA 104 HB1 ALA 104 -12.231 -3.544 8.993 791 HB2 ALA 104 HB2 ALA 104 -13.819 -4.259 9.310 792 HB3 ALA 104 HB3 ALA 104 -12.515 -5.264 8.612 793 H GLU 105 HN GLU 105 -12.141 -1.679 7.358 794 HA GLU 105 HA GLU 105 -14.173 0.229 7.778 795 HB2 GLU 105 HB2 GLU 105 -11.358 0.204 6.830 796 HB3 GLU 105 HB3 GLU 105 -12.308 1.543 6.218 797 HG2 GLU 105 HG2 GLU 105 -12.634 1.120 9.138 798 HG3 GLU 105 HG3 GLU 105 -10.999 1.496 8.604 799 H LEU 106 HN LEU 106 -12.792 -0.851 4.605 800 HA LEU 106 HA LEU 106 -14.671 0.707 3.033 801 HB2 LEU 106 HB2 LEU 106 -12.341 -0.947 2.583 802 HB3 LEU 106 HB3 LEU 106 -13.574 -1.691 1.690 803 HG LEU 106 HG LEU 106 -12.730 -0.290 0.038 804 HD11 LEU 106 HD11 LEU 106 -14.416 1.862 1.266 805 HD12 LEU 106 HD12 LEU 106 -15.149 0.454 0.495 806 HD13 LEU 106 HD13 LEU 106 -14.112 1.519 -0.441 807 HD21 LEU 106 HD21 LEU 106 -12.283 1.852 2.125 808 HD22 LEU 106 HD22 LEU 106 -11.697 1.884 0.489 809 HD23 LEU 106 HD23 LEU 106 -11.027 0.708 1.632 810 H ALA 107 HN ALA 107 -15.282 -1.968 4.858 811 HA ALA 107 HA ALA 107 -17.627 -2.733 3.160 812 HB1 ALA 107 HB1 ALA 107 -16.355 -4.647 3.807 813 HB2 ALA 107 HB2 ALA 107 -16.256 -4.123 5.484 814 HB3 ALA 107 HB3 ALA 107 -17.828 -4.619 4.812 815 H SER 108 HN SER 108 -16.687 -1.396 6.371 816 HA SER 108 HA SER 108 -19.392 -1.189 7.306 817 HB2 SER 108 HB2 SER 108 -17.168 -1.296 8.634 818 HB3 SER 108 HB3 SER 108 -17.038 0.447 8.303 819 HG SER 108 HG SER 108 -18.701 -1.005 9.953 820 H ALA 109 HN ALA 109 -17.099 1.124 5.852 821 HA ALA 109 HA ALA 109 -18.475 3.476 6.294 822 HB1 ALA 109 HB1 ALA 109 -16.888 4.380 4.613 823 HB2 ALA 109 HB2 ALA 109 -16.096 3.292 5.756 824 HB3 ALA 109 HB3 ALA 109 -16.477 2.733 4.111 825 H GLY 110 HN GLY 110 -19.634 1.125 4.098 826 HA2 GLY 110 HA2 GLY 110 -21.272 1.286 2.477 827 HA3 GLY 110 HA1 GLY 110 -21.433 2.998 2.850 828 H LYS 111 HN LYS 111 -18.121 2.379 2.096 829 HA LYS 111 HA LYS 111 -18.568 3.419 -0.674 830 HB2 LYS 111 HB2 LYS 111 -15.994 3.222 0.890 831 HB3 LYS 111 HB3 LYS 111 -16.219 4.031 -0.648 832 HG2 LYS 111 HG2 LYS 111 -17.449 4.918 2.003 833 HG3 LYS 111 HG3 LYS 111 -15.967 5.554 1.288 834 HD2 LYS 111 HD2 LYS 111 -17.307 6.200 -0.766 835 HD3 LYS 111 HD3 LYS 111 -18.783 5.767 0.127 836 HE2 LYS 111 HE2 LYS 111 -18.321 7.404 1.840 837 HE3 LYS 111 HE3 LYS 111 -16.688 7.691 1.229 838 HZ1 LYS 111 HZ1 LYS 111 -17.548 8.737 -0.677 839 HZ2 LYS 111 HZ2 LYS 111 -18.292 9.405 0.618 840 HZ3 LYS 111 HZ3 LYS 111 -19.106 8.347 -0.346 841 H SER 112 HN SER 112 -16.666 2.448 -2.156 842 HA SER 112 HA SER 112 -16.206 -0.450 -1.603 843 HB2 SER 112 HB2 SER 112 -17.722 0.874 -3.815 844 HB3 SER 112 HB3 SER 112 -16.987 -0.733 -3.937 845 HG SER 112 HG SER 112 -18.494 -1.555 -2.857 846 H ARG 113 HN ARG 113 -14.733 -1.448 -3.028 847 HA ARG 113 HA ARG 113 -12.465 0.307 -3.571 848 HB2 ARG 113 HB2 ARG 113 -12.989 -2.559 -4.480 849 HB3 ARG 113 HB3 ARG 113 -11.464 -1.660 -4.649 850 HG2 ARG 113 HG2 ARG 113 -11.473 -1.476 -2.081 851 HG3 ARG 113 HG3 ARG 113 -12.758 -2.654 -2.099 852 HD2 ARG 113 HD2 ARG 113 -10.833 -3.709 -3.910 853 HD3 ARG 113 HD3 ARG 113 -9.871 -3.071 -2.584 854 HE ARG 113 HE ARG 113 -11.905 -4.448 -1.347 855 HH11 ARG 113 HH11 ARG 113 -9.438 -5.424 -3.741 856 HH12 ARG 113 HH12 ARG 113 -9.650 -7.100 -3.488 857 HH21 ARG 113 HH21 ARG 113 -12.366 -6.613 -1.167 858 HH22 ARG 113 HH22 ARG 113 -11.466 -7.810 -2.052 859 H ASP 114 HN ASP 114 -15.222 -1.008 -5.437 860 HA ASP 114 HA ASP 114 -14.015 0.036 -7.923 861 HB2 ASP 114 HB2 ASP 114 -16.152 -1.785 -7.475 862 HB3 ASP 114 HB3 ASP 114 -16.888 -0.330 -8.143 863 HA PRO 115 HA PRO 115 -14.866 4.093 -7.011 864 HB2 PRO 115 HB2 PRO 115 -15.117 5.312 -9.472 865 HB3 PRO 115 HB3 PRO 115 -13.614 4.572 -8.846 866 HG2 PRO 115 HG2 PRO 115 -15.638 3.300 -10.712 867 HG3 PRO 115 HG3 PRO 115 -13.855 3.412 -10.912 868 HD2 PRO 115 HD2 PRO 115 -15.074 1.238 -9.905 869 HD3 PRO 115 HD3 PRO 115 -13.501 1.774 -9.240 870 H ASP 116 HN ASP 116 -17.350 2.428 -8.679 871 HA ASP 116 HA ASP 116 -19.398 4.174 -7.480 872 HB2 ASP 116 HB2 ASP 116 -18.842 5.024 -9.821 873 HB3 ASP 116 HB3 ASP 116 -19.590 3.543 -10.447 874 H GLU 117 HN GLU 117 -18.451 1.513 -6.903 875 HA GLU 117 HA GLU 117 -20.048 -0.611 -7.880 876 HB2 GLU 117 HB2 GLU 117 -17.928 -0.371 -6.179 877 HB3 GLU 117 HB3 GLU 117 -19.236 -0.430 -5.016 878 HG2 GLU 117 HG2 GLU 117 -19.968 -2.594 -6.027 879 HG3 GLU 117 HG3 GLU 117 -18.510 -2.569 -7.037 880 H SER 118 HN SER 118 -22.089 -1.451 -7.158 881 HA SER 118 HA SER 118 -23.550 -0.053 -5.009 882 HB2 SER 118 HB2 SER 118 -24.464 -0.313 -7.899 883 HB3 SER 118 HB3 SER 118 -25.505 0.174 -6.546 884 HG SER 118 HG SER 118 -24.257 1.850 -7.946 885 H VAL 119 HN VAL 119 -22.982 -2.175 -3.966 886 HA VAL 119 HA VAL 119 -24.825 -4.372 -4.816 887 HB VAL 119 HB VAL 119 -21.971 -4.709 -3.805 888 HG11 VAL 119 HG11 VAL 119 -23.974 -6.653 -5.037 889 HG12 VAL 119 HG12 VAL 119 -22.282 -7.021 -4.617 890 HG13 VAL 119 HG13 VAL 119 -23.444 -6.634 -3.344 891 HG21 VAL 119 HG21 VAL 119 -23.020 -4.873 -6.653 892 HG22 VAL 119 HG22 VAL 119 -21.854 -3.707 -6.024 893 HG23 VAL 119 HG23 VAL 119 -21.399 -5.400 -6.102 894 H VAL 120 HN VAL 120 -26.334 -3.494 -3.195 895 HA VAL 120 HA VAL 120 -25.491 -2.959 -0.529 896 HB VAL 120 HB VAL 120 -27.990 -2.942 -0.107 897 HG11 VAL 120 HG11 VAL 120 -26.665 -0.925 -0.467 898 HG12 VAL 120 HG12 VAL 120 -26.797 -1.109 -2.222 899 HG13 VAL 120 HG13 VAL 120 -28.243 -0.761 -1.250 900 HG21 VAL 120 HG21 VAL 120 -28.704 -4.343 -2.105 901 HG22 VAL 120 HG22 VAL 120 -29.535 -2.790 -1.941 902 HG23 VAL 120 HG23 VAL 120 -28.253 -2.976 -3.137 903 H LYS 121 HN LYS 121 -24.433 -4.646 0.441 904 HA LYS 121 HA LYS 121 -26.098 -7.019 1.106 905 HB2 LYS 121 HB2 LYS 121 -23.218 -6.849 0.110 906 HB3 LYS 121 HB3 LYS 121 -23.735 -8.215 1.102 907 HG2 LYS 121 HG2 LYS 121 -25.122 -7.418 -1.472 908 HG3 LYS 121 HG3 LYS 121 -23.836 -8.621 -1.388 909 HD2 LYS 121 HD2 LYS 121 -25.164 -10.221 -0.430 910 HD3 LYS 121 HD3 LYS 121 -26.024 -9.077 0.594 911 HE2 LYS 121 HE2 LYS 121 -27.098 -8.214 -1.636 912 HE3 LYS 121 HE3 LYS 121 -26.539 -9.746 -2.310 913 HZ1 LYS 121 HZ1 LYS 121 -28.731 -9.980 -1.519 914 HZ2 LYS 121 HZ2 LYS 121 -28.380 -9.371 -0.026 915 HZ3 LYS 121 HZ3 LYS 121 -27.784 -10.853 -0.515 916 H LEU 122 HN LEU 122 -25.457 -8.160 3.010 917 HA LEU 122 HA LEU 122 -23.960 -6.586 5.009 918 HB2 LEU 122 HB2 LEU 122 -26.583 -8.096 5.370 919 HB3 LEU 122 HB3 LEU 122 -25.418 -7.914 6.673 920 HG LEU 122 HG LEU 122 -25.491 -5.407 6.341 921 HD11 LEU 122 HD11 LEU 122 -27.625 -4.519 5.361 922 HD12 LEU 122 HD12 LEU 122 -27.956 -6.137 4.695 923 HD13 LEU 122 HD13 LEU 122 -26.551 -5.188 4.155 924 HD21 LEU 122 HD21 LEU 122 -27.542 -5.163 7.670 925 HD22 LEU 122 HD22 LEU 122 -26.590 -6.544 8.219 926 HD23 LEU 122 HD23 LEU 122 -28.043 -6.812 7.228 927 H MET 123 HN MET 123 -22.549 -7.853 6.193 928 HA MET 123 HA MET 123 -22.535 -10.772 5.910 929 HB2 MET 123 HB2 MET 123 -20.246 -10.950 5.179 930 HB3 MET 123 HB3 MET 123 -21.215 -10.090 3.989 931 HG2 MET 123 HG2 MET 123 -20.290 -7.926 5.004 932 HG3 MET 123 HG3 MET 123 -19.152 -8.927 5.893 933 HE1 MET 123 HE1 MET 123 -18.718 -6.475 3.465 934 HE2 MET 123 HE2 MET 123 -17.521 -7.090 4.626 935 HE3 MET 123 HE3 MET 123 -17.173 -7.115 2.884 936 H LEU 124 HN LEU 124 -21.855 -7.935 7.704 937 HA LEU 124 HA LEU 124 -21.054 -7.479 9.723 938 HB2 LEU 124 HB2 LEU 124 -22.577 -10.060 10.101 939 HB3 LEU 124 HB3 LEU 124 -21.860 -9.236 11.478 940 HG LEU 124 HG LEU 124 -23.418 -7.443 9.683 941 HD11 LEU 124 HD11 LEU 124 -24.875 -9.605 11.221 942 HD12 LEU 124 HD12 LEU 124 -24.872 -9.332 9.480 943 HD13 LEU 124 HD13 LEU 124 -25.608 -8.125 10.545 944 HD21 LEU 124 HD21 LEU 124 -24.217 -6.561 11.837 945 HD22 LEU 124 HD22 LEU 124 -22.461 -6.637 11.752 946 HD23 LEU 124 HD23 LEU 124 -23.339 -7.856 12.694 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 21.558 -4.114 10.636 2 HA2 GLY 1 HA2 GLY 1 19.975 -2.089 12.109 3 HA3 GLY 1 HA1 GLY 1 21.571 -1.777 11.376 4 H MET 2 HN MET 2 18.873 -0.564 10.784 5 HA MET 2 HA MET 2 17.512 -0.006 9.112 6 HB2 MET 2 HB2 MET 2 18.270 0.735 7.183 7 HB3 MET 2 HB3 MET 2 19.598 0.952 8.321 8 HG2 MET 2 HG2 MET 2 19.473 -1.562 6.718 9 HG3 MET 2 HG3 MET 2 19.758 -0.034 5.908 10 HE1 MET 2 HE1 MET 2 21.688 1.721 7.037 11 HE2 MET 2 HE2 MET 2 23.304 1.003 6.825 12 HE3 MET 2 HE3 MET 2 22.150 0.945 5.499 13 H ARG 3 HN ARG 3 16.601 -0.676 6.789 14 HA ARG 3 HA ARG 3 16.217 -3.603 6.578 15 HB2 ARG 3 HB2 ARG 3 14.146 -1.377 6.848 16 HB3 ARG 3 HB3 ARG 3 13.734 -2.897 6.082 17 HG2 ARG 3 HG2 ARG 3 14.898 -3.067 8.817 18 HG3 ARG 3 HG3 ARG 3 13.250 -2.504 8.612 19 HD2 ARG 3 HD2 ARG 3 12.529 -4.412 7.525 20 HD3 ARG 3 HD3 ARG 3 14.097 -5.081 7.212 21 HE ARG 3 HE ARG 3 12.600 -5.105 9.743 22 HH11 ARG 3 HH11 ARG 3 15.873 -5.779 8.255 23 HH12 ARG 3 HH12 ARG 3 16.290 -6.750 9.627 24 HH21 ARG 3 HH21 ARG 3 13.395 -6.356 11.484 25 HH22 ARG 3 HH22 ARG 3 15.006 -7.020 11.404 26 H ILE 4 HN ILE 4 18.022 -2.749 4.860 27 HA ILE 4 HA ILE 4 16.712 -1.416 2.574 28 HB ILE 4 HB ILE 4 19.535 -2.418 2.933 29 HG12 ILE 4 HG12 ILE 4 18.659 0.492 2.632 30 HG13 ILE 4 HG13 ILE 4 18.587 -0.271 4.194 31 HG21 ILE 4 HG21 ILE 4 18.946 -2.465 0.520 32 HG22 ILE 4 HG22 ILE 4 18.241 -0.837 0.624 33 HG23 ILE 4 HG23 ILE 4 19.978 -1.079 0.805 34 HD11 ILE 4 HD11 ILE 4 21.113 -0.148 2.500 35 HD12 ILE 4 HD12 ILE 4 20.707 0.916 3.848 36 HD13 ILE 4 HD13 ILE 4 20.978 -0.823 4.122 37 HA PRO 5 HA PRO 5 15.836 -5.524 0.964 38 HB2 PRO 5 HB2 PRO 5 14.814 -4.843 -1.519 39 HB3 PRO 5 HB3 PRO 5 13.887 -4.649 -0.011 40 HG2 PRO 5 HG2 PRO 5 15.503 -2.574 -1.508 41 HG3 PRO 5 HG3 PRO 5 13.861 -2.419 -0.788 42 HD2 PRO 5 HD2 PRO 5 16.100 -1.490 0.439 43 HD3 PRO 5 HD3 PRO 5 14.736 -2.179 1.367 44 H SER 6 HN SER 6 16.443 -6.961 -0.643 45 HA SER 6 HA SER 6 18.544 -6.150 -2.608 46 HB2 SER 6 HB2 SER 6 18.416 -8.715 -0.976 47 HB3 SER 6 HB3 SER 6 19.618 -8.273 -2.198 48 HG SER 6 HG SER 6 19.795 -7.873 0.298 49 H ALA 7 HN ALA 7 15.455 -7.441 -2.185 50 HA ALA 7 HA ALA 7 15.496 -8.685 -4.863 51 HB1 ALA 7 HB1 ALA 7 15.247 -10.580 -3.285 52 HB2 ALA 7 HB2 ALA 7 14.061 -9.647 -2.354 53 HB3 ALA 7 HB3 ALA 7 13.639 -10.197 -3.971 54 H ILE 8 HN ILE 8 15.120 -6.430 -5.383 55 HA ILE 8 HA ILE 8 12.421 -5.399 -4.757 56 HB ILE 8 HB ILE 8 14.719 -4.563 -6.597 57 HG12 ILE 8 HG12 ILE 8 15.302 -4.049 -4.324 58 HG13 ILE 8 HG13 ILE 8 14.894 -2.556 -5.158 59 HG21 ILE 8 HG21 ILE 8 11.988 -3.355 -6.331 60 HG22 ILE 8 HG22 ILE 8 13.396 -2.422 -6.924 61 HG23 ILE 8 HG23 ILE 8 12.882 -3.875 -7.786 62 HD11 ILE 8 HD11 ILE 8 13.829 -2.361 -3.083 63 HD12 ILE 8 HD12 ILE 8 12.513 -2.851 -4.148 64 HD13 ILE 8 HD13 ILE 8 13.284 -4.076 -3.110 65 H GLN 9 HN GLN 9 10.667 -5.987 -5.855 66 HA GLN 9 HA GLN 9 10.897 -6.363 -8.724 67 HB2 GLN 9 HB2 GLN 9 9.853 -8.494 -6.826 68 HB3 GLN 9 HB3 GLN 9 9.161 -8.261 -8.467 69 HG2 GLN 9 HG2 GLN 9 11.519 -8.432 -9.321 70 HG3 GLN 9 HG3 GLN 9 11.976 -9.019 -7.701 71 HE21 GLN 9 HE21 GLN 9 11.084 -11.146 -6.989 72 HE22 GLN 9 HE22 GLN 9 10.345 -12.219 -8.138 73 H LEU 10 HN LEU 10 9.426 -4.968 -9.596 74 HA LEU 10 HA LEU 10 7.096 -4.123 -7.968 75 HB2 LEU 10 HB2 LEU 10 6.916 -2.304 -9.271 76 HB3 LEU 10 HB3 LEU 10 8.646 -2.516 -9.265 77 HG LEU 10 HG LEU 10 6.806 -3.282 -11.578 78 HD11 LEU 10 HD11 LEU 10 6.976 -0.822 -11.182 79 HD12 LEU 10 HD12 LEU 10 7.656 -1.347 -12.737 80 HD13 LEU 10 HD13 LEU 10 8.738 -0.960 -11.396 81 HD21 LEU 10 HD21 LEU 10 8.849 -3.474 -12.906 82 HD22 LEU 10 HD22 LEU 10 8.806 -4.649 -11.594 83 HD23 LEU 10 HD23 LEU 10 9.830 -3.195 -11.445 84 H HIS 11 HN HIS 11 7.814 -6.568 -10.053 85 HA HIS 11 HA HIS 11 6.887 -7.690 -11.757 86 HB2 HIS 11 HB2 HIS 11 4.682 -7.756 -9.700 87 HB3 HIS 11 HB3 HIS 11 4.841 -8.783 -11.129 88 HD1 HIS 11 HD1 HIS 11 6.586 -10.695 -11.161 89 HD2 HIS 11 HD2 HIS 11 6.600 -8.315 -7.679 90 HE1 HIS 11 HE1 HIS 11 7.923 -11.961 -9.420 91 H LYS 12 HN LYS 12 6.964 -6.043 -13.357 92 HA LYS 12 HA LYS 12 4.683 -4.388 -13.963 93 HB2 LYS 12 HB2 LYS 12 7.145 -5.271 -15.371 94 HB3 LYS 12 HB3 LYS 12 5.815 -4.741 -16.389 95 HG2 LYS 12 HG2 LYS 12 6.499 -2.977 -14.049 96 HG3 LYS 12 HG3 LYS 12 7.697 -3.091 -15.321 97 HD2 LYS 12 HD2 LYS 12 5.765 -2.549 -16.987 98 HD3 LYS 12 HD3 LYS 12 4.816 -2.151 -15.559 99 HE2 LYS 12 HE2 LYS 12 5.727 -0.127 -16.484 100 HE3 LYS 12 HE3 LYS 12 6.493 -0.428 -14.922 101 HZ1 LYS 12 HZ1 LYS 12 8.077 0.268 -16.541 102 HZ2 LYS 12 HZ2 LYS 12 7.703 -0.941 -17.583 103 HZ3 LYS 12 HZ3 LYS 12 8.428 -1.289 -16.149 104 H ALA 13 HN ALA 13 5.081 -7.823 -14.262 105 HA ALA 13 HA ALA 13 3.230 -8.555 -16.173 106 HB1 ALA 13 HB1 ALA 13 3.797 -9.782 -13.438 107 HB2 ALA 13 HB2 ALA 13 2.897 -10.573 -14.742 108 HB3 ALA 13 HB3 ALA 13 4.602 -10.166 -14.980 109 H SER 14 HN SER 14 2.357 -8.101 -12.629 110 HA SER 14 HA SER 14 -0.429 -7.506 -13.446 111 HB2 SER 14 HB2 SER 14 0.346 -9.960 -12.596 112 HB3 SER 14 HB3 SER 14 0.140 -9.167 -11.023 113 HG SER 14 HG SER 14 -1.713 -9.886 -12.947 114 H LYS 15 HN LYS 15 2.140 -6.083 -12.124 115 HA LYS 15 HA LYS 15 2.523 -4.351 -10.841 116 HB2 LYS 15 HB2 LYS 15 -0.455 -3.898 -10.609 117 HB3 LYS 15 HB3 LYS 15 0.842 -2.759 -10.450 118 HG2 LYS 15 HG2 LYS 15 0.698 -2.261 -12.598 119 HG3 LYS 15 HG3 LYS 15 1.186 -3.858 -13.073 120 HD2 LYS 15 HD2 LYS 15 -1.030 -4.624 -13.374 121 HD3 LYS 15 HD3 LYS 15 -1.693 -3.439 -12.251 122 HE2 LYS 15 HE2 LYS 15 -0.996 -1.637 -13.853 123 HE3 LYS 15 HE3 LYS 15 -0.765 -2.897 -15.084 124 HZ1 LYS 15 HZ1 LYS 15 -3.295 -2.427 -13.584 125 HZ2 LYS 15 HZ2 LYS 15 -3.099 -3.485 -14.815 126 HZ3 LYS 15 HZ3 LYS 15 -3.032 -1.882 -15.101 127 H THR 16 HN THR 16 3.032 -6.501 -9.503 128 HA THR 16 HA THR 16 1.842 -6.130 -6.802 129 HB THR 16 HB THR 16 3.375 -8.492 -7.993 130 HG1 THR 16 HG1 THR 16 0.585 -8.490 -7.549 131 HG21 THR 16 HG21 THR 16 1.698 -8.323 -5.470 132 HG22 THR 16 HG22 THR 16 3.469 -8.533 -5.585 133 HG23 THR 16 HG23 THR 16 2.384 -9.802 -6.183 134 H LEU 17 HN LEU 17 3.163 -5.329 -5.251 135 HA LEU 17 HA LEU 17 6.012 -4.784 -5.950 136 HB2 LEU 17 HB2 LEU 17 4.690 -2.859 -5.222 137 HB3 LEU 17 HB3 LEU 17 4.188 -3.717 -3.761 138 HG LEU 17 HG LEU 17 6.514 -3.707 -2.929 139 HD11 LEU 17 HD11 LEU 17 8.283 -2.430 -3.939 140 HD12 LEU 17 HD12 LEU 17 7.271 -2.074 -5.373 141 HD13 LEU 17 HD13 LEU 17 7.811 -3.733 -5.018 142 HD21 LEU 17 HD21 LEU 17 5.055 -1.859 -2.337 143 HD22 LEU 17 HD22 LEU 17 5.325 -1.064 -3.884 144 HD23 LEU 17 HD23 LEU 17 6.632 -1.154 -2.689 145 H THR 18 HN THR 18 7.574 -6.107 -5.055 146 HA THR 18 HA THR 18 6.670 -8.047 -2.998 147 HB THR 18 HB THR 18 8.195 -8.321 -5.573 148 HG1 THR 18 HG1 THR 18 6.107 -9.988 -4.778 149 HG21 THR 18 HG21 THR 18 8.520 -10.707 -5.043 150 HG22 THR 18 HG22 THR 18 7.897 -10.432 -3.396 151 HG23 THR 18 HG23 THR 18 9.415 -9.674 -3.931 152 H LEU 19 HN LEU 19 7.945 -8.304 -1.311 153 HA LEU 19 HA LEU 19 10.563 -6.951 -1.163 154 HB2 LEU 19 HB2 LEU 19 8.158 -6.508 0.641 155 HB3 LEU 19 HB3 LEU 19 9.767 -6.140 1.148 156 HG LEU 19 HG LEU 19 8.314 -4.843 -1.198 157 HD11 LEU 19 HD11 LEU 19 7.574 -4.196 1.089 158 HD12 LEU 19 HD12 LEU 19 8.310 -2.861 0.203 159 HD13 LEU 19 HD13 LEU 19 9.235 -3.696 1.478 160 HD21 LEU 19 HD21 LEU 19 11.126 -4.272 -0.143 161 HD22 LEU 19 HD22 LEU 19 10.222 -3.258 -1.298 162 HD23 LEU 19 HD23 LEU 19 10.689 -4.875 -1.770 163 H ARG 20 HN ARG 20 11.945 -8.380 -0.497 164 HA ARG 20 HA ARG 20 11.037 -10.903 0.711 165 HB2 ARG 20 HB2 ARG 20 12.744 -10.795 -1.068 166 HB3 ARG 20 HB3 ARG 20 13.813 -9.863 0.002 167 HG2 ARG 20 HG2 ARG 20 13.355 -11.983 1.633 168 HG3 ARG 20 HG3 ARG 20 12.928 -12.708 0.076 169 HD2 ARG 20 HD2 ARG 20 15.221 -11.806 -0.737 170 HD3 ARG 20 HD3 ARG 20 15.549 -11.491 1.003 171 HE ARG 20 HE ARG 20 14.713 -14.055 0.957 172 HH11 ARG 20 HH11 ARG 20 17.230 -12.288 -0.850 173 HH12 ARG 20 HH12 ARG 20 18.399 -13.532 -0.757 174 HH21 ARG 20 HH21 ARG 20 16.412 -15.829 1.039 175 HH22 ARG 20 HH22 ARG 20 17.864 -15.576 0.119 176 H TYR 21 HN TYR 21 10.246 -10.044 2.757 177 HA TYR 21 HA TYR 21 11.986 -8.543 4.528 178 HB2 TYR 21 HB2 TYR 21 9.478 -8.491 4.607 179 HB3 TYR 21 HB3 TYR 21 9.521 -10.145 5.185 180 HD1 TYR 21 HD1 TYR 21 10.331 -6.603 6.075 181 HD2 TYR 21 HD2 TYR 21 10.079 -10.667 7.518 182 HE1 TYR 21 HE1 TYR 21 10.642 -5.792 8.375 183 HE2 TYR 21 HE2 TYR 21 10.381 -9.863 9.822 184 HH TYR 21 HH TYR 21 10.238 -7.754 11.213 185 H GLY 22 HN GLY 22 13.939 -9.772 4.442 186 HA2 GLY 22 HA2 GLY 22 15.452 -10.965 5.707 187 HA3 GLY 22 HA1 GLY 22 14.125 -11.686 6.631 188 H GLU 23 HN GLU 23 13.473 -13.716 6.133 189 HA GLU 23 HA GLU 23 14.704 -15.144 3.883 190 HB2 GLU 23 HB2 GLU 23 13.161 -15.856 6.438 191 HB3 GLU 23 HB3 GLU 23 13.866 -17.045 5.367 192 HG2 GLU 23 HG2 GLU 23 15.422 -14.917 6.934 193 HG3 GLU 23 HG3 GLU 23 15.171 -16.563 7.442 194 H ASP 24 HN ASP 24 11.760 -13.638 4.681 195 HA ASP 24 HA ASP 24 9.975 -15.667 3.471 196 HB2 ASP 24 HB2 ASP 24 9.530 -13.114 5.076 197 HB3 ASP 24 HB3 ASP 24 8.232 -13.990 4.291 198 H SER 25 HN SER 25 8.141 -14.538 2.067 199 HA SER 25 HA SER 25 9.099 -12.288 0.440 200 HB2 SER 25 HB2 SER 25 7.747 -13.795 -1.333 201 HB3 SER 25 HB3 SER 25 9.510 -13.860 -1.148 202 HG SER 25 HG SER 25 7.766 -15.565 0.291 203 H TYR 26 HN TYR 26 7.519 -10.777 0.411 204 HA TYR 26 HA TYR 26 4.712 -11.741 0.598 205 HB2 TYR 26 HB2 TYR 26 5.690 -9.221 1.941 206 HB3 TYR 26 HB3 TYR 26 4.078 -9.919 1.998 207 HD1 TYR 26 HD1 TYR 26 3.979 -12.443 2.895 208 HD2 TYR 26 HD2 TYR 26 7.180 -9.687 3.639 209 HE1 TYR 26 HE1 TYR 26 4.649 -13.804 4.878 210 HE2 TYR 26 HE2 TYR 26 7.721 -10.942 5.780 211 HH TYR 26 HH TYR 26 6.800 -14.082 6.387 212 H ASP 27 HN ASP 27 3.344 -10.849 -0.720 213 HA ASP 27 HA ASP 27 4.419 -9.206 -2.952 214 HB2 ASP 27 HB2 ASP 27 2.606 -11.661 -2.863 215 HB3 ASP 27 HB3 ASP 27 2.990 -10.752 -4.317 216 H LEU 28 HN LEU 28 3.368 -7.237 -2.554 217 HA LEU 28 HA LEU 28 0.540 -7.376 -1.673 218 HB2 LEU 28 HB2 LEU 28 2.088 -4.854 -1.619 219 HB3 LEU 28 HB3 LEU 28 0.844 -5.395 -0.527 220 HG LEU 28 HG LEU 28 3.748 -6.131 -0.665 221 HD11 LEU 28 HD11 LEU 28 4.028 -4.960 1.345 222 HD12 LEU 28 HD12 LEU 28 2.294 -5.036 1.731 223 HD13 LEU 28 HD13 LEU 28 2.896 -3.994 0.417 224 HD21 LEU 28 HD21 LEU 28 3.751 -7.602 1.165 225 HD22 LEU 28 HD22 LEU 28 2.473 -8.229 0.135 226 HD23 LEU 28 HD23 LEU 28 2.069 -7.303 1.569 227 HA PRO 29 HA PRO 29 -0.624 -5.681 -5.620 228 HB2 PRO 29 HB2 PRO 29 -2.972 -4.423 -5.001 229 HB3 PRO 29 HB3 PRO 29 -2.830 -6.187 -5.091 230 HG2 PRO 29 HG2 PRO 29 -2.810 -4.418 -2.663 231 HG3 PRO 29 HG3 PRO 29 -3.646 -5.980 -2.863 232 HD2 PRO 29 HD2 PRO 29 -1.220 -5.700 -1.580 233 HD3 PRO 29 HD3 PRO 29 -1.672 -7.184 -2.462 234 H ALA 30 HN ALA 30 -0.790 -3.576 -6.704 235 HA ALA 30 HA ALA 30 0.715 -1.515 -5.509 236 HB1 ALA 30 HB1 ALA 30 -1.338 -1.359 -7.781 237 HB2 ALA 30 HB2 ALA 30 -0.116 -0.128 -7.420 238 HB3 ALA 30 HB3 ALA 30 0.385 -1.750 -7.951 239 H GLU 31 HN GLU 31 -2.811 -2.034 -5.725 240 HA GLU 31 HA GLU 31 -3.746 0.354 -4.728 241 HB2 GLU 31 HB2 GLU 31 -5.803 -0.642 -4.323 242 HB3 GLU 31 HB3 GLU 31 -5.139 -1.515 -5.668 243 HG2 GLU 31 HG2 GLU 31 -4.514 -2.927 -3.136 244 HG3 GLU 31 HG3 GLU 31 -6.159 -2.479 -3.147 245 H PHE 32 HN PHE 32 -2.387 -2.288 -2.822 246 HA PHE 32 HA PHE 32 -3.438 -1.537 -0.295 247 HB2 PHE 32 HB2 PHE 32 -2.582 -3.707 -0.534 248 HB3 PHE 32 HB3 PHE 32 -1.059 -3.147 -1.220 249 HD1 PHE 32 HD2 PHE 32 -3.040 -3.289 1.956 250 HD2 PHE 32 HD1 PHE 32 0.891 -2.573 0.158 251 HE1 PHE 32 HE2 PHE 32 -1.985 -3.477 4.161 252 HE2 PHE 32 HE1 PHE 32 1.867 -2.884 2.320 253 HZ PHE 32 HZ PHE 32 0.506 -3.310 4.366 254 H LEU 33 HN LEU 33 -0.248 -0.775 -1.778 255 HA LEU 33 HA LEU 33 0.609 0.882 0.398 256 HB2 LEU 33 HB2 LEU 33 1.508 0.616 -2.474 257 HB3 LEU 33 HB3 LEU 33 2.394 1.490 -1.202 258 HG LEU 33 HG LEU 33 3.405 -0.545 -1.317 259 HD11 LEU 33 HD11 LEU 33 3.301 -0.070 0.862 260 HD12 LEU 33 HD12 LEU 33 3.128 -1.803 0.661 261 HD13 LEU 33 HD13 LEU 33 1.718 -0.766 1.053 262 HD21 LEU 33 HD21 LEU 33 2.327 -1.549 -2.955 263 HD22 LEU 33 HD22 LEU 33 1.028 -2.087 -1.878 264 HD23 LEU 33 HD23 LEU 33 2.692 -2.683 -1.662 265 H ARG 34 HN ARG 34 -0.893 1.596 -2.715 266 HA ARG 34 HA ARG 34 -1.015 4.448 -2.385 267 HB2 ARG 34 HB2 ARG 34 -1.628 3.565 -4.480 268 HB3 ARG 34 HB3 ARG 34 -2.861 2.519 -3.799 269 HG2 ARG 34 HG2 ARG 34 -3.716 4.491 -5.076 270 HG3 ARG 34 HG3 ARG 34 -4.379 4.277 -3.463 271 HD2 ARG 34 HD2 ARG 34 -3.978 6.638 -4.097 272 HD3 ARG 34 HD3 ARG 34 -3.231 6.166 -2.601 273 HE ARG 34 HE ARG 34 -1.626 6.253 -5.105 274 HH11 ARG 34 HH11 ARG 34 -2.335 7.789 -1.916 275 HH12 ARG 34 HH12 ARG 34 -1.048 8.933 -2.104 276 HH21 ARG 34 HH21 ARG 34 0.005 7.858 -5.247 277 HH22 ARG 34 HH22 ARG 34 0.385 8.829 -3.836 278 H VAL 35 HN VAL 35 -3.450 1.996 -1.075 279 HA VAL 35 HA VAL 35 -4.809 4.208 0.205 280 HB VAL 35 HB VAL 35 -6.152 2.609 1.341 281 HG11 VAL 35 HG11 VAL 35 -6.496 3.302 -1.073 282 HG12 VAL 35 HG12 VAL 35 -5.754 1.784 -1.568 283 HG13 VAL 35 HG13 VAL 35 -7.249 1.773 -0.619 284 HG21 VAL 35 HG21 VAL 35 -6.051 0.224 1.058 285 HG22 VAL 35 HG22 VAL 35 -4.569 0.352 0.100 286 HG23 VAL 35 HG23 VAL 35 -4.557 0.774 1.825 287 H HIS 36 HN HIS 36 -2.287 1.949 1.440 288 HA HIS 36 HA HIS 36 -2.313 3.332 4.027 289 HB2 HIS 36 HB2 HIS 36 -1.830 0.788 3.503 290 HB3 HIS 36 HB3 HIS 36 -0.197 1.353 3.259 291 HD1 HIS 36 HD1 HIS 36 -0.286 3.585 5.680 292 HD2 HIS 36 HD2 HIS 36 -1.606 -0.407 5.858 293 HE1 HIS 36 HE1 HIS 36 -0.151 2.881 8.132 294 H SER 37 HN SER 37 -1.956 5.284 2.176 295 HA SER 37 HA SER 37 0.968 5.894 2.167 296 HB2 SER 37 HB2 SER 37 0.125 5.605 -0.049 297 HB3 SER 37 HB3 SER 37 -1.168 6.786 0.248 298 HG SER 37 HG SER 37 0.424 8.367 0.537 299 HA PRO 38 HA PRO 38 -0.443 9.409 4.768 300 HB2 PRO 38 HB2 PRO 38 1.936 9.229 6.261 301 HB3 PRO 38 HB3 PRO 38 0.316 8.684 6.802 302 HG2 PRO 38 HG2 PRO 38 2.657 7.082 6.057 303 HG3 PRO 38 HG3 PRO 38 1.142 6.566 6.850 304 HD2 PRO 38 HD2 PRO 38 1.935 6.312 4.059 305 HD3 PRO 38 HD3 PRO 38 0.485 5.655 4.850 306 H SER 39 HN SER 39 0.213 11.229 3.593 307 HA SER 39 HA SER 39 2.677 11.272 2.031 308 HB2 SER 39 HB2 SER 39 0.844 12.665 1.344 309 HB3 SER 39 HB3 SER 39 0.806 13.495 2.912 310 HG SER 39 HG SER 39 1.987 14.504 1.063 311 H ALA 40 HN ALA 40 4.338 12.919 2.686 312 HA ALA 40 HA ALA 40 5.153 12.817 5.493 313 HB1 ALA 40 HB1 ALA 40 6.901 14.386 4.712 314 HB2 ALA 40 HB2 ALA 40 6.805 12.911 3.718 315 HB3 ALA 40 HB3 ALA 40 6.104 14.430 3.116 316 H GLU 41 HN GLU 41 2.799 14.626 3.757 317 HA GLU 41 HA GLU 41 2.883 17.012 5.419 318 HB2 GLU 41 HB2 GLU 41 0.752 15.916 3.528 319 HB3 GLU 41 HB3 GLU 41 0.776 17.551 4.211 320 HG2 GLU 41 HG2 GLU 41 2.795 18.090 2.946 321 HG3 GLU 41 HG3 GLU 41 2.791 16.477 2.229 322 H VAL 42 HN VAL 42 2.624 14.462 6.851 323 HA VAL 42 HA VAL 42 -0.108 14.817 7.989 324 HB VAL 42 HB VAL 42 0.881 12.048 7.315 325 HG11 VAL 42 HG11 VAL 42 -1.446 11.491 7.854 326 HG12 VAL 42 HG12 VAL 42 -0.773 12.450 9.190 327 HG13 VAL 42 HG13 VAL 42 -1.854 13.225 8.039 328 HG21 VAL 42 HG21 VAL 42 -1.028 13.803 5.716 329 HG22 VAL 42 HG22 VAL 42 0.559 13.224 5.179 330 HG23 VAL 42 HG23 VAL 42 -0.740 12.057 5.463 331 H GLN 43 HN GLN 43 2.696 12.627 8.645 332 HA GLN 43 HA GLN 43 3.179 11.561 10.561 333 HB2 GLN 43 HB2 GLN 43 4.231 13.090 12.226 334 HB3 GLN 43 HB3 GLN 43 4.830 13.091 10.574 335 HG2 GLN 43 HG2 GLN 43 2.728 15.071 11.106 336 HG3 GLN 43 HG3 GLN 43 4.206 15.345 12.027 337 HE21 GLN 43 HE21 GLN 43 2.718 16.361 9.314 338 HE22 GLN 43 HE22 GLN 43 4.045 16.542 8.183 339 H GLY 44 HN GLY 44 0.465 11.496 10.408 340 HA2 GLY 44 HA2 GLY 44 -1.469 11.195 11.574 341 HA3 GLY 44 HA1 GLY 44 -0.466 10.939 12.999 342 H HIS 45 HN HIS 45 -0.956 13.906 11.004 343 HA HIS 45 HA HIS 45 -2.378 15.237 13.250 344 HB2 HIS 45 HB2 HIS 45 -0.937 16.375 10.808 345 HB3 HIS 45 HB3 HIS 45 -2.019 17.290 11.839 346 HD1 HIS 45 HD1 HIS 45 -0.511 18.880 13.183 347 HD2 HIS 45 HD2 HIS 45 1.047 15.004 12.713 348 HE1 HIS 45 HE1 HIS 45 1.529 18.780 14.648 349 H GLY 46 HN GLY 46 -4.528 15.124 12.992 350 HA2 GLY 46 HA2 GLY 46 -6.399 15.906 11.699 351 HA3 GLY 46 HA1 GLY 46 -5.700 15.162 10.255 352 H ASN 47 HN ASN 47 -8.269 14.669 11.360 353 HA ASN 47 HA ASN 47 -8.567 12.215 12.739 354 HB2 ASN 47 HB2 ASN 47 -10.849 12.220 11.681 355 HB3 ASN 47 HB3 ASN 47 -10.420 13.775 12.357 356 HD21 ASN 47 HD21 ASN 47 -10.551 11.956 9.166 357 HD22 ASN 47 HD22 ASN 47 -10.799 13.447 8.276 358 HA PRO 48 HA PRO 48 -7.471 9.185 9.630 359 HB2 PRO 48 HB2 PRO 48 -9.367 7.209 9.870 360 HB3 PRO 48 HB3 PRO 48 -8.069 7.472 11.073 361 HG2 PRO 48 HG2 PRO 48 -10.931 8.458 11.173 362 HG3 PRO 48 HG3 PRO 48 -9.996 7.653 12.473 363 HD2 PRO 48 HD2 PRO 48 -10.278 10.341 12.349 364 HD3 PRO 48 HD3 PRO 48 -8.747 9.619 12.911 365 H VAL 49 HN VAL 49 -8.084 8.564 7.548 366 HA VAL 49 HA VAL 49 -10.678 9.323 6.454 367 HB VAL 49 HB VAL 49 -8.053 10.394 5.339 368 HG11 VAL 49 HG11 VAL 49 -9.451 11.549 3.611 369 HG12 VAL 49 HG12 VAL 49 -9.413 9.808 3.403 370 HG13 VAL 49 HG13 VAL 49 -10.848 10.583 4.129 371 HG21 VAL 49 HG21 VAL 49 -9.268 12.625 5.636 372 HG22 VAL 49 HG22 VAL 49 -10.545 11.752 6.484 373 HG23 VAL 49 HG23 VAL 49 -8.896 11.799 7.147 374 H LEU 50 HN LEU 50 -10.977 8.275 4.339 375 HA LEU 50 HA LEU 50 -9.530 5.701 4.057 376 HB2 LEU 50 HB2 LEU 50 -11.665 5.532 5.390 377 HB3 LEU 50 HB3 LEU 50 -12.486 6.425 4.129 378 HG LEU 50 HG LEU 50 -12.043 4.541 2.540 379 HD11 LEU 50 HD11 LEU 50 -10.119 3.434 3.418 380 HD12 LEU 50 HD12 LEU 50 -11.437 2.312 3.769 381 HD13 LEU 50 HD13 LEU 50 -10.773 3.359 5.036 382 HD21 LEU 50 HD21 LEU 50 -14.100 4.911 3.830 383 HD22 LEU 50 HD22 LEU 50 -13.474 3.860 5.132 384 HD23 LEU 50 HD23 LEU 50 -13.802 3.218 3.515 385 H GLN 51 HN GLN 51 -9.247 5.042 1.975 386 HA GLN 51 HA GLN 51 -9.879 6.998 -0.157 387 HB2 GLN 51 HB2 GLN 51 -7.492 5.148 -0.229 388 HB3 GLN 51 HB3 GLN 51 -7.747 6.660 -1.046 389 HG2 GLN 51 HG2 GLN 51 -6.073 6.992 0.624 390 HG3 GLN 51 HG3 GLN 51 -7.524 7.823 1.185 391 HE21 GLN 51 HE21 GLN 51 -6.868 7.685 3.405 392 HE22 GLN 51 HE22 GLN 51 -7.109 6.177 4.278 393 H TYR 52 HN TYR 52 -11.825 5.950 -0.802 394 HA TYR 52 HA TYR 52 -11.689 3.123 -1.688 395 HB2 TYR 52 HB2 TYR 52 -14.066 3.348 -2.018 396 HB3 TYR 52 HB3 TYR 52 -13.676 3.752 -0.408 397 HD1 TYR 52 HD2 TYR 52 -13.662 6.304 0.166 398 HD2 TYR 52 HD1 TYR 52 -15.090 4.812 -3.622 399 HE1 TYR 52 HE2 TYR 52 -14.786 8.482 -0.272 400 HE2 TYR 52 HE1 TYR 52 -16.212 6.939 -4.062 401 HH TYR 52 HH TYR 52 -16.282 9.171 -3.417 402 H GLY 53 HN GLY 53 -13.089 2.904 -3.850 403 HA2 GLY 53 HA2 GLY 53 -13.437 3.294 -6.036 404 HA3 GLY 53 HA1 GLY 53 -13.026 4.987 -5.759 405 H LYS 54 HN LYS 54 -10.431 2.987 -4.799 406 HA LYS 54 HA LYS 54 -8.919 3.895 -7.193 407 HB2 LYS 54 HB2 LYS 54 -8.727 4.499 -4.401 408 HB3 LYS 54 HB3 LYS 54 -7.398 3.406 -4.717 409 HG2 LYS 54 HG2 LYS 54 -6.750 5.744 -4.906 410 HG3 LYS 54 HG3 LYS 54 -6.524 4.912 -6.449 411 HD2 LYS 54 HD2 LYS 54 -8.347 6.019 -7.461 412 HD3 LYS 54 HD3 LYS 54 -9.088 6.469 -5.921 413 HE2 LYS 54 HE2 LYS 54 -7.737 8.307 -5.628 414 HE3 LYS 54 HE3 LYS 54 -6.330 7.504 -6.330 415 HZ1 LYS 54 HZ1 LYS 54 -7.004 9.247 -7.756 416 HZ2 LYS 54 HZ2 LYS 54 -8.552 8.667 -7.888 417 HZ3 LYS 54 HZ3 LYS 54 -7.277 7.857 -8.521 418 H LEU 55 HN LEU 55 -10.165 1.075 -6.164 419 HA LEU 55 HA LEU 55 -7.977 -0.617 -5.695 420 HB2 LEU 55 HB2 LEU 55 -10.539 -0.797 -5.434 421 HB3 LEU 55 HB3 LEU 55 -10.564 -1.495 -7.025 422 HG LEU 55 HG LEU 55 -10.759 -3.034 -5.137 423 HD11 LEU 55 HD11 LEU 55 -9.423 -4.754 -5.869 424 HD12 LEU 55 HD12 LEU 55 -8.170 -3.673 -6.516 425 HD13 LEU 55 HD13 LEU 55 -9.758 -3.743 -7.293 426 HD21 LEU 55 HD21 LEU 55 -9.141 -1.871 -3.520 427 HD22 LEU 55 HD22 LEU 55 -7.857 -2.520 -4.518 428 HD23 LEU 55 HD23 LEU 55 -8.953 -3.632 -3.660 429 H ASN 56 HN ASN 56 -9.350 0.428 -8.832 430 HA ASN 56 HA ASN 56 -8.149 -1.763 -10.309 431 HB2 ASN 56 HB2 ASN 56 -9.824 0.547 -11.014 432 HB3 ASN 56 HB3 ASN 56 -8.527 0.306 -12.163 433 HD21 ASN 56 HD21 ASN 56 -10.829 -1.719 -10.285 434 HD22 ASN 56 HD22 ASN 56 -11.226 -2.788 -11.605 435 H VAL 57 HN VAL 57 -6.667 0.846 -8.769 436 HA VAL 57 HA VAL 57 -4.828 1.776 -10.611 437 HB VAL 57 HB VAL 57 -5.249 2.719 -8.377 438 HG11 VAL 57 HG11 VAL 57 -5.125 0.523 -7.074 439 HG12 VAL 57 HG12 VAL 57 -3.371 0.617 -7.219 440 HG13 VAL 57 HG13 VAL 57 -4.268 1.905 -6.368 441 HG21 VAL 57 HG21 VAL 57 -3.156 3.132 -9.792 442 HG22 VAL 57 HG22 VAL 57 -3.092 3.610 -8.074 443 HG23 VAL 57 HG23 VAL 57 -2.292 2.118 -8.643 444 H GLY 58 HN GLY 58 -3.055 1.110 -11.530 445 HA2 GLY 58 HA2 GLY 58 -1.704 -1.323 -10.471 446 HA3 GLY 58 HA1 GLY 58 -1.543 -0.710 -12.133 447 H LEU 59 HN LEU 59 0.593 -1.179 -10.366 448 HA LEU 59 HA LEU 59 1.828 1.306 -9.544 449 HB2 LEU 59 HB2 LEU 59 2.426 -1.484 -9.441 450 HB3 LEU 59 HB3 LEU 59 3.601 -0.834 -10.560 451 HG LEU 59 HG LEU 59 4.386 -1.029 -8.217 452 HD11 LEU 59 HD11 LEU 59 4.266 1.712 -9.449 453 HD12 LEU 59 HD12 LEU 59 5.586 0.525 -9.555 454 HD13 LEU 59 HD13 LEU 59 5.200 1.377 -8.029 455 HD21 LEU 59 HD21 LEU 59 2.223 -0.371 -7.095 456 HD22 LEU 59 HD22 LEU 59 2.562 1.317 -7.556 457 HD23 LEU 59 HD23 LEU 59 3.654 0.435 -6.473 458 H VAL 60 HN VAL 60 3.386 2.446 -10.747 459 HA VAL 60 HA VAL 60 3.516 1.935 -13.674 460 HB VAL 60 HB VAL 60 3.991 4.612 -13.595 461 HG11 VAL 60 HG11 VAL 60 1.453 4.787 -14.159 462 HG12 VAL 60 HG12 VAL 60 2.451 3.697 -15.138 463 HG13 VAL 60 HG13 VAL 60 1.429 3.034 -13.859 464 HG21 VAL 60 HG21 VAL 60 3.483 4.776 -11.166 465 HG22 VAL 60 HG22 VAL 60 2.451 5.789 -12.183 466 HG23 VAL 60 HG23 VAL 60 1.824 4.270 -11.508 467 H GLY 61 HN GLY 61 5.218 3.111 -10.742 468 HA2 GLY 61 HA2 GLY 61 7.694 1.923 -11.521 469 HA3 GLY 61 HA1 GLY 61 7.677 3.641 -11.966 470 H VAL 62 HN VAL 62 9.582 2.850 -10.374 471 HA VAL 62 HA VAL 62 9.238 3.531 -7.632 472 HB VAL 62 HB VAL 62 10.260 1.133 -7.367 473 HG11 VAL 62 HG11 VAL 62 8.085 0.224 -6.667 474 HG12 VAL 62 HG12 VAL 62 8.175 1.936 -6.241 475 HG13 VAL 62 HG13 VAL 62 7.257 1.425 -7.664 476 HG21 VAL 62 HG21 VAL 62 8.349 0.529 -9.613 477 HG22 VAL 62 HG22 VAL 62 10.128 0.419 -9.711 478 HG23 VAL 62 HG23 VAL 62 9.218 -0.603 -8.593 479 H GLU 63 HN GLU 63 11.164 4.394 -7.020 480 HA GLU 63 HA GLU 63 13.626 3.103 -7.890 481 HB2 GLU 63 HB2 GLU 63 13.177 6.083 -8.293 482 HB3 GLU 63 HB3 GLU 63 14.754 5.348 -8.257 483 HG2 GLU 63 HG2 GLU 63 13.865 3.741 -10.095 484 HG3 GLU 63 HG3 GLU 63 12.561 4.910 -10.301 485 HA PRO 64 HA PRO 64 14.625 3.835 -3.617 486 HB2 PRO 64 HB2 PRO 64 17.371 3.893 -3.679 487 HB3 PRO 64 HB3 PRO 64 16.397 2.401 -3.838 488 HG2 PRO 64 HG2 PRO 64 17.680 4.063 -6.008 489 HG3 PRO 64 HG3 PRO 64 17.622 2.277 -5.862 490 HD2 PRO 64 HD2 PRO 64 15.909 3.738 -7.461 491 HD3 PRO 64 HD3 PRO 64 15.429 2.197 -6.695 492 H ALA 65 HN ALA 65 13.974 5.747 -2.981 493 HA ALA 65 HA ALA 65 14.738 8.290 -4.081 494 HB1 ALA 65 HB1 ALA 65 13.249 9.200 -2.392 495 HB2 ALA 65 HB2 ALA 65 12.505 7.766 -3.092 496 HB3 ALA 65 HB3 ALA 65 13.253 7.666 -1.496 497 H GLY 66 HN GLY 66 17.091 7.981 -3.838 498 HA2 GLY 66 HA2 GLY 66 18.999 8.996 -2.925 499 HA3 GLY 66 HA1 GLY 66 18.076 9.437 -1.486 500 H GLN 67 HN GLN 67 18.351 8.219 0.284 501 HA GLN 67 HA GLN 67 19.712 5.573 0.102 502 HB2 GLN 67 HB2 GLN 67 20.730 7.921 1.746 503 HB3 GLN 67 HB3 GLN 67 21.440 6.303 1.655 504 HG2 GLN 67 HG2 GLN 67 21.867 6.636 -0.775 505 HG3 GLN 67 HG3 GLN 67 21.241 8.285 -0.655 506 HE21 GLN 67 HE21 GLN 67 22.344 9.438 1.509 507 HE22 GLN 67 HE22 GLN 67 24.088 9.425 1.384 508 H TYR 68 HN TYR 68 16.978 6.681 0.966 509 HA TYR 68 HA TYR 68 16.849 5.470 3.653 510 HB2 TYR 68 HB2 TYR 68 15.843 7.640 4.569 511 HB3 TYR 68 HB3 TYR 68 17.572 7.516 4.371 512 HD1 TYR 68 HD2 TYR 68 18.799 8.839 2.707 513 HD2 TYR 68 HD1 TYR 68 14.536 9.242 3.181 514 HE1 TYR 68 HE2 TYR 68 18.848 10.869 1.316 515 HE2 TYR 68 HE1 TYR 68 14.611 11.376 1.910 516 HH TYR 68 HH TYR 68 17.573 12.995 1.022 517 H ALA 69 HN ALA 69 15.264 5.898 0.683 518 HA ALA 69 HA ALA 69 12.778 4.927 1.778 519 HB1 ALA 69 HB1 ALA 69 12.293 7.218 2.266 520 HB2 ALA 69 HB2 ALA 69 13.010 7.796 0.751 521 HB3 ALA 69 HB3 ALA 69 11.464 6.932 0.738 522 H LEU 70 HN LEU 70 11.081 4.879 -0.175 523 HA LEU 70 HA LEU 70 12.507 4.462 -2.765 524 HB2 LEU 70 HB2 LEU 70 11.876 2.324 -1.381 525 HB3 LEU 70 HB3 LEU 70 10.232 2.647 -1.939 526 HG LEU 70 HG LEU 70 12.681 2.327 -3.738 527 HD11 LEU 70 HD11 LEU 70 11.910 0.095 -4.222 528 HD12 LEU 70 HD12 LEU 70 10.448 0.316 -3.228 529 HD13 LEU 70 HD13 LEU 70 12.051 0.242 -2.485 530 HD21 LEU 70 HD21 LEU 70 9.705 2.341 -4.428 531 HD22 LEU 70 HD22 LEU 70 11.062 2.039 -5.551 532 HD23 LEU 70 HD23 LEU 70 10.867 3.617 -4.825 533 H LYS 71 HN LYS 71 11.634 5.790 -4.278 534 HA LYS 71 HA LYS 71 9.166 7.226 -3.646 535 HB2 LYS 71 HB2 LYS 71 11.363 8.193 -4.888 536 HB3 LYS 71 HB3 LYS 71 10.593 7.520 -6.296 537 HG2 LYS 71 HG2 LYS 71 9.579 9.628 -6.229 538 HG3 LYS 71 HG3 LYS 71 8.402 8.705 -5.328 539 HD2 LYS 71 HD2 LYS 71 9.766 9.336 -3.215 540 HD3 LYS 71 HD3 LYS 71 10.573 10.541 -4.216 541 HE2 LYS 71 HE2 LYS 71 7.547 10.382 -3.870 542 HE3 LYS 71 HE3 LYS 71 8.586 11.299 -2.779 543 HZ1 LYS 71 HZ1 LYS 71 7.578 12.630 -4.582 544 HZ2 LYS 71 HZ2 LYS 71 8.483 11.830 -5.688 545 HZ3 LYS 71 HZ3 LYS 71 9.204 12.740 -4.556 546 H LEU 72 HN LEU 72 7.562 5.893 -3.777 547 HA LEU 72 HA LEU 72 7.115 3.979 -6.002 548 HB2 LEU 72 HB2 LEU 72 5.650 4.724 -3.431 549 HB3 LEU 72 HB3 LEU 72 4.785 3.906 -4.722 550 HG LEU 72 HG LEU 72 7.425 2.712 -4.001 551 HD11 LEU 72 HD11 LEU 72 5.005 2.393 -2.197 552 HD12 LEU 72 HD12 LEU 72 6.553 3.140 -1.769 553 HD13 LEU 72 HD13 LEU 72 6.472 1.409 -2.144 554 HD21 LEU 72 HD21 LEU 72 6.402 0.711 -4.677 555 HD22 LEU 72 HD22 LEU 72 5.745 1.911 -5.788 556 HD23 LEU 72 HD23 LEU 72 4.745 1.327 -4.433 557 H SER 73 HN SER 73 5.316 4.158 -7.481 558 HA SER 73 HA SER 73 3.836 6.699 -7.535 559 HB2 SER 73 HB2 SER 73 5.144 5.370 -9.920 560 HB3 SER 73 HB3 SER 73 4.225 6.841 -9.975 561 HG SER 73 HG SER 73 6.369 7.240 -10.075 562 H PHE 74 HN PHE 74 1.691 6.335 -8.338 563 HA PHE 74 HA PHE 74 0.909 3.526 -8.939 564 HB2 PHE 74 HB2 PHE 74 -0.639 5.167 -6.912 565 HB3 PHE 74 HB3 PHE 74 -0.805 3.479 -7.318 566 HD1 PHE 74 HD2 PHE 74 1.297 5.959 -5.506 567 HD2 PHE 74 HD1 PHE 74 0.673 1.775 -6.327 568 HE1 PHE 74 HE2 PHE 74 2.696 5.339 -3.540 569 HE2 PHE 74 HE1 PHE 74 2.024 1.186 -4.376 570 HZ PHE 74 HZ PHE 74 2.987 2.975 -2.922 571 H ASP 75 HN ASP 75 -0.326 3.561 -10.669 572 HA ASP 75 HA ASP 75 -0.554 5.862 -12.202 573 HB2 ASP 75 HB2 ASP 75 -0.518 3.603 -13.169 574 HB3 ASP 75 HB3 ASP 75 -2.030 3.226 -12.369 575 H ASP 76 HN ASP 76 -2.848 4.923 -9.839 576 HA ASP 76 HA ASP 76 -4.597 7.112 -10.828 577 HB2 ASP 76 HB2 ASP 76 -5.647 4.835 -11.135 578 HB3 ASP 76 HB3 ASP 76 -5.700 4.696 -9.376 579 H GLY 77 HN GLY 77 -2.544 7.858 -9.483 580 HA2 GLY 77 HA2 GLY 77 -3.957 8.991 -7.200 581 HA3 GLY 77 HA1 GLY 77 -2.552 8.045 -6.733 582 H HIS 78 HN HIS 78 -2.531 10.516 -6.000 583 HA HIS 78 HA HIS 78 -1.370 12.422 -7.828 584 HB2 HIS 78 HB2 HIS 78 -1.247 13.885 -5.929 585 HB3 HIS 78 HB3 HIS 78 -2.780 13.043 -5.905 586 HD1 HIS 78 HD1 HIS 78 -1.677 14.335 -3.202 587 HD2 HIS 78 HD2 HIS 78 -1.321 10.328 -4.452 588 HE1 HIS 78 HE1 HIS 78 -1.187 12.927 -1.098 589 H ASP 79 HN ASP 79 0.179 9.698 -6.852 590 HA ASP 79 HA ASP 79 2.245 9.085 -6.079 591 HB2 ASP 79 HB2 ASP 79 2.995 11.126 -8.203 592 HB3 ASP 79 HB3 ASP 79 4.119 9.966 -7.472 593 H SER 80 HN SER 80 4.691 10.814 -5.921 594 HA SER 80 HA SER 80 5.808 11.919 -4.350 595 HB2 SER 80 HB2 SER 80 4.008 13.545 -5.665 596 HB3 SER 80 HB3 SER 80 3.777 14.035 -3.988 597 HG SER 80 HG SER 80 5.516 14.930 -5.512 598 H GLY 81 HN GLY 81 4.745 9.843 -3.176 599 HA2 GLY 81 HA2 GLY 81 4.103 10.657 -0.374 600 HA3 GLY 81 HA1 GLY 81 3.674 9.089 -1.078 601 H LEU 82 HN LEU 82 5.982 10.730 0.669 602 HA LEU 82 HA LEU 82 8.413 9.324 0.121 603 HB2 LEU 82 HB2 LEU 82 7.615 11.412 1.694 604 HB3 LEU 82 HB3 LEU 82 7.596 10.134 2.906 605 HG LEU 82 HG LEU 82 10.011 10.831 1.205 606 HD11 LEU 82 HD11 LEU 82 9.201 11.772 3.986 607 HD12 LEU 82 HD12 LEU 82 9.383 12.764 2.523 608 HD13 LEU 82 HD13 LEU 82 10.802 12.011 3.265 609 HD21 LEU 82 HD21 LEU 82 11.241 9.710 3.111 610 HD22 LEU 82 HD22 LEU 82 10.260 8.610 2.154 611 HD23 LEU 82 HD23 LEU 82 9.682 9.163 3.743 612 H PHE 83 HN PHE 83 9.124 7.274 1.011 613 HA PHE 83 HA PHE 83 7.465 5.903 3.018 614 HB2 PHE 83 HB2 PHE 83 8.034 4.862 0.213 615 HB3 PHE 83 HB3 PHE 83 7.729 3.806 1.580 616 HD1 PHE 83 HD1 PHE 83 5.601 4.086 2.936 617 HD2 PHE 83 HD2 PHE 83 6.146 5.711 -1.009 618 HE1 PHE 83 HE1 PHE 83 3.140 4.049 2.580 619 HE2 PHE 83 HE2 PHE 83 3.698 5.719 -1.341 620 HZ PHE 83 HZ PHE 83 2.185 4.890 0.490 621 H THR 84 HN THR 84 9.100 5.751 4.573 622 HA THR 84 HA THR 84 11.847 5.402 3.868 623 HB THR 84 HB THR 84 10.551 4.909 6.563 624 HG1 THR 84 HG1 THR 84 10.663 7.058 6.932 625 HG21 THR 84 HG21 THR 84 12.599 5.842 7.491 626 HG22 THR 84 HG22 THR 84 13.227 6.234 5.879 627 HG23 THR 84 HG23 THR 84 13.025 4.552 6.366 628 H TRP 85 HN TRP 85 13.222 3.588 4.403 629 HA TRP 85 HA TRP 85 12.424 1.148 3.441 630 HB2 TRP 85 HB2 TRP 85 14.730 1.884 5.293 631 HB3 TRP 85 HB3 TRP 85 14.552 0.309 4.568 632 HD1 TRP 85 HD1 TRP 85 16.665 3.005 3.981 633 HE1 TRP 85 HE1 TRP 85 17.384 3.250 1.559 634 HE3 TRP 85 HE3 TRP 85 13.098 0.034 1.810 635 HZ2 TRP 85 HZ2 TRP 85 16.415 2.313 -1.100 636 HZ3 TRP 85 HZ3 TRP 85 13.032 -0.274 -0.610 637 HH2 TRP 85 HH2 TRP 85 14.718 0.829 -2.076 638 H ASP 86 HN ASP 86 12.518 2.012 6.919 639 HA ASP 86 HA ASP 86 11.860 -0.604 7.935 640 HB2 ASP 86 HB2 ASP 86 11.240 0.564 9.970 641 HB3 ASP 86 HB3 ASP 86 12.791 1.129 9.397 642 H TYR 87 HN TYR 87 9.910 2.303 7.223 643 HA TYR 87 HA TYR 87 7.459 1.133 7.898 644 HB2 TYR 87 HB2 TYR 87 7.852 3.548 7.657 645 HB3 TYR 87 HB3 TYR 87 8.075 3.361 5.925 646 HD1 TYR 87 HD2 TYR 87 5.351 1.595 7.850 647 HD2 TYR 87 HD1 TYR 87 6.360 4.950 5.292 648 HE1 TYR 87 HE2 TYR 87 2.995 2.005 7.460 649 HE2 TYR 87 HE1 TYR 87 3.954 5.376 4.921 650 HH TYR 87 HH TYR 87 1.531 3.052 6.024 651 H LEU 88 HN LEU 88 9.196 1.056 4.781 652 HA LEU 88 HA LEU 88 7.074 -0.130 3.261 653 HB2 LEU 88 HB2 LEU 88 10.097 -0.131 2.948 654 HB3 LEU 88 HB3 LEU 88 9.041 -0.951 1.801 655 HG LEU 88 HG LEU 88 8.773 2.000 2.504 656 HD11 LEU 88 HD11 LEU 88 10.169 0.739 0.115 657 HD12 LEU 88 HD12 LEU 88 10.939 1.610 1.458 658 HD13 LEU 88 HD13 LEU 88 9.856 2.476 0.375 659 HD21 LEU 88 HD21 LEU 88 7.394 0.188 0.499 660 HD22 LEU 88 HD22 LEU 88 7.520 1.940 0.226 661 HD23 LEU 88 HD23 LEU 88 6.699 1.343 1.654 662 H TYR 89 HN TYR 89 9.870 -1.661 4.914 663 HA TYR 89 HA TYR 89 8.980 -4.364 4.293 664 HB2 TYR 89 HB2 TYR 89 11.213 -3.030 5.709 665 HB3 TYR 89 HB3 TYR 89 10.776 -4.595 6.303 666 HD1 TYR 89 HD2 TYR 89 10.061 -6.317 3.980 667 HD2 TYR 89 HD1 TYR 89 12.899 -3.054 4.126 668 HE1 TYR 89 HE2 TYR 89 11.364 -7.365 2.290 669 HE2 TYR 89 HE1 TYR 89 14.354 -4.270 2.549 670 HH TYR 89 HH TYR 89 13.571 -7.624 1.511 671 H GLU 90 HN GLU 90 8.291 -2.202 7.011 672 HA GLU 90 HA GLU 90 7.112 -4.153 8.713 673 HB2 GLU 90 HB2 GLU 90 7.511 -1.834 9.408 674 HB3 GLU 90 HB3 GLU 90 6.467 -1.230 8.124 675 HG2 GLU 90 HG2 GLU 90 5.194 -1.057 10.060 676 HG3 GLU 90 HG3 GLU 90 4.500 -2.403 9.191 677 H LEU 91 HN LEU 91 5.563 -2.043 6.223 678 HA LEU 91 HA LEU 91 3.006 -3.230 6.275 679 HB2 LEU 91 HB2 LEU 91 4.460 -1.885 3.975 680 HB3 LEU 91 HB3 LEU 91 2.771 -2.347 4.001 681 HG LEU 91 HG LEU 91 4.012 -0.178 5.685 682 HD11 LEU 91 HD11 LEU 91 3.506 0.266 3.238 683 HD12 LEU 91 HD12 LEU 91 2.587 1.277 4.355 684 HD13 LEU 91 HD13 LEU 91 1.810 -0.113 3.565 685 HD21 LEU 91 HD21 LEU 91 1.706 0.310 6.432 686 HD22 LEU 91 HD22 LEU 91 2.263 -1.255 7.035 687 HD23 LEU 91 HD23 LEU 91 1.150 -1.161 5.640 688 H ALA 92 HN ALA 92 5.885 -4.317 4.482 689 HA ALA 92 HA ALA 92 4.781 -6.239 2.755 690 HB1 ALA 92 HB1 ALA 92 7.311 -6.660 4.379 691 HB2 ALA 92 HB2 ALA 92 6.891 -7.346 2.807 692 HB3 ALA 92 HB3 ALA 92 7.215 -5.605 2.947 693 H THR 93 HN THR 93 5.462 -6.660 6.300 694 HA THR 93 HA THR 93 4.349 -9.414 6.017 695 HB THR 93 HB THR 93 6.641 -9.255 6.745 696 HG1 THR 93 HG1 THR 93 6.429 -10.680 8.425 697 HG21 THR 93 HG21 THR 93 7.264 -8.449 8.936 698 HG22 THR 93 HG22 THR 93 5.611 -7.816 9.190 699 HG23 THR 93 HG23 THR 93 6.652 -7.144 7.906 700 H ARG 94 HN ARG 94 3.302 -6.384 6.756 701 HA ARG 94 HA ARG 94 1.360 -7.256 8.849 702 HB2 ARG 94 HB2 ARG 94 2.237 -4.569 7.747 703 HB3 ARG 94 HB3 ARG 94 0.893 -4.743 8.864 704 HG2 ARG 94 HG2 ARG 94 3.684 -5.749 9.549 705 HG3 ARG 94 HG3 ARG 94 3.143 -4.112 9.828 706 HD2 ARG 94 HD2 ARG 94 2.346 -4.856 11.837 707 HD3 ARG 94 HD3 ARG 94 1.032 -5.552 10.919 708 HE ARG 94 HE ARG 94 1.924 -7.678 11.170 709 HH11 ARG 94 HH11 ARG 94 4.467 -5.349 12.197 710 HH12 ARG 94 HH12 ARG 94 5.144 -6.476 13.326 711 HH21 ARG 94 HH21 ARG 94 3.160 -9.203 12.205 712 HH22 ARG 94 HH22 ARG 94 4.643 -8.802 13.002 713 H LYS 95 HN LYS 95 1.541 -6.930 5.428 714 HA LYS 95 HA LYS 95 -0.645 -5.496 4.764 715 HB2 LYS 95 HB2 LYS 95 0.794 -6.337 3.043 716 HB3 LYS 95 HB3 LYS 95 0.357 -8.012 3.397 717 HG2 LYS 95 HG2 LYS 95 -2.073 -7.363 2.685 718 HG3 LYS 95 HG3 LYS 95 -1.383 -5.849 2.158 719 HD2 LYS 95 HD2 LYS 95 -1.714 -7.312 0.287 720 HD3 LYS 95 HD3 LYS 95 0.036 -7.158 0.577 721 HE2 LYS 95 HE2 LYS 95 0.192 -9.294 1.583 722 HE3 LYS 95 HE3 LYS 95 -1.560 -9.427 1.749 723 HZ1 LYS 95 HZ1 LYS 95 0.004 -9.657 -0.756 724 HZ2 LYS 95 HZ2 LYS 95 -1.646 -9.525 -0.720 725 HZ3 LYS 95 HZ3 LYS 95 -0.928 -10.791 -0.002 726 H ASP 96 HN ASP 96 -0.785 -9.037 5.340 727 HA ASP 96 HA ASP 96 -3.414 -9.355 4.583 728 HB2 ASP 96 HB2 ASP 96 -1.535 -10.929 6.295 729 HB3 ASP 96 HB3 ASP 96 -3.243 -11.280 6.519 730 H GLN 97 HN GLN 97 -2.294 -8.525 7.854 731 HA GLN 97 HA GLN 97 -4.919 -8.509 9.033 732 HB2 GLN 97 HB2 GLN 97 -2.835 -8.902 10.276 733 HB3 GLN 97 HB3 GLN 97 -2.257 -7.298 9.883 734 HG2 GLN 97 HG2 GLN 97 -3.093 -7.411 12.180 735 HG3 GLN 97 HG3 GLN 97 -4.069 -6.295 11.235 736 HE21 GLN 97 HE21 GLN 97 -6.324 -6.716 11.052 737 HE22 GLN 97 HE22 GLN 97 -7.097 -8.080 11.821 738 H LEU 98 HN LEU 98 -2.754 -5.927 7.757 739 HA LEU 98 HA LEU 98 -4.383 -3.657 8.363 740 HB2 LEU 98 HB2 LEU 98 -2.210 -4.390 6.388 741 HB3 LEU 98 HB3 LEU 98 -3.068 -2.886 6.161 742 HG LEU 98 HG LEU 98 -2.250 -1.896 8.081 743 HD11 LEU 98 HD11 LEU 98 -1.409 -4.627 9.140 744 HD12 LEU 98 HD12 LEU 98 -2.611 -3.521 9.824 745 HD13 LEU 98 HD13 LEU 98 -0.897 -3.076 9.829 746 HD21 LEU 98 HD21 LEU 98 0.187 -2.184 7.853 747 HD22 LEU 98 HD22 LEU 98 -0.612 -2.266 6.269 748 HD23 LEU 98 HD23 LEU 98 -0.057 -3.747 7.040 749 H TRP 99 HN TRP 99 -4.328 -5.934 5.671 750 HA TRP 99 HA TRP 99 -6.141 -4.458 4.006 751 HB2 TRP 99 HB2 TRP 99 -4.542 -6.220 3.216 752 HB3 TRP 99 HB3 TRP 99 -5.534 -7.445 4.011 753 HD1 TRP 99 HD1 TRP 99 -7.071 -8.599 2.381 754 HE1 TRP 99 HE1 TRP 99 -8.431 -7.974 0.295 755 HE3 TRP 99 HE3 TRP 99 -5.672 -3.685 1.918 756 HZ2 TRP 99 HZ2 TRP 99 -9.022 -5.626 -1.212 757 HZ3 TRP 99 HZ3 TRP 99 -6.680 -2.265 0.152 758 HH2 TRP 99 HH2 TRP 99 -8.370 -3.233 -1.419 759 H ALA 100 HN ALA 100 -6.599 -7.202 6.333 760 HA ALA 100 HA ALA 100 -9.419 -7.299 6.038 761 HB1 ALA 100 HB1 ALA 100 -9.397 -8.556 8.120 762 HB2 ALA 100 HB2 ALA 100 -8.011 -9.060 7.139 763 HB3 ALA 100 HB3 ALA 100 -7.771 -7.966 8.520 764 H ASP 101 HN ASP 101 -7.362 -5.294 8.175 765 HA ASP 101 HA ASP 101 -9.352 -3.900 9.650 766 HB2 ASP 101 HB2 ASP 101 -6.958 -3.845 10.110 767 HB3 ASP 101 HB3 ASP 101 -6.638 -2.993 8.615 768 H TYR 102 HN TYR 102 -7.714 -2.867 6.571 769 HA TYR 102 HA TYR 102 -9.475 -0.717 6.145 770 HB2 TYR 102 HB2 TYR 102 -7.544 -2.303 4.419 771 HB3 TYR 102 HB3 TYR 102 -8.526 -1.057 3.723 772 HD1 TYR 102 HD2 TYR 102 -8.329 0.914 6.280 773 HD2 TYR 102 HD1 TYR 102 -5.409 -1.264 3.944 774 HE1 TYR 102 HE2 TYR 102 -6.651 2.549 6.873 775 HE2 TYR 102 HE1 TYR 102 -3.741 0.486 4.461 776 HH TYR 102 HH TYR 102 -4.515 3.293 6.599 777 H LEU 103 HN LEU 103 -9.848 -4.053 4.985 778 HA LEU 103 HA LEU 103 -12.144 -3.619 3.373 779 HB2 LEU 103 HB2 LEU 103 -11.354 -5.939 5.163 780 HB3 LEU 103 HB3 LEU 103 -12.997 -5.835 4.594 781 HG LEU 103 HG LEU 103 -12.021 -7.323 3.155 782 HD11 LEU 103 HD11 LEU 103 -11.827 -4.741 1.581 783 HD12 LEU 103 HD12 LEU 103 -13.337 -5.632 1.948 784 HD13 LEU 103 HD13 LEU 103 -12.077 -6.386 0.955 785 HD21 LEU 103 HD21 LEU 103 -9.669 -5.493 2.661 786 HD22 LEU 103 HD22 LEU 103 -9.989 -7.104 1.964 787 HD23 LEU 103 HD23 LEU 103 -9.687 -6.952 3.692 788 H ALA 104 HN ALA 104 -11.890 -3.720 6.946 789 HA ALA 104 HA ALA 104 -14.772 -3.645 7.337 790 HB1 ALA 104 HB1 ALA 104 -12.543 -2.950 9.289 791 HB2 ALA 104 HB2 ALA 104 -14.238 -3.210 9.677 792 HB3 ALA 104 HB3 ALA 104 -13.262 -4.563 9.085 793 H GLU 105 HN GLU 105 -12.088 -1.171 7.216 794 HA GLU 105 HA GLU 105 -13.768 1.018 7.801 795 HB2 GLU 105 HB2 GLU 105 -11.258 0.847 6.082 796 HB3 GLU 105 HB3 GLU 105 -12.200 2.302 6.317 797 HG2 GLU 105 HG2 GLU 105 -11.872 1.786 8.888 798 HG3 GLU 105 HG3 GLU 105 -10.478 0.873 8.268 799 H LEU 106 HN LEU 106 -12.869 -0.336 4.580 800 HA LEU 106 HA LEU 106 -14.473 1.433 3.102 801 HB2 LEU 106 HB2 LEU 106 -12.714 -0.728 2.504 802 HB3 LEU 106 HB3 LEU 106 -14.255 -1.180 1.817 803 HG LEU 106 HG LEU 106 -13.079 -0.025 0.063 804 HD11 LEU 106 HD11 LEU 106 -14.531 1.717 -0.471 805 HD12 LEU 106 HD12 LEU 106 -14.980 2.003 1.211 806 HD13 LEU 106 HD13 LEU 106 -15.458 0.496 0.417 807 HD21 LEU 106 HD21 LEU 106 -11.960 1.996 0.195 808 HD22 LEU 106 HD22 LEU 106 -11.430 1.108 1.619 809 HD23 LEU 106 HD23 LEU 106 -12.642 2.397 1.775 810 H ALA 107 HN ALA 107 -15.362 -1.603 4.574 811 HA ALA 107 HA ALA 107 -17.982 -1.830 3.412 812 HB1 ALA 107 HB1 ALA 107 -17.068 -2.761 6.185 813 HB2 ALA 107 HB2 ALA 107 -18.373 -3.431 5.186 814 HB3 ALA 107 HB3 ALA 107 -16.684 -3.643 4.685 815 H SER 108 HN SER 108 -16.870 -0.559 6.576 816 HA SER 108 HA SER 108 -19.556 0.096 7.331 817 HB2 SER 108 HB2 SER 108 -17.057 0.874 8.827 818 HB3 SER 108 HB3 SER 108 -18.658 0.400 9.448 819 HG SER 108 HG SER 108 -16.560 -1.137 8.409 820 H ALA 109 HN ALA 109 -16.971 1.987 5.873 821 HA ALA 109 HA ALA 109 -18.222 4.575 6.438 822 HB1 ALA 109 HB1 ALA 109 -16.117 3.761 4.397 823 HB2 ALA 109 HB2 ALA 109 -16.597 5.422 4.757 824 HB3 ALA 109 HB3 ALA 109 -15.770 4.457 5.998 825 H GLY 110 HN GLY 110 -19.036 1.946 4.381 826 HA2 GLY 110 HA2 GLY 110 -20.694 1.780 2.867 827 HA3 GLY 110 HA1 GLY 110 -21.123 3.457 3.212 828 H LYS 111 HN LYS 111 -18.101 2.113 1.741 829 HA LYS 111 HA LYS 111 -18.835 3.462 -0.833 830 HB2 LYS 111 HB2 LYS 111 -16.023 3.622 0.245 831 HB3 LYS 111 HB3 LYS 111 -16.749 4.511 -1.069 832 HG2 LYS 111 HG2 LYS 111 -17.521 4.992 1.841 833 HG3 LYS 111 HG3 LYS 111 -16.213 5.843 1.044 834 HD2 LYS 111 HD2 LYS 111 -17.591 6.930 -0.473 835 HD3 LYS 111 HD3 LYS 111 -18.902 5.770 -0.333 836 HE2 LYS 111 HE2 LYS 111 -18.109 7.539 2.013 837 HE3 LYS 111 HE3 LYS 111 -19.154 8.089 0.716 838 HZ1 LYS 111 HZ1 LYS 111 -19.722 6.092 2.725 839 HZ2 LYS 111 HZ2 LYS 111 -20.421 5.886 1.267 840 HZ3 LYS 111 HZ3 LYS 111 -20.712 7.259 2.128 841 H SER 112 HN SER 112 -16.730 2.788 -2.328 842 HA SER 112 HA SER 112 -16.186 -0.007 -1.708 843 HB2 SER 112 HB2 SER 112 -17.052 0.845 -4.439 844 HB3 SER 112 HB3 SER 112 -16.896 -0.784 -3.796 845 HG SER 112 HG SER 112 -18.783 -0.500 -2.617 846 H ARG 113 HN ARG 113 -14.214 -0.530 -2.010 847 HA ARG 113 HA ARG 113 -12.136 1.123 -3.147 848 HB2 ARG 113 HB2 ARG 113 -11.123 -1.319 -3.531 849 HB3 ARG 113 HB3 ARG 113 -11.180 -0.579 -1.921 850 HG2 ARG 113 HG2 ARG 113 -12.858 -1.997 -1.211 851 HG3 ARG 113 HG3 ARG 113 -13.415 -2.372 -2.839 852 HD2 ARG 113 HD2 ARG 113 -11.439 -3.744 -3.288 853 HD3 ARG 113 HD3 ARG 113 -10.730 -3.275 -1.726 854 HE ARG 113 HE ARG 113 -12.019 -4.746 -0.695 855 HH11 ARG 113 HH11 ARG 113 -13.199 -4.846 -4.106 856 HH12 ARG 113 HH12 ARG 113 -14.834 -5.200 -3.598 857 HH21 ARG 113 HH21 ARG 113 -14.483 -5.100 -0.203 858 HH22 ARG 113 HH22 ARG 113 -15.471 -5.380 -1.636 859 H ASP 114 HN ASP 114 -14.160 -1.494 -4.411 860 HA ASP 114 HA ASP 114 -12.850 -1.661 -7.005 861 HB2 ASP 114 HB2 ASP 114 -15.003 -2.947 -5.440 862 HB3 ASP 114 HB3 ASP 114 -15.457 -2.715 -7.109 863 HA PRO 115 HA PRO 115 -14.196 2.000 -8.367 864 HB2 PRO 115 HB2 PRO 115 -14.630 1.728 -11.118 865 HB3 PRO 115 HB3 PRO 115 -13.039 1.733 -10.295 866 HG2 PRO 115 HG2 PRO 115 -14.691 -0.674 -11.097 867 HG3 PRO 115 HG3 PRO 115 -12.947 -0.370 -11.395 868 HD2 PRO 115 HD2 PRO 115 -13.761 -1.906 -9.334 869 HD3 PRO 115 HD3 PRO 115 -12.450 -0.714 -9.062 870 H ASP 116 HN ASP 116 -16.490 -0.473 -9.395 871 HA ASP 116 HA ASP 116 -18.702 1.181 -8.484 872 HB2 ASP 116 HB2 ASP 116 -18.501 1.619 -10.936 873 HB3 ASP 116 HB3 ASP 116 -18.785 -0.096 -11.241 874 H GLU 117 HN GLU 117 -17.620 -0.611 -6.999 875 HA GLU 117 HA GLU 117 -18.432 -3.338 -7.286 876 HB2 GLU 117 HB2 GLU 117 -16.955 -1.987 -5.482 877 HB3 GLU 117 HB3 GLU 117 -18.502 -1.929 -4.619 878 HG2 GLU 117 HG2 GLU 117 -18.659 -4.366 -4.668 879 HG3 GLU 117 HG3 GLU 117 -17.168 -4.433 -5.623 880 H SER 118 HN SER 118 -20.494 -4.306 -6.726 881 HA SER 118 HA SER 118 -22.417 -2.759 -5.250 882 HB2 SER 118 HB2 SER 118 -22.871 -3.379 -8.177 883 HB3 SER 118 HB3 SER 118 -24.211 -3.189 -7.026 884 HG SER 118 HG SER 118 -22.157 -1.267 -7.491 885 H VAL 119 HN VAL 119 -22.140 -4.269 -3.756 886 HA VAL 119 HA VAL 119 -23.872 -6.557 -4.047 887 HB VAL 119 HB VAL 119 -21.796 -7.628 -4.531 888 HG11 VAL 119 HG11 VAL 119 -19.780 -7.549 -3.127 889 HG12 VAL 119 HG12 VAL 119 -20.153 -5.973 -3.821 890 HG13 VAL 119 HG13 VAL 119 -20.523 -6.288 -2.114 891 HG21 VAL 119 HG21 VAL 119 -21.596 -9.236 -2.751 892 HG22 VAL 119 HG22 VAL 119 -22.249 -8.096 -1.557 893 HG23 VAL 119 HG23 VAL 119 -23.292 -8.736 -2.845 894 H VAL 120 HN VAL 120 -25.036 -6.747 -2.109 895 HA VAL 120 HA VAL 120 -24.360 -4.894 0.112 896 HB VAL 120 HB VAL 120 -26.751 -6.718 -0.344 897 HG11 VAL 120 HG11 VAL 120 -27.717 -5.528 1.632 898 HG12 VAL 120 HG12 VAL 120 -26.316 -6.508 2.048 899 HG13 VAL 120 HG13 VAL 120 -26.157 -4.742 1.899 900 HG21 VAL 120 HG21 VAL 120 -28.013 -4.642 -0.630 901 HG22 VAL 120 HG22 VAL 120 -26.531 -3.678 -0.435 902 HG23 VAL 120 HG23 VAL 120 -26.740 -4.741 -1.843 903 H LYS 121 HN LYS 121 -22.811 -5.726 1.378 904 HA LYS 121 HA LYS 121 -23.113 -8.566 2.291 905 HB2 LYS 121 HB2 LYS 121 -20.691 -8.737 2.500 906 HB3 LYS 121 HB3 LYS 121 -21.215 -8.520 0.836 907 HG2 LYS 121 HG2 LYS 121 -20.418 -6.285 0.728 908 HG3 LYS 121 HG3 LYS 121 -20.312 -6.124 2.488 909 HD2 LYS 121 HD2 LYS 121 -18.081 -6.338 1.468 910 HD3 LYS 121 HD3 LYS 121 -18.445 -7.643 2.599 911 HE2 LYS 121 HE2 LYS 121 -19.187 -9.021 0.556 912 HE3 LYS 121 HE3 LYS 121 -18.500 -7.743 -0.456 913 HZ1 LYS 121 HZ1 LYS 121 -17.033 -9.356 1.549 914 HZ2 LYS 121 HZ2 LYS 121 -16.350 -8.219 0.565 915 HZ3 LYS 121 HZ3 LYS 121 -17.004 -9.552 -0.105 916 H LEU 122 HN LEU 122 -23.387 -5.405 3.302 917 HA LEU 122 HA LEU 122 -22.874 -6.154 6.111 918 HB2 LEU 122 HB2 LEU 122 -21.126 -4.526 4.977 919 HB3 LEU 122 HB3 LEU 122 -22.453 -3.373 5.038 920 HG LEU 122 HG LEU 122 -22.560 -3.810 7.566 921 HD11 LEU 122 HD11 LEU 122 -20.489 -4.681 8.589 922 HD12 LEU 122 HD12 LEU 122 -19.818 -5.031 6.984 923 HD13 LEU 122 HD13 LEU 122 -21.225 -5.930 7.581 924 HD21 LEU 122 HD21 LEU 122 -21.670 -1.751 6.721 925 HD22 LEU 122 HD22 LEU 122 -20.190 -2.525 6.159 926 HD23 LEU 122 HD23 LEU 122 -20.481 -2.334 7.893 927 H MET 123 HN MET 123 -24.422 -5.045 7.534 928 HA MET 123 HA MET 123 -27.046 -4.853 6.389 929 HB2 MET 123 HB2 MET 123 -26.204 -5.598 8.774 930 HB3 MET 123 HB3 MET 123 -26.224 -3.876 9.136 931 HG2 MET 123 HG2 MET 123 -28.259 -4.726 9.926 932 HG3 MET 123 HG3 MET 123 -28.711 -3.905 8.453 933 HE1 MET 123 HE1 MET 123 -30.628 -4.929 7.227 934 HE2 MET 123 HE2 MET 123 -29.246 -5.214 6.146 935 HE3 MET 123 HE3 MET 123 -30.451 -6.493 6.410 936 H LEU 124 HN LEU 124 -24.592 -2.511 6.160 937 HA LEU 124 HA LEU 124 -26.400 -0.203 6.342 938 HB2 LEU 124 HB2 LEU 124 -25.079 -0.844 8.571 939 HB3 LEU 124 HB3 LEU 124 -23.675 -0.234 7.713 940 HG LEU 124 HG LEU 124 -26.231 1.398 8.028 941 HD11 LEU 124 HD11 LEU 124 -23.822 1.369 9.881 942 HD12 LEU 124 HD12 LEU 124 -25.439 0.747 10.282 943 HD13 LEU 124 HD13 LEU 124 -25.203 2.472 9.981 944 HD21 LEU 124 HD21 LEU 124 -24.602 3.306 7.813 945 HD22 LEU 124 HD22 LEU 124 -24.719 2.313 6.361 946 HD23 LEU 124 HD23 LEU 124 -23.327 2.137 7.457 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 23.916 -2.643 6.687 2 HA2 GLY 1 HA2 GLY 1 24.431 -0.037 5.363 3 HA3 GLY 1 HA1 GLY 1 24.459 -1.603 4.550 4 H MET 2 HN MET 2 22.061 -0.128 6.875 5 HA MET 2 HA MET 2 19.769 0.013 6.749 6 HB2 MET 2 HB2 MET 2 20.933 1.583 4.898 7 HB3 MET 2 HB3 MET 2 19.996 0.580 3.837 8 HG2 MET 2 HG2 MET 2 18.397 2.201 4.313 9 HG3 MET 2 HG3 MET 2 18.089 1.207 5.731 10 HE1 MET 2 HE1 MET 2 19.040 4.514 4.203 11 HE2 MET 2 HE2 MET 2 20.107 5.314 5.369 12 HE3 MET 2 HE3 MET 2 20.704 3.927 4.428 13 H ARG 3 HN ARG 3 17.700 -0.818 5.274 14 HA ARG 3 HA ARG 3 18.180 -3.682 4.604 15 HB2 ARG 3 HB2 ARG 3 15.876 -2.038 5.692 16 HB3 ARG 3 HB3 ARG 3 15.536 -3.556 4.849 17 HG2 ARG 3 HG2 ARG 3 17.411 -3.463 7.227 18 HG3 ARG 3 HG3 ARG 3 15.663 -3.572 7.385 19 HD2 ARG 3 HD2 ARG 3 16.314 -5.767 7.460 20 HD3 ARG 3 HD3 ARG 3 15.709 -5.590 5.821 21 HE ARG 3 HE ARG 3 18.449 -5.120 5.652 22 HH11 ARG 3 HH11 ARG 3 16.587 -7.938 6.956 23 HH12 ARG 3 HH12 ARG 3 17.926 -8.963 6.799 24 HH21 ARG 3 HH21 ARG 3 20.003 -6.691 5.036 25 HH22 ARG 3 HH22 ARG 3 19.871 -8.267 5.725 26 H ILE 4 HN ILE 4 19.117 -3.009 2.467 27 HA ILE 4 HA ILE 4 17.364 -1.294 0.836 28 HB ILE 4 HB ILE 4 20.035 -2.531 0.110 29 HG12 ILE 4 HG12 ILE 4 19.256 0.363 0.735 30 HG13 ILE 4 HG13 ILE 4 20.022 -0.731 1.900 31 HG21 ILE 4 HG21 ILE 4 19.856 -0.953 -1.869 32 HG22 ILE 4 HG22 ILE 4 18.618 -2.197 -1.900 33 HG23 ILE 4 HG23 ILE 4 18.188 -0.568 -1.376 34 HD11 ILE 4 HD11 ILE 4 21.628 0.799 0.999 35 HD12 ILE 4 HD12 ILE 4 22.025 -0.868 0.535 36 HD13 ILE 4 HD13 ILE 4 21.303 0.258 -0.655 37 HA PRO 5 HA PRO 5 15.584 -5.045 -0.834 38 HB2 PRO 5 HB2 PRO 5 13.900 -3.990 -2.712 39 HB3 PRO 5 HB3 PRO 5 13.505 -3.995 -0.968 40 HG2 PRO 5 HG2 PRO 5 14.662 -1.738 -2.598 41 HG3 PRO 5 HG3 PRO 5 13.356 -1.717 -1.361 42 HD2 PRO 5 HD2 PRO 5 15.973 -1.009 -0.846 43 HD3 PRO 5 HD3 PRO 5 14.921 -1.751 0.394 44 H SER 6 HN SER 6 16.252 -6.285 -2.299 45 HA SER 6 HA SER 6 17.503 -5.335 -4.802 46 HB2 SER 6 HB2 SER 6 18.743 -7.156 -2.737 47 HB3 SER 6 HB3 SER 6 19.219 -6.961 -4.435 48 HG SER 6 HG SER 6 19.517 -4.741 -4.045 49 H ALA 7 HN ALA 7 15.017 -6.685 -3.767 50 HA ALA 7 HA ALA 7 14.549 -7.730 -6.431 51 HB1 ALA 7 HB1 ALA 7 14.731 -9.844 -5.212 52 HB2 ALA 7 HB2 ALA 7 13.646 -9.247 -3.937 53 HB3 ALA 7 HB3 ALA 7 13.016 -9.532 -5.574 54 H ILE 8 HN ILE 8 13.375 -5.863 -6.920 55 HA ILE 8 HA ILE 8 10.932 -5.354 -5.288 56 HB ILE 8 HB ILE 8 11.995 -3.804 -7.684 57 HG12 ILE 8 HG12 ILE 8 13.509 -3.343 -5.858 58 HG13 ILE 8 HG13 ILE 8 12.561 -1.939 -6.328 59 HG21 ILE 8 HG21 ILE 8 10.259 -2.126 -7.057 60 HG22 ILE 8 HG22 ILE 8 9.592 -3.677 -7.564 61 HG23 ILE 8 HG23 ILE 8 9.635 -3.265 -5.840 62 HD11 ILE 8 HD11 ILE 8 12.837 -2.080 -3.924 63 HD12 ILE 8 HD12 ILE 8 11.124 -2.204 -4.370 64 HD13 ILE 8 HD13 ILE 8 12.023 -3.676 -3.910 65 H GLN 9 HN GLN 9 9.225 -6.470 -6.030 66 HA GLN 9 HA GLN 9 8.966 -6.986 -8.939 67 HB2 GLN 9 HB2 GLN 9 8.891 -9.000 -6.696 68 HB3 GLN 9 HB3 GLN 9 7.525 -9.025 -7.808 69 HG2 GLN 9 HG2 GLN 9 9.233 -9.071 -9.695 70 HG3 GLN 9 HG3 GLN 9 10.435 -9.481 -8.463 71 HE21 GLN 9 HE21 GLN 9 9.593 -11.476 -6.919 72 HE22 GLN 9 HE22 GLN 9 8.636 -12.669 -7.656 73 H LEU 10 HN LEU 10 7.237 -5.538 -9.430 74 HA LEU 10 HA LEU 10 5.356 -5.014 -7.234 75 HB2 LEU 10 HB2 LEU 10 4.715 -3.136 -8.237 76 HB3 LEU 10 HB3 LEU 10 6.418 -3.167 -8.619 77 HG LEU 10 HG LEU 10 4.139 -3.883 -10.555 78 HD11 LEU 10 HD11 LEU 10 4.679 -1.757 -11.659 79 HD12 LEU 10 HD12 LEU 10 5.903 -1.404 -10.428 80 HD13 LEU 10 HD13 LEU 10 4.180 -1.479 -9.984 81 HD21 LEU 10 HD21 LEU 10 5.879 -3.810 -12.285 82 HD22 LEU 10 HD22 LEU 10 6.258 -5.038 -11.085 83 HD23 LEU 10 HD23 LEU 10 7.120 -3.485 -11.050 84 H HIS 11 HN HIS 11 5.576 -7.376 -9.549 85 HA HIS 11 HA HIS 11 4.241 -8.593 -10.873 86 HB2 HIS 11 HB2 HIS 11 2.648 -8.504 -8.312 87 HB3 HIS 11 HB3 HIS 11 2.275 -9.571 -9.655 88 HD1 HIS 11 HD1 HIS 11 3.853 -11.677 -10.040 89 HD2 HIS 11 HD2 HIS 11 5.031 -9.028 -6.952 90 HE1 HIS 11 HE1 HIS 11 5.729 -12.807 -8.759 91 H LYS 12 HN LYS 12 4.054 -6.726 -12.285 92 HA LYS 12 HA LYS 12 1.973 -4.908 -12.246 93 HB2 LYS 12 HB2 LYS 12 4.030 -5.746 -14.080 94 HB3 LYS 12 HB3 LYS 12 2.572 -5.526 -15.014 95 HG2 LYS 12 HG2 LYS 12 3.473 -3.393 -13.029 96 HG3 LYS 12 HG3 LYS 12 4.262 -3.569 -14.579 97 HD2 LYS 12 HD2 LYS 12 1.840 -3.429 -15.602 98 HD3 LYS 12 HD3 LYS 12 1.399 -2.782 -14.019 99 HE2 LYS 12 HE2 LYS 12 1.855 -0.902 -15.381 100 HE3 LYS 12 HE3 LYS 12 3.259 -1.056 -14.318 101 HZ1 LYS 12 HZ1 LYS 12 3.094 -1.883 -17.158 102 HZ2 LYS 12 HZ2 LYS 12 4.420 -2.141 -16.185 103 HZ3 LYS 12 HZ3 LYS 12 3.938 -0.623 -16.566 104 H ALA 13 HN ALA 13 1.581 -8.281 -13.115 105 HA ALA 13 HA ALA 13 -1.062 -7.977 -14.309 106 HB1 ALA 13 HB1 ALA 13 -1.166 -10.461 -13.805 107 HB2 ALA 13 HB2 ALA 13 0.130 -9.953 -14.889 108 HB3 ALA 13 HB3 ALA 13 0.502 -10.330 -13.197 109 H SER 14 HN SER 14 -0.531 -9.893 -11.301 110 HA SER 14 HA SER 14 -3.090 -9.208 -10.349 111 HB2 SER 14 HB2 SER 14 -1.762 -11.308 -9.928 112 HB3 SER 14 HB3 SER 14 -0.805 -10.418 -8.734 113 HG SER 14 HG SER 14 -2.856 -10.007 -7.647 114 H LYS 15 HN LYS 15 -0.350 -7.280 -10.109 115 HA LYS 15 HA LYS 15 0.348 -5.541 -8.999 116 HB2 LYS 15 HB2 LYS 15 -2.450 -4.770 -8.192 117 HB3 LYS 15 HB3 LYS 15 -1.051 -3.783 -8.576 118 HG2 LYS 15 HG2 LYS 15 -2.014 -3.583 -10.587 119 HG3 LYS 15 HG3 LYS 15 -1.452 -5.179 -10.973 120 HD2 LYS 15 HD2 LYS 15 -3.641 -6.125 -10.249 121 HD3 LYS 15 HD3 LYS 15 -4.073 -4.559 -9.523 122 HE2 LYS 15 HE2 LYS 15 -5.292 -4.939 -11.569 123 HE3 LYS 15 HE3 LYS 15 -4.253 -3.490 -11.529 124 HZ1 LYS 15 HZ1 LYS 15 -2.820 -4.439 -13.083 125 HZ2 LYS 15 HZ2 LYS 15 -4.262 -4.941 -13.641 126 HZ3 LYS 15 HZ3 LYS 15 -3.321 -5.987 -12.783 127 H THR 16 HN THR 16 1.427 -7.060 -7.697 128 HA THR 16 HA THR 16 0.712 -6.911 -4.830 129 HB THR 16 HB THR 16 1.874 -9.297 -6.330 130 HG1 THR 16 HG1 THR 16 -0.062 -10.279 -5.873 131 HG21 THR 16 HG21 THR 16 0.986 -9.000 -3.430 132 HG22 THR 16 HG22 THR 16 2.666 -9.169 -4.014 133 HG23 THR 16 HG23 THR 16 1.521 -10.500 -4.221 134 H LEU 17 HN LEU 17 2.390 -5.827 -3.837 135 HA LEU 17 HA LEU 17 4.992 -5.450 -5.177 136 HB2 LEU 17 HB2 LEU 17 3.895 -3.585 -3.833 137 HB3 LEU 17 HB3 LEU 17 4.077 -4.599 -2.397 138 HG LEU 17 HG LEU 17 6.125 -3.248 -4.042 139 HD11 LEU 17 HD11 LEU 17 5.225 -2.054 -2.110 140 HD12 LEU 17 HD12 LEU 17 6.945 -2.335 -1.946 141 HD13 LEU 17 HD13 LEU 17 5.797 -3.378 -1.059 142 HD21 LEU 17 HD21 LEU 17 7.164 -5.132 -4.284 143 HD22 LEU 17 HD22 LEU 17 7.044 -5.428 -2.492 144 HD23 LEU 17 HD23 LEU 17 8.035 -4.109 -3.171 145 H THR 18 HN THR 18 6.389 -7.113 -4.926 146 HA THR 18 HA THR 18 6.398 -8.379 -2.352 147 HB THR 18 HB THR 18 7.592 -9.336 -5.004 148 HG1 THR 18 HG1 THR 18 5.751 -10.856 -3.633 149 HG21 THR 18 HG21 THR 18 9.078 -10.198 -3.340 150 HG22 THR 18 HG22 THR 18 8.023 -11.526 -3.859 151 HG23 THR 18 HG23 THR 18 7.728 -10.715 -2.305 152 H LEU 19 HN LEU 19 7.850 -8.052 -0.962 153 HA LEU 19 HA LEU 19 10.334 -6.531 -1.648 154 HB2 LEU 19 HB2 LEU 19 8.369 -6.240 0.676 155 HB3 LEU 19 HB3 LEU 19 10.037 -5.775 0.845 156 HG LEU 19 HG LEU 19 7.992 -4.408 -0.936 157 HD11 LEU 19 HD11 LEU 19 8.458 -2.536 0.535 158 HD12 LEU 19 HD12 LEU 19 9.630 -3.510 1.467 159 HD13 LEU 19 HD13 LEU 19 7.906 -3.929 1.465 160 HD21 LEU 19 HD21 LEU 19 9.787 -2.830 -1.517 161 HD22 LEU 19 HD22 LEU 19 10.124 -4.424 -2.180 162 HD23 LEU 19 HD23 LEU 19 11.000 -3.880 -0.728 163 H ARG 20 HN ARG 20 12.055 -7.923 -1.323 164 HA ARG 20 HA ARG 20 11.620 -10.302 0.303 165 HB2 ARG 20 HB2 ARG 20 12.833 -10.217 -1.888 166 HB3 ARG 20 HB3 ARG 20 14.170 -9.391 -1.080 167 HG2 ARG 20 HG2 ARG 20 14.379 -11.369 0.480 168 HG3 ARG 20 HG3 ARG 20 13.032 -12.130 -0.377 169 HD2 ARG 20 HD2 ARG 20 15.093 -13.026 -1.305 170 HD3 ARG 20 HD3 ARG 20 14.423 -11.935 -2.518 171 HE ARG 20 HE ARG 20 16.202 -10.569 -0.700 172 HH11 ARG 20 HH11 ARG 20 16.413 -12.795 -3.523 173 HH12 ARG 20 HH12 ARG 20 17.982 -12.227 -3.947 174 HH21 ARG 20 HH21 ARG 20 18.198 -9.958 -1.222 175 HH22 ARG 20 HH22 ARG 20 19.096 -10.630 -2.569 176 H TYR 21 HN TYR 21 11.373 -9.550 2.460 177 HA TYR 21 HA TYR 21 13.201 -7.796 3.814 178 HB2 TYR 21 HB2 TYR 21 10.836 -8.194 4.446 179 HB3 TYR 21 HB3 TYR 21 11.253 -9.847 4.863 180 HD1 TYR 21 HD2 TYR 21 11.720 -6.230 5.897 181 HD2 TYR 21 HD1 TYR 21 12.085 -10.387 7.033 182 HE1 TYR 21 HE2 TYR 21 12.370 -5.533 8.116 183 HE2 TYR 21 HE1 TYR 21 12.536 -9.680 9.361 184 HH TYR 21 HH TYR 21 12.690 -6.218 10.332 185 H GLY 22 HN GLY 22 15.266 -8.554 3.313 186 HA2 GLY 22 HA2 GLY 22 17.256 -9.519 3.973 187 HA3 GLY 22 HA1 GLY 22 16.389 -10.368 5.269 188 H GLU 23 HN GLU 23 15.421 -12.280 4.866 189 HA GLU 23 HA GLU 23 16.439 -13.904 2.622 190 HB2 GLU 23 HB2 GLU 23 16.709 -15.725 4.163 191 HB3 GLU 23 HB3 GLU 23 17.516 -14.254 4.742 192 HG2 GLU 23 HG2 GLU 23 15.081 -13.917 5.803 193 HG3 GLU 23 HG3 GLU 23 15.160 -15.675 5.849 194 H ASP 24 HN ASP 24 13.722 -12.697 4.134 195 HA ASP 24 HA ASP 24 11.860 -14.902 3.448 196 HB2 ASP 24 HB2 ASP 24 11.352 -12.200 4.789 197 HB3 ASP 24 HB3 ASP 24 10.257 -13.577 4.669 198 H SER 25 HN SER 25 9.924 -14.442 2.018 199 HA SER 25 HA SER 25 10.015 -11.887 0.544 200 HB2 SER 25 HB2 SER 25 8.709 -13.583 -1.133 201 HB3 SER 25 HB3 SER 25 10.402 -13.096 -1.250 202 HG SER 25 HG SER 25 10.088 -15.362 -1.433 203 H TYR 26 HN TYR 26 8.395 -10.628 1.137 204 HA TYR 26 HA TYR 26 5.788 -11.853 1.853 205 HB2 TYR 26 HB2 TYR 26 6.813 -9.099 2.543 206 HB3 TYR 26 HB3 TYR 26 5.415 -9.917 3.221 207 HD1 TYR 26 HD2 TYR 26 6.779 -12.655 3.786 208 HD2 TYR 26 HD1 TYR 26 8.097 -8.635 4.385 209 HE1 TYR 26 HE2 TYR 26 8.142 -13.406 5.724 210 HE2 TYR 26 HE1 TYR 26 9.440 -9.355 6.352 211 HH TYR 26 HH TYR 26 9.497 -12.715 7.544 212 H ASP 27 HN ASP 27 4.011 -11.187 0.830 213 HA ASP 27 HA ASP 27 4.340 -9.656 -1.698 214 HB2 ASP 27 HB2 ASP 27 2.985 -12.247 -0.930 215 HB3 ASP 27 HB3 ASP 27 2.347 -11.297 -2.263 216 H LEU 28 HN LEU 28 3.653 -7.689 -0.786 217 HA LEU 28 HA LEU 28 1.074 -7.500 0.585 218 HB2 LEU 28 HB2 LEU 28 2.961 -5.315 -0.414 219 HB3 LEU 28 HB3 LEU 28 1.663 -5.132 0.751 220 HG LEU 28 HG LEU 28 3.212 -7.176 1.885 221 HD11 LEU 28 HD11 LEU 28 5.194 -5.163 0.780 222 HD12 LEU 28 HD12 LEU 28 5.032 -6.853 0.249 223 HD13 LEU 28 HD13 LEU 28 5.519 -6.520 1.897 224 HD21 LEU 28 HD21 LEU 28 3.733 -5.624 3.585 225 HD22 LEU 28 HD22 LEU 28 2.172 -5.166 2.976 226 HD23 LEU 28 HD23 LEU 28 3.609 -4.240 2.473 227 HA PRO 29 HA PRO 29 -1.034 -6.535 -3.301 228 HB2 PRO 29 HB2 PRO 29 -3.388 -5.469 -2.384 229 HB3 PRO 29 HB3 PRO 29 -2.997 -7.207 -2.256 230 HG2 PRO 29 HG2 PRO 29 -2.723 -5.077 -0.149 231 HG3 PRO 29 HG3 PRO 29 -3.473 -6.688 0.022 232 HD2 PRO 29 HD2 PRO 29 -0.875 -6.213 0.781 233 HD3 PRO 29 HD3 PRO 29 -1.344 -7.769 0.031 234 H ALA 30 HN ALA 30 -1.558 -4.626 -4.630 235 HA ALA 30 HA ALA 30 -0.249 -2.200 -4.093 236 HB1 ALA 30 HB1 ALA 30 -1.818 -1.269 -5.823 237 HB2 ALA 30 HB2 ALA 30 -1.108 -2.794 -6.360 238 HB3 ALA 30 HB3 ALA 30 -2.787 -2.719 -5.767 239 H GLU 31 HN GLU 31 -3.629 -3.090 -3.271 240 HA GLU 31 HA GLU 31 -4.314 -0.519 -2.322 241 HB2 GLU 31 HB2 GLU 31 -6.260 -1.491 -1.479 242 HB3 GLU 31 HB3 GLU 31 -5.915 -2.222 -3.040 243 HG2 GLU 31 HG2 GLU 31 -5.244 -4.303 -1.965 244 HG3 GLU 31 HG3 GLU 31 -5.223 -3.517 -0.388 245 H PHE 32 HN PHE 32 -2.377 -2.985 -0.725 246 HA PHE 32 HA PHE 32 -2.919 -2.150 1.999 247 HB2 PHE 32 HB2 PHE 32 -1.832 -4.288 1.774 248 HB3 PHE 32 HB3 PHE 32 -0.646 -3.689 0.647 249 HD1 PHE 32 HD1 PHE 32 1.428 -2.344 1.466 250 HD2 PHE 32 HD2 PHE 32 -1.641 -3.972 4.157 251 HE1 PHE 32 HE1 PHE 32 2.882 -2.039 3.405 252 HE2 PHE 32 HE2 PHE 32 -0.159 -3.574 6.070 253 HZ PHE 32 HZ PHE 32 2.121 -2.626 5.714 254 H LEU 33 HN LEU 33 -0.216 -1.448 -0.303 255 HA LEU 33 HA LEU 33 1.054 0.305 1.517 256 HB2 LEU 33 HB2 LEU 33 1.185 0.178 -1.509 257 HB3 LEU 33 HB3 LEU 33 2.298 1.073 -0.459 258 HG LEU 33 HG LEU 33 3.328 -0.736 -1.086 259 HD11 LEU 33 HD11 LEU 33 2.939 -0.745 1.646 260 HD12 LEU 33 HD12 LEU 33 4.414 -0.771 0.718 261 HD13 LEU 33 HD13 LEU 33 3.578 -2.300 1.006 262 HD21 LEU 33 HD21 LEU 33 2.933 -2.981 -1.236 263 HD22 LEU 33 HD22 LEU 33 1.951 -1.930 -2.241 264 HD23 LEU 33 HD23 LEU 33 1.245 -2.655 -0.742 265 H ARG 34 HN ARG 34 -1.369 0.950 -1.017 266 HA ARG 34 HA ARG 34 -1.398 3.741 -0.976 267 HB2 ARG 34 HB2 ARG 34 -2.759 2.528 -2.554 268 HB3 ARG 34 HB3 ARG 34 -3.678 1.750 -1.264 269 HG2 ARG 34 HG2 ARG 34 -4.973 3.478 -2.418 270 HG3 ARG 34 HG3 ARG 34 -4.796 3.827 -0.702 271 HD2 ARG 34 HD2 ARG 34 -3.109 5.554 -1.199 272 HD3 ARG 34 HD3 ARG 34 -3.045 5.063 -2.894 273 HE ARG 34 HE ARG 34 -5.275 5.932 -3.247 274 HH11 ARG 34 HH11 ARG 34 -3.302 7.582 -0.896 275 HH12 ARG 34 HH12 ARG 34 -4.440 8.863 -0.693 276 HH21 ARG 34 HH21 ARG 34 -6.782 7.509 -2.939 277 HH22 ARG 34 HH22 ARG 34 -6.561 8.729 -1.729 278 H VAL 35 HN VAL 35 -3.332 1.624 1.308 279 HA VAL 35 HA VAL 35 -4.304 3.972 2.704 280 HB VAL 35 HB VAL 35 -5.104 2.466 4.397 281 HG11 VAL 35 HG11 VAL 35 -6.755 1.463 3.046 282 HG12 VAL 35 HG12 VAL 35 -6.318 2.991 2.265 283 HG13 VAL 35 HG13 VAL 35 -5.713 1.473 1.581 284 HG21 VAL 35 HG21 VAL 35 -3.375 0.644 4.327 285 HG22 VAL 35 HG22 VAL 35 -5.030 0.061 4.224 286 HG23 VAL 35 HG23 VAL 35 -4.032 0.132 2.757 287 H HIS 36 HN HIS 36 -1.487 1.809 3.235 288 HA HIS 36 HA HIS 36 -0.739 3.408 5.565 289 HB2 HIS 36 HB2 HIS 36 -0.481 0.771 5.162 290 HB3 HIS 36 HB3 HIS 36 1.062 1.269 4.482 291 HD1 HIS 36 HD1 HIS 36 2.147 3.368 6.447 292 HD2 HIS 36 HD2 HIS 36 -0.306 0.155 7.676 293 HE1 HIS 36 HE1 HIS 36 2.319 3.246 8.966 294 H SER 37 HN SER 37 -0.809 4.845 2.972 295 HA SER 37 HA SER 37 2.031 5.398 2.499 296 HB2 SER 37 HB2 SER 37 0.803 4.770 0.557 297 HB3 SER 37 HB3 SER 37 -0.367 6.093 0.811 298 HG SER 37 HG SER 37 1.227 6.648 -0.729 299 HA PRO 38 HA PRO 38 1.213 9.307 4.765 300 HB2 PRO 38 HB2 PRO 38 3.731 9.473 5.852 301 HB3 PRO 38 HB3 PRO 38 2.387 8.548 6.617 302 HG2 PRO 38 HG2 PRO 38 4.650 7.571 4.860 303 HG3 PRO 38 HG3 PRO 38 4.099 6.939 6.429 304 HD2 PRO 38 HD2 PRO 38 3.312 5.891 4.021 305 HD3 PRO 38 HD3 PRO 38 2.221 5.898 5.439 306 H SER 39 HN SER 39 1.188 10.686 3.012 307 HA SER 39 HA SER 39 3.472 11.116 1.284 308 HB2 SER 39 HB2 SER 39 2.025 13.477 1.481 309 HB3 SER 39 HB3 SER 39 1.836 12.233 0.244 310 HG SER 39 HG SER 39 -0.132 12.828 1.226 311 H ALA 40 HN ALA 40 5.406 11.850 2.208 312 HA ALA 40 HA ALA 40 5.439 13.001 4.869 313 HB1 ALA 40 HB1 ALA 40 7.582 12.934 2.713 314 HB2 ALA 40 HB2 ALA 40 7.819 13.333 4.423 315 HB3 ALA 40 HB3 ALA 40 7.300 11.693 3.977 316 H GLU 41 HN GLU 41 4.599 14.318 1.865 317 HA GLU 41 HA GLU 41 5.664 16.990 2.328 318 HB2 GLU 41 HB2 GLU 41 4.214 15.857 -0.067 319 HB3 GLU 41 HB3 GLU 41 5.239 17.299 -0.010 320 HG2 GLU 41 HG2 GLU 41 7.204 15.793 0.520 321 HG3 GLU 41 HG3 GLU 41 6.148 14.384 0.273 322 H VAL 42 HN VAL 42 3.543 16.039 4.001 323 HA VAL 42 HA VAL 42 0.965 16.970 3.110 324 HB VAL 42 HB VAL 42 2.078 15.783 5.641 325 HG11 VAL 42 HG11 VAL 42 0.390 17.220 6.622 326 HG12 VAL 42 HG12 VAL 42 -0.778 16.822 5.332 327 HG13 VAL 42 HG13 VAL 42 -0.269 15.599 6.516 328 HG21 VAL 42 HG21 VAL 42 0.705 13.929 4.978 329 HG22 VAL 42 HG22 VAL 42 -0.215 14.920 3.815 330 HG23 VAL 42 HG23 VAL 42 1.465 14.507 3.489 331 H GLN 43 HN GLN 43 2.486 18.091 6.095 332 HA GLN 43 HA GLN 43 3.001 20.744 5.579 333 HB2 GLN 43 HB2 GLN 43 0.963 21.868 6.580 334 HB3 GLN 43 HB3 GLN 43 0.756 21.304 4.954 335 HG2 GLN 43 HG2 GLN 43 -0.660 19.528 5.577 336 HG3 GLN 43 HG3 GLN 43 -0.021 19.474 7.220 337 HE21 GLN 43 HE21 GLN 43 -1.840 19.725 8.437 338 HE22 GLN 43 HE22 GLN 43 -2.970 21.087 8.290 339 H GLY 44 HN GLY 44 3.996 18.549 7.130 340 HA2 GLY 44 HA2 GLY 44 4.761 18.177 9.316 341 HA3 GLY 44 HA1 GLY 44 3.597 19.349 9.964 342 H HIS 45 HN HIS 45 1.235 18.678 9.840 343 HA HIS 45 HA HIS 45 0.822 15.791 9.487 344 HB2 HIS 45 HB2 HIS 45 1.603 16.698 11.977 345 HB3 HIS 45 HB3 HIS 45 -0.147 16.804 12.117 346 HD1 HIS 45 HD1 HIS 45 -1.004 14.546 13.161 347 HD2 HIS 45 HD2 HIS 45 2.357 14.158 10.620 348 HE1 HIS 45 HE1 HIS 45 -0.509 12.100 13.043 349 H GLY 46 HN GLY 46 -1.603 15.305 10.343 350 HA2 GLY 46 HA2 GLY 46 -3.472 17.336 9.440 351 HA3 GLY 46 HA1 GLY 46 -3.289 15.925 8.380 352 H ASN 47 HN ASN 47 -5.697 16.137 9.291 353 HA ASN 47 HA ASN 47 -6.124 15.015 11.971 354 HB2 ASN 47 HB2 ASN 47 -8.534 15.131 11.398 355 HB3 ASN 47 HB3 ASN 47 -7.701 16.662 11.244 356 HD21 ASN 47 HD21 ASN 47 -8.543 13.820 9.076 357 HD22 ASN 47 HD22 ASN 47 -8.848 14.868 7.701 358 HA PRO 48 HA PRO 48 -6.312 10.787 10.611 359 HB2 PRO 48 HB2 PRO 48 -7.912 9.601 12.434 360 HB3 PRO 48 HB3 PRO 48 -6.269 10.197 12.790 361 HG2 PRO 48 HG2 PRO 48 -8.899 11.644 13.344 362 HG3 PRO 48 HG3 PRO 48 -7.519 11.425 14.462 363 HD2 PRO 48 HD2 PRO 48 -7.857 13.701 13.037 364 HD3 PRO 48 HD3 PRO 48 -6.228 13.030 13.302 365 H VAL 49 HN VAL 49 -7.256 10.462 8.721 366 HA VAL 49 HA VAL 49 -10.139 10.028 8.564 367 HB VAL 49 HB VAL 49 -9.638 12.085 7.743 368 HG11 VAL 49 HG11 VAL 49 -8.220 12.683 5.830 369 HG12 VAL 49 HG12 VAL 49 -7.293 12.118 7.229 370 HG13 VAL 49 HG13 VAL 49 -7.557 11.043 5.862 371 HG21 VAL 49 HG21 VAL 49 -10.534 11.986 5.467 372 HG22 VAL 49 HG22 VAL 49 -10.186 10.244 5.431 373 HG23 VAL 49 HG23 VAL 49 -11.364 10.885 6.578 374 H LEU 50 HN LEU 50 -10.635 8.165 7.914 375 HA LEU 50 HA LEU 50 -8.634 6.167 7.064 376 HB2 LEU 50 HB2 LEU 50 -10.558 5.529 8.493 377 HB3 LEU 50 HB3 LEU 50 -11.691 6.124 7.280 378 HG LEU 50 HG LEU 50 -10.907 4.310 5.714 379 HD11 LEU 50 HD11 LEU 50 -9.638 2.403 6.735 380 HD12 LEU 50 HD12 LEU 50 -9.375 3.387 8.182 381 HD13 LEU 50 HD13 LEU 50 -8.662 3.868 6.638 382 HD21 LEU 50 HD21 LEU 50 -12.934 4.106 6.978 383 HD22 LEU 50 HD22 LEU 50 -12.058 3.519 8.408 384 HD23 LEU 50 HD23 LEU 50 -12.131 2.534 6.935 385 H GLN 51 HN GLN 51 -8.317 5.302 5.113 386 HA GLN 51 HA GLN 51 -9.608 6.660 2.831 387 HB2 GLN 51 HB2 GLN 51 -6.948 5.204 3.004 388 HB3 GLN 51 HB3 GLN 51 -7.571 6.122 1.622 389 HG2 GLN 51 HG2 GLN 51 -6.882 7.239 4.394 390 HG3 GLN 51 HG3 GLN 51 -5.934 7.414 2.974 391 HE21 GLN 51 HE21 GLN 51 -7.949 9.022 4.905 392 HE22 GLN 51 HE22 GLN 51 -8.771 10.138 3.816 393 H TYR 52 HN TYR 52 -11.023 5.533 1.743 394 HA TYR 52 HA TYR 52 -10.952 2.579 1.826 395 HB2 TYR 52 HB2 TYR 52 -13.288 2.434 1.883 396 HB3 TYR 52 HB3 TYR 52 -12.752 3.343 3.239 397 HD1 TYR 52 HD1 TYR 52 -13.096 5.782 3.488 398 HD2 TYR 52 HD2 TYR 52 -14.671 3.597 0.081 399 HE1 TYR 52 HE1 TYR 52 -14.447 7.732 2.803 400 HE2 TYR 52 HE2 TYR 52 -16.055 5.522 -0.534 401 HH TYR 52 HH TYR 52 -15.528 8.598 0.518 402 H GLY 53 HN GLY 53 -12.834 2.130 -0.098 403 HA2 GLY 53 HA2 GLY 53 -12.827 1.745 -2.407 404 HA3 GLY 53 HA1 GLY 53 -12.533 3.470 -2.530 405 H LYS 54 HN LYS 54 -10.996 0.312 -2.455 406 HA LYS 54 HA LYS 54 -8.709 1.389 -3.814 407 HB2 LYS 54 HB2 LYS 54 -6.937 0.533 -2.379 408 HB3 LYS 54 HB3 LYS 54 -7.768 1.958 -1.824 409 HG2 LYS 54 HG2 LYS 54 -8.322 -0.834 -0.794 410 HG3 LYS 54 HG3 LYS 54 -7.172 0.309 -0.069 411 HD2 LYS 54 HD2 LYS 54 -9.373 1.840 -0.210 412 HD3 LYS 54 HD3 LYS 54 -10.159 0.265 -0.078 413 HE2 LYS 54 HE2 LYS 54 -8.372 1.638 1.917 414 HE3 LYS 54 HE3 LYS 54 -9.981 0.987 2.164 415 HZ1 LYS 54 HZ1 LYS 54 -8.340 -0.398 3.184 416 HZ2 LYS 54 HZ2 LYS 54 -7.538 -0.607 1.760 417 HZ3 LYS 54 HZ3 LYS 54 -9.035 -1.246 1.941 418 H LEU 55 HN LEU 55 -10.937 -1.057 -3.685 419 HA LEU 55 HA LEU 55 -9.315 -3.358 -4.195 420 HB2 LEU 55 HB2 LEU 55 -12.185 -2.541 -4.811 421 HB3 LEU 55 HB3 LEU 55 -11.518 -3.993 -5.460 422 HG LEU 55 HG LEU 55 -12.156 -3.311 -2.648 423 HD11 LEU 55 HD11 LEU 55 -13.377 -5.341 -2.588 424 HD12 LEU 55 HD12 LEU 55 -12.655 -5.871 -4.130 425 HD13 LEU 55 HD13 LEU 55 -13.778 -4.499 -4.093 426 HD21 LEU 55 HD21 LEU 55 -9.932 -4.157 -2.251 427 HD22 LEU 55 HD22 LEU 55 -10.212 -5.529 -3.346 428 HD23 LEU 55 HD23 LEU 55 -11.058 -5.417 -1.788 429 H ASN 56 HN ASN 56 -9.963 -0.521 -6.089 430 HA ASN 56 HA ASN 56 -9.212 -1.952 -8.584 431 HB2 ASN 56 HB2 ASN 56 -10.620 0.709 -8.166 432 HB3 ASN 56 HB3 ASN 56 -10.068 0.108 -9.717 433 HD21 ASN 56 HD21 ASN 56 -12.242 -0.705 -7.001 434 HD22 ASN 56 HD22 ASN 56 -13.296 -1.769 -7.934 435 H VAL 57 HN VAL 57 -7.507 -0.485 -6.167 436 HA VAL 57 HA VAL 57 -5.658 1.158 -7.718 437 HB VAL 57 HB VAL 57 -5.244 -0.508 -5.203 438 HG11 VAL 57 HG11 VAL 57 -3.633 1.910 -6.209 439 HG12 VAL 57 HG12 VAL 57 -3.221 0.859 -4.831 440 HG13 VAL 57 HG13 VAL 57 -3.127 0.258 -6.505 441 HG21 VAL 57 HG21 VAL 57 -6.916 1.270 -4.850 442 HG22 VAL 57 HG22 VAL 57 -5.456 1.377 -3.851 443 HG23 VAL 57 HG23 VAL 57 -5.694 2.480 -5.231 444 H GLY 58 HN GLY 58 -4.199 0.426 -9.184 445 HA2 GLY 58 HA2 GLY 58 -2.910 -2.128 -8.728 446 HA3 GLY 58 HA1 GLY 58 -3.924 -2.099 -10.155 447 H LEU 59 HN LEU 59 -1.923 0.243 -8.692 448 HA LEU 59 HA LEU 59 -0.143 1.471 -8.985 449 HB2 LEU 59 HB2 LEU 59 -0.061 -1.377 -8.664 450 HB3 LEU 59 HB3 LEU 59 1.312 -0.927 -9.532 451 HG LEU 59 HG LEU 59 1.385 -1.184 -6.970 452 HD11 LEU 59 HD11 LEU 59 2.535 1.359 -8.140 453 HD12 LEU 59 HD12 LEU 59 3.256 -0.255 -8.207 454 HD13 LEU 59 HD13 LEU 59 3.021 0.556 -6.644 455 HD21 LEU 59 HD21 LEU 59 0.488 1.681 -6.831 456 HD22 LEU 59 HD22 LEU 59 0.690 0.492 -5.538 457 HD23 LEU 59 HD23 LEU 59 -0.673 0.352 -6.663 458 H VAL 60 HN VAL 60 1.690 2.273 -9.988 459 HA VAL 60 HA VAL 60 1.881 1.766 -12.921 460 HB VAL 60 HB VAL 60 2.378 4.252 -13.002 461 HG11 VAL 60 HG11 VAL 60 0.470 3.135 -14.142 462 HG12 VAL 60 HG12 VAL 60 -0.472 3.235 -12.637 463 HG13 VAL 60 HG13 VAL 60 -0.039 4.713 -13.510 464 HG21 VAL 60 HG21 VAL 60 0.955 5.673 -11.576 465 HG22 VAL 60 HG22 VAL 60 0.626 4.250 -10.564 466 HG23 VAL 60 HG23 VAL 60 2.291 4.879 -10.740 467 H GLY 61 HN GLY 61 3.532 2.670 -10.010 468 HA2 GLY 61 HA2 GLY 61 5.968 1.477 -11.138 469 HA3 GLY 61 HA1 GLY 61 6.118 3.222 -10.890 470 H VAL 62 HN VAL 62 7.708 1.184 -9.712 471 HA VAL 62 HA VAL 62 7.623 2.045 -6.962 472 HB VAL 62 HB VAL 62 7.916 -0.909 -7.303 473 HG11 VAL 62 HG11 VAL 62 7.059 -1.065 -4.980 474 HG12 VAL 62 HG12 VAL 62 8.468 -0.035 -5.099 475 HG13 VAL 62 HG13 VAL 62 6.813 0.676 -4.953 476 HG21 VAL 62 HG21 VAL 62 5.592 -1.444 -6.695 477 HG22 VAL 62 HG22 VAL 62 5.187 0.265 -6.779 478 HG23 VAL 62 HG23 VAL 62 5.658 -0.607 -8.250 479 H GLU 63 HN GLU 63 9.635 2.891 -7.236 480 HA GLU 63 HA GLU 63 11.943 1.216 -7.837 481 HB2 GLU 63 HB2 GLU 63 11.130 3.661 -9.442 482 HB3 GLU 63 HB3 GLU 63 12.809 3.337 -9.190 483 HG2 GLU 63 HG2 GLU 63 11.878 0.852 -9.927 484 HG3 GLU 63 HG3 GLU 63 10.788 1.884 -10.818 485 HA PRO 64 HA PRO 64 13.747 3.356 -4.479 486 HB2 PRO 64 HB2 PRO 64 16.341 3.804 -5.270 487 HB3 PRO 64 HB3 PRO 64 15.695 2.211 -4.775 488 HG2 PRO 64 HG2 PRO 64 16.013 3.272 -7.592 489 HG3 PRO 64 HG3 PRO 64 16.507 1.672 -6.943 490 HD2 PRO 64 HD2 PRO 64 14.178 1.975 -8.280 491 HD3 PRO 64 HD3 PRO 64 14.238 0.939 -6.821 492 H ALA 65 HN ALA 65 13.422 5.347 -3.826 493 HA ALA 65 HA ALA 65 14.063 7.691 -5.561 494 HB1 ALA 65 HB1 ALA 65 12.010 8.005 -4.338 495 HB2 ALA 65 HB2 ALA 65 12.765 7.528 -2.816 496 HB3 ALA 65 HB3 ALA 65 13.245 9.036 -3.618 497 H GLY 66 HN GLY 66 16.352 6.858 -5.659 498 HA2 GLY 66 HA2 GLY 66 18.426 7.729 -5.195 499 HA3 GLY 66 HA1 GLY 66 17.885 8.274 -3.594 500 H GLN 67 HN GLN 67 18.923 7.154 -1.992 501 HA GLN 67 HA GLN 67 19.249 4.217 -2.320 502 HB2 GLN 67 HB2 GLN 67 21.409 6.051 -1.222 503 HB3 GLN 67 HB3 GLN 67 21.450 4.279 -1.348 504 HG2 GLN 67 HG2 GLN 67 21.092 4.589 -3.871 505 HG3 GLN 67 HG3 GLN 67 21.448 6.305 -3.600 506 HE21 GLN 67 HE21 GLN 67 23.143 5.630 -5.317 507 HE22 GLN 67 HE22 GLN 67 24.688 5.092 -4.653 508 H TYR 68 HN TYR 68 17.411 6.203 -0.823 509 HA TYR 68 HA TYR 68 17.559 4.823 1.807 510 HB2 TYR 68 HB2 TYR 68 17.057 7.244 2.773 511 HB3 TYR 68 HB3 TYR 68 18.640 6.513 2.672 512 HD1 TYR 68 HD1 TYR 68 20.285 7.148 0.947 513 HD2 TYR 68 HD2 TYR 68 16.514 9.204 1.397 514 HE1 TYR 68 HE1 TYR 68 21.120 8.960 -0.502 515 HE2 TYR 68 HE2 TYR 68 17.328 11.033 -0.027 516 HH TYR 68 HH TYR 68 19.402 12.001 -1.021 517 H ALA 69 HN ALA 69 15.572 6.037 -0.757 518 HA ALA 69 HA ALA 69 13.129 5.671 0.849 519 HB1 ALA 69 HB1 ALA 69 13.533 8.045 0.837 520 HB2 ALA 69 HB2 ALA 69 13.944 8.057 -0.876 521 HB3 ALA 69 HB3 ALA 69 12.279 7.730 -0.371 522 H LEU 70 HN LEU 70 11.195 5.673 -0.850 523 HA LEU 70 HA LEU 70 11.961 4.223 -3.323 524 HB2 LEU 70 HB2 LEU 70 11.366 2.559 -1.495 525 HB3 LEU 70 HB3 LEU 70 9.751 3.270 -1.487 526 HG LEU 70 HG LEU 70 9.549 1.311 -2.700 527 HD11 LEU 70 HD11 LEU 70 8.496 3.298 -3.699 528 HD12 LEU 70 HD12 LEU 70 8.789 2.030 -4.883 529 HD13 LEU 70 HD13 LEU 70 9.844 3.397 -4.841 530 HD21 LEU 70 HD21 LEU 70 11.675 0.545 -3.299 531 HD22 LEU 70 HD22 LEU 70 12.058 2.026 -4.198 532 HD23 LEU 70 HD23 LEU 70 10.887 0.851 -4.833 533 H LYS 71 HN LYS 71 10.997 5.320 -4.929 534 HA LYS 71 HA LYS 71 8.787 7.197 -4.474 535 HB2 LYS 71 HB2 LYS 71 10.805 7.516 -6.093 536 HB3 LYS 71 HB3 LYS 71 10.055 6.319 -7.107 537 HG2 LYS 71 HG2 LYS 71 8.020 7.674 -7.330 538 HG3 LYS 71 HG3 LYS 71 8.615 8.834 -6.116 539 HD2 LYS 71 HD2 LYS 71 10.540 9.380 -7.510 540 HD3 LYS 71 HD3 LYS 71 10.038 8.186 -8.701 541 HE2 LYS 71 HE2 LYS 71 8.445 10.672 -7.847 542 HE3 LYS 71 HE3 LYS 71 9.485 10.608 -9.274 543 HZ1 LYS 71 HZ1 LYS 71 8.031 8.880 -10.166 544 HZ2 LYS 71 HZ2 LYS 71 7.220 10.291 -9.820 545 HZ3 LYS 71 HZ3 LYS 71 7.048 9.034 -8.815 546 H LEU 72 HN LEU 72 7.131 5.691 -3.730 547 HA LEU 72 HA LEU 72 6.163 3.562 -5.459 548 HB2 LEU 72 HB2 LEU 72 5.375 4.796 -2.939 549 HB3 LEU 72 HB3 LEU 72 4.026 4.740 -4.042 550 HG LEU 72 HG LEU 72 3.970 2.800 -2.779 551 HD11 LEU 72 HD11 LEU 72 3.931 0.936 -4.206 552 HD12 LEU 72 HD12 LEU 72 4.922 1.841 -5.405 553 HD13 LEU 72 HD13 LEU 72 3.282 2.386 -5.005 554 HD21 LEU 72 HD21 LEU 72 6.745 2.060 -3.373 555 HD22 LEU 72 HD22 LEU 72 5.530 1.145 -2.414 556 HD23 LEU 72 HD23 LEU 72 6.102 2.737 -1.871 557 H SER 73 HN SER 73 4.293 3.842 -6.944 558 HA SER 73 HA SER 73 3.258 6.569 -7.297 559 HB2 SER 73 HB2 SER 73 4.442 4.992 -9.627 560 HB3 SER 73 HB3 SER 73 3.657 6.588 -9.698 561 HG SER 73 HG SER 73 5.457 6.913 -7.916 562 H PHE 74 HN PHE 74 1.096 6.296 -7.195 563 HA PHE 74 HA PHE 74 -0.001 3.583 -7.736 564 HB2 PHE 74 HB2 PHE 74 -0.909 5.848 -5.919 565 HB3 PHE 74 HB3 PHE 74 -1.783 4.346 -6.131 566 HD1 PHE 74 HD2 PHE 74 1.364 5.843 -4.632 567 HD2 PHE 74 HD1 PHE 74 -1.161 2.338 -4.941 568 HE1 PHE 74 HE2 PHE 74 2.321 4.956 -2.566 569 HE2 PHE 74 HE1 PHE 74 -0.093 1.418 -2.934 570 HZ PHE 74 HZ PHE 74 1.624 2.767 -1.697 571 H ASP 75 HN ASP 75 -1.760 3.340 -9.010 572 HA ASP 75 HA ASP 75 -2.207 5.251 -11.103 573 HB2 ASP 75 HB2 ASP 75 -3.555 3.469 -12.004 574 HB3 ASP 75 HB3 ASP 75 -2.093 2.738 -11.336 575 H ASP 76 HN ASP 76 -3.803 4.363 -8.114 576 HA ASP 76 HA ASP 76 -6.332 5.663 -8.495 577 HB2 ASP 76 HB2 ASP 76 -6.054 4.182 -6.683 578 HB3 ASP 76 HB3 ASP 76 -4.626 5.030 -6.077 579 H GLY 77 HN GLY 77 -3.130 6.994 -8.205 580 HA2 GLY 77 HA2 GLY 77 -2.979 8.930 -9.454 581 HA3 GLY 77 HA1 GLY 77 -4.377 9.629 -8.667 582 H HIS 78 HN HIS 78 -3.335 8.977 -5.856 583 HA HIS 78 HA HIS 78 -1.526 11.235 -5.622 584 HB2 HIS 78 HB2 HIS 78 -3.308 10.513 -3.897 585 HB3 HIS 78 HB3 HIS 78 -2.121 9.342 -3.348 586 HD1 HIS 78 HD1 HIS 78 0.427 10.648 -2.612 587 HD2 HIS 78 HD2 HIS 78 -3.056 12.967 -3.157 588 HE1 HIS 78 HE1 HIS 78 0.922 12.926 -1.652 589 H ASP 79 HN ASP 79 0.386 10.828 -6.605 590 HA ASP 79 HA ASP 79 1.770 8.249 -6.180 591 HB2 ASP 79 HB2 ASP 79 2.864 8.604 -8.215 592 HB3 ASP 79 HB3 ASP 79 1.207 9.127 -8.506 593 H SER 80 HN SER 80 2.183 11.749 -5.579 594 HA SER 80 HA SER 80 4.974 11.458 -4.941 595 HB2 SER 80 HB2 SER 80 2.992 13.719 -4.566 596 HB3 SER 80 HB3 SER 80 4.716 13.820 -4.137 597 HG SER 80 HG SER 80 4.167 14.493 -6.329 598 H GLY 81 HN GLY 81 5.803 12.278 -2.726 599 HA2 GLY 81 HA2 GLY 81 5.054 11.856 -0.245 600 HA3 GLY 81 HA1 GLY 81 4.848 10.206 -0.893 601 H LEU 82 HN LEU 82 6.604 9.324 0.287 602 HA LEU 82 HA LEU 82 9.297 10.088 -0.564 603 HB2 LEU 82 HB2 LEU 82 9.074 11.634 1.202 604 HB3 LEU 82 HB3 LEU 82 8.230 10.470 2.235 605 HG LEU 82 HG LEU 82 10.284 9.260 2.656 606 HD11 LEU 82 HD11 LEU 82 11.477 9.733 0.484 607 HD12 LEU 82 HD12 LEU 82 12.460 10.042 1.922 608 HD13 LEU 82 HD13 LEU 82 11.721 11.404 1.024 609 HD21 LEU 82 HD21 LEU 82 9.635 11.183 4.055 610 HD22 LEU 82 HD22 LEU 82 10.686 12.231 3.083 611 HD23 LEU 82 HD23 LEU 82 11.378 10.894 4.033 612 H PHE 83 HN PHE 83 7.919 8.192 2.113 613 HA PHE 83 HA PHE 83 8.325 6.212 2.921 614 HB2 PHE 83 HB2 PHE 83 8.875 5.302 0.094 615 HB3 PHE 83 HB3 PHE 83 8.857 4.268 1.510 616 HD1 PHE 83 HD1 PHE 83 6.822 3.849 2.838 617 HD2 PHE 83 HD2 PHE 83 6.761 6.209 -0.793 618 HE1 PHE 83 HE1 PHE 83 4.329 3.683 2.754 619 HE2 PHE 83 HE2 PHE 83 4.266 5.999 -0.855 620 HZ PHE 83 HZ PHE 83 3.118 4.679 0.954 621 H THR 84 HN THR 84 10.068 4.686 3.559 622 HA THR 84 HA THR 84 12.776 5.620 2.973 623 HB THR 84 HB THR 84 12.459 5.360 5.819 624 HG1 THR 84 HG1 THR 84 11.329 7.464 5.996 625 HG21 THR 84 HG21 THR 84 13.498 7.575 5.842 626 HG22 THR 84 HG22 THR 84 13.108 7.800 4.118 627 HG23 THR 84 HG23 THR 84 14.274 6.558 4.627 628 H TRP 85 HN TRP 85 14.276 3.905 3.371 629 HA TRP 85 HA TRP 85 13.131 1.397 2.919 630 HB2 TRP 85 HB2 TRP 85 15.910 1.961 4.027 631 HB3 TRP 85 HB3 TRP 85 15.312 0.452 3.365 632 HD1 TRP 85 HD1 TRP 85 17.623 2.770 2.259 633 HE1 TRP 85 HE1 TRP 85 17.863 2.785 -0.254 634 HE3 TRP 85 HE3 TRP 85 13.132 0.606 0.983 635 HZ2 TRP 85 HZ2 TRP 85 16.209 2.216 -2.563 636 HZ3 TRP 85 HZ3 TRP 85 12.512 0.377 -1.351 637 HH2 TRP 85 HH2 TRP 85 14.071 1.101 -3.173 638 H ASP 86 HN ASP 86 14.323 2.680 6.017 639 HA ASP 86 HA ASP 86 13.930 0.287 7.499 640 HB2 ASP 86 HB2 ASP 86 14.996 2.882 7.927 641 HB3 ASP 86 HB3 ASP 86 13.701 2.738 9.091 642 H TYR 87 HN TYR 87 11.635 2.448 6.228 643 HA TYR 87 HA TYR 87 9.490 1.810 8.188 644 HB2 TYR 87 HB2 TYR 87 9.842 4.152 7.531 645 HB3 TYR 87 HB3 TYR 87 9.650 3.742 5.839 646 HD1 TYR 87 HD1 TYR 87 7.673 2.938 8.959 647 HD2 TYR 87 HD2 TYR 87 7.692 4.670 4.999 648 HE1 TYR 87 HE1 TYR 87 5.293 3.486 9.189 649 HE2 TYR 87 HE2 TYR 87 5.276 5.205 5.198 650 HH TYR 87 HH TYR 87 3.621 5.387 7.927 651 H LEU 88 HN LEU 88 10.379 1.465 4.728 652 HA LEU 88 HA LEU 88 7.958 0.230 3.871 653 HB2 LEU 88 HB2 LEU 88 10.815 0.123 2.858 654 HB3 LEU 88 HB3 LEU 88 9.514 -0.699 2.005 655 HG LEU 88 HG LEU 88 9.205 2.242 2.684 656 HD11 LEU 88 HD11 LEU 88 10.287 2.851 0.599 657 HD12 LEU 88 HD12 LEU 88 10.683 1.138 0.271 658 HD13 LEU 88 HD13 LEU 88 11.413 2.016 1.633 659 HD21 LEU 88 HD21 LEU 88 7.845 2.212 0.596 660 HD22 LEU 88 HD22 LEU 88 7.241 1.049 1.786 661 HD23 LEU 88 HD23 LEU 88 8.189 0.483 0.402 662 H TYR 89 HN TYR 89 11.038 -1.269 4.973 663 HA TYR 89 HA TYR 89 10.054 -3.956 4.498 664 HB2 TYR 89 HB2 TYR 89 12.555 -2.644 5.412 665 HB3 TYR 89 HB3 TYR 89 12.283 -4.228 6.055 666 HD1 TYR 89 HD1 TYR 89 11.019 -5.905 3.909 667 HD2 TYR 89 HD2 TYR 89 13.910 -2.669 3.539 668 HE1 TYR 89 HE1 TYR 89 11.758 -6.803 1.859 669 HE2 TYR 89 HE2 TYR 89 14.816 -3.784 1.524 670 HH TYR 89 HH TYR 89 14.099 -6.987 0.775 671 H GLU 90 HN GLU 90 10.160 -1.852 7.331 672 HA GLU 90 HA GLU 90 9.395 -3.684 9.273 673 HB2 GLU 90 HB2 GLU 90 10.043 -1.300 9.664 674 HB3 GLU 90 HB3 GLU 90 8.642 -0.750 8.781 675 HG2 GLU 90 HG2 GLU 90 8.232 -0.380 11.078 676 HG3 GLU 90 HG3 GLU 90 7.132 -1.608 10.495 677 H LEU 91 HN LEU 91 7.302 -1.644 7.221 678 HA LEU 91 HA LEU 91 4.765 -2.828 7.832 679 HB2 LEU 91 HB2 LEU 91 5.789 -1.420 5.351 680 HB3 LEU 91 HB3 LEU 91 4.091 -1.680 5.706 681 HG LEU 91 HG LEU 91 5.953 -0.023 7.469 682 HD11 LEU 91 HD11 LEU 91 3.925 0.969 5.431 683 HD12 LEU 91 HD12 LEU 91 5.702 0.899 5.152 684 HD13 LEU 91 HD13 LEU 91 5.045 1.928 6.410 685 HD21 LEU 91 HD21 LEU 91 3.922 0.923 8.386 686 HD22 LEU 91 HD22 LEU 91 3.999 -0.812 8.676 687 HD23 LEU 91 HD23 LEU 91 2.930 -0.166 7.393 688 H ALA 92 HN ALA 92 7.303 -4.008 5.693 689 HA ALA 92 HA ALA 92 5.694 -5.739 4.036 690 HB1 ALA 92 HB1 ALA 92 7.676 -6.729 3.352 691 HB2 ALA 92 HB2 ALA 92 8.078 -5.027 3.616 692 HB3 ALA 92 HB3 ALA 92 8.561 -6.257 4.812 693 H THR 93 HN THR 93 7.429 -6.298 7.192 694 HA THR 93 HA THR 93 6.340 -9.034 7.286 695 HB THR 93 HB THR 93 8.506 -8.997 8.171 696 HG1 THR 93 HG1 THR 93 7.444 -10.198 9.612 697 HG21 THR 93 HG21 THR 93 9.305 -7.509 9.939 698 HG22 THR 93 HG22 THR 93 7.761 -6.623 9.882 699 HG23 THR 93 HG23 THR 93 8.869 -6.612 8.487 700 H ARG 94 HN ARG 94 5.694 -5.899 8.777 701 HA ARG 94 HA ARG 94 3.862 -6.772 10.811 702 HB2 ARG 94 HB2 ARG 94 4.243 -4.171 9.354 703 HB3 ARG 94 HB3 ARG 94 3.166 -4.382 10.725 704 HG2 ARG 94 HG2 ARG 94 6.053 -5.231 10.964 705 HG3 ARG 94 HG3 ARG 94 5.692 -3.522 10.872 706 HD2 ARG 94 HD2 ARG 94 4.546 -5.517 12.879 707 HD3 ARG 94 HD3 ARG 94 5.832 -4.325 13.088 708 HE ARG 94 HE ARG 94 2.979 -3.818 13.104 709 HH11 ARG 94 HH11 ARG 94 6.256 -2.405 12.933 710 HH12 ARG 94 HH12 ARG 94 5.750 -0.819 13.410 711 HH21 ARG 94 HH21 ARG 94 2.324 -1.698 13.807 712 HH22 ARG 94 HH22 ARG 94 3.490 -0.406 13.860 713 H LYS 95 HN LYS 95 3.485 -6.755 7.422 714 HA LYS 95 HA LYS 95 1.243 -5.544 6.855 715 HB2 LYS 95 HB2 LYS 95 2.435 -6.644 5.120 716 HB3 LYS 95 HB3 LYS 95 2.213 -8.228 5.835 717 HG2 LYS 95 HG2 LYS 95 -0.133 -8.318 5.210 718 HG3 LYS 95 HG3 LYS 95 -0.114 -6.615 4.703 719 HD2 LYS 95 HD2 LYS 95 0.635 -7.124 2.670 720 HD3 LYS 95 HD3 LYS 95 1.964 -8.063 3.339 721 HE2 LYS 95 HE2 LYS 95 0.822 -9.516 1.905 722 HE3 LYS 95 HE3 LYS 95 0.541 -10.047 3.556 723 HZ1 LYS 95 HZ1 LYS 95 -1.514 -8.327 2.436 724 HZ2 LYS 95 HZ2 LYS 95 -1.646 -9.718 3.325 725 HZ3 LYS 95 HZ3 LYS 95 -1.353 -9.806 1.735 726 H ASP 96 HN ASP 96 1.285 -8.895 8.139 727 HA ASP 96 HA ASP 96 -1.348 -9.631 7.899 728 HB2 ASP 96 HB2 ASP 96 0.387 -11.149 8.705 729 HB3 ASP 96 HB3 ASP 96 0.579 -10.198 10.187 730 H GLN 97 HN GLN 97 0.056 -7.795 10.644 731 HA GLN 97 HA GLN 97 -2.434 -7.759 12.125 732 HB2 GLN 97 HB2 GLN 97 -0.283 -7.847 13.230 733 HB3 GLN 97 HB3 GLN 97 0.254 -6.362 12.460 734 HG2 GLN 97 HG2 GLN 97 -2.226 -6.378 14.230 735 HG3 GLN 97 HG3 GLN 97 -0.604 -6.317 14.919 736 HE21 GLN 97 HE21 GLN 97 -3.119 -4.331 13.827 737 HE22 GLN 97 HE22 GLN 97 -2.194 -2.894 13.605 738 H LEU 98 HN LEU 98 -0.474 -5.417 10.304 739 HA LEU 98 HA LEU 98 -2.092 -3.123 10.671 740 HB2 LEU 98 HB2 LEU 98 -0.441 -3.832 8.199 741 HB3 LEU 98 HB3 LEU 98 -0.903 -2.207 8.693 742 HG LEU 98 HG LEU 98 0.954 -4.070 10.216 743 HD11 LEU 98 HD11 LEU 98 1.537 -1.665 8.462 744 HD12 LEU 98 HD12 LEU 98 2.030 -3.355 8.158 745 HD13 LEU 98 HD13 LEU 98 2.715 -2.456 9.527 746 HD21 LEU 98 HD21 LEU 98 1.564 -2.261 11.595 747 HD22 LEU 98 HD22 LEU 98 -0.181 -2.471 11.707 748 HD23 LEU 98 HD23 LEU 98 0.461 -1.147 10.708 749 H TRP 99 HN TRP 99 -2.274 -5.721 8.238 750 HA TRP 99 HA TRP 99 -4.156 -4.336 6.569 751 HB2 TRP 99 HB2 TRP 99 -2.579 -6.077 5.768 752 HB3 TRP 99 HB3 TRP 99 -3.442 -7.297 6.719 753 HD1 TRP 99 HD1 TRP 99 -4.970 -8.657 5.220 754 HE1 TRP 99 HE1 TRP 99 -6.276 -8.305 3.058 755 HE3 TRP 99 HE3 TRP 99 -4.035 -3.667 4.576 756 HZ2 TRP 99 HZ2 TRP 99 -7.224 -5.952 1.509 757 HZ3 TRP 99 HZ3 TRP 99 -5.285 -2.365 2.902 758 HH2 TRP 99 HH2 TRP 99 -6.918 -3.483 1.439 759 H ALA 100 HN ALA 100 -4.449 -6.867 9.093 760 HA ALA 100 HA ALA 100 -7.270 -7.207 8.866 761 HB1 ALA 100 HB1 ALA 100 -5.370 -7.401 11.260 762 HB2 ALA 100 HB2 ALA 100 -7.029 -8.025 11.233 763 HB3 ALA 100 HB3 ALA 100 -5.803 -8.737 10.155 764 H ASP 101 HN ASP 101 -5.186 -4.985 10.757 765 HA ASP 101 HA ASP 101 -7.159 -3.708 12.299 766 HB2 ASP 101 HB2 ASP 101 -4.716 -3.824 12.618 767 HB3 ASP 101 HB3 ASP 101 -4.477 -2.671 11.306 768 H TYR 102 HN TYR 102 -5.782 -2.753 9.099 769 HA TYR 102 HA TYR 102 -7.555 -0.537 8.713 770 HB2 TYR 102 HB2 TYR 102 -5.696 -2.178 7.004 771 HB3 TYR 102 HB3 TYR 102 -6.948 -1.298 6.177 772 HD1 TYR 102 HD1 TYR 102 -7.302 1.252 7.057 773 HD2 TYR 102 HD2 TYR 102 -3.631 -1.007 7.292 774 HE1 TYR 102 HE1 TYR 102 -6.027 3.348 7.146 775 HE2 TYR 102 HE2 TYR 102 -2.347 1.112 7.369 776 HH TYR 102 HH TYR 102 -3.976 4.283 7.204 777 H LEU 103 HN LEU 103 -7.962 -4.012 8.109 778 HA LEU 103 HA LEU 103 -10.380 -3.745 6.509 779 HB2 LEU 103 HB2 LEU 103 -9.088 -5.990 8.056 780 HB3 LEU 103 HB3 LEU 103 -10.788 -6.118 7.665 781 HG LEU 103 HG LEU 103 -10.452 -6.613 5.524 782 HD11 LEU 103 HD11 LEU 103 -7.966 -4.880 5.340 783 HD12 LEU 103 HD12 LEU 103 -9.570 -4.511 4.671 784 HD13 LEU 103 HD13 LEU 103 -8.626 -5.865 4.026 785 HD21 LEU 103 HD21 LEU 103 -8.521 -8.011 5.160 786 HD22 LEU 103 HD22 LEU 103 -9.054 -8.163 6.847 787 HD23 LEU 103 HD23 LEU 103 -7.624 -7.176 6.450 788 H ALA 104 HN ALA 104 -9.720 -4.124 10.008 789 HA ALA 104 HA ALA 104 -12.397 -4.249 10.891 790 HB1 ALA 104 HB1 ALA 104 -9.945 -3.081 12.289 791 HB2 ALA 104 HB2 ALA 104 -11.480 -3.507 13.057 792 HB3 ALA 104 HB3 ALA 104 -10.471 -4.777 12.343 793 H GLU 105 HN GLU 105 -10.209 -1.359 10.688 794 HA GLU 105 HA GLU 105 -12.148 0.577 11.263 795 HB2 GLU 105 HB2 GLU 105 -9.540 0.508 9.799 796 HB3 GLU 105 HB3 GLU 105 -10.593 1.824 9.335 797 HG2 GLU 105 HG2 GLU 105 -10.451 1.557 12.271 798 HG3 GLU 105 HG3 GLU 105 -8.876 1.769 11.500 799 H LEU 106 HN LEU 106 -11.419 -0.816 8.031 800 HA LEU 106 HA LEU 106 -13.439 0.708 6.670 801 HB2 LEU 106 HB2 LEU 106 -11.808 -1.724 6.025 802 HB3 LEU 106 HB3 LEU 106 -13.427 -1.811 5.373 803 HG LEU 106 HG LEU 106 -12.156 -0.838 3.601 804 HD11 LEU 106 HD11 LEU 106 -13.270 1.669 4.687 805 HD12 LEU 106 HD12 LEU 106 -14.357 0.284 4.497 806 HD13 LEU 106 HD13 LEU 106 -13.465 0.834 3.110 807 HD21 LEU 106 HD21 LEU 106 -10.140 -0.199 4.809 808 HD22 LEU 106 HD22 LEU 106 -11.025 1.006 5.724 809 HD23 LEU 106 HD23 LEU 106 -10.794 1.261 3.996 810 H ALA 107 HN ALA 107 -13.701 -2.370 8.351 811 HA ALA 107 HA ALA 107 -16.319 -3.089 7.529 812 HB1 ALA 107 HB1 ALA 107 -14.570 -4.538 8.785 813 HB2 ALA 107 HB2 ALA 107 -15.074 -3.657 10.267 814 HB3 ALA 107 HB3 ALA 107 -16.252 -4.603 9.386 815 H SER 108 HN SER 108 -15.184 -1.560 10.583 816 HA SER 108 HA SER 108 -17.752 -1.135 11.589 817 HB2 SER 108 HB2 SER 108 -15.477 0.598 12.436 818 HB3 SER 108 HB3 SER 108 -16.676 -0.345 13.354 819 HG SER 108 HG SER 108 -14.326 -0.893 13.283 820 H ALA 109 HN ALA 109 -15.535 1.068 9.803 821 HA ALA 109 HA ALA 109 -16.933 3.453 10.288 822 HB1 ALA 109 HB1 ALA 109 -14.623 3.422 9.484 823 HB2 ALA 109 HB2 ALA 109 -15.134 2.695 7.936 824 HB3 ALA 109 HB3 ALA 109 -15.625 4.341 8.352 825 H GLY 110 HN GLY 110 -18.142 0.906 8.278 826 HA2 GLY 110 HA2 GLY 110 -20.194 0.996 7.113 827 HA3 GLY 110 HA1 GLY 110 -20.222 2.743 7.298 828 H LYS 111 HN LYS 111 -17.285 1.229 5.979 829 HA LYS 111 HA LYS 111 -18.144 2.089 3.261 830 HB2 LYS 111 HB2 LYS 111 -15.384 2.401 4.402 831 HB3 LYS 111 HB3 LYS 111 -15.907 2.931 2.827 832 HG2 LYS 111 HG2 LYS 111 -16.915 4.179 5.432 833 HG3 LYS 111 HG3 LYS 111 -15.559 4.774 4.477 834 HD2 LYS 111 HD2 LYS 111 -17.094 4.898 2.473 835 HD3 LYS 111 HD3 LYS 111 -18.455 4.541 3.548 836 HE2 LYS 111 HE2 LYS 111 -18.115 6.563 4.796 837 HE3 LYS 111 HE3 LYS 111 -16.515 6.826 4.082 838 HZ1 LYS 111 HZ1 LYS 111 -19.040 6.860 2.550 839 HZ2 LYS 111 HZ2 LYS 111 -17.551 7.264 1.973 840 HZ3 LYS 111 HZ3 LYS 111 -18.294 8.200 3.111 841 H SER 112 HN SER 112 -16.571 1.140 1.701 842 HA SER 112 HA SER 112 -15.556 -1.540 2.534 843 HB2 SER 112 HB2 SER 112 -17.321 -0.728 0.252 844 HB3 SER 112 HB3 SER 112 -16.596 -2.361 0.422 845 HG SER 112 HG SER 112 -18.624 -2.506 1.337 846 H ARG 113 HN ARG 113 -14.163 -2.452 0.775 847 HA ARG 113 HA ARG 113 -12.235 -0.384 -0.063 848 HB2 ARG 113 HB2 ARG 113 -12.350 -3.376 -0.546 849 HB3 ARG 113 HB3 ARG 113 -10.941 -2.371 -0.829 850 HG2 ARG 113 HG2 ARG 113 -10.872 -1.863 1.618 851 HG3 ARG 113 HG3 ARG 113 -12.137 -3.073 1.871 852 HD2 ARG 113 HD2 ARG 113 -10.082 -4.155 0.071 853 HD3 ARG 113 HD3 ARG 113 -9.320 -3.508 1.511 854 HE ARG 113 HE ARG 113 -9.924 -5.320 2.508 855 HH11 ARG 113 HH11 ARG 113 -12.655 -4.785 0.215 856 HH12 ARG 113 HH12 ARG 113 -13.464 -6.186 0.732 857 HH21 ARG 113 HH21 ARG 113 -10.952 -7.480 2.806 858 HH22 ARG 113 HH22 ARG 113 -12.438 -7.755 1.986 859 H ASP 114 HN ASP 114 -15.051 -1.978 -1.391 860 HA ASP 114 HA ASP 114 -14.372 -1.706 -4.202 861 HB2 ASP 114 HB2 ASP 114 -16.954 -1.674 -2.650 862 HB3 ASP 114 HB3 ASP 114 -16.964 -1.515 -4.377 863 HA PRO 115 HA PRO 115 -14.875 2.715 -4.386 864 HB2 PRO 115 HB2 PRO 115 -15.259 3.112 -7.070 865 HB3 PRO 115 HB3 PRO 115 -13.743 2.400 -6.441 866 HG2 PRO 115 HG2 PRO 115 -16.159 0.926 -7.520 867 HG3 PRO 115 HG3 PRO 115 -14.459 0.732 -8.027 868 HD2 PRO 115 HD2 PRO 115 -15.742 -0.839 -6.176 869 HD3 PRO 115 HD3 PRO 115 -13.998 -0.462 -6.022 870 H ASP 116 HN ASP 116 -17.563 0.744 -5.328 871 HA ASP 116 HA ASP 116 -19.268 2.812 -4.205 872 HB2 ASP 116 HB2 ASP 116 -19.125 3.288 -6.709 873 HB3 ASP 116 HB3 ASP 116 -20.061 1.820 -6.966 874 H GLU 117 HN GLU 117 -19.015 0.935 -2.719 875 HA GLU 117 HA GLU 117 -20.171 -1.590 -3.443 876 HB2 GLU 117 HB2 GLU 117 -18.503 -0.671 -1.457 877 HB3 GLU 117 HB3 GLU 117 -19.920 -1.034 -0.505 878 HG2 GLU 117 HG2 GLU 117 -19.040 -3.134 -2.497 879 HG3 GLU 117 HG3 GLU 117 -17.949 -2.830 -1.176 880 H SER 118 HN SER 118 -21.716 -2.710 -1.745 881 HA SER 118 HA SER 118 -23.817 -3.242 -1.502 882 HB2 SER 118 HB2 SER 118 -23.859 -0.680 0.082 883 HB3 SER 118 HB3 SER 118 -24.819 -2.150 0.337 884 HG SER 118 HG SER 118 -22.261 -1.554 1.088 885 H VAL 119 HN VAL 119 -24.461 -3.141 -3.684 886 HA VAL 119 HA VAL 119 -26.355 -1.019 -4.365 887 HB VAL 119 HB VAL 119 -24.316 -0.324 -5.358 888 HG11 VAL 119 HG11 VAL 119 -22.884 -1.740 -6.825 889 HG12 VAL 119 HG12 VAL 119 -22.858 -2.243 -5.149 890 HG13 VAL 119 HG13 VAL 119 -23.814 -3.168 -6.329 891 HG21 VAL 119 HG21 VAL 119 -24.700 -0.385 -7.718 892 HG22 VAL 119 HG22 VAL 119 -25.663 -1.869 -7.583 893 HG23 VAL 119 HG23 VAL 119 -26.270 -0.329 -6.922 894 H VAL 120 HN VAL 120 -27.929 -1.776 -5.841 895 HA VAL 120 HA VAL 120 -28.093 -4.677 -6.437 896 HB VAL 120 HB VAL 120 -29.043 -4.252 -4.188 897 HG11 VAL 120 HG11 VAL 120 -31.212 -2.645 -5.573 898 HG12 VAL 120 HG12 VAL 120 -31.178 -3.140 -3.871 899 HG13 VAL 120 HG13 VAL 120 -29.969 -1.997 -4.476 900 HG21 VAL 120 HG21 VAL 120 -31.026 -5.577 -4.417 901 HG22 VAL 120 HG22 VAL 120 -31.163 -5.198 -6.141 902 HG23 VAL 120 HG23 VAL 120 -29.797 -6.162 -5.548 903 H LYS 121 HN LYS 121 -27.588 -2.278 -8.043 904 HA LYS 121 HA LYS 121 -29.974 -1.638 -9.539 905 HB2 LYS 121 HB2 LYS 121 -28.452 -0.529 -11.110 906 HB3 LYS 121 HB3 LYS 121 -28.120 -0.095 -9.444 907 HG2 LYS 121 HG2 LYS 121 -25.962 -0.441 -9.997 908 HG3 LYS 121 HG3 LYS 121 -26.322 -2.141 -9.719 909 HD2 LYS 121 HD2 LYS 121 -26.790 -2.457 -12.104 910 HD3 LYS 121 HD3 LYS 121 -26.427 -0.762 -12.443 911 HE2 LYS 121 HE2 LYS 121 -24.420 -2.492 -10.950 912 HE3 LYS 121 HE3 LYS 121 -24.568 -2.649 -12.695 913 HZ1 LYS 121 HZ1 LYS 121 -22.882 -1.107 -12.128 914 HZ2 LYS 121 HZ2 LYS 121 -23.889 -0.115 -11.311 915 HZ3 LYS 121 HZ3 LYS 121 -24.030 -0.337 -12.949 916 H LEU 122 HN LEU 122 -30.796 -2.551 -11.384 917 HA LEU 122 HA LEU 122 -30.189 -5.309 -11.918 918 HB2 LEU 122 HB2 LEU 122 -32.114 -3.261 -12.970 919 HB3 LEU 122 HB3 LEU 122 -31.713 -4.581 -14.045 920 HG LEU 122 HG LEU 122 -33.753 -4.988 -12.739 921 HD11 LEU 122 HD11 LEU 122 -32.442 -6.877 -13.640 922 HD12 LEU 122 HD12 LEU 122 -33.290 -7.308 -12.160 923 HD13 LEU 122 HD13 LEU 122 -31.547 -7.006 -12.115 924 HD21 LEU 122 HD21 LEU 122 -31.953 -5.238 -10.290 925 HD22 LEU 122 HD22 LEU 122 -33.689 -5.562 -10.377 926 HD23 LEU 122 HD23 LEU 122 -33.094 -3.908 -10.600 927 H MET 123 HN MET 123 -29.284 -6.228 -13.780 928 HA MET 123 HA MET 123 -27.892 -4.449 -15.692 929 HB2 MET 123 HB2 MET 123 -26.689 -6.646 -13.964 930 HB3 MET 123 HB3 MET 123 -25.926 -6.181 -15.475 931 HG2 MET 123 HG2 MET 123 -26.559 -4.099 -13.400 932 HG3 MET 123 HG3 MET 123 -25.155 -5.128 -13.238 933 HE1 MET 123 HE1 MET 123 -25.434 -2.258 -16.928 934 HE2 MET 123 HE2 MET 123 -26.257 -3.821 -16.926 935 HE3 MET 123 HE3 MET 123 -26.833 -2.513 -15.859 936 H LEU 124 HN LEU 124 -29.753 -7.397 -15.194 937 HA LEU 124 HA LEU 124 -29.509 -8.115 -17.960 938 HB2 LEU 124 HB2 LEU 124 -27.823 -9.544 -16.453 939 HB3 LEU 124 HB3 LEU 124 -29.312 -10.182 -15.742 940 HG LEU 124 HG LEU 124 -30.008 -10.662 -18.252 941 HD11 LEU 124 HD11 LEU 124 -26.962 -10.486 -18.499 942 HD12 LEU 124 HD12 LEU 124 -28.121 -9.383 -19.262 943 HD13 LEU 124 HD13 LEU 124 -28.091 -11.084 -19.742 944 HD21 LEU 124 HD21 LEU 124 -29.580 -12.412 -16.615 945 HD22 LEU 124 HD22 LEU 124 -27.827 -12.259 -16.843 946 HD23 LEU 124 HD23 LEU 124 -28.871 -12.839 -18.177 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 18.175 1.366 14.058 2 HA2 GLY 1 HA2 GLY 1 19.989 0.588 12.649 3 HA3 GLY 1 HA1 GLY 1 19.092 -0.921 12.408 4 H MET 2 HN MET 2 19.214 -0.524 10.062 5 HA MET 2 HA MET 2 16.728 0.771 9.317 6 HB2 MET 2 HB2 MET 2 17.437 1.836 7.348 7 HB3 MET 2 HB3 MET 2 18.352 2.480 8.707 8 HG2 MET 2 HG2 MET 2 19.831 0.304 7.837 9 HG3 MET 2 HG3 MET 2 19.239 1.038 6.349 10 HE1 MET 2 HE1 MET 2 20.815 4.700 6.651 11 HE2 MET 2 HE2 MET 2 19.718 3.671 5.725 12 HE3 MET 2 HE3 MET 2 19.244 4.236 7.340 13 H ARG 3 HN ARG 3 15.632 -0.320 7.792 14 HA ARG 3 HA ARG 3 16.726 -2.934 6.879 15 HB2 ARG 3 HB2 ARG 3 13.934 -1.950 7.621 16 HB3 ARG 3 HB3 ARG 3 14.202 -3.472 6.808 17 HG2 ARG 3 HG2 ARG 3 15.580 -2.940 9.449 18 HG3 ARG 3 HG3 ARG 3 13.886 -3.421 9.374 19 HD2 ARG 3 HD2 ARG 3 15.071 -5.413 9.626 20 HD3 ARG 3 HD3 ARG 3 14.532 -5.400 7.965 21 HE ARG 3 HE ARG 3 16.759 -4.851 7.241 22 HH11 ARG 3 HH11 ARG 3 16.537 -6.074 10.546 23 HH12 ARG 3 HH12 ARG 3 18.191 -6.583 10.625 24 HH21 ARG 3 HH21 ARG 3 19.036 -5.159 7.440 25 HH22 ARG 3 HH22 ARG 3 19.555 -6.272 8.648 26 H ILE 4 HN ILE 4 17.554 -2.259 4.812 27 HA ILE 4 HA ILE 4 15.575 -0.925 3.012 28 HB ILE 4 HB ILE 4 18.603 -0.931 2.794 29 HG12 ILE 4 HG12 ILE 4 16.717 1.206 3.841 30 HG13 ILE 4 HG13 ILE 4 17.993 0.387 4.720 31 HG21 ILE 4 HG21 ILE 4 17.374 -0.766 0.615 32 HG22 ILE 4 HG22 ILE 4 16.516 0.651 1.240 33 HG23 ILE 4 HG23 ILE 4 18.275 0.690 0.982 34 HD11 ILE 4 HD11 ILE 4 19.688 1.442 3.215 35 HD12 ILE 4 HD12 ILE 4 18.376 2.394 2.472 36 HD13 ILE 4 HD13 ILE 4 18.740 2.594 4.182 37 HA PRO 5 HA PRO 5 15.839 -5.000 1.158 38 HB2 PRO 5 HB2 PRO 5 14.679 -4.413 -1.340 39 HB3 PRO 5 HB3 PRO 5 13.806 -4.933 0.123 40 HG2 PRO 5 HG2 PRO 5 14.235 -2.198 -0.975 41 HG3 PRO 5 HG3 PRO 5 12.751 -2.865 -0.185 42 HD2 PRO 5 HD2 PRO 5 14.596 -1.166 1.023 43 HD3 PRO 5 HD3 PRO 5 13.752 -2.440 1.962 44 H SER 6 HN SER 6 16.925 -6.154 -0.331 45 HA SER 6 HA SER 6 18.592 -4.775 -2.369 46 HB2 SER 6 HB2 SER 6 19.008 -7.414 -0.900 47 HB3 SER 6 HB3 SER 6 19.807 -7.007 -2.424 48 HG SER 6 HG SER 6 19.995 -5.517 0.002 49 H ALA 7 HN ALA 7 15.675 -6.567 -1.793 50 HA ALA 7 HA ALA 7 15.548 -6.889 -4.746 51 HB1 ALA 7 HB1 ALA 7 13.660 -8.473 -4.268 52 HB2 ALA 7 HB2 ALA 7 15.270 -9.049 -3.791 53 HB3 ALA 7 HB3 ALA 7 14.139 -8.464 -2.552 54 H ILE 8 HN ILE 8 14.920 -4.927 -5.302 55 HA ILE 8 HA ILE 8 12.073 -4.378 -4.592 56 HB ILE 8 HB ILE 8 14.126 -2.657 -6.064 57 HG12 ILE 8 HG12 ILE 8 14.419 -2.482 -3.669 58 HG13 ILE 8 HG13 ILE 8 13.771 -0.992 -4.330 59 HG21 ILE 8 HG21 ILE 8 12.270 -0.964 -6.250 60 HG22 ILE 8 HG22 ILE 8 12.063 -2.391 -7.259 61 HG23 ILE 8 HG23 ILE 8 11.133 -2.236 -5.764 62 HD11 ILE 8 HD11 ILE 8 12.246 -3.113 -2.793 63 HD12 ILE 8 HD12 ILE 8 12.620 -1.447 -2.301 64 HD13 ILE 8 HD13 ILE 8 11.469 -1.720 -3.601 65 H GLN 9 HN GLN 9 11.032 -5.856 -5.787 66 HA GLN 9 HA GLN 9 11.712 -6.124 -8.681 67 HB2 GLN 9 HB2 GLN 9 11.597 -8.140 -6.641 68 HB3 GLN 9 HB3 GLN 9 10.133 -8.332 -7.603 69 HG2 GLN 9 HG2 GLN 9 11.506 -8.327 -9.672 70 HG3 GLN 9 HG3 GLN 9 12.964 -8.270 -8.672 71 HE21 GLN 9 HE21 GLN 9 11.767 -10.132 -6.569 72 HE22 GLN 9 HE22 GLN 9 11.724 -11.699 -7.329 73 H LEU 10 HN LEU 10 10.258 -4.468 -9.393 74 HA LEU 10 HA LEU 10 7.704 -4.175 -8.072 75 HB2 LEU 10 HB2 LEU 10 7.421 -2.262 -9.219 76 HB3 LEU 10 HB3 LEU 10 9.170 -2.367 -9.211 77 HG LEU 10 HG LEU 10 7.298 -3.016 -11.549 78 HD11 LEU 10 HD11 LEU 10 8.290 -1.001 -12.570 79 HD12 LEU 10 HD12 LEU 10 9.247 -0.717 -11.109 80 HD13 LEU 10 HD13 LEU 10 7.482 -0.620 -11.035 81 HD21 LEU 10 HD21 LEU 10 10.345 -2.975 -11.555 82 HD22 LEU 10 HD22 LEU 10 9.272 -3.242 -12.943 83 HD23 LEU 10 HD23 LEU 10 9.359 -4.443 -11.660 84 H HIS 11 HN HIS 11 8.568 -6.461 -10.317 85 HA HIS 11 HA HIS 11 7.666 -7.501 -12.108 86 HB2 HIS 11 HB2 HIS 11 5.503 -7.856 -9.995 87 HB3 HIS 11 HB3 HIS 11 5.584 -8.731 -11.514 88 HD1 HIS 11 HD1 HIS 11 8.194 -9.899 -11.944 89 HD2 HIS 11 HD2 HIS 11 6.961 -8.905 -8.033 90 HE1 HIS 11 HE1 HIS 11 9.626 -11.223 -10.366 91 H LYS 12 HN LYS 12 7.655 -5.474 -13.437 92 HA LYS 12 HA LYS 12 5.632 -3.713 -13.698 93 HB2 LYS 12 HB2 LYS 12 7.968 -4.437 -15.120 94 HB3 LYS 12 HB3 LYS 12 6.710 -4.500 -16.337 95 HG2 LYS 12 HG2 LYS 12 7.337 -2.113 -14.547 96 HG3 LYS 12 HG3 LYS 12 7.876 -2.367 -16.203 97 HD2 LYS 12 HD2 LYS 12 5.329 -2.526 -16.803 98 HD3 LYS 12 HD3 LYS 12 5.055 -1.845 -15.193 99 HE2 LYS 12 HE2 LYS 12 4.998 -0.020 -16.679 100 HE3 LYS 12 HE3 LYS 12 6.544 0.096 -15.829 101 HZ1 LYS 12 HZ1 LYS 12 6.182 -1.063 -18.536 102 HZ2 LYS 12 HZ2 LYS 12 7.621 -0.814 -17.774 103 HZ3 LYS 12 HZ3 LYS 12 6.684 0.455 -18.255 104 H ALA 13 HN ALA 13 5.582 -6.964 -15.051 105 HA ALA 13 HA ALA 13 3.321 -6.994 -16.674 106 HB1 ALA 13 HB1 ALA 13 3.171 -9.370 -15.985 107 HB2 ALA 13 HB2 ALA 13 4.822 -8.885 -16.423 108 HB3 ALA 13 HB3 ALA 13 4.386 -9.082 -14.723 109 H SER 14 HN SER 14 3.251 -8.170 -13.336 110 HA SER 14 HA SER 14 0.328 -7.812 -13.219 111 HB2 SER 14 HB2 SER 14 2.441 -9.633 -12.095 112 HB3 SER 14 HB3 SER 14 0.969 -9.449 -11.185 113 HG SER 14 HG SER 14 -0.204 -10.211 -12.934 114 H LYS 15 HN LYS 15 2.975 -6.126 -12.167 115 HA LYS 15 HA LYS 15 3.274 -4.376 -10.859 116 HB2 LYS 15 HB2 LYS 15 0.302 -4.101 -10.409 117 HB3 LYS 15 HB3 LYS 15 1.548 -2.858 -10.610 118 HG2 LYS 15 HG2 LYS 15 1.710 -3.810 -13.084 119 HG3 LYS 15 HG3 LYS 15 0.195 -4.623 -12.683 120 HD2 LYS 15 HD2 LYS 15 -0.633 -2.316 -11.983 121 HD3 LYS 15 HD3 LYS 15 0.788 -1.668 -12.867 122 HE2 LYS 15 HE2 LYS 15 -0.077 -3.218 -14.793 123 HE3 LYS 15 HE3 LYS 15 -1.574 -3.262 -13.812 124 HZ1 LYS 15 HZ1 LYS 15 -1.357 -1.533 -15.679 125 HZ2 LYS 15 HZ2 LYS 15 -0.404 -0.699 -14.685 126 HZ3 LYS 15 HZ3 LYS 15 -1.964 -1.029 -14.240 127 H THR 16 HN THR 16 4.111 -6.357 -9.552 128 HA THR 16 HA THR 16 2.873 -6.309 -6.854 129 HB THR 16 HB THR 16 4.201 -8.692 -8.159 130 HG1 THR 16 HG1 THR 16 2.092 -9.381 -8.603 131 HG21 THR 16 HG21 THR 16 4.041 -8.694 -5.656 132 HG22 THR 16 HG22 THR 16 3.020 -9.938 -6.399 133 HG23 THR 16 HG23 THR 16 2.285 -8.445 -5.787 134 H LEU 17 HN LEU 17 4.221 -5.200 -5.533 135 HA LEU 17 HA LEU 17 7.106 -5.014 -6.146 136 HB2 LEU 17 HB2 LEU 17 5.997 -3.021 -5.318 137 HB3 LEU 17 HB3 LEU 17 5.432 -3.901 -3.898 138 HG LEU 17 HG LEU 17 7.722 -4.220 -3.017 139 HD11 LEU 17 HD11 LEU 17 9.660 -3.269 -3.789 140 HD12 LEU 17 HD12 LEU 17 8.859 -2.580 -5.254 141 HD13 LEU 17 HD13 LEU 17 9.065 -4.345 -5.059 142 HD21 LEU 17 HD21 LEU 17 8.215 -1.867 -2.546 143 HD22 LEU 17 HD22 LEU 17 6.495 -2.232 -2.423 144 HD23 LEU 17 HD23 LEU 17 7.111 -1.355 -3.844 145 H THR 18 HN THR 18 8.210 -6.834 -5.751 146 HA THR 18 HA THR 18 7.806 -8.196 -3.157 147 HB THR 18 HB THR 18 9.193 -9.150 -5.720 148 HG1 THR 18 HG1 THR 18 7.206 -10.547 -5.686 149 HG21 THR 18 HG21 THR 18 8.321 -10.708 -3.254 150 HG22 THR 18 HG22 THR 18 9.987 -10.359 -3.736 151 HG23 THR 18 HG23 THR 18 8.990 -11.423 -4.740 152 H LEU 19 HN LEU 19 9.163 -8.653 -1.794 153 HA LEU 19 HA LEU 19 11.804 -7.315 -1.854 154 HB2 LEU 19 HB2 LEU 19 9.607 -7.246 0.260 155 HB3 LEU 19 HB3 LEU 19 11.235 -6.877 0.655 156 HG LEU 19 HG LEU 19 11.045 -5.145 -1.391 157 HD11 LEU 19 HD11 LEU 19 8.344 -5.733 -0.755 158 HD12 LEU 19 HD12 LEU 19 9.273 -5.531 -2.241 159 HD13 LEU 19 HD13 LEU 19 8.965 -4.088 -1.253 160 HD21 LEU 19 HD21 LEU 19 9.809 -4.792 1.454 161 HD22 LEU 19 HD22 LEU 19 10.295 -3.459 0.354 162 HD23 LEU 19 HD23 LEU 19 11.515 -4.522 1.060 163 H ARG 20 HN ARG 20 12.513 -7.875 0.326 164 HA ARG 20 HA ARG 20 12.185 -10.665 1.159 165 HB2 ARG 20 HB2 ARG 20 13.770 -10.911 -0.725 166 HB3 ARG 20 HB3 ARG 20 15.005 -10.099 0.230 167 HG2 ARG 20 HG2 ARG 20 14.785 -11.924 1.970 168 HG3 ARG 20 HG3 ARG 20 13.507 -12.662 0.989 169 HD2 ARG 20 HD2 ARG 20 15.500 -13.870 0.499 170 HD3 ARG 20 HD3 ARG 20 15.164 -12.834 -0.902 171 HE ARG 20 HE ARG 20 16.889 -11.462 0.914 172 HH11 ARG 20 HH11 ARG 20 17.048 -14.013 -1.635 173 HH12 ARG 20 HH12 ARG 20 18.789 -13.858 -1.720 174 HH21 ARG 20 HH21 ARG 20 19.087 -11.371 0.706 175 HH22 ARG 20 HH22 ARG 20 19.913 -12.393 -0.474 176 H TYR 21 HN TYR 21 11.589 -9.729 3.217 177 HA TYR 21 HA TYR 21 13.285 -8.168 4.860 178 HB2 TYR 21 HB2 TYR 21 10.752 -8.621 5.047 179 HB3 TYR 21 HB3 TYR 21 11.190 -10.060 5.943 180 HD1 TYR 21 HD1 TYR 21 13.035 -9.547 7.967 181 HD2 TYR 21 HD2 TYR 21 10.267 -6.712 6.259 182 HE1 TYR 21 HE1 TYR 21 13.346 -8.035 9.918 183 HE2 TYR 21 HE2 TYR 21 10.454 -5.315 8.272 184 HH TYR 21 HH TYR 21 11.732 -4.800 10.041 185 H GLY 22 HN GLY 22 15.378 -8.985 5.075 186 HA2 GLY 22 HA2 GLY 22 16.985 -10.157 6.218 187 HA3 GLY 22 HA1 GLY 22 15.750 -11.128 7.003 188 H GLU 23 HN GLU 23 14.804 -12.777 5.754 189 HA GLU 23 HA GLU 23 16.277 -13.904 3.451 190 HB2 GLU 23 HB2 GLU 23 16.415 -15.968 4.359 191 HB3 GLU 23 HB3 GLU 23 17.044 -14.842 5.587 192 HG2 GLU 23 HG2 GLU 23 14.943 -14.953 6.821 193 HG3 GLU 23 HG3 GLU 23 14.274 -15.884 5.465 194 H ASP 24 HN ASP 24 13.377 -13.020 4.958 195 HA ASP 24 HA ASP 24 11.836 -15.065 3.468 196 HB2 ASP 24 HB2 ASP 24 11.400 -13.604 5.952 197 HB3 ASP 24 HB3 ASP 24 10.093 -13.286 4.888 198 H SER 25 HN SER 25 10.357 -14.705 1.939 199 HA SER 25 HA SER 25 10.633 -12.055 0.645 200 HB2 SER 25 HB2 SER 25 10.207 -13.952 -1.357 201 HB3 SER 25 HB3 SER 25 11.675 -13.076 -0.921 202 HG SER 25 HG SER 25 12.279 -15.098 -0.868 203 H TYR 26 HN TYR 26 9.016 -10.871 0.711 204 HA TYR 26 HA TYR 26 6.259 -11.974 0.583 205 HB2 TYR 26 HB2 TYR 26 7.195 -9.405 1.893 206 HB3 TYR 26 HB3 TYR 26 5.584 -10.091 1.966 207 HD1 TYR 26 HD2 TYR 26 5.782 -12.776 2.758 208 HD2 TYR 26 HD1 TYR 26 8.376 -9.536 3.870 209 HE1 TYR 26 HE2 TYR 26 6.416 -14.019 4.785 210 HE2 TYR 26 HE1 TYR 26 9.021 -10.810 5.982 211 HH TYR 26 HH TYR 26 8.398 -14.050 6.446 212 H ASP 27 HN ASP 27 4.833 -11.055 -0.853 213 HA ASP 27 HA ASP 27 5.970 -9.271 -2.921 214 HB2 ASP 27 HB2 ASP 27 5.086 -10.659 -4.575 215 HB3 ASP 27 HB3 ASP 27 6.021 -11.691 -3.506 216 H LEU 28 HN LEU 28 4.902 -7.354 -2.468 217 HA LEU 28 HA LEU 28 2.122 -7.639 -1.517 218 HB2 LEU 28 HB2 LEU 28 3.563 -5.020 -1.783 219 HB3 LEU 28 HB3 LEU 28 2.248 -5.492 -0.716 220 HG LEU 28 HG LEU 28 5.212 -5.943 -0.472 221 HD11 LEU 28 HD11 LEU 28 4.876 -5.033 1.719 222 HD12 LEU 28 HD12 LEU 28 3.166 -5.366 1.660 223 HD13 LEU 28 HD13 LEU 28 3.872 -4.058 0.649 224 HD21 LEU 28 HD21 LEU 28 3.115 -7.705 0.799 225 HD22 LEU 28 HD22 LEU 28 4.645 -7.456 1.601 226 HD23 LEU 28 HD23 LEU 28 4.614 -8.227 0.020 227 HA PRO 29 HA PRO 29 0.675 -6.461 -5.564 228 HB2 PRO 29 HB2 PRO 29 -1.934 -5.832 -5.040 229 HB3 PRO 29 HB3 PRO 29 -1.308 -7.507 -4.995 230 HG2 PRO 29 HG2 PRO 29 -1.667 -5.580 -2.693 231 HG3 PRO 29 HG3 PRO 29 -2.249 -7.259 -2.790 232 HD2 PRO 29 HD2 PRO 29 0.052 -6.639 -1.519 233 HD3 PRO 29 HD3 PRO 29 -0.030 -8.106 -2.545 234 H ALA 30 HN ALA 30 0.141 -4.610 -6.834 235 HA ALA 30 HA ALA 30 0.764 -2.040 -5.789 236 HB1 ALA 30 HB1 ALA 30 -0.531 -2.952 -8.385 237 HB2 ALA 30 HB2 ALA 30 -0.098 -1.266 -8.026 238 HB3 ALA 30 HB3 ALA 30 1.169 -2.492 -8.061 239 H GLU 31 HN GLU 31 -2.091 -3.772 -5.053 240 HA GLU 31 HA GLU 31 -3.674 -1.295 -4.767 241 HB2 GLU 31 HB2 GLU 31 -5.460 -2.661 -4.019 242 HB3 GLU 31 HB3 GLU 31 -4.776 -3.367 -5.475 243 HG2 GLU 31 HG2 GLU 31 -3.404 -4.809 -3.713 244 HG3 GLU 31 HG3 GLU 31 -4.662 -4.350 -2.608 245 H PHE 32 HN PHE 32 -1.723 -3.571 -2.796 246 HA PHE 32 HA PHE 32 -2.833 -2.788 -0.296 247 HB2 PHE 32 HB2 PHE 32 -1.908 -4.942 -0.566 248 HB3 PHE 32 HB3 PHE 32 -0.367 -4.319 -1.148 249 HD1 PHE 32 HD1 PHE 32 -2.472 -4.965 1.873 250 HD2 PHE 32 HD2 PHE 32 1.378 -3.616 0.427 251 HE1 PHE 32 HE1 PHE 32 -1.579 -5.104 4.125 252 HE2 PHE 32 HE2 PHE 32 2.242 -3.733 2.740 253 HZ PHE 32 HZ PHE 32 0.783 -4.415 4.598 254 H LEU 33 HN LEU 33 0.101 -1.660 -1.997 255 HA LEU 33 HA LEU 33 1.173 -0.175 0.244 256 HB2 LEU 33 HB2 LEU 33 1.732 0.018 -2.738 257 HB3 LEU 33 HB3 LEU 33 2.517 0.979 -1.478 258 HG LEU 33 HG LEU 33 2.775 -1.681 -0.605 259 HD11 LEU 33 HD11 LEU 33 3.830 -2.846 -2.502 260 HD12 LEU 33 HD12 LEU 33 3.286 -1.567 -3.601 261 HD13 LEU 33 HD13 LEU 33 2.101 -2.586 -2.741 262 HD21 LEU 33 HD21 LEU 33 4.437 0.175 -0.490 263 HD22 LEU 33 HD22 LEU 33 4.792 -0.065 -2.221 264 HD23 LEU 33 HD23 LEU 33 5.112 -1.353 -1.029 265 H ARG 34 HN ARG 34 -0.769 0.781 -2.589 266 HA ARG 34 HA ARG 34 -0.898 3.516 -2.108 267 HB2 ARG 34 HB2 ARG 34 -1.561 2.559 -4.216 268 HB3 ARG 34 HB3 ARG 34 -2.821 1.594 -3.465 269 HG2 ARG 34 HG2 ARG 34 -3.778 3.436 -4.702 270 HG3 ARG 34 HG3 ARG 34 -4.154 3.592 -2.987 271 HD2 ARG 34 HD2 ARG 34 -2.411 5.348 -2.756 272 HD3 ARG 34 HD3 ARG 34 -1.924 5.105 -4.447 273 HE ARG 34 HE ARG 34 -4.539 5.640 -4.767 274 HH11 ARG 34 HH11 ARG 34 -2.078 7.532 -3.095 275 HH12 ARG 34 HH12 ARG 34 -3.060 8.941 -2.974 276 HH21 ARG 34 HH21 ARG 34 -5.594 7.429 -5.030 277 HH22 ARG 34 HH22 ARG 34 -5.097 8.969 -4.405 278 H VAL 35 HN VAL 35 -3.075 0.969 -0.737 279 HA VAL 35 HA VAL 35 -4.825 2.984 0.476 280 HB VAL 35 HB VAL 35 -5.795 1.166 1.699 281 HG11 VAL 35 HG11 VAL 35 -5.653 1.580 -1.203 282 HG12 VAL 35 HG12 VAL 35 -6.075 -0.097 -0.828 283 HG13 VAL 35 HG13 VAL 35 -7.030 1.268 -0.177 284 HG21 VAL 35 HG21 VAL 35 -3.822 -0.367 1.940 285 HG22 VAL 35 HG22 VAL 35 -5.274 -1.145 1.325 286 HG23 VAL 35 HG23 VAL 35 -3.951 -0.740 0.209 287 H HIS 36 HN HIS 36 -1.946 1.093 1.662 288 HA HIS 36 HA HIS 36 -1.990 2.783 4.083 289 HB2 HIS 36 HB2 HIS 36 -1.362 0.163 3.896 290 HB3 HIS 36 HB3 HIS 36 0.227 0.850 3.702 291 HD1 HIS 36 HD1 HIS 36 -0.706 3.413 5.838 292 HD2 HIS 36 HD2 HIS 36 -0.567 -0.786 6.376 293 HE1 HIS 36 HE1 HIS 36 -0.281 3.011 8.295 294 H SER 37 HN SER 37 -1.844 4.485 2.187 295 HA SER 37 HA SER 37 1.022 5.167 1.842 296 HB2 SER 37 HB2 SER 37 0.010 4.665 -0.244 297 HB3 SER 37 HB3 SER 37 -1.280 5.870 0.036 298 HG SER 37 HG SER 37 0.121 7.459 -0.218 299 HA PRO 38 HA PRO 38 -0.330 8.478 4.676 300 HB2 PRO 38 HB2 PRO 38 2.196 8.626 5.838 301 HB3 PRO 38 HB3 PRO 38 0.816 7.678 6.488 302 HG2 PRO 38 HG2 PRO 38 3.193 6.805 4.873 303 HG3 PRO 38 HG3 PRO 38 2.388 5.964 6.236 304 HD2 PRO 38 HD2 PRO 38 2.005 5.333 3.600 305 HD3 PRO 38 HD3 PRO 38 0.731 5.101 4.824 306 H SER 39 HN SER 39 -0.495 9.995 3.052 307 HA SER 39 HA SER 39 1.743 11.015 1.607 308 HB2 SER 39 HB2 SER 39 -0.895 12.263 2.417 309 HB3 SER 39 HB3 SER 39 0.286 12.939 1.282 310 HG SER 39 HG SER 39 0.076 11.012 0.034 311 H ALA 40 HN ALA 40 2.949 12.890 2.269 312 HA ALA 40 HA ALA 40 3.891 12.645 4.980 313 HB1 ALA 40 HB1 ALA 40 5.339 14.551 4.401 314 HB2 ALA 40 HB2 ALA 40 5.287 13.416 3.032 315 HB3 ALA 40 HB3 ALA 40 4.328 14.909 2.986 316 H GLU 41 HN GLU 41 1.668 14.744 3.388 317 HA GLU 41 HA GLU 41 1.834 16.949 5.148 318 HB2 GLU 41 HB2 GLU 41 -0.204 16.389 2.948 319 HB3 GLU 41 HB3 GLU 41 0.347 17.975 3.516 320 HG2 GLU 41 HG2 GLU 41 2.632 17.479 2.636 321 HG3 GLU 41 HG3 GLU 41 2.076 15.913 2.060 322 H VAL 42 HN VAL 42 0.669 14.390 6.011 323 HA VAL 42 HA VAL 42 -2.120 14.931 6.823 324 HB VAL 42 HB VAL 42 -0.352 12.453 6.784 325 HG11 VAL 42 HG11 VAL 42 -2.183 12.127 8.391 326 HG12 VAL 42 HG12 VAL 42 -3.365 12.611 7.173 327 HG13 VAL 42 HG13 VAL 42 -2.401 11.109 6.982 328 HG21 VAL 42 HG21 VAL 42 -0.884 13.368 4.504 329 HG22 VAL 42 HG22 VAL 42 -1.626 11.805 4.786 330 HG23 VAL 42 HG23 VAL 42 -2.604 13.300 4.895 331 H GLN 43 HN GLN 43 0.868 15.503 8.100 332 HA GLN 43 HA GLN 43 1.609 16.115 10.160 333 HB2 GLN 43 HB2 GLN 43 -1.262 16.235 11.111 334 HB3 GLN 43 HB3 GLN 43 0.108 17.226 11.602 335 HG2 GLN 43 HG2 GLN 43 -1.400 17.298 8.946 336 HG3 GLN 43 HG3 GLN 43 -1.433 18.509 10.223 337 HE21 GLN 43 HE21 GLN 43 -0.203 18.077 7.186 338 HE22 GLN 43 HE22 GLN 43 1.280 18.992 7.346 339 H GLY 44 HN GLY 44 1.455 13.332 9.556 340 HA2 GLY 44 HA2 GLY 44 1.968 11.368 10.570 341 HA3 GLY 44 HA1 GLY 44 1.907 12.169 12.145 342 H HIS 45 HN HIS 45 -0.264 11.198 9.496 343 HA HIS 45 HA HIS 45 -2.366 10.187 9.518 344 HB2 HIS 45 HB2 HIS 45 -1.945 7.872 10.516 345 HB3 HIS 45 HB3 HIS 45 -0.913 8.461 9.237 346 HD1 HIS 45 HD1 HIS 45 -0.604 7.562 13.005 347 HD2 HIS 45 HD2 HIS 45 1.570 9.071 9.742 348 HE1 HIS 45 HE1 HIS 45 1.826 7.643 13.734 349 H GLY 46 HN GLY 46 -2.829 12.204 11.262 350 HA2 GLY 46 HA2 GLY 46 -3.282 11.425 13.956 351 HA3 GLY 46 HA1 GLY 46 -3.906 12.891 13.185 352 H ASN 47 HN ASN 47 -5.455 11.290 11.134 353 HA ASN 47 HA ASN 47 -7.584 10.105 12.775 354 HB2 ASN 47 HB2 ASN 47 -9.171 11.490 11.307 355 HB3 ASN 47 HB3 ASN 47 -8.289 12.277 12.627 356 HD21 ASN 47 HD21 ASN 47 -8.713 14.317 11.782 357 HD22 ASN 47 HD22 ASN 47 -7.812 14.939 10.437 358 HA PRO 48 HA PRO 48 -7.624 7.091 9.708 359 HB2 PRO 48 HB2 PRO 48 -10.237 6.250 9.512 360 HB3 PRO 48 HB3 PRO 48 -9.218 5.974 10.955 361 HG2 PRO 48 HG2 PRO 48 -11.249 8.167 10.494 362 HG3 PRO 48 HG3 PRO 48 -11.057 7.118 11.932 363 HD2 PRO 48 HD2 PRO 48 -10.018 9.619 11.754 364 HD3 PRO 48 HD3 PRO 48 -9.164 8.325 12.661 365 H VAL 49 HN VAL 49 -7.726 6.829 7.495 366 HA VAL 49 HA VAL 49 -9.391 8.588 5.875 367 HB VAL 49 HB VAL 49 -6.520 8.139 5.143 368 HG11 VAL 49 HG11 VAL 49 -8.192 8.888 3.455 369 HG12 VAL 49 HG12 VAL 49 -8.445 10.357 4.406 370 HG13 VAL 49 HG13 VAL 49 -6.858 10.025 3.677 371 HG21 VAL 49 HG21 VAL 49 -6.000 10.503 5.937 372 HG22 VAL 49 HG22 VAL 49 -7.529 10.472 6.837 373 HG23 VAL 49 HG23 VAL 49 -6.222 9.333 7.234 374 H LEU 50 HN LEU 50 -10.443 7.269 4.658 375 HA LEU 50 HA LEU 50 -9.696 4.509 4.131 376 HB2 LEU 50 HB2 LEU 50 -12.093 5.907 4.603 377 HB3 LEU 50 HB3 LEU 50 -12.059 5.898 2.857 378 HG LEU 50 HG LEU 50 -13.337 4.111 3.648 379 HD11 LEU 50 HD11 LEU 50 -11.893 3.652 1.714 380 HD12 LEU 50 HD12 LEU 50 -12.543 2.250 2.605 381 HD13 LEU 50 HD13 LEU 50 -10.837 2.731 2.820 382 HD21 LEU 50 HD21 LEU 50 -12.344 3.876 5.941 383 HD22 LEU 50 HD22 LEU 50 -10.956 3.066 5.221 384 HD23 LEU 50 HD23 LEU 50 -12.551 2.312 5.135 385 H GLN 51 HN GLN 51 -9.403 3.774 1.973 386 HA GLN 51 HA GLN 51 -9.045 5.794 -0.181 387 HB2 GLN 51 HB2 GLN 51 -7.154 3.506 0.521 388 HB3 GLN 51 HB3 GLN 51 -6.926 4.669 -0.776 389 HG2 GLN 51 HG2 GLN 51 -6.914 5.413 2.205 390 HG3 GLN 51 HG3 GLN 51 -5.508 4.910 1.344 391 HE21 GLN 51 HE21 GLN 51 -7.641 7.569 1.959 392 HE22 GLN 51 HE22 GLN 51 -6.922 8.692 0.821 393 H TYR 52 HN TYR 52 -10.705 5.087 -1.637 394 HA TYR 52 HA TYR 52 -11.108 2.191 -2.026 395 HB2 TYR 52 HB2 TYR 52 -13.516 2.500 -2.079 396 HB3 TYR 52 HB3 TYR 52 -12.919 2.682 -0.513 397 HD1 TYR 52 HD2 TYR 52 -12.791 5.221 0.358 398 HD2 TYR 52 HD1 TYR 52 -14.625 4.106 -3.403 399 HE1 TYR 52 HE2 TYR 52 -13.978 7.387 0.264 400 HE2 TYR 52 HE1 TYR 52 -15.747 6.271 -3.508 401 HH TYR 52 HH TYR 52 -15.314 8.522 -2.611 402 H GLY 53 HN GLY 53 -12.957 2.145 -3.993 403 HA2 GLY 53 HA2 GLY 53 -13.097 2.325 -6.286 404 HA3 GLY 53 HA1 GLY 53 -12.472 3.984 -6.146 405 H LYS 54 HN LYS 54 -11.413 0.590 -5.892 406 HA LYS 54 HA LYS 54 -8.924 1.076 -7.150 407 HB2 LYS 54 HB2 LYS 54 -7.331 1.147 -5.542 408 HB3 LYS 54 HB3 LYS 54 -8.574 2.207 -4.951 409 HG2 LYS 54 HG2 LYS 54 -7.625 -0.420 -3.853 410 HG3 LYS 54 HG3 LYS 54 -7.919 1.129 -3.051 411 HD2 LYS 54 HD2 LYS 54 -10.404 0.529 -3.806 412 HD3 LYS 54 HD3 LYS 54 -9.793 -1.123 -3.715 413 HE2 LYS 54 HE2 LYS 54 -9.796 0.981 -1.545 414 HE3 LYS 54 HE3 LYS 54 -10.784 -0.472 -1.525 415 HZ1 LYS 54 HZ1 LYS 54 -8.727 -0.355 -0.096 416 HZ2 LYS 54 HZ2 LYS 54 -7.831 -0.514 -1.444 417 HZ3 LYS 54 HZ3 LYS 54 -8.880 -1.723 -0.939 418 H LEU 55 HN LEU 55 -11.047 -0.903 -7.495 419 HA LEU 55 HA LEU 55 -9.897 -3.415 -6.511 420 HB2 LEU 55 HB2 LEU 55 -12.297 -3.304 -6.838 421 HB3 LEU 55 HB3 LEU 55 -12.115 -3.011 -8.555 422 HG LEU 55 HG LEU 55 -11.114 -5.254 -8.851 423 HD11 LEU 55 HD11 LEU 55 -9.883 -5.628 -6.773 424 HD12 LEU 55 HD12 LEU 55 -11.080 -6.889 -6.950 425 HD13 LEU 55 HD13 LEU 55 -11.400 -5.561 -5.819 426 HD21 LEU 55 HD21 LEU 55 -13.591 -5.365 -7.071 427 HD22 LEU 55 HD22 LEU 55 -13.058 -6.626 -8.195 428 HD23 LEU 55 HD23 LEU 55 -13.575 -5.060 -8.816 429 H ASN 56 HN ASN 56 -9.687 -1.417 -9.372 430 HA ASN 56 HA ASN 56 -7.986 -3.420 -10.773 431 HB2 ASN 56 HB2 ASN 56 -8.741 -2.025 -12.821 432 HB3 ASN 56 HB3 ASN 56 -9.890 -3.105 -12.051 433 HD21 ASN 56 HD21 ASN 56 -11.902 -2.248 -11.507 434 HD22 ASN 56 HD22 ASN 56 -12.165 -0.537 -11.271 435 H VAL 57 HN VAL 57 -7.256 -1.100 -8.824 436 HA VAL 57 HA VAL 57 -5.581 0.794 -10.156 437 HB VAL 57 HB VAL 57 -6.446 0.909 -7.836 438 HG11 VAL 57 HG11 VAL 57 -5.438 -0.316 -6.011 439 HG12 VAL 57 HG12 VAL 57 -6.055 -1.491 -7.175 440 HG13 VAL 57 HG13 VAL 57 -4.322 -1.151 -7.112 441 HG21 VAL 57 HG21 VAL 57 -4.467 2.240 -8.580 442 HG22 VAL 57 HG22 VAL 57 -4.552 1.940 -6.826 443 HG23 VAL 57 HG23 VAL 57 -3.407 1.031 -7.830 444 H GLY 58 HN GLY 58 -3.400 0.912 -10.583 445 HA2 GLY 58 HA2 GLY 58 -1.799 -1.475 -10.100 446 HA3 GLY 58 HA1 GLY 58 -1.917 -0.724 -11.714 447 H LEU 59 HN LEU 59 0.435 -0.514 -11.508 448 HA LEU 59 HA LEU 59 1.354 1.895 -10.075 449 HB2 LEU 59 HB2 LEU 59 1.845 -0.692 -9.096 450 HB3 LEU 59 HB3 LEU 59 3.261 -0.377 -10.068 451 HG LEU 59 HG LEU 59 2.385 1.882 -8.338 452 HD11 LEU 59 HD11 LEU 59 3.185 1.121 -6.322 453 HD12 LEU 59 HD12 LEU 59 3.386 -0.543 -6.961 454 HD13 LEU 59 HD13 LEU 59 1.755 0.215 -6.875 455 HD21 LEU 59 HD21 LEU 59 5.067 0.436 -8.601 456 HD22 LEU 59 HD22 LEU 59 4.780 2.022 -7.830 457 HD23 LEU 59 HD23 LEU 59 4.566 1.845 -9.556 458 H VAL 60 HN VAL 60 3.257 2.642 -10.760 459 HA VAL 60 HA VAL 60 3.642 2.351 -13.668 460 HB VAL 60 HB VAL 60 3.748 4.970 -13.414 461 HG11 VAL 60 HG11 VAL 60 1.154 4.926 -13.671 462 HG12 VAL 60 HG12 VAL 60 2.135 4.016 -14.845 463 HG13 VAL 60 HG13 VAL 60 1.330 3.169 -13.520 464 HG21 VAL 60 HG21 VAL 60 2.188 5.863 -11.743 465 HG22 VAL 60 HG22 VAL 60 1.980 4.249 -11.032 466 HG23 VAL 60 HG23 VAL 60 3.568 5.046 -11.003 467 H GLY 61 HN GLY 61 5.055 3.460 -10.573 468 HA2 GLY 61 HA2 GLY 61 7.631 2.523 -11.434 469 HA3 GLY 61 HA1 GLY 61 7.567 4.290 -11.523 470 H VAL 62 HN VAL 62 9.278 2.756 -9.832 471 HA VAL 62 HA VAL 62 8.684 3.827 -7.217 472 HB VAL 62 HB VAL 62 7.330 2.042 -7.010 473 HG11 VAL 62 HG11 VAL 62 9.354 0.122 -8.230 474 HG12 VAL 62 HG12 VAL 62 7.803 -0.349 -7.497 475 HG13 VAL 62 HG13 VAL 62 7.816 0.634 -8.960 476 HG21 VAL 62 HG21 VAL 62 8.251 0.594 -5.316 477 HG22 VAL 62 HG22 VAL 62 9.901 0.971 -5.853 478 HG23 VAL 62 HG23 VAL 62 8.869 2.245 -5.149 479 H GLU 63 HN GLU 63 10.539 4.691 -6.764 480 HA GLU 63 HA GLU 63 13.073 3.281 -7.247 481 HB2 GLU 63 HB2 GLU 63 12.477 5.921 -8.637 482 HB3 GLU 63 HB3 GLU 63 14.093 5.260 -8.461 483 HG2 GLU 63 HG2 GLU 63 13.195 3.090 -9.504 484 HG3 GLU 63 HG3 GLU 63 11.772 4.028 -9.978 485 HA PRO 64 HA PRO 64 14.061 4.741 -3.438 486 HB2 PRO 64 HB2 PRO 64 16.732 4.338 -3.242 487 HB3 PRO 64 HB3 PRO 64 15.617 3.018 -3.705 488 HG2 PRO 64 HG2 PRO 64 17.230 4.790 -5.573 489 HG3 PRO 64 HG3 PRO 64 17.184 3.001 -5.517 490 HD2 PRO 64 HD2 PRO 64 15.598 4.441 -7.212 491 HD3 PRO 64 HD3 PRO 64 15.023 2.936 -6.443 492 H ALA 65 HN ALA 65 13.342 7.013 -3.709 493 HA ALA 65 HA ALA 65 15.279 9.028 -4.443 494 HB1 ALA 65 HB1 ALA 65 12.933 9.476 -4.759 495 HB2 ALA 65 HB2 ALA 65 12.611 9.304 -3.016 496 HB3 ALA 65 HB3 ALA 65 13.592 10.653 -3.613 497 H GLY 66 HN GLY 66 16.209 10.598 -3.172 498 HA2 GLY 66 HA2 GLY 66 17.224 11.588 -1.409 499 HA3 GLY 66 HA1 GLY 66 16.031 10.782 -0.366 500 H GLN 67 HN GLN 67 17.059 8.092 -0.984 501 HA GLN 67 HA GLN 67 18.667 6.528 -0.767 502 HB2 GLN 67 HB2 GLN 67 20.069 8.360 1.112 503 HB3 GLN 67 HB3 GLN 67 20.620 6.814 0.450 504 HG2 GLN 67 HG2 GLN 67 20.228 8.764 -1.663 505 HG3 GLN 67 HG3 GLN 67 21.144 9.510 -0.379 506 HE21 GLN 67 HE21 GLN 67 21.996 9.172 -2.994 507 HE22 GLN 67 HE22 GLN 67 23.398 8.124 -3.025 508 H TYR 68 HN TYR 68 16.203 7.762 0.622 509 HA TYR 68 HA TYR 68 16.365 6.065 3.024 510 HB2 TYR 68 HB2 TYR 68 15.482 8.045 4.378 511 HB3 TYR 68 HB3 TYR 68 17.203 7.941 4.086 512 HD1 TYR 68 HD2 TYR 68 14.058 9.639 3.048 513 HD2 TYR 68 HD1 TYR 68 18.351 9.650 2.904 514 HE1 TYR 68 HE2 TYR 68 14.023 11.866 1.920 515 HE2 TYR 68 HE1 TYR 68 18.372 11.834 1.842 516 HH TYR 68 HH TYR 68 15.555 13.166 0.400 517 H ALA 69 HN ALA 69 14.319 7.645 0.604 518 HA ALA 69 HA ALA 69 12.022 6.407 1.897 519 HB1 ALA 69 HB1 ALA 69 11.933 8.586 2.942 520 HB2 ALA 69 HB2 ALA 69 12.060 9.396 1.352 521 HB3 ALA 69 HB3 ALA 69 10.624 8.429 1.771 522 H LEU 70 HN LEU 70 11.113 5.283 0.438 523 HA LEU 70 HA LEU 70 11.925 5.379 -2.356 524 HB2 LEU 70 HB2 LEU 70 11.657 3.311 -1.102 525 HB3 LEU 70 HB3 LEU 70 9.966 3.704 -0.754 526 HG LEU 70 HG LEU 70 9.318 3.355 -3.052 527 HD11 LEU 70 HD11 LEU 70 12.306 3.197 -3.534 528 HD12 LEU 70 HD12 LEU 70 11.050 4.216 -4.302 529 HD13 LEU 70 HD13 LEU 70 11.133 2.516 -4.684 530 HD21 LEU 70 HD21 LEU 70 9.968 0.957 -3.368 531 HD22 LEU 70 HD22 LEU 70 9.465 1.312 -1.716 532 HD23 LEU 70 HD23 LEU 70 11.196 1.154 -2.118 533 H LYS 71 HN LYS 71 11.148 6.719 -3.767 534 HA LYS 71 HA LYS 71 8.570 8.012 -3.555 535 HB2 LYS 71 HB2 LYS 71 10.933 8.347 -5.140 536 HB3 LYS 71 HB3 LYS 71 9.735 7.761 -6.247 537 HG2 LYS 71 HG2 LYS 71 9.241 10.029 -6.396 538 HG3 LYS 71 HG3 LYS 71 8.210 9.642 -5.016 539 HD2 LYS 71 HD2 LYS 71 10.413 10.133 -3.630 540 HD3 LYS 71 HD3 LYS 71 10.931 10.982 -5.081 541 HE2 LYS 71 HE2 LYS 71 8.529 11.592 -3.301 542 HE3 LYS 71 HE3 LYS 71 10.008 12.541 -3.471 543 HZ1 LYS 71 HZ1 LYS 71 8.445 13.626 -4.763 544 HZ2 LYS 71 HZ2 LYS 71 7.804 12.256 -5.371 545 HZ3 LYS 71 HZ3 LYS 71 9.270 12.798 -5.898 546 H LEU 72 HN LEU 72 6.738 6.912 -3.858 547 HA LEU 72 HA LEU 72 6.650 4.539 -5.681 548 HB2 LEU 72 HB2 LEU 72 5.511 5.061 -2.951 549 HB3 LEU 72 HB3 LEU 72 4.431 4.290 -4.099 550 HG LEU 72 HG LEU 72 7.215 3.176 -3.863 551 HD11 LEU 72 HD11 LEU 72 6.537 1.699 -2.010 552 HD12 LEU 72 HD12 LEU 72 5.020 2.620 -1.835 553 HD13 LEU 72 HD13 LEU 72 6.592 3.398 -1.528 554 HD21 LEU 72 HD21 LEU 72 5.558 2.322 -5.543 555 HD22 LEU 72 HD22 LEU 72 4.487 1.855 -4.211 556 HD23 LEU 72 HD23 LEU 72 6.070 1.076 -4.391 557 H SER 73 HN SER 73 5.285 4.747 -7.385 558 HA SER 73 HA SER 73 3.490 7.116 -7.472 559 HB2 SER 73 HB2 SER 73 5.288 5.935 -9.637 560 HB3 SER 73 HB3 SER 73 4.116 7.233 -9.853 561 HG SER 73 HG SER 73 6.106 8.170 -9.484 562 H PHE 74 HN PHE 74 1.414 6.498 -7.813 563 HA PHE 74 HA PHE 74 0.893 3.624 -8.426 564 HB2 PHE 74 HB2 PHE 74 -0.672 5.569 -6.657 565 HB3 PHE 74 HB3 PHE 74 -1.087 3.893 -6.969 566 HD1 PHE 74 HD1 PHE 74 0.643 2.090 -6.258 567 HD2 PHE 74 HD2 PHE 74 0.683 6.107 -4.733 568 HE1 PHE 74 HE1 PHE 74 1.967 1.358 -4.313 569 HE2 PHE 74 HE2 PHE 74 1.858 5.352 -2.709 570 HZ PHE 74 HZ PHE 74 2.538 2.979 -2.485 571 H ASP 75 HN ASP 75 -0.575 3.240 -10.015 572 HA ASP 75 HA ASP 75 -1.087 5.570 -11.701 573 HB2 ASP 75 HB2 ASP 75 -1.908 4.217 -13.387 574 HB3 ASP 75 HB3 ASP 75 -0.542 3.401 -12.656 575 H ASP 76 HN ASP 76 -2.669 4.545 -9.027 576 HA ASP 76 HA ASP 76 -5.405 5.193 -9.532 577 HB2 ASP 76 HB2 ASP 76 -4.285 4.118 -7.443 578 HB3 ASP 76 HB3 ASP 76 -3.854 5.745 -6.980 579 H GLY 77 HN GLY 77 -2.553 7.192 -9.341 580 HA2 GLY 77 HA2 GLY 77 -2.578 9.459 -10.138 581 HA3 GLY 77 HA1 GLY 77 -4.162 9.702 -9.378 582 H HIS 78 HN HIS 78 -2.481 11.527 -8.729 583 HA HIS 78 HA HIS 78 -1.348 12.669 -7.196 584 HB2 HIS 78 HB2 HIS 78 -3.538 12.359 -6.117 585 HB3 HIS 78 HB3 HIS 78 -2.915 10.953 -5.254 586 HD1 HIS 78 HD1 HIS 78 -2.174 11.593 -2.825 587 HD2 HIS 78 HD2 HIS 78 -1.782 14.710 -5.654 588 HE1 HIS 78 HE1 HIS 78 -1.430 13.645 -1.541 589 H ASP 79 HN ASP 79 0.646 11.814 -7.944 590 HA ASP 79 HA ASP 79 2.037 9.659 -6.642 591 HB2 ASP 79 HB2 ASP 79 3.175 11.989 -8.236 592 HB3 ASP 79 HB3 ASP 79 3.969 10.456 -7.901 593 H SER 80 HN SER 80 1.573 10.489 -4.271 594 HA SER 80 HA SER 80 3.837 12.134 -3.344 595 HB2 SER 80 HB2 SER 80 1.932 13.671 -4.084 596 HB3 SER 80 HB3 SER 80 0.987 12.997 -2.750 597 HG SER 80 HG SER 80 2.778 14.942 -2.725 598 H GLY 81 HN GLY 81 4.674 11.018 -1.667 599 HA2 GLY 81 HA2 GLY 81 3.471 10.978 0.761 600 HA3 GLY 81 HA1 GLY 81 3.251 9.308 0.170 601 H LEU 82 HN LEU 82 4.647 9.430 2.422 602 HA LEU 82 HA LEU 82 7.528 9.660 1.727 603 HB2 LEU 82 HB2 LEU 82 6.458 11.508 3.182 604 HB3 LEU 82 HB3 LEU 82 6.559 10.318 4.482 605 HG LEU 82 HG LEU 82 8.922 11.101 2.722 606 HD11 LEU 82 HD11 LEU 82 9.645 12.617 4.502 607 HD12 LEU 82 HD12 LEU 82 8.167 12.273 5.428 608 HD13 LEU 82 HD13 LEU 82 8.073 13.103 3.863 609 HD21 LEU 82 HD21 LEU 82 10.297 10.268 4.635 610 HD22 LEU 82 HD22 LEU 82 9.326 8.999 3.906 611 HD23 LEU 82 HD23 LEU 82 8.818 9.715 5.440 612 H PHE 83 HN PHE 83 8.117 7.608 1.494 613 HA PHE 83 HA PHE 83 7.227 5.558 3.465 614 HB2 PHE 83 HB2 PHE 83 8.019 5.471 0.536 615 HB3 PHE 83 HB3 PHE 83 7.874 4.047 1.540 616 HD1 PHE 83 HD1 PHE 83 5.621 3.859 2.952 617 HD2 PHE 83 HD2 PHE 83 6.124 6.045 -0.738 618 HE1 PHE 83 HE1 PHE 83 3.181 3.631 2.463 619 HE2 PHE 83 HE2 PHE 83 3.692 5.763 -1.221 620 HZ PHE 83 HZ PHE 83 2.272 4.476 0.401 621 H THR 84 HN THR 84 8.957 6.241 4.947 622 HA THR 84 HA THR 84 11.699 5.952 4.196 623 HB THR 84 HB THR 84 10.595 5.448 6.968 624 HG1 THR 84 HG1 THR 84 9.724 7.407 6.391 625 HG21 THR 84 HG21 THR 84 13.205 6.592 5.908 626 HG22 THR 84 HG22 THR 84 12.959 5.035 6.758 627 HG23 THR 84 HG23 THR 84 12.744 6.547 7.633 628 H TRP 85 HN TRP 85 13.045 4.183 4.497 629 HA TRP 85 HA TRP 85 12.037 1.839 3.468 630 HB2 TRP 85 HB2 TRP 85 14.623 2.350 4.992 631 HB3 TRP 85 HB3 TRP 85 14.267 0.899 4.060 632 HD1 TRP 85 HD1 TRP 85 16.090 3.902 3.561 633 HE1 TRP 85 HE1 TRP 85 16.587 4.180 1.018 634 HE3 TRP 85 HE3 TRP 85 12.686 0.593 1.675 635 HZ2 TRP 85 HZ2 TRP 85 15.625 3.116 -1.433 636 HZ3 TRP 85 HZ3 TRP 85 12.591 0.127 -0.722 637 HH2 TRP 85 HH2 TRP 85 14.038 1.376 -2.330 638 H ASP 86 HN ASP 86 12.584 2.447 6.972 639 HA ASP 86 HA ASP 86 12.402 -0.393 7.579 640 HB2 ASP 86 HB2 ASP 86 13.367 1.789 8.955 641 HB3 ASP 86 HB3 ASP 86 11.854 1.472 9.808 642 H TYR 87 HN TYR 87 10.121 2.254 7.521 643 HA TYR 87 HA TYR 87 7.753 0.934 8.456 644 HB2 TYR 87 HB2 TYR 87 7.850 3.320 8.300 645 HB3 TYR 87 HB3 TYR 87 8.312 3.279 6.612 646 HD1 TYR 87 HD1 TYR 87 5.551 1.473 8.419 647 HD2 TYR 87 HD2 TYR 87 6.608 4.439 5.460 648 HE1 TYR 87 HE1 TYR 87 3.228 1.655 7.803 649 HE2 TYR 87 HE2 TYR 87 4.185 4.646 4.807 650 HH TYR 87 HH TYR 87 1.690 2.595 6.323 651 H LEU 88 HN LEU 88 9.234 1.233 5.161 652 HA LEU 88 HA LEU 88 7.138 -0.243 3.888 653 HB2 LEU 88 HB2 LEU 88 10.058 0.154 3.111 654 HB3 LEU 88 HB3 LEU 88 8.881 -0.680 2.104 655 HG LEU 88 HG LEU 88 8.680 2.220 3.026 656 HD11 LEU 88 HD11 LEU 88 10.195 2.445 1.385 657 HD12 LEU 88 HD12 LEU 88 8.798 2.252 0.307 658 HD13 LEU 88 HD13 LEU 88 9.857 0.874 0.655 659 HD21 LEU 88 HD21 LEU 88 6.766 2.128 1.176 660 HD22 LEU 88 HD22 LEU 88 6.458 1.666 2.854 661 HD23 LEU 88 HD23 LEU 88 6.696 0.423 1.649 662 H TYR 89 HN TYR 89 10.296 -1.425 5.153 663 HA TYR 89 HA TYR 89 9.641 -4.174 4.498 664 HB2 TYR 89 HB2 TYR 89 11.841 -2.740 5.752 665 HB3 TYR 89 HB3 TYR 89 11.472 -4.182 6.639 666 HD1 TYR 89 HD1 TYR 89 10.587 -6.077 4.275 667 HD2 TYR 89 HD2 TYR 89 13.838 -3.281 4.706 668 HE1 TYR 89 HE1 TYR 89 11.801 -7.257 2.622 669 HE2 TYR 89 HE2 TYR 89 15.206 -4.672 3.190 670 HH TYR 89 HH TYR 89 14.570 -7.624 2.207 671 H GLU 90 HN GLU 90 8.861 -2.153 7.329 672 HA GLU 90 HA GLU 90 7.919 -4.244 8.975 673 HB2 GLU 90 HB2 GLU 90 8.292 -1.798 9.522 674 HB3 GLU 90 HB3 GLU 90 6.769 -1.447 8.684 675 HG2 GLU 90 HG2 GLU 90 5.575 -2.945 10.262 676 HG3 GLU 90 HG3 GLU 90 7.112 -3.213 11.105 677 H LEU 91 HN LEU 91 6.168 -2.280 6.511 678 HA LEU 91 HA LEU 91 3.694 -3.713 6.546 679 HB2 LEU 91 HB2 LEU 91 5.062 -2.286 4.231 680 HB3 LEU 91 HB3 LEU 91 3.373 -2.742 4.291 681 HG LEU 91 HG LEU 91 4.588 -0.778 6.267 682 HD11 LEU 91 HD11 LEU 91 4.744 -0.034 3.831 683 HD12 LEU 91 HD12 LEU 91 3.830 1.014 4.906 684 HD13 LEU 91 HD13 LEU 91 2.959 -0.061 3.819 685 HD21 LEU 91 HD21 LEU 91 1.718 -1.385 5.488 686 HD22 LEU 91 HD22 LEU 91 2.242 -0.072 6.559 687 HD23 LEU 91 HD23 LEU 91 2.517 -1.745 7.046 688 H ALA 92 HN ALA 92 6.706 -4.410 4.768 689 HA ALA 92 HA ALA 92 5.899 -6.302 2.917 690 HB1 ALA 92 HB1 ALA 92 8.280 -5.511 3.315 691 HB2 ALA 92 HB2 ALA 92 8.388 -6.716 4.615 692 HB3 ALA 92 HB3 ALA 92 8.096 -7.245 2.977 693 H THR 93 HN THR 93 6.873 -7.028 6.225 694 HA THR 93 HA THR 93 6.130 -9.850 5.875 695 HB THR 93 HB THR 93 8.117 -9.252 7.037 696 HG1 THR 93 HG1 THR 93 7.979 -10.631 8.671 697 HG21 THR 93 HG21 THR 93 6.488 -8.095 9.267 698 HG22 THR 93 HG22 THR 93 7.475 -7.172 8.095 699 HG23 THR 93 HG23 THR 93 8.258 -8.319 9.180 700 H ARG 94 HN ARG 94 4.646 -7.046 7.305 701 HA ARG 94 HA ARG 94 2.573 -8.478 8.746 702 HB2 ARG 94 HB2 ARG 94 2.990 -5.570 7.936 703 HB3 ARG 94 HB3 ARG 94 1.765 -6.096 9.085 704 HG2 ARG 94 HG2 ARG 94 4.689 -6.763 9.609 705 HG3 ARG 94 HG3 ARG 94 4.108 -5.152 9.857 706 HD2 ARG 94 HD2 ARG 94 3.855 -6.183 11.966 707 HD3 ARG 94 HD3 ARG 94 2.231 -6.203 11.297 708 HE ARG 94 HE ARG 94 2.292 -8.524 11.201 709 HH11 ARG 94 HH11 ARG 94 5.670 -7.438 11.782 710 HH12 ARG 94 HH12 ARG 94 6.180 -9.027 12.265 711 HH21 ARG 94 HH21 ARG 94 3.017 -10.517 11.785 712 HH22 ARG 94 HH22 ARG 94 4.683 -10.849 12.144 713 H LYS 95 HN LYS 95 2.876 -7.973 5.453 714 HA LYS 95 HA LYS 95 0.783 -6.613 4.602 715 HB2 LYS 95 HB2 LYS 95 2.463 -7.510 3.092 716 HB3 LYS 95 HB3 LYS 95 1.905 -9.148 3.345 717 HG2 LYS 95 HG2 LYS 95 -0.419 -7.901 2.378 718 HG3 LYS 95 HG3 LYS 95 0.861 -7.042 1.584 719 HD2 LYS 95 HD2 LYS 95 0.179 -8.768 0.140 720 HD3 LYS 95 HD3 LYS 95 1.738 -9.299 0.736 721 HE2 LYS 95 HE2 LYS 95 -0.754 -10.199 2.196 722 HE3 LYS 95 HE3 LYS 95 -0.452 -10.857 0.600 723 HZ1 LYS 95 HZ1 LYS 95 1.674 -11.700 1.364 724 HZ2 LYS 95 HZ2 LYS 95 0.393 -12.266 2.248 725 HZ3 LYS 95 HZ3 LYS 95 1.394 -11.151 2.898 726 H ASP 96 HN ASP 96 0.492 -10.151 4.941 727 HA ASP 96 HA ASP 96 -2.115 -10.371 3.988 728 HB2 ASP 96 HB2 ASP 96 -0.203 -12.096 5.161 729 HB3 ASP 96 HB3 ASP 96 -1.632 -12.322 6.128 730 H GLN 97 HN GLN 97 -1.071 -9.869 7.336 731 HA GLN 97 HA GLN 97 -3.613 -9.978 8.599 732 HB2 GLN 97 HB2 GLN 97 -1.557 -10.445 9.744 733 HB3 GLN 97 HB3 GLN 97 -0.859 -8.886 9.327 734 HG2 GLN 97 HG2 GLN 97 -1.591 -9.163 11.717 735 HG3 GLN 97 HG3 GLN 97 -2.169 -7.734 10.880 736 HE21 GLN 97 HE21 GLN 97 -4.168 -7.293 11.610 737 HE22 GLN 97 HE22 GLN 97 -5.529 -8.396 11.656 738 H LEU 98 HN LEU 98 -1.539 -7.171 7.722 739 HA LEU 98 HA LEU 98 -3.327 -5.046 8.276 740 HB2 LEU 98 HB2 LEU 98 -0.963 -5.582 6.480 741 HB3 LEU 98 HB3 LEU 98 -1.926 -4.206 6.033 742 HG LEU 98 HG LEU 98 -1.388 -2.980 7.957 743 HD11 LEU 98 HD11 LEU 98 -0.495 -5.556 9.284 744 HD12 LEU 98 HD12 LEU 98 -1.858 -4.503 9.727 745 HD13 LEU 98 HD13 LEU 98 -0.217 -3.910 9.934 746 HD21 LEU 98 HD21 LEU 98 1.013 -4.665 7.179 747 HD22 LEU 98 HD22 LEU 98 1.092 -3.164 8.126 748 HD23 LEU 98 HD23 LEU 98 0.474 -3.129 6.468 749 H TRP 99 HN TRP 99 -3.078 -7.082 5.367 750 HA TRP 99 HA TRP 99 -4.903 -5.491 3.867 751 HB2 TRP 99 HB2 TRP 99 -3.291 -7.059 2.874 752 HB3 TRP 99 HB3 TRP 99 -4.188 -8.420 3.540 753 HD1 TRP 99 HD1 TRP 99 -5.673 -9.502 1.842 754 HE1 TRP 99 HE1 TRP 99 -6.973 -8.765 -0.279 755 HE3 TRP 99 HE3 TRP 99 -4.664 -4.451 1.837 756 HZ2 TRP 99 HZ2 TRP 99 -7.660 -6.405 -1.614 757 HZ3 TRP 99 HZ3 TRP 99 -5.580 -3.011 0.050 758 HH2 TRP 99 HH2 TRP 99 -7.042 -3.978 -1.721 759 H ALA 100 HN ALA 100 -5.455 -8.268 6.086 760 HA ALA 100 HA ALA 100 -8.266 -8.544 5.436 761 HB1 ALA 100 HB1 ALA 100 -6.697 -9.242 7.982 762 HB2 ALA 100 HB2 ALA 100 -8.358 -9.740 7.644 763 HB3 ALA 100 HB3 ALA 100 -7.027 -10.341 6.631 764 H ASP 101 HN ASP 101 -6.433 -6.541 7.753 765 HA ASP 101 HA ASP 101 -8.657 -5.288 9.084 766 HB2 ASP 101 HB2 ASP 101 -5.747 -4.724 8.650 767 HB3 ASP 101 HB3 ASP 101 -6.735 -3.325 8.977 768 H TYR 102 HN TYR 102 -6.780 -4.302 6.150 769 HA TYR 102 HA TYR 102 -8.475 -2.172 5.464 770 HB2 TYR 102 HB2 TYR 102 -6.418 -3.835 4.048 771 HB3 TYR 102 HB3 TYR 102 -7.480 -2.898 3.053 772 HD1 TYR 102 HD1 TYR 102 -7.882 -0.333 4.371 773 HD2 TYR 102 HD2 TYR 102 -4.331 -2.802 4.404 774 HE1 TYR 102 HE1 TYR 102 -6.477 1.638 4.882 775 HE2 TYR 102 HE2 TYR 102 -2.985 -0.840 5.006 776 HH TYR 102 HH TYR 102 -4.496 2.435 5.397 777 H LEU 103 HN LEU 103 -9.024 -5.584 4.698 778 HA LEU 103 HA LEU 103 -11.231 -5.001 2.862 779 HB2 LEU 103 HB2 LEU 103 -10.608 -7.472 4.534 780 HB3 LEU 103 HB3 LEU 103 -12.145 -7.271 3.724 781 HG LEU 103 HG LEU 103 -10.907 -8.643 2.318 782 HD11 LEU 103 HD11 LEU 103 -10.570 -5.909 1.045 783 HD12 LEU 103 HD12 LEU 103 -12.077 -6.869 1.065 784 HD13 LEU 103 HD13 LEU 103 -10.647 -7.478 0.229 785 HD21 LEU 103 HD21 LEU 103 -8.582 -6.714 2.253 786 HD22 LEU 103 HD22 LEU 103 -8.733 -8.323 1.503 787 HD23 LEU 103 HD23 LEU 103 -8.665 -8.186 3.254 788 H ALA 104 HN ALA 104 -11.056 -5.366 6.445 789 HA ALA 104 HA ALA 104 -13.922 -5.310 6.763 790 HB1 ALA 104 HB1 ALA 104 -11.730 -4.479 8.696 791 HB2 ALA 104 HB2 ALA 104 -13.429 -4.798 9.100 792 HB3 ALA 104 HB3 ALA 104 -12.392 -6.124 8.518 793 H GLU 105 HN GLU 105 -11.393 -2.783 6.751 794 HA GLU 105 HA GLU 105 -12.926 -0.509 7.134 795 HB2 GLU 105 HB2 GLU 105 -10.516 -1.087 5.419 796 HB3 GLU 105 HB3 GLU 105 -11.196 0.530 5.495 797 HG2 GLU 105 HG2 GLU 105 -10.503 -1.055 8.014 798 HG3 GLU 105 HG3 GLU 105 -9.364 -0.053 7.144 799 H LEU 106 HN LEU 106 -12.237 -2.062 3.949 800 HA LEU 106 HA LEU 106 -14.272 -0.435 2.622 801 HB2 LEU 106 HB2 LEU 106 -12.238 -2.482 1.805 802 HB3 LEU 106 HB3 LEU 106 -13.744 -2.629 0.960 803 HG LEU 106 HG LEU 106 -12.463 -1.139 -0.415 804 HD11 LEU 106 HD11 LEU 106 -14.822 -0.291 0.351 805 HD12 LEU 106 HD12 LEU 106 -13.740 0.671 -0.661 806 HD13 LEU 106 HD13 LEU 106 -13.866 1.015 1.074 807 HD21 LEU 106 HD21 LEU 106 -11.669 0.243 2.166 808 HD22 LEU 106 HD22 LEU 106 -11.260 0.828 0.541 809 HD23 LEU 106 HD23 LEU 106 -10.662 -0.744 1.124 810 H ALA 107 HN ALA 107 -14.733 -2.923 4.682 811 HA ALA 107 HA ALA 107 -17.410 -3.500 3.506 812 HB1 ALA 107 HB1 ALA 107 -17.577 -5.234 5.071 813 HB2 ALA 107 HB2 ALA 107 -15.889 -5.334 4.465 814 HB3 ALA 107 HB3 ALA 107 -16.243 -4.600 6.053 815 H SER 108 HN SER 108 -15.942 -1.366 5.836 816 HA SER 108 HA SER 108 -18.499 -1.058 7.348 817 HB2 SER 108 HB2 SER 108 -16.319 -1.803 8.444 818 HB3 SER 108 HB3 SER 108 -15.706 -0.171 8.157 819 HG SER 108 HG SER 108 -17.390 0.643 9.449 820 H ALA 109 HN ALA 109 -15.999 0.729 5.535 821 HA ALA 109 HA ALA 109 -16.845 3.353 6.132 822 HB1 ALA 109 HB1 ALA 109 -14.726 2.759 5.104 823 HB2 ALA 109 HB2 ALA 109 -15.561 2.342 3.585 824 HB3 ALA 109 HB3 ALA 109 -15.599 4.009 4.203 825 H GLY 110 HN GLY 110 -18.499 0.924 4.177 826 HA2 GLY 110 HA2 GLY 110 -20.410 1.120 2.866 827 HA3 GLY 110 HA1 GLY 110 -20.619 2.783 3.449 828 H LYS 111 HN LYS 111 -17.689 1.413 1.902 829 HA LYS 111 HA LYS 111 -18.221 2.940 -0.584 830 HB2 LYS 111 HB2 LYS 111 -15.500 2.553 0.701 831 HB3 LYS 111 HB3 LYS 111 -15.882 3.477 -0.738 832 HG2 LYS 111 HG2 LYS 111 -16.778 4.240 2.071 833 HG3 LYS 111 HG3 LYS 111 -15.391 4.907 1.241 834 HD2 LYS 111 HD2 LYS 111 -16.979 5.613 -0.639 835 HD3 LYS 111 HD3 LYS 111 -18.305 5.135 0.410 836 HE2 LYS 111 HE2 LYS 111 -17.537 6.732 2.146 837 HE3 LYS 111 HE3 LYS 111 -16.183 7.213 1.097 838 HZ1 LYS 111 HZ1 LYS 111 -19.053 7.557 0.528 839 HZ2 LYS 111 HZ2 LYS 111 -17.838 7.940 -0.534 840 HZ3 LYS 111 HZ3 LYS 111 -17.988 8.751 0.880 841 H SER 112 HN SER 112 -16.255 1.876 -2.189 842 HA SER 112 HA SER 112 -15.828 -0.910 -1.435 843 HB2 SER 112 HB2 SER 112 -17.628 -0.028 -3.712 844 HB3 SER 112 HB3 SER 112 -16.790 -1.580 -3.805 845 HG SER 112 HG SER 112 -18.195 -0.931 -1.442 846 H ARG 113 HN ARG 113 -14.610 -2.210 -2.688 847 HA ARG 113 HA ARG 113 -12.234 -0.864 -3.720 848 HB2 ARG 113 HB2 ARG 113 -13.218 -3.730 -4.134 849 HB3 ARG 113 HB3 ARG 113 -11.689 -3.078 -4.672 850 HG2 ARG 113 HG2 ARG 113 -11.311 -2.555 -2.094 851 HG3 ARG 113 HG3 ARG 113 -12.579 -3.761 -1.863 852 HD2 ARG 113 HD2 ARG 113 -10.363 -4.842 -1.786 853 HD3 ARG 113 HD3 ARG 113 -11.266 -5.398 -3.204 854 HE ARG 113 HE ARG 113 -9.627 -3.104 -3.811 855 HH11 ARG 113 HH11 ARG 113 -9.557 -6.680 -3.717 856 HH12 ARG 113 HH12 ARG 113 -8.140 -6.752 -4.718 857 HH21 ARG 113 HH21 ARG 113 -7.951 -3.273 -5.359 858 HH22 ARG 113 HH22 ARG 113 -7.184 -4.819 -5.545 859 H ASP 114 HN ASP 114 -15.156 -2.434 -5.062 860 HA ASP 114 HA ASP 114 -14.325 -2.164 -7.795 861 HB2 ASP 114 HB2 ASP 114 -16.834 -2.871 -6.371 862 HB3 ASP 114 HB3 ASP 114 -17.064 -2.067 -7.917 863 HA PRO 115 HA PRO 115 -14.764 2.122 -8.282 864 HB2 PRO 115 HB2 PRO 115 -15.453 2.392 -10.972 865 HB3 PRO 115 HB3 PRO 115 -13.813 1.953 -10.397 866 HG2 PRO 115 HG2 PRO 115 -16.007 0.124 -11.381 867 HG3 PRO 115 HG3 PRO 115 -14.260 0.086 -11.776 868 HD2 PRO 115 HD2 PRO 115 -15.393 -1.539 -9.909 869 HD3 PRO 115 HD3 PRO 115 -13.732 -0.912 -9.700 870 H ASP 116 HN ASP 116 -17.460 0.200 -9.543 871 HA ASP 116 HA ASP 116 -19.371 2.077 -8.262 872 HB2 ASP 116 HB2 ASP 116 -19.116 2.528 -10.734 873 HB3 ASP 116 HB3 ASP 116 -19.716 0.899 -11.045 874 H GLU 117 HN GLU 117 -18.836 0.147 -6.680 875 HA GLU 117 HA GLU 117 -20.309 -2.250 -7.289 876 HB2 GLU 117 HB2 GLU 117 -18.486 -1.758 -5.405 877 HB3 GLU 117 HB3 GLU 117 -19.910 -1.315 -4.439 878 HG2 GLU 117 HG2 GLU 117 -20.941 -3.518 -5.014 879 HG3 GLU 117 HG3 GLU 117 -19.547 -3.855 -6.044 880 H SER 118 HN SER 118 -22.452 -2.724 -6.842 881 HA SER 118 HA SER 118 -24.218 -0.505 -5.930 882 HB2 SER 118 HB2 SER 118 -24.298 -1.205 -8.337 883 HB3 SER 118 HB3 SER 118 -24.794 -2.812 -7.798 884 HG SER 118 HG SER 118 -26.522 -1.435 -8.377 885 H VAL 119 HN VAL 119 -23.110 -1.624 -3.816 886 HA VAL 119 HA VAL 119 -25.320 -3.227 -2.748 887 HB VAL 119 HB VAL 119 -22.496 -4.189 -2.200 888 HG11 VAL 119 HG11 VAL 119 -24.237 -4.767 -0.543 889 HG12 VAL 119 HG12 VAL 119 -25.265 -5.430 -1.831 890 HG13 VAL 119 HG13 VAL 119 -23.722 -6.212 -1.429 891 HG21 VAL 119 HG21 VAL 119 -22.897 -6.102 -3.659 892 HG22 VAL 119 HG22 VAL 119 -24.439 -5.406 -4.207 893 HG23 VAL 119 HG23 VAL 119 -22.918 -4.593 -4.609 894 H VAL 120 HN VAL 120 -25.977 -2.317 -0.939 895 HA VAL 120 HA VAL 120 -24.124 -1.917 1.202 896 HB VAL 120 HB VAL 120 -24.235 0.333 0.204 897 HG11 VAL 120 HG11 VAL 120 -26.494 0.340 -0.751 898 HG12 VAL 120 HG12 VAL 120 -27.212 0.288 0.872 899 HG13 VAL 120 HG13 VAL 120 -26.266 1.696 0.360 900 HG21 VAL 120 HG21 VAL 120 -23.933 -0.022 2.687 901 HG22 VAL 120 HG22 VAL 120 -24.525 1.564 2.181 902 HG23 VAL 120 HG23 VAL 120 -25.657 0.414 2.870 903 H LYS 121 HN LYS 121 -25.553 -1.783 3.269 904 HA LYS 121 HA LYS 121 -28.176 -3.201 2.828 905 HB2 LYS 121 HB2 LYS 121 -27.885 -4.508 4.752 906 HB3 LYS 121 HB3 LYS 121 -26.370 -4.609 3.869 907 HG2 LYS 121 HG2 LYS 121 -25.841 -2.475 5.567 908 HG3 LYS 121 HG3 LYS 121 -27.009 -3.379 6.529 909 HD2 LYS 121 HD2 LYS 121 -24.825 -4.104 7.152 910 HD3 LYS 121 HD3 LYS 121 -25.516 -5.435 6.192 911 HE2 LYS 121 HE2 LYS 121 -24.291 -4.623 4.183 912 HE3 LYS 121 HE3 LYS 121 -23.736 -3.205 5.084 913 HZ1 LYS 121 HZ1 LYS 121 -22.016 -4.732 5.017 914 HZ2 LYS 121 HZ2 LYS 121 -22.934 -5.992 5.572 915 HZ3 LYS 121 HZ3 LYS 121 -22.526 -4.699 6.550 916 H LEU 122 HN LEU 122 -26.677 -0.389 4.083 917 HA LEU 122 HA LEU 122 -28.863 0.181 5.969 918 HB2 LEU 122 HB2 LEU 122 -26.168 0.602 6.218 919 HB3 LEU 122 HB3 LEU 122 -26.632 2.105 5.435 920 HG LEU 122 HG LEU 122 -28.571 2.080 7.319 921 HD11 LEU 122 HD11 LEU 122 -27.774 1.115 9.423 922 HD12 LEU 122 HD12 LEU 122 -26.344 0.438 8.606 923 HD13 LEU 122 HD13 LEU 122 -27.974 -0.160 8.197 924 HD21 LEU 122 HD21 LEU 122 -25.676 2.807 7.776 925 HD22 LEU 122 HD22 LEU 122 -27.037 3.342 8.814 926 HD23 LEU 122 HD23 LEU 122 -26.947 3.825 7.109 927 H MET 123 HN MET 123 -29.403 2.710 5.782 928 HA MET 123 HA MET 123 -29.770 3.518 2.968 929 HB2 MET 123 HB2 MET 123 -31.756 2.196 4.029 930 HB3 MET 123 HB3 MET 123 -32.050 3.666 4.964 931 HG2 MET 123 HG2 MET 123 -32.280 4.939 2.849 932 HG3 MET 123 HG3 MET 123 -31.907 3.488 1.921 933 HE1 MET 123 HE1 MET 123 -33.660 1.147 3.321 934 HE2 MET 123 HE2 MET 123 -35.097 1.295 2.290 935 HE3 MET 123 HE3 MET 123 -33.476 1.465 1.579 936 H LEU 124 HN LEU 124 -27.947 4.375 5.243 937 HA LEU 124 HA LEU 124 -28.487 7.216 5.182 938 HB2 LEU 124 HB2 LEU 124 -27.767 5.766 7.770 939 HB3 LEU 124 HB3 LEU 124 -27.766 7.501 7.532 940 HG LEU 124 HG LEU 124 -30.267 5.761 7.364 941 HD11 LEU 124 HD11 LEU 124 -29.289 5.723 9.622 942 HD12 LEU 124 HD12 LEU 124 -30.796 6.643 9.589 943 HD13 LEU 124 HD13 LEU 124 -29.251 7.512 9.643 944 HD21 LEU 124 HD21 LEU 124 -30.493 7.868 6.109 945 HD22 LEU 124 HD22 LEU 124 -29.888 8.796 7.498 946 HD23 LEU 124 HD23 LEU 124 -31.449 7.945 7.591 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 22.621 -1.403 10.217 2 HA2 GLY 1 HA2 GLY 1 22.411 -0.382 8.007 3 HA3 GLY 1 HA1 GLY 1 21.938 -2.077 8.012 4 H MET 2 HN MET 2 19.313 -0.454 9.592 5 HA MET 2 HA MET 2 17.169 -0.225 8.924 6 HB2 MET 2 HB2 MET 2 18.368 1.504 7.313 7 HB3 MET 2 HB3 MET 2 17.843 0.373 6.079 8 HG2 MET 2 HG2 MET 2 15.552 0.623 6.704 9 HG3 MET 2 HG3 MET 2 15.973 1.476 8.181 10 HE1 MET 2 HE1 MET 2 18.255 3.735 6.829 11 HE2 MET 2 HE2 MET 2 17.035 5.020 6.954 12 HE3 MET 2 HE3 MET 2 17.168 3.800 8.234 13 H ARG 3 HN ARG 3 15.482 -1.388 7.500 14 HA ARG 3 HA ARG 3 16.476 -4.094 6.653 15 HB2 ARG 3 HB2 ARG 3 13.842 -2.875 7.405 16 HB3 ARG 3 HB3 ARG 3 13.935 -4.295 6.376 17 HG2 ARG 3 HG2 ARG 3 15.684 -4.432 8.802 18 HG3 ARG 3 HG3 ARG 3 13.978 -4.397 9.127 19 HD2 ARG 3 HD2 ARG 3 14.079 -6.609 8.775 20 HD3 ARG 3 HD3 ARG 3 13.885 -6.202 7.115 21 HE ARG 3 HE ARG 3 16.674 -6.268 8.103 22 HH11 ARG 3 HH11 ARG 3 14.205 -7.848 6.135 23 HH12 ARG 3 HH12 ARG 3 15.331 -9.064 5.546 24 HH21 ARG 3 HH21 ARG 3 18.026 -8.002 7.467 25 HH22 ARG 3 HH22 ARG 3 17.590 -8.906 6.053 26 H ILE 4 HN ILE 4 17.726 -3.160 4.834 27 HA ILE 4 HA ILE 4 16.111 -1.694 2.847 28 HB ILE 4 HB ILE 4 19.033 -2.469 2.629 29 HG12 ILE 4 HG12 ILE 4 17.724 0.169 3.475 30 HG13 ILE 4 HG13 ILE 4 18.588 -0.944 4.539 31 HG21 ILE 4 HG21 ILE 4 17.811 -2.086 0.455 32 HG22 ILE 4 HG22 ILE 4 17.252 -0.528 1.047 33 HG23 ILE 4 HG23 ILE 4 18.983 -0.808 0.759 34 HD11 ILE 4 HD11 ILE 4 19.811 0.675 2.296 35 HD12 ILE 4 HD12 ILE 4 20.076 0.818 4.044 36 HD13 ILE 4 HD13 ILE 4 20.641 -0.629 3.184 37 HA PRO 5 HA PRO 5 15.238 -5.850 1.235 38 HB2 PRO 5 HB2 PRO 5 13.814 -5.127 -0.996 39 HB3 PRO 5 HB3 PRO 5 13.095 -5.086 0.629 40 HG2 PRO 5 HG2 PRO 5 14.281 -2.788 -0.904 41 HG3 PRO 5 HG3 PRO 5 12.757 -2.855 0.062 42 HD2 PRO 5 HD2 PRO 5 15.060 -1.782 0.999 43 HD3 PRO 5 HD3 PRO 5 13.919 -2.659 2.069 44 H SER 6 HN SER 6 15.784 -7.107 -0.548 45 HA SER 6 HA SER 6 17.585 -5.890 -2.549 46 HB2 SER 6 HB2 SER 6 18.184 -8.305 -0.809 47 HB3 SER 6 HB3 SER 6 19.064 -7.849 -2.265 48 HG SER 6 HG SER 6 19.346 -5.710 -1.148 49 H ALA 7 HN ALA 7 14.820 -7.528 -2.165 50 HA ALA 7 HA ALA 7 15.133 -8.498 -4.976 51 HB1 ALA 7 HB1 ALA 7 14.960 -10.553 -3.706 52 HB2 ALA 7 HB2 ALA 7 13.556 -9.950 -2.815 53 HB3 ALA 7 HB3 ALA 7 13.416 -10.260 -4.550 54 H ILE 8 HN ILE 8 14.661 -6.067 -4.892 55 HA ILE 8 HA ILE 8 11.856 -5.444 -4.612 56 HB ILE 8 HB ILE 8 14.276 -3.987 -5.728 57 HG12 ILE 8 HG12 ILE 8 14.321 -4.173 -3.340 58 HG13 ILE 8 HG13 ILE 8 13.913 -2.501 -3.744 59 HG21 ILE 8 HG21 ILE 8 12.326 -3.064 -6.966 60 HG22 ILE 8 HG22 ILE 8 11.613 -2.591 -5.419 61 HG23 ILE 8 HG23 ILE 8 13.152 -1.903 -5.934 62 HD11 ILE 8 HD11 ILE 8 12.359 -2.890 -2.121 63 HD12 ILE 8 HD12 ILE 8 11.399 -3.447 -3.481 64 HD13 ILE 8 HD13 ILE 8 12.259 -4.643 -2.503 65 H GLN 9 HN GLN 9 10.463 -6.306 -5.839 66 HA GLN 9 HA GLN 9 10.677 -5.989 -8.797 67 HB2 GLN 9 HB2 GLN 9 9.589 -8.339 -7.208 68 HB3 GLN 9 HB3 GLN 9 8.842 -7.865 -8.739 69 HG2 GLN 9 HG2 GLN 9 11.037 -8.107 -9.868 70 HG3 GLN 9 HG3 GLN 9 11.716 -8.726 -8.351 71 HE21 GLN 9 HE21 GLN 9 10.439 -10.666 -7.397 72 HE22 GLN 9 HE22 GLN 9 9.673 -11.778 -8.515 73 H LEU 10 HN LEU 10 8.769 -5.046 -9.708 74 HA LEU 10 HA LEU 10 6.744 -4.079 -7.796 75 HB2 LEU 10 HB2 LEU 10 6.612 -2.158 -8.927 76 HB3 LEU 10 HB3 LEU 10 8.336 -2.415 -8.970 77 HG LEU 10 HG LEU 10 6.365 -2.801 -11.270 78 HD11 LEU 10 HD11 LEU 10 7.608 -0.888 -12.268 79 HD12 LEU 10 HD12 LEU 10 8.497 -0.713 -10.744 80 HD13 LEU 10 HD13 LEU 10 6.745 -0.466 -10.775 81 HD21 LEU 10 HD21 LEU 10 7.981 -4.408 -11.749 82 HD22 LEU 10 HD22 LEU 10 9.312 -3.428 -11.105 83 HD23 LEU 10 HD23 LEU 10 8.513 -3.007 -12.653 84 H HIS 11 HN HIS 11 7.296 -6.325 -10.118 85 HA HIS 11 HA HIS 11 6.272 -7.371 -11.773 86 HB2 HIS 11 HB2 HIS 11 4.081 -7.338 -9.722 87 HB3 HIS 11 HB3 HIS 11 4.034 -8.312 -11.191 88 HD1 HIS 11 HD1 HIS 11 5.360 -10.578 -11.124 89 HD2 HIS 11 HD2 HIS 11 6.286 -7.878 -8.033 90 HE1 HIS 11 HE1 HIS 11 7.153 -11.681 -9.718 91 H LYS 12 HN LYS 12 6.287 -6.018 -13.529 92 HA LYS 12 HA LYS 12 4.165 -4.064 -14.007 93 HB2 LYS 12 HB2 LYS 12 6.243 -5.506 -15.683 94 HB3 LYS 12 HB3 LYS 12 5.072 -4.458 -16.454 95 HG2 LYS 12 HG2 LYS 12 6.320 -3.111 -14.152 96 HG3 LYS 12 HG3 LYS 12 7.560 -3.758 -15.206 97 HD2 LYS 12 HD2 LYS 12 6.901 -1.395 -15.676 98 HD3 LYS 12 HD3 LYS 12 6.771 -2.479 -17.088 99 HE2 LYS 12 HE2 LYS 12 4.321 -2.597 -16.775 100 HE3 LYS 12 HE3 LYS 12 4.462 -1.694 -15.266 101 HZ1 LYS 12 HZ1 LYS 12 3.823 -0.200 -16.868 102 HZ2 LYS 12 HZ2 LYS 12 4.980 -0.674 -17.969 103 HZ3 LYS 12 HZ3 LYS 12 5.402 0.128 -16.584 104 H ALA 13 HN ALA 13 4.636 -7.536 -14.451 105 HA ALA 13 HA ALA 13 2.382 -8.270 -15.927 106 HB1 ALA 13 HB1 ALA 13 3.617 -9.582 -13.450 107 HB2 ALA 13 HB2 ALA 13 2.530 -10.366 -14.599 108 HB3 ALA 13 HB3 ALA 13 4.132 -9.825 -15.135 109 H SER 14 HN SER 14 2.526 -7.882 -12.360 110 HA SER 14 HA SER 14 -0.421 -8.158 -12.280 111 HB2 SER 14 HB2 SER 14 1.801 -9.025 -10.406 112 HB3 SER 14 HB3 SER 14 0.071 -9.362 -10.176 113 HG SER 14 HG SER 14 0.197 -10.870 -11.596 114 H LYS 15 HN LYS 15 1.837 -5.784 -11.681 115 HA LYS 15 HA LYS 15 2.067 -3.975 -10.467 116 HB2 LYS 15 HB2 LYS 15 -0.908 -4.005 -9.946 117 HB3 LYS 15 HB3 LYS 15 0.177 -2.647 -9.954 118 HG2 LYS 15 HG2 LYS 15 -0.257 -2.286 -12.131 119 HG3 LYS 15 HG3 LYS 15 0.400 -3.826 -12.588 120 HD2 LYS 15 HD2 LYS 15 -1.684 -4.865 -12.688 121 HD3 LYS 15 HD3 LYS 15 -2.382 -3.844 -11.438 122 HE2 LYS 15 HE2 LYS 15 -2.324 -1.910 -13.016 123 HE3 LYS 15 HE3 LYS 15 -1.865 -3.017 -14.319 124 HZ1 LYS 15 HZ1 LYS 15 -4.252 -3.365 -12.651 125 HZ2 LYS 15 HZ2 LYS 15 -3.937 -4.109 -14.096 126 HZ3 LYS 15 HZ3 LYS 15 -4.305 -2.479 -14.006 127 H THR 16 HN THR 16 3.294 -5.346 -8.975 128 HA THR 16 HA THR 16 1.981 -5.746 -6.334 129 HB THR 16 HB THR 16 3.755 -7.803 -7.676 130 HG1 THR 16 HG1 THR 16 1.908 -8.937 -8.182 131 HG21 THR 16 HG21 THR 16 2.798 -9.313 -6.111 132 HG22 THR 16 HG22 THR 16 1.684 -8.089 -5.490 133 HG23 THR 16 HG23 THR 16 3.452 -7.931 -5.240 134 H LEU 17 HN LEU 17 3.291 -4.838 -4.754 135 HA LEU 17 HA LEU 17 6.160 -4.355 -5.403 136 HB2 LEU 17 HB2 LEU 17 5.001 -2.451 -4.361 137 HB3 LEU 17 HB3 LEU 17 4.583 -3.479 -2.979 138 HG LEU 17 HG LEU 17 6.910 -3.735 -2.337 139 HD11 LEU 17 HD11 LEU 17 8.736 -2.475 -3.514 140 HD12 LEU 17 HD12 LEU 17 7.602 -2.234 -4.872 141 HD13 LEU 17 HD13 LEU 17 8.124 -3.875 -4.386 142 HD21 LEU 17 HD21 LEU 17 7.506 -1.467 -1.738 143 HD22 LEU 17 HD22 LEU 17 5.745 -1.595 -1.680 144 HD23 LEU 17 HD23 LEU 17 6.522 -0.811 -3.064 145 H THR 18 HN THR 18 7.418 -6.086 -5.062 146 HA THR 18 HA THR 18 6.540 -8.126 -3.079 147 HB THR 18 HB THR 18 8.471 -8.195 -5.406 148 HG1 THR 18 HG1 THR 18 6.226 -7.866 -5.846 149 HG21 THR 18 HG21 THR 18 8.915 -9.979 -3.688 150 HG22 THR 18 HG22 THR 18 8.419 -10.586 -5.283 151 HG23 THR 18 HG23 THR 18 7.263 -10.573 -3.938 152 H LEU 19 HN LEU 19 7.704 -8.552 -1.279 153 HA LEU 19 HA LEU 19 10.299 -7.187 -0.837 154 HB2 LEU 19 HB2 LEU 19 7.813 -6.903 0.893 155 HB3 LEU 19 HB3 LEU 19 9.429 -6.421 1.382 156 HG LEU 19 HG LEU 19 7.814 -5.206 -0.864 157 HD11 LEU 19 HD11 LEU 19 7.822 -3.216 0.556 158 HD12 LEU 19 HD12 LEU 19 8.829 -4.043 1.781 159 HD13 LEU 19 HD13 LEU 19 7.168 -4.578 1.461 160 HD21 LEU 19 HD21 LEU 19 10.246 -5.182 -1.464 161 HD22 LEU 19 HD22 LEU 19 10.616 -4.418 0.084 162 HD23 LEU 19 HD23 LEU 19 9.624 -3.594 -1.167 163 H ARG 20 HN ARG 20 11.702 -8.452 0.181 164 HA ARG 20 HA ARG 20 10.772 -10.999 1.352 165 HB2 ARG 20 HB2 ARG 20 12.459 -11.431 -0.158 166 HB3 ARG 20 HB3 ARG 20 13.405 -10.006 0.284 167 HG2 ARG 20 HG2 ARG 20 14.328 -10.981 2.149 168 HG3 ARG 20 HG3 ARG 20 13.027 -12.099 2.416 169 HD2 ARG 20 HD2 ARG 20 14.913 -12.419 0.068 170 HD3 ARG 20 HD3 ARG 20 15.152 -13.167 1.667 171 HE ARG 20 HE ARG 20 12.490 -13.577 0.783 172 HH11 ARG 20 HH11 ARG 20 15.810 -14.897 0.462 173 HH12 ARG 20 HH12 ARG 20 15.248 -16.515 0.215 174 HH21 ARG 20 HH21 ARG 20 11.814 -15.712 -0.031 175 HH22 ARG 20 HH22 ARG 20 13.048 -16.932 -0.167 176 H TYR 21 HN TYR 21 9.875 -10.261 3.268 177 HA TYR 21 HA TYR 21 11.354 -8.667 5.183 178 HB2 TYR 21 HB2 TYR 21 8.849 -8.738 5.040 179 HB3 TYR 21 HB3 TYR 21 8.933 -10.392 5.645 180 HD1 TYR 21 HD1 TYR 21 9.800 -6.826 6.511 181 HD2 TYR 21 HD2 TYR 21 9.115 -10.829 7.991 182 HE1 TYR 21 HE1 TYR 21 9.927 -5.984 8.788 183 HE2 TYR 21 HE2 TYR 21 9.115 -9.988 10.266 184 HH TYR 21 HH TYR 21 9.412 -6.440 10.995 185 H GLY 22 HN GLY 22 13.323 -10.029 5.002 186 HA2 GLY 22 HA2 GLY 22 14.720 -11.091 6.679 187 HA3 GLY 22 HA1 GLY 22 13.314 -11.988 7.250 188 H GLU 23 HN GLU 23 13.119 -14.092 6.398 189 HA GLU 23 HA GLU 23 14.656 -14.693 3.889 190 HB2 GLU 23 HB2 GLU 23 14.238 -16.296 6.420 191 HB3 GLU 23 HB3 GLU 23 14.781 -17.016 4.896 192 HG2 GLU 23 HG2 GLU 23 16.503 -14.967 4.997 193 HG3 GLU 23 HG3 GLU 23 16.185 -15.051 6.709 194 H ASP 24 HN ASP 24 11.625 -14.040 4.626 195 HA ASP 24 HA ASP 24 10.471 -16.195 2.906 196 HB2 ASP 24 HB2 ASP 24 9.340 -14.466 5.122 197 HB3 ASP 24 HB3 ASP 24 8.308 -15.117 3.858 198 H SER 25 HN SER 25 8.781 -15.310 1.305 199 HA SER 25 HA SER 25 9.568 -12.658 0.262 200 HB2 SER 25 HB2 SER 25 8.659 -14.460 -1.745 201 HB3 SER 25 HB3 SER 25 10.233 -13.706 -1.550 202 HG SER 25 HG SER 25 9.883 -16.215 -1.508 203 H TYR 26 HN TYR 26 7.870 -11.300 0.413 204 HA TYR 26 HA TYR 26 5.098 -12.383 0.191 205 HB2 TYR 26 HB2 TYR 26 6.036 -9.724 1.309 206 HB3 TYR 26 HB3 TYR 26 4.436 -10.430 1.452 207 HD1 TYR 26 HD1 TYR 26 5.736 -13.332 2.254 208 HD2 TYR 26 HD2 TYR 26 6.079 -9.282 3.725 209 HE1 TYR 26 HE1 TYR 26 6.381 -14.168 4.491 210 HE2 TYR 26 HE2 TYR 26 6.681 -10.134 5.925 211 HH TYR 26 HH TYR 26 6.411 -13.271 7.004 212 H ASP 27 HN ASP 27 3.649 -11.244 -1.222 213 HA ASP 27 HA ASP 27 4.842 -9.286 -3.069 214 HB2 ASP 27 HB2 ASP 27 4.473 -10.319 -5.008 215 HB3 ASP 27 HB3 ASP 27 5.044 -11.624 -4.019 216 H LEU 28 HN LEU 28 3.795 -7.663 -2.023 217 HA LEU 28 HA LEU 28 0.991 -7.946 -1.388 218 HB2 LEU 28 HB2 LEU 28 2.454 -5.324 -1.357 219 HB3 LEU 28 HB3 LEU 28 1.213 -5.902 -0.277 220 HG LEU 28 HG LEU 28 4.180 -6.505 -0.335 221 HD11 LEU 28 HD11 LEU 28 4.211 -5.392 1.718 222 HD12 LEU 28 HD12 LEU 28 2.465 -5.645 1.993 223 HD13 LEU 28 HD13 LEU 28 3.013 -4.471 0.794 224 HD21 LEU 28 HD21 LEU 28 2.343 -7.885 1.666 225 HD22 LEU 28 HD22 LEU 28 4.092 -8.032 1.485 226 HD23 LEU 28 HD23 LEU 28 3.020 -8.715 0.263 227 HA PRO 29 HA PRO 29 -0.309 -6.070 -5.253 228 HB2 PRO 29 HB2 PRO 29 -2.871 -5.240 -4.632 229 HB3 PRO 29 HB3 PRO 29 -2.435 -6.956 -4.832 230 HG2 PRO 29 HG2 PRO 29 -2.713 -5.372 -2.298 231 HG3 PRO 29 HG3 PRO 29 -3.335 -7.010 -2.644 232 HD2 PRO 29 HD2 PRO 29 -0.981 -6.547 -1.263 233 HD3 PRO 29 HD3 PRO 29 -1.207 -7.985 -2.306 234 H ALA 30 HN ALA 30 -0.588 -4.031 -6.200 235 HA ALA 30 HA ALA 30 0.564 -1.746 -5.058 236 HB1 ALA 30 HB1 ALA 30 0.223 -2.078 -7.464 237 HB2 ALA 30 HB2 ALA 30 -1.541 -1.944 -7.265 238 HB3 ALA 30 HB3 ALA 30 -0.512 -0.544 -6.937 239 H GLU 31 HN GLU 31 -2.949 -2.640 -5.245 240 HA GLU 31 HA GLU 31 -3.709 -0.166 -4.135 241 HB2 GLU 31 HB2 GLU 31 -5.890 -1.009 -3.898 242 HB3 GLU 31 HB3 GLU 31 -5.268 -1.835 -5.322 243 HG2 GLU 31 HG2 GLU 31 -5.049 -3.931 -4.128 244 HG3 GLU 31 HG3 GLU 31 -5.385 -3.172 -2.579 245 H PHE 32 HN PHE 32 -2.520 -3.090 -2.457 246 HA PHE 32 HA PHE 32 -3.642 -2.460 0.135 247 HB2 PHE 32 HB2 PHE 32 -2.740 -4.648 -0.174 248 HB3 PHE 32 HB3 PHE 32 -1.201 -4.030 -0.748 249 HD1 PHE 32 HD2 PHE 32 -3.379 -4.073 2.366 250 HD2 PHE 32 HD1 PHE 32 0.601 -3.743 0.696 251 HE1 PHE 32 HE2 PHE 32 -2.431 -4.211 4.600 252 HE2 PHE 32 HE1 PHE 32 1.541 -3.828 2.979 253 HZ PHE 32 HZ PHE 32 0.044 -4.069 4.942 254 H LEU 33 HN LEU 33 -0.795 -1.359 -1.689 255 HA LEU 33 HA LEU 33 0.276 0.065 0.608 256 HB2 LEU 33 HB2 LEU 33 1.005 -0.054 -2.323 257 HB3 LEU 33 HB3 LEU 33 1.809 1.038 -1.191 258 HG LEU 33 HG LEU 33 1.655 -1.620 0.008 259 HD11 LEU 33 HD11 LEU 33 2.982 -2.917 -1.488 260 HD12 LEU 33 HD12 LEU 33 3.078 -1.583 -2.668 261 HD13 LEU 33 HD13 LEU 33 1.534 -2.402 -2.343 262 HD21 LEU 33 HD21 LEU 33 4.000 0.087 -0.905 263 HD22 LEU 33 HD22 LEU 33 4.097 -1.342 0.131 264 HD23 LEU 33 HD23 LEU 33 3.229 0.098 0.698 265 H ARG 34 HN ARG 34 -1.605 1.058 -2.339 266 HA ARG 34 HA ARG 34 -1.103 3.690 -1.950 267 HB2 ARG 34 HB2 ARG 34 -2.243 4.080 -3.827 268 HB3 ARG 34 HB3 ARG 34 -2.416 2.412 -3.806 269 HG2 ARG 34 HG2 ARG 34 -4.539 4.217 -2.659 270 HG3 ARG 34 HG3 ARG 34 -4.528 3.580 -4.341 271 HD2 ARG 34 HD2 ARG 34 -4.219 1.381 -3.228 272 HD3 ARG 34 HD3 ARG 34 -4.472 2.167 -1.729 273 HE ARG 34 HE ARG 34 -6.519 1.076 -3.213 274 HH11 ARG 34 HH11 ARG 34 -6.211 4.697 -2.586 275 HH12 ARG 34 HH12 ARG 34 -7.917 4.760 -2.436 276 HH21 ARG 34 HH21 ARG 34 -8.543 1.364 -2.696 277 HH22 ARG 34 HH22 ARG 34 -9.137 2.913 -2.091 278 H VAL 35 HN VAL 35 -3.193 1.898 -0.030 279 HA VAL 35 HA VAL 35 -4.870 4.063 0.997 280 HB VAL 35 HB VAL 35 -5.889 2.433 2.398 281 HG11 VAL 35 HG11 VAL 35 -6.141 2.816 -0.291 282 HG12 VAL 35 HG12 VAL 35 -5.775 1.098 -0.293 283 HG13 VAL 35 HG13 VAL 35 -7.164 1.676 0.636 284 HG21 VAL 35 HG21 VAL 35 -4.027 0.809 2.803 285 HG22 VAL 35 HG22 VAL 35 -5.472 0.038 2.156 286 HG23 VAL 35 HG23 VAL 35 -4.099 0.352 1.084 287 H HIS 36 HN HIS 36 -2.345 1.961 2.607 288 HA HIS 36 HA HIS 36 -2.080 3.901 4.727 289 HB2 HIS 36 HB2 HIS 36 -1.587 1.176 4.490 290 HB3 HIS 36 HB3 HIS 36 0.016 1.806 4.612 291 HD1 HIS 36 HD1 HIS 36 -1.580 4.217 6.768 292 HD2 HIS 36 HD2 HIS 36 -1.108 0.023 6.917 293 HE1 HIS 36 HE1 HIS 36 -1.893 3.557 9.160 294 H SER 37 HN SER 37 -1.708 5.460 2.758 295 HA SER 37 HA SER 37 1.170 5.700 2.032 296 HB2 SER 37 HB2 SER 37 -0.495 5.099 0.222 297 HB3 SER 37 HB3 SER 37 -1.231 6.690 0.483 298 HG SER 37 HG SER 37 0.536 7.705 -0.234 299 HA PRO 38 HA PRO 38 0.073 9.247 4.842 300 HB2 PRO 38 HB2 PRO 38 2.396 9.410 6.225 301 HB3 PRO 38 HB3 PRO 38 1.197 8.115 6.522 302 HG2 PRO 38 HG2 PRO 38 3.716 7.948 4.830 303 HG3 PRO 38 HG3 PRO 38 3.154 6.813 6.089 304 HD2 PRO 38 HD2 PRO 38 2.671 6.434 3.411 305 HD3 PRO 38 HD3 PRO 38 1.532 5.898 4.659 306 H SER 39 HN SER 39 -0.043 10.938 3.214 307 HA SER 39 HA SER 39 2.095 11.569 1.487 308 HB2 SER 39 HB2 SER 39 -0.080 13.411 2.527 309 HB3 SER 39 HB3 SER 39 0.799 13.547 1.004 310 HG SER 39 HG SER 39 -1.359 12.679 0.948 311 H ALA 40 HN ALA 40 4.013 12.527 1.931 312 HA ALA 40 HA ALA 40 4.782 13.505 4.441 313 HB1 ALA 40 HB1 ALA 40 6.354 12.720 2.796 314 HB2 ALA 40 HB2 ALA 40 5.979 14.111 1.738 315 HB3 ALA 40 HB3 ALA 40 6.770 14.365 3.312 316 H GLU 41 HN GLU 41 2.910 15.122 2.060 317 HA GLU 41 HA GLU 41 3.734 17.843 2.561 318 HB2 GLU 41 HB2 GLU 41 1.531 16.439 0.959 319 HB3 GLU 41 HB3 GLU 41 1.508 18.188 1.101 320 HG2 GLU 41 HG2 GLU 41 3.742 18.349 0.083 321 HG3 GLU 41 HG3 GLU 41 3.704 16.594 -0.175 322 H VAL 42 HN VAL 42 2.538 16.271 4.747 323 HA VAL 42 HA VAL 42 0.028 17.855 5.267 324 HB VAL 42 HB VAL 42 0.696 15.057 6.166 325 HG11 VAL 42 HG11 VAL 42 -1.987 16.525 6.139 326 HG12 VAL 42 HG12 VAL 42 -1.738 14.841 6.609 327 HG13 VAL 42 HG13 VAL 42 -1.071 16.133 7.606 328 HG21 VAL 42 HG21 VAL 42 -0.978 14.395 4.405 329 HG22 VAL 42 HG22 VAL 42 -1.085 16.096 3.891 330 HG23 VAL 42 HG23 VAL 42 0.421 15.196 3.692 331 H GLN 43 HN GLN 43 3.133 17.626 6.410 332 HA GLN 43 HA GLN 43 4.173 18.274 8.358 333 HB2 GLN 43 HB2 GLN 43 3.643 20.705 8.792 334 HB3 GLN 43 HB3 GLN 43 4.368 20.180 7.302 335 HG2 GLN 43 HG2 GLN 43 1.395 20.429 7.471 336 HG3 GLN 43 HG3 GLN 43 2.396 21.880 7.290 337 HE21 GLN 43 HE21 GLN 43 0.767 21.724 5.273 338 HE22 GLN 43 HE22 GLN 43 1.572 21.094 3.832 339 H GLY 44 HN GLY 44 2.794 16.451 9.428 340 HA2 GLY 44 HA2 GLY 44 2.186 16.776 12.015 341 HA3 GLY 44 HA1 GLY 44 0.737 17.456 11.248 342 H HIS 45 HN HIS 45 0.362 15.897 9.102 343 HA HIS 45 HA HIS 45 -0.832 14.091 8.498 344 HB2 HIS 45 HB2 HIS 45 0.367 11.968 8.394 345 HB3 HIS 45 HB3 HIS 45 1.178 13.361 7.716 346 HD1 HIS 45 HD1 HIS 45 1.384 11.201 10.945 347 HD2 HIS 45 HD2 HIS 45 3.497 13.856 8.474 348 HE1 HIS 45 HE1 HIS 45 3.790 11.142 11.761 349 H GLY 46 HN GLY 46 -1.852 14.994 10.852 350 HA2 GLY 46 HA2 GLY 46 -2.705 12.511 12.288 351 HA3 GLY 46 HA1 GLY 46 -2.349 14.031 13.088 352 H ASN 47 HN ASN 47 -4.187 12.712 10.551 353 HA ASN 47 HA ASN 47 -6.674 13.585 11.698 354 HB2 ASN 47 HB2 ASN 47 -5.735 15.062 9.353 355 HB3 ASN 47 HB3 ASN 47 -7.143 14.119 8.908 356 HD21 ASN 47 HD21 ASN 47 -6.283 15.807 12.010 357 HD22 ASN 47 HD22 ASN 47 -7.857 16.617 12.085 358 HA PRO 48 HA PRO 48 -7.653 9.612 9.966 359 HB2 PRO 48 HB2 PRO 48 -10.373 9.697 9.695 360 HB3 PRO 48 HB3 PRO 48 -9.561 9.592 11.287 361 HG2 PRO 48 HG2 PRO 48 -10.760 12.014 9.956 362 HG3 PRO 48 HG3 PRO 48 -10.791 11.543 11.684 363 HD2 PRO 48 HD2 PRO 48 -9.039 13.370 10.525 364 HD3 PRO 48 HD3 PRO 48 -8.719 12.536 12.067 365 H VAL 49 HN VAL 49 -7.609 8.906 7.820 366 HA VAL 49 HA VAL 49 -8.508 10.723 5.696 367 HB VAL 49 HB VAL 49 -5.760 9.458 5.510 368 HG11 VAL 49 HG11 VAL 49 -7.021 11.810 4.033 369 HG12 VAL 49 HG12 VAL 49 -5.449 11.067 3.693 370 HG13 VAL 49 HG13 VAL 49 -6.924 10.140 3.416 371 HG21 VAL 49 HG21 VAL 49 -4.811 11.816 5.837 372 HG22 VAL 49 HG22 VAL 49 -6.357 12.225 6.618 373 HG23 VAL 49 HG23 VAL 49 -5.311 10.930 7.265 374 H LEU 50 HN LEU 50 -9.540 9.472 4.159 375 HA LEU 50 HA LEU 50 -9.378 6.558 4.474 376 HB2 LEU 50 HB2 LEU 50 -11.508 8.289 4.913 377 HB3 LEU 50 HB3 LEU 50 -11.730 7.934 3.214 378 HG LEU 50 HG LEU 50 -13.020 6.422 4.428 379 HD11 LEU 50 HD11 LEU 50 -11.786 5.359 2.589 380 HD12 LEU 50 HD12 LEU 50 -12.268 4.238 3.883 381 HD13 LEU 50 HD13 LEU 50 -10.587 4.774 3.789 382 HD21 LEU 50 HD21 LEU 50 -12.284 5.051 6.282 383 HD22 LEU 50 HD22 LEU 50 -11.822 6.712 6.638 384 HD23 LEU 50 HD23 LEU 50 -10.592 5.566 6.054 385 H GLN 51 HN GLN 51 -9.303 5.345 2.593 386 HA GLN 51 HA GLN 51 -8.752 6.810 0.112 387 HB2 GLN 51 HB2 GLN 51 -7.351 4.265 0.891 388 HB3 GLN 51 HB3 GLN 51 -6.899 5.464 -0.316 389 HG2 GLN 51 HG2 GLN 51 -5.424 5.920 1.448 390 HG3 GLN 51 HG3 GLN 51 -6.671 7.111 1.642 391 HE21 GLN 51 HE21 GLN 51 -5.742 7.106 3.741 392 HE22 GLN 51 HE22 GLN 51 -6.613 6.211 4.996 393 H TYR 52 HN TYR 52 -11.097 6.387 -0.276 394 HA TYR 52 HA TYR 52 -11.835 3.658 -1.084 395 HB2 TYR 52 HB2 TYR 52 -13.964 4.883 -1.730 396 HB3 TYR 52 HB3 TYR 52 -13.611 4.785 -0.093 397 HD1 TYR 52 HD1 TYR 52 -12.523 7.011 1.012 398 HD2 TYR 52 HD2 TYR 52 -14.399 6.800 -2.882 399 HE1 TYR 52 HE1 TYR 52 -13.211 9.384 1.197 400 HE2 TYR 52 HE2 TYR 52 -15.060 9.101 -2.715 401 HH TYR 52 HH TYR 52 -14.762 11.081 -1.504 402 H GLY 53 HN GLY 53 -13.258 4.253 -3.258 403 HA2 GLY 53 HA2 GLY 53 -13.415 4.535 -5.461 404 HA3 GLY 53 HA1 GLY 53 -12.481 5.997 -5.191 405 H LYS 54 HN LYS 54 -10.712 3.051 -4.568 406 HA LYS 54 HA LYS 54 -9.593 3.025 -7.318 407 HB2 LYS 54 HB2 LYS 54 -8.149 3.859 -4.827 408 HB3 LYS 54 HB3 LYS 54 -7.271 3.066 -6.122 409 HG2 LYS 54 HG2 LYS 54 -6.915 5.156 -6.773 410 HG3 LYS 54 HG3 LYS 54 -8.458 4.952 -7.575 411 HD2 LYS 54 HD2 LYS 54 -8.665 7.034 -6.596 412 HD3 LYS 54 HD3 LYS 54 -9.509 6.038 -5.446 413 HE2 LYS 54 HE2 LYS 54 -8.229 6.837 -3.810 414 HE3 LYS 54 HE3 LYS 54 -6.826 6.024 -4.549 415 HZ1 LYS 54 HZ1 LYS 54 -7.745 8.751 -5.199 416 HZ2 LYS 54 HZ2 LYS 54 -6.452 7.938 -5.867 417 HZ3 LYS 54 HZ3 LYS 54 -6.404 8.358 -4.300 418 H LEU 55 HN LEU 55 -11.097 1.023 -6.859 419 HA LEU 55 HA LEU 55 -9.873 -1.224 -5.516 420 HB2 LEU 55 HB2 LEU 55 -12.341 -1.044 -6.186 421 HB3 LEU 55 HB3 LEU 55 -11.854 -1.193 -7.857 422 HG LEU 55 HG LEU 55 -10.867 -3.467 -7.299 423 HD11 LEU 55 HD11 LEU 55 -12.366 -3.098 -4.665 424 HD12 LEU 55 HD12 LEU 55 -10.586 -3.141 -4.820 425 HD13 LEU 55 HD13 LEU 55 -11.553 -4.557 -5.210 426 HD21 LEU 55 HD21 LEU 55 -13.052 -3.278 -8.326 427 HD22 LEU 55 HD22 LEU 55 -13.824 -3.005 -6.752 428 HD23 LEU 55 HD23 LEU 55 -13.075 -4.576 -7.118 429 H ASN 56 HN ASN 56 -9.945 -0.043 -8.835 430 HA ASN 56 HA ASN 56 -8.454 -2.328 -9.866 431 HB2 ASN 56 HB2 ASN 56 -9.712 0.059 -11.292 432 HB3 ASN 56 HB3 ASN 56 -9.066 -1.383 -12.068 433 HD21 ASN 56 HD21 ASN 56 -11.990 -0.092 -11.289 434 HD22 ASN 56 HD22 ASN 56 -12.858 -1.477 -10.667 435 H VAL 57 HN VAL 57 -7.101 -0.116 -8.190 436 HA VAL 57 HA VAL 57 -5.400 1.413 -9.973 437 HB VAL 57 HB VAL 57 -6.033 2.207 -7.748 438 HG11 VAL 57 HG11 VAL 57 -5.236 1.262 -5.674 439 HG12 VAL 57 HG12 VAL 57 -6.174 0.035 -6.528 440 HG13 VAL 57 HG13 VAL 57 -4.402 -0.046 -6.545 441 HG21 VAL 57 HG21 VAL 57 -3.872 2.888 -6.876 442 HG22 VAL 57 HG22 VAL 57 -3.047 1.638 -7.812 443 HG23 VAL 57 HG23 VAL 57 -3.880 2.961 -8.657 444 H GLY 58 HN GLY 58 -3.307 1.111 -10.523 445 HA2 GLY 58 HA2 GLY 58 -2.095 -1.505 -9.826 446 HA3 GLY 58 HA1 GLY 58 -1.999 -0.822 -11.457 447 H LEU 59 HN LEU 59 0.382 -0.849 -11.287 448 HA LEU 59 HA LEU 59 1.461 1.479 -9.912 449 HB2 LEU 59 HB2 LEU 59 1.754 -1.083 -8.759 450 HB3 LEU 59 HB3 LEU 59 3.228 -0.893 -9.701 451 HG LEU 59 HG LEU 59 2.485 1.537 -8.194 452 HD11 LEU 59 HD11 LEU 59 3.052 0.874 -6.047 453 HD12 LEU 59 HD12 LEU 59 3.226 -0.844 -6.534 454 HD13 LEU 59 HD13 LEU 59 1.643 -0.019 -6.605 455 HD21 LEU 59 HD21 LEU 59 4.998 -0.164 -8.109 456 HD22 LEU 59 HD22 LEU 59 4.808 1.549 -7.637 457 HD23 LEU 59 HD23 LEU 59 4.711 1.100 -9.317 458 H VAL 60 HN VAL 60 3.458 2.028 -10.575 459 HA VAL 60 HA VAL 60 3.991 1.539 -13.461 460 HB VAL 60 HB VAL 60 4.040 4.160 -13.425 461 HG11 VAL 60 HG11 VAL 60 1.404 2.645 -13.141 462 HG12 VAL 60 HG12 VAL 60 1.591 4.243 -13.893 463 HG13 VAL 60 HG13 VAL 60 2.326 2.819 -14.640 464 HG21 VAL 60 HG21 VAL 60 3.840 4.467 -11.049 465 HG22 VAL 60 HG22 VAL 60 2.448 5.187 -11.865 466 HG23 VAL 60 HG23 VAL 60 2.259 3.646 -11.011 467 H GLY 61 HN GLY 61 5.244 2.826 -10.361 468 HA2 GLY 61 HA2 GLY 61 8.021 2.483 -11.413 469 HA3 GLY 61 HA1 GLY 61 7.498 4.115 -10.982 470 H VAL 62 HN VAL 62 9.546 2.156 -9.848 471 HA VAL 62 HA VAL 62 9.067 2.814 -7.068 472 HB VAL 62 HB VAL 62 9.732 -0.030 -7.722 473 HG11 VAL 62 HG11 VAL 62 10.424 0.638 -5.583 474 HG12 VAL 62 HG12 VAL 62 8.837 1.367 -5.215 475 HG13 VAL 62 HG13 VAL 62 9.022 -0.397 -5.353 476 HG21 VAL 62 HG21 VAL 62 7.480 -0.786 -7.038 477 HG22 VAL 62 HG22 VAL 62 6.959 0.909 -7.023 478 HG23 VAL 62 HG23 VAL 62 7.443 0.136 -8.544 479 H GLU 63 HN GLU 63 10.923 3.897 -6.939 480 HA GLU 63 HA GLU 63 13.507 2.478 -7.245 481 HB2 GLU 63 HB2 GLU 63 12.810 5.295 -8.078 482 HB3 GLU 63 HB3 GLU 63 14.457 4.727 -7.971 483 HG2 GLU 63 HG2 GLU 63 12.436 3.237 -9.714 484 HG3 GLU 63 HG3 GLU 63 13.200 4.668 -10.204 485 HA PRO 64 HA PRO 64 14.311 4.094 -3.124 486 HB2 PRO 64 HB2 PRO 64 17.031 4.466 -3.177 487 HB3 PRO 64 HB3 PRO 64 16.282 2.838 -3.204 488 HG2 PRO 64 HG2 PRO 64 17.158 4.496 -5.594 489 HG3 PRO 64 HG3 PRO 64 17.666 2.833 -5.205 490 HD2 PRO 64 HD2 PRO 64 15.615 3.240 -6.890 491 HD3 PRO 64 HD3 PRO 64 15.406 1.994 -5.606 492 H ALA 65 HN ALA 65 14.549 6.122 -2.065 493 HA ALA 65 HA ALA 65 15.832 8.322 -3.462 494 HB1 ALA 65 HB1 ALA 65 12.912 8.506 -2.596 495 HB2 ALA 65 HB2 ALA 65 13.950 9.900 -2.919 496 HB3 ALA 65 HB3 ALA 65 13.587 8.752 -4.218 497 H GLY 66 HN GLY 66 16.261 10.132 -1.898 498 HA2 GLY 66 HA2 GLY 66 17.226 10.793 0.052 499 HA3 GLY 66 HA1 GLY 66 16.222 9.630 0.935 500 H GLN 67 HN GLN 67 17.296 7.355 -0.648 501 HA GLN 67 HA GLN 67 18.745 5.734 -0.668 502 HB2 GLN 67 HB2 GLN 67 20.471 7.273 1.214 503 HB3 GLN 67 HB3 GLN 67 20.863 5.754 0.360 504 HG2 GLN 67 HG2 GLN 67 20.481 7.199 -1.798 505 HG3 GLN 67 HG3 GLN 67 20.636 8.560 -0.680 506 HE21 GLN 67 HE21 GLN 67 22.564 9.173 0.050 507 HE22 GLN 67 HE22 GLN 67 24.120 8.379 -0.203 508 H TYR 68 HN TYR 68 16.451 6.545 1.090 509 HA TYR 68 HA TYR 68 16.690 4.287 2.936 510 HB2 TYR 68 HB2 TYR 68 15.805 5.866 4.850 511 HB3 TYR 68 HB3 TYR 68 17.493 5.658 4.549 512 HD1 TYR 68 HD1 TYR 68 18.875 7.392 3.465 513 HD2 TYR 68 HD2 TYR 68 14.732 8.063 4.459 514 HE1 TYR 68 HE1 TYR 68 19.212 9.734 3.028 515 HE2 TYR 68 HE2 TYR 68 15.056 10.485 4.152 516 HH TYR 68 HH TYR 68 18.165 11.870 3.060 517 H ALA 69 HN ALA 69 14.793 6.265 0.902 518 HA ALA 69 HA ALA 69 12.311 5.403 2.168 519 HB1 ALA 69 HB1 ALA 69 12.927 7.410 3.315 520 HB2 ALA 69 HB2 ALA 69 13.190 8.268 1.780 521 HB3 ALA 69 HB3 ALA 69 11.542 7.716 2.210 522 H LEU 70 HN LEU 70 11.288 4.564 0.681 523 HA LEU 70 HA LEU 70 12.268 4.535 -2.039 524 HB2 LEU 70 HB2 LEU 70 11.636 2.490 -0.870 525 HB3 LEU 70 HB3 LEU 70 10.010 3.116 -0.589 526 HG LEU 70 HG LEU 70 9.440 2.948 -2.933 527 HD11 LEU 70 HD11 LEU 70 11.696 1.424 -3.967 528 HD12 LEU 70 HD12 LEU 70 12.267 2.969 -3.404 529 HD13 LEU 70 HD13 LEU 70 10.929 2.916 -4.569 530 HD21 LEU 70 HD21 LEU 70 9.546 0.502 -3.195 531 HD22 LEU 70 HD22 LEU 70 9.216 0.911 -1.527 532 HD23 LEU 70 HD23 LEU 70 10.860 0.425 -2.033 533 H LYS 71 HN LYS 71 11.496 5.514 -3.813 534 HA LYS 71 HA LYS 71 9.141 7.257 -3.676 535 HB2 LYS 71 HB2 LYS 71 11.358 7.964 -4.724 536 HB3 LYS 71 HB3 LYS 71 11.107 6.742 -5.956 537 HG2 LYS 71 HG2 LYS 71 8.800 7.877 -6.377 538 HG3 LYS 71 HG3 LYS 71 9.444 9.241 -5.457 539 HD2 LYS 71 HD2 LYS 71 11.265 9.513 -7.094 540 HD3 LYS 71 HD3 LYS 71 10.795 7.996 -7.898 541 HE2 LYS 71 HE2 LYS 71 8.453 9.095 -8.154 542 HE3 LYS 71 HE3 LYS 71 9.258 10.620 -7.793 543 HZ1 LYS 71 HZ1 LYS 71 9.172 10.342 -10.123 544 HZ2 LYS 71 HZ2 LYS 71 9.735 8.813 -10.099 545 HZ3 LYS 71 HZ3 LYS 71 10.744 10.065 -9.747 546 H LEU 72 HN LEU 72 7.445 5.795 -3.557 547 HA LEU 72 HA LEU 72 7.086 3.834 -5.743 548 HB2 LEU 72 HB2 LEU 72 5.545 4.607 -3.262 549 HB3 LEU 72 HB3 LEU 72 4.648 3.870 -4.586 550 HG LEU 72 HG LEU 72 7.283 2.570 -3.912 551 HD11 LEU 72 HD11 LEU 72 4.922 2.283 -2.043 552 HD12 LEU 72 HD12 LEU 72 6.567 2.881 -1.679 553 HD13 LEU 72 HD13 LEU 72 6.338 1.202 -2.108 554 HD21 LEU 72 HD21 LEU 72 5.565 1.923 -5.689 555 HD22 LEU 72 HD22 LEU 72 4.594 1.269 -4.356 556 HD23 LEU 72 HD23 LEU 72 6.231 0.633 -4.696 557 H SER 73 HN SER 73 5.197 4.033 -7.095 558 HA SER 73 HA SER 73 4.023 6.664 -7.566 559 HB2 SER 73 HB2 SER 73 5.602 5.130 -9.685 560 HB3 SER 73 HB3 SER 73 4.641 6.585 -9.975 561 HG SER 73 HG SER 73 6.268 7.085 -7.932 562 H PHE 74 HN PHE 74 1.938 5.969 -7.326 563 HA PHE 74 HA PHE 74 1.165 3.239 -8.234 564 HB2 PHE 74 HB2 PHE 74 -0.531 5.375 -6.859 565 HB3 PHE 74 HB3 PHE 74 -0.953 3.684 -7.078 566 HD1 PHE 74 HD2 PHE 74 0.789 1.955 -5.875 567 HD2 PHE 74 HD1 PHE 74 0.141 6.062 -4.720 568 HE1 PHE 74 HE2 PHE 74 1.802 1.497 -3.698 569 HE2 PHE 74 HE1 PHE 74 1.115 5.576 -2.510 570 HZ PHE 74 HZ PHE 74 1.946 3.296 -1.979 571 H ASP 75 HN ASP 75 -0.333 2.959 -9.830 572 HA ASP 75 HA ASP 75 -0.593 4.954 -11.908 573 HB2 ASP 75 HB2 ASP 75 -0.719 3.074 -13.008 574 HB3 ASP 75 HB3 ASP 75 -1.008 2.115 -11.600 575 H ASP 76 HN ASP 76 -2.025 4.791 -8.988 576 HA ASP 76 HA ASP 76 -4.671 5.834 -9.294 577 HB2 ASP 76 HB2 ASP 76 -3.502 4.999 -7.182 578 HB3 ASP 76 HB3 ASP 76 -2.527 6.455 -7.210 579 H GLY 77 HN GLY 77 -1.418 7.217 -9.549 580 HA2 GLY 77 HA2 GLY 77 -0.928 9.394 -10.518 581 HA3 GLY 77 HA1 GLY 77 -2.483 9.968 -9.907 582 H HIS 78 HN HIS 78 -1.140 11.596 -8.846 583 HA HIS 78 HA HIS 78 -0.022 12.572 -7.119 584 HB2 HIS 78 HB2 HIS 78 -2.287 12.309 -6.328 585 HB3 HIS 78 HB3 HIS 78 -1.931 10.697 -5.704 586 HD1 HIS 78 HD1 HIS 78 -2.610 11.448 -3.203 587 HD2 HIS 78 HD2 HIS 78 0.594 13.553 -4.983 588 HE1 HIS 78 HE1 HIS 78 -1.423 12.673 -1.335 589 H ASP 79 HN ASP 79 2.043 11.598 -7.779 590 HA ASP 79 HA ASP 79 2.977 9.234 -6.389 591 HB2 ASP 79 HB2 ASP 79 4.262 9.006 -8.129 592 HB3 ASP 79 HB3 ASP 79 3.520 10.416 -8.841 593 H SER 80 HN SER 80 5.648 9.735 -5.752 594 HA SER 80 HA SER 80 7.042 10.511 -4.205 595 HB2 SER 80 HB2 SER 80 5.736 13.117 -5.031 596 HB3 SER 80 HB3 SER 80 7.249 12.981 -4.131 597 HG SER 80 HG SER 80 6.695 12.030 -6.752 598 H GLY 81 HN GLY 81 4.530 9.568 -2.916 599 HA2 GLY 81 HA2 GLY 81 3.809 11.313 -0.822 600 HA3 GLY 81 HA1 GLY 81 3.563 9.587 -0.813 601 H LEU 82 HN LEU 82 6.654 9.279 -0.963 602 HA LEU 82 HA LEU 82 8.437 8.960 0.328 603 HB2 LEU 82 HB2 LEU 82 7.760 11.330 1.386 604 HB3 LEU 82 HB3 LEU 82 7.259 10.367 2.741 605 HG LEU 82 HG LEU 82 10.082 10.226 1.618 606 HD11 LEU 82 HD11 LEU 82 8.987 11.865 3.953 607 HD12 LEU 82 HD12 LEU 82 9.537 12.520 2.391 608 HD13 LEU 82 HD13 LEU 82 10.689 11.721 3.468 609 HD21 LEU 82 HD21 LEU 82 9.571 8.282 3.029 610 HD22 LEU 82 HD22 LEU 82 8.834 9.312 4.261 611 HD23 LEU 82 HD23 LEU 82 10.582 9.379 3.949 612 H PHE 83 HN PHE 83 8.679 6.861 0.887 613 HA PHE 83 HA PHE 83 7.145 5.816 3.229 614 HB2 PHE 83 HB2 PHE 83 7.917 4.460 0.609 615 HB3 PHE 83 HB3 PHE 83 7.523 3.600 2.082 616 HD1 PHE 83 HD1 PHE 83 5.245 3.839 3.133 617 HD2 PHE 83 HD2 PHE 83 6.179 5.014 -0.881 618 HE1 PHE 83 HE1 PHE 83 2.842 3.715 2.544 619 HE2 PHE 83 HE2 PHE 83 3.770 4.688 -1.513 620 HZ PHE 83 HZ PHE 83 2.084 4.153 0.280 621 H THR 84 HN THR 84 8.778 5.560 4.925 622 HA THR 84 HA THR 84 11.510 5.116 4.346 623 HB THR 84 HB THR 84 10.171 4.010 6.818 624 HG1 THR 84 HG1 THR 84 9.765 5.952 7.635 625 HG21 THR 84 HG21 THR 84 12.750 5.535 6.242 626 HG22 THR 84 HG22 THR 84 12.584 3.845 6.745 627 HG23 THR 84 HG23 THR 84 12.185 5.138 7.882 628 H TRP 85 HN TRP 85 12.755 3.124 4.346 629 HA TRP 85 HA TRP 85 11.626 0.815 3.270 630 HB2 TRP 85 HB2 TRP 85 14.141 1.080 5.015 631 HB3 TRP 85 HB3 TRP 85 13.657 -0.349 4.142 632 HD1 TRP 85 HD1 TRP 85 16.037 2.209 3.675 633 HE1 TRP 85 HE1 TRP 85 16.771 2.422 1.218 634 HE3 TRP 85 HE3 TRP 85 12.202 -0.340 1.463 635 HZ2 TRP 85 HZ2 TRP 85 15.848 1.505 -1.364 636 HZ3 TRP 85 HZ3 TRP 85 12.214 -0.746 -0.952 637 HH2 TRP 85 HH2 TRP 85 13.959 0.202 -2.402 638 H ASP 86 HN ASP 86 12.383 1.308 6.746 639 HA ASP 86 HA ASP 86 11.313 -1.192 7.656 640 HB2 ASP 86 HB2 ASP 86 11.988 1.463 8.983 641 HB3 ASP 86 HB3 ASP 86 11.273 0.129 9.877 642 H TYR 87 HN TYR 87 9.663 1.786 6.880 643 HA TYR 87 HA TYR 87 7.194 1.000 8.245 644 HB2 TYR 87 HB2 TYR 87 7.641 3.358 7.844 645 HB3 TYR 87 HB3 TYR 87 7.799 3.075 6.116 646 HD1 TYR 87 HD1 TYR 87 5.174 1.879 8.582 647 HD2 TYR 87 HD2 TYR 87 6.073 4.251 5.099 648 HE1 TYR 87 HE1 TYR 87 2.778 2.357 8.293 649 HE2 TYR 87 HE2 TYR 87 3.656 4.652 4.746 650 HH TYR 87 HH TYR 87 1.466 3.898 5.401 651 H LEU 88 HN LEU 88 8.550 0.798 4.905 652 HA LEU 88 HA LEU 88 6.234 -0.445 3.809 653 HB2 LEU 88 HB2 LEU 88 9.136 -0.362 2.985 654 HB3 LEU 88 HB3 LEU 88 7.962 -1.304 2.064 655 HG LEU 88 HG LEU 88 7.353 1.571 2.763 656 HD11 LEU 88 HD11 LEU 88 9.478 1.860 1.782 657 HD12 LEU 88 HD12 LEU 88 8.335 2.094 0.442 658 HD13 LEU 88 HD13 LEU 88 9.215 0.568 0.608 659 HD21 LEU 88 HD21 LEU 88 6.048 1.473 0.671 660 HD22 LEU 88 HD22 LEU 88 5.537 0.228 1.806 661 HD23 LEU 88 HD23 LEU 88 6.565 -0.208 0.420 662 H TYR 89 HN TYR 89 9.214 -1.907 5.144 663 HA TYR 89 HA TYR 89 8.387 -4.646 4.717 664 HB2 TYR 89 HB2 TYR 89 10.543 -3.225 6.172 665 HB3 TYR 89 HB3 TYR 89 10.100 -4.781 6.789 666 HD1 TYR 89 HD1 TYR 89 9.467 -6.494 4.328 667 HD2 TYR 89 HD2 TYR 89 12.512 -3.467 4.997 668 HE1 TYR 89 HE1 TYR 89 10.859 -7.503 2.685 669 HE2 TYR 89 HE2 TYR 89 14.012 -4.704 3.414 670 HH TYR 89 HH TYR 89 13.330 -7.912 2.502 671 H GLU 90 HN GLU 90 7.628 -2.359 7.345 672 HA GLU 90 HA GLU 90 6.657 -4.292 9.172 673 HB2 GLU 90 HB2 GLU 90 7.108 -1.945 9.774 674 HB3 GLU 90 HB3 GLU 90 5.936 -1.387 8.614 675 HG2 GLU 90 HG2 GLU 90 4.447 -1.211 10.198 676 HG3 GLU 90 HG3 GLU 90 4.288 -2.950 10.169 677 H LEU 91 HN LEU 91 4.886 -2.323 6.746 678 HA LEU 91 HA LEU 91 2.351 -3.584 7.010 679 HB2 LEU 91 HB2 LEU 91 3.574 -2.488 4.446 680 HB3 LEU 91 HB3 LEU 91 1.869 -2.573 4.829 681 HG LEU 91 HG LEU 91 3.713 -0.774 6.429 682 HD11 LEU 91 HD11 LEU 91 2.267 -0.115 3.836 683 HD12 LEU 91 HD12 LEU 91 4.028 -0.187 4.064 684 HD13 LEU 91 HD13 LEU 91 3.091 1.054 4.892 685 HD21 LEU 91 HD21 LEU 91 0.749 -0.676 5.830 686 HD22 LEU 91 HD22 LEU 91 1.664 0.544 6.742 687 HD23 LEU 91 HD23 LEU 91 1.521 -1.086 7.394 688 H ALA 92 HN ALA 92 5.198 -4.612 5.140 689 HA ALA 92 HA ALA 92 3.989 -6.576 3.456 690 HB1 ALA 92 HB1 ALA 92 6.393 -5.594 3.434 691 HB2 ALA 92 HB2 ALA 92 6.779 -6.873 4.604 692 HB3 ALA 92 HB3 ALA 92 6.158 -7.281 2.990 693 H THR 93 HN THR 93 5.286 -6.906 6.824 694 HA THR 93 HA THR 93 4.370 -9.713 6.915 695 HB THR 93 HB THR 93 6.602 -9.167 7.699 696 HG1 THR 93 HG1 THR 93 4.746 -10.089 9.578 697 HG21 THR 93 HG21 THR 93 5.236 -7.349 9.662 698 HG22 THR 93 HG22 THR 93 6.489 -6.989 8.449 699 HG23 THR 93 HG23 THR 93 6.878 -7.976 9.866 700 H ARG 94 HN ARG 94 2.621 -7.047 7.037 701 HA ARG 94 HA ARG 94 0.928 -7.801 9.404 702 HB2 ARG 94 HB2 ARG 94 1.910 -5.165 8.275 703 HB3 ARG 94 HB3 ARG 94 0.575 -5.245 9.403 704 HG2 ARG 94 HG2 ARG 94 3.242 -6.488 10.107 705 HG3 ARG 94 HG3 ARG 94 2.942 -4.768 10.323 706 HD2 ARG 94 HD2 ARG 94 1.057 -6.892 11.324 707 HD3 ARG 94 HD3 ARG 94 2.415 -6.346 12.317 708 HE ARG 94 HE ARG 94 -0.092 -5.130 11.990 709 HH11 ARG 94 HH11 ARG 94 3.335 -4.342 12.500 710 HH12 ARG 94 HH12 ARG 94 2.992 -2.883 13.378 711 HH21 ARG 94 HH21 ARG 94 -0.493 -3.077 13.071 712 HH22 ARG 94 HH22 ARG 94 0.833 -1.986 13.334 713 H LYS 95 HN LYS 95 0.909 -7.876 6.123 714 HA LYS 95 HA LYS 95 -1.026 -6.115 5.317 715 HB2 LYS 95 HB2 LYS 95 0.456 -7.276 3.804 716 HB3 LYS 95 HB3 LYS 95 -0.272 -8.841 4.161 717 HG2 LYS 95 HG2 LYS 95 -2.331 -8.269 3.073 718 HG3 LYS 95 HG3 LYS 95 -1.890 -6.585 2.929 719 HD2 LYS 95 HD2 LYS 95 -0.817 -6.912 0.991 720 HD3 LYS 95 HD3 LYS 95 0.151 -8.206 1.695 721 HE2 LYS 95 HE2 LYS 95 -1.088 -8.999 -0.251 722 HE3 LYS 95 HE3 LYS 95 -1.492 -9.876 1.219 723 HZ1 LYS 95 HZ1 LYS 95 -3.591 -9.017 1.233 724 HZ2 LYS 95 HZ2 LYS 95 -3.322 -9.093 -0.354 725 HZ3 LYS 95 HZ3 LYS 95 -3.231 -7.638 0.386 726 H ASP 96 HN ASP 96 -1.507 -9.380 6.508 727 HA ASP 96 HA ASP 96 -4.147 -10.004 6.087 728 HB2 ASP 96 HB2 ASP 96 -3.571 -11.137 8.369 729 HB3 ASP 96 HB3 ASP 96 -2.769 -11.657 6.894 730 H GLN 97 HN GLN 97 -2.843 -8.580 9.175 731 HA GLN 97 HA GLN 97 -5.384 -7.869 10.160 732 HB2 GLN 97 HB2 GLN 97 -3.261 -8.037 11.476 733 HB3 GLN 97 HB3 GLN 97 -2.655 -6.608 10.668 734 HG2 GLN 97 HG2 GLN 97 -3.341 -5.731 12.667 735 HG3 GLN 97 HG3 GLN 97 -4.731 -5.357 11.676 736 HE21 GLN 97 HE21 GLN 97 -6.460 -7.427 11.776 737 HE22 GLN 97 HE22 GLN 97 -6.685 -8.068 13.384 738 H LEU 98 HN LEU 98 -3.005 -5.843 8.457 739 HA LEU 98 HA LEU 98 -4.350 -3.389 8.644 740 HB2 LEU 98 HB2 LEU 98 -2.224 -4.613 6.886 741 HB3 LEU 98 HB3 LEU 98 -2.842 -3.037 6.454 742 HG LEU 98 HG LEU 98 -2.041 -1.990 8.353 743 HD11 LEU 98 HD11 LEU 98 -1.541 -4.666 9.725 744 HD12 LEU 98 HD12 LEU 98 -2.755 -3.460 10.176 745 HD13 LEU 98 HD13 LEU 98 -1.051 -3.070 10.345 746 HD21 LEU 98 HD21 LEU 98 -0.083 -4.163 7.523 747 HD22 LEU 98 HD22 LEU 98 0.375 -2.744 8.470 748 HD23 LEU 98 HD23 LEU 98 -0.275 -2.550 6.821 749 H TRP 99 HN TRP 99 -4.580 -5.872 6.111 750 HA TRP 99 HA TRP 99 -6.094 -4.177 4.344 751 HB2 TRP 99 HB2 TRP 99 -4.802 -6.152 3.565 752 HB3 TRP 99 HB3 TRP 99 -5.940 -7.219 4.407 753 HD1 TRP 99 HD1 TRP 99 -7.646 -8.184 2.710 754 HE1 TRP 99 HE1 TRP 99 -8.744 -7.418 0.525 755 HE3 TRP 99 HE3 TRP 99 -5.605 -3.488 2.403 756 HZ2 TRP 99 HZ2 TRP 99 -8.766 -5.014 -1.101 757 HZ3 TRP 99 HZ3 TRP 99 -6.262 -1.949 0.590 758 HH2 TRP 99 HH2 TRP 99 -7.837 -2.748 -1.184 759 H ALA 100 HN ALA 100 -7.015 -6.675 6.743 760 HA ALA 100 HA ALA 100 -9.827 -6.539 6.323 761 HB1 ALA 100 HB1 ALA 100 -9.849 -7.387 8.712 762 HB2 ALA 100 HB2 ALA 100 -8.790 -8.312 7.625 763 HB3 ALA 100 HB3 ALA 100 -8.089 -7.157 8.747 764 H ASP 101 HN ASP 101 -7.613 -4.693 8.477 765 HA ASP 101 HA ASP 101 -9.511 -2.952 9.652 766 HB2 ASP 101 HB2 ASP 101 -6.563 -2.698 8.999 767 HB3 ASP 101 HB3 ASP 101 -7.458 -1.329 9.644 768 H TYR 102 HN TYR 102 -7.573 -2.469 6.627 769 HA TYR 102 HA TYR 102 -8.845 0.014 6.135 770 HB2 TYR 102 HB2 TYR 102 -6.975 -1.780 4.659 771 HB3 TYR 102 HB3 TYR 102 -7.939 -0.739 3.651 772 HD1 TYR 102 HD2 TYR 102 -8.256 1.802 4.976 773 HD2 TYR 102 HD1 TYR 102 -4.838 -0.858 5.169 774 HE1 TYR 102 HE2 TYR 102 -6.814 3.690 5.557 775 HE2 TYR 102 HE1 TYR 102 -3.434 1.038 5.758 776 HH TYR 102 HH TYR 102 -4.269 3.947 6.806 777 H LEU 103 HN LEU 103 -9.882 -3.217 5.186 778 HA LEU 103 HA LEU 103 -12.026 -2.355 3.462 779 HB2 LEU 103 HB2 LEU 103 -11.586 -4.783 5.250 780 HB3 LEU 103 HB3 LEU 103 -13.056 -4.561 4.310 781 HG LEU 103 HG LEU 103 -10.259 -4.502 3.056 782 HD11 LEU 103 HD11 LEU 103 -12.089 -6.914 3.309 783 HD12 LEU 103 HD12 LEU 103 -10.544 -6.684 4.154 784 HD13 LEU 103 HD13 LEU 103 -10.569 -6.833 2.392 785 HD21 LEU 103 HD21 LEU 103 -12.076 -3.520 1.715 786 HD22 LEU 103 HD22 LEU 103 -13.006 -5.015 1.876 787 HD23 LEU 103 HD23 LEU 103 -11.463 -5.025 1.000 788 H ALA 104 HN ALA 104 -11.741 -2.811 7.017 789 HA ALA 104 HA ALA 104 -14.494 -2.331 7.617 790 HB1 ALA 104 HB1 ALA 104 -12.809 -3.366 9.138 791 HB2 ALA 104 HB2 ALA 104 -12.060 -1.767 9.350 792 HB3 ALA 104 HB3 ALA 104 -13.722 -2.021 9.866 793 H GLU 105 HN GLU 105 -11.648 -0.142 7.560 794 HA GLU 105 HA GLU 105 -12.959 2.230 8.096 795 HB2 GLU 105 HB2 GLU 105 -10.507 1.497 6.503 796 HB3 GLU 105 HB3 GLU 105 -11.028 3.164 6.474 797 HG2 GLU 105 HG2 GLU 105 -10.912 1.921 9.202 798 HG3 GLU 105 HG3 GLU 105 -9.391 2.075 8.356 799 H LEU 106 HN LEU 106 -12.682 0.668 4.871 800 HA LEU 106 HA LEU 106 -13.937 2.882 3.488 801 HB2 LEU 106 HB2 LEU 106 -12.264 1.335 2.547 802 HB3 LEU 106 HB3 LEU 106 -13.280 -0.047 2.840 803 HG LEU 106 HG LEU 106 -13.072 1.010 0.405 804 HD11 LEU 106 HD11 LEU 106 -15.224 0.083 -0.132 805 HD12 LEU 106 HD12 LEU 106 -15.850 0.393 1.500 806 HD13 LEU 106 HD13 LEU 106 -14.609 -0.843 1.238 807 HD21 LEU 106 HD21 LEU 106 -13.490 3.248 1.287 808 HD22 LEU 106 HD22 LEU 106 -15.201 2.822 1.437 809 HD23 LEU 106 HD23 LEU 106 -14.431 2.747 -0.153 810 H ALA 107 HN ALA 107 -15.005 -0.126 4.909 811 HA ALA 107 HA ALA 107 -17.697 -0.026 3.854 812 HB1 ALA 107 HB1 ALA 107 -16.646 -1.440 6.353 813 HB2 ALA 107 HB2 ALA 107 -18.157 -1.789 5.494 814 HB3 ALA 107 HB3 ALA 107 -16.594 -2.106 4.709 815 H SER 108 HN SER 108 -16.208 1.023 6.925 816 HA SER 108 HA SER 108 -18.627 1.987 8.101 817 HB2 SER 108 HB2 SER 108 -16.436 1.072 9.140 818 HB3 SER 108 HB3 SER 108 -15.809 2.718 8.956 819 HG SER 108 HG SER 108 -17.380 3.441 10.351 820 H ALA 109 HN ALA 109 -15.991 3.582 6.212 821 HA ALA 109 HA ALA 109 -16.850 6.260 6.519 822 HB1 ALA 109 HB1 ALA 109 -14.745 5.561 5.479 823 HB2 ALA 109 HB2 ALA 109 -15.627 4.879 4.093 824 HB3 ALA 109 HB3 ALA 109 -15.665 6.630 4.404 825 H GLY 110 HN GLY 110 -18.321 3.601 4.841 826 HA2 GLY 110 HA2 GLY 110 -20.083 3.369 3.419 827 HA3 GLY 110 HA1 GLY 110 -20.655 4.981 3.900 828 H LYS 111 HN LYS 111 -17.590 3.793 2.305 829 HA LYS 111 HA LYS 111 -18.393 5.235 -0.180 830 HB2 LYS 111 HB2 LYS 111 -15.591 5.041 0.853 831 HB3 LYS 111 HB3 LYS 111 -16.106 5.816 -0.613 832 HG2 LYS 111 HG2 LYS 111 -16.989 6.855 2.120 833 HG3 LYS 111 HG3 LYS 111 -15.556 7.407 1.267 834 HD2 LYS 111 HD2 LYS 111 -17.011 7.949 -0.734 835 HD3 LYS 111 HD3 LYS 111 -18.425 7.574 0.269 836 HE2 LYS 111 HE2 LYS 111 -17.835 9.331 1.848 837 HE3 LYS 111 HE3 LYS 111 -16.310 9.637 1.005 838 HZ1 LYS 111 HZ1 LYS 111 -17.565 10.362 -0.921 839 HZ2 LYS 111 HZ2 LYS 111 -18.004 11.229 0.382 840 HZ3 LYS 111 HZ3 LYS 111 -19.000 10.038 -0.175 841 H SER 112 HN SER 112 -16.680 4.204 -1.933 842 HA SER 112 HA SER 112 -16.502 1.288 -1.369 843 HB2 SER 112 HB2 SER 112 -17.483 2.730 -3.826 844 HB3 SER 112 HB3 SER 112 -17.318 0.971 -3.652 845 HG SER 112 HG SER 112 -19.131 2.715 -2.332 846 H ARG 113 HN ARG 113 -15.111 0.055 -2.681 847 HA ARG 113 HA ARG 113 -12.629 1.549 -3.288 848 HB2 ARG 113 HB2 ARG 113 -13.400 -1.380 -3.677 849 HB3 ARG 113 HB3 ARG 113 -11.821 -0.668 -4.054 850 HG2 ARG 113 HG2 ARG 113 -11.985 0.112 -1.491 851 HG3 ARG 113 HG3 ARG 113 -13.031 -1.323 -1.397 852 HD2 ARG 113 HD2 ARG 113 -11.216 -2.633 -2.535 853 HD3 ARG 113 HD3 ARG 113 -10.160 -1.235 -2.471 854 HE ARG 113 HE ARG 113 -10.625 -3.174 -0.520 855 HH11 ARG 113 HH11 ARG 113 -10.030 0.315 -0.662 856 HH12 ARG 113 HH12 ARG 113 -9.757 0.541 1.039 857 HH21 ARG 113 HH21 ARG 113 -9.842 -2.949 1.674 858 HH22 ARG 113 HH22 ARG 113 -9.696 -1.374 2.395 859 H ASP 114 HN ASP 114 -15.355 -0.032 -4.961 860 HA ASP 114 HA ASP 114 -14.137 0.454 -7.633 861 HB2 ASP 114 HB2 ASP 114 -16.270 -1.112 -6.588 862 HB3 ASP 114 HB3 ASP 114 -17.008 0.055 -7.667 863 HA PRO 115 HA PRO 115 -15.194 4.580 -8.043 864 HB2 PRO 115 HB2 PRO 115 -16.071 4.835 -10.690 865 HB3 PRO 115 HB3 PRO 115 -14.369 4.671 -10.177 866 HG2 PRO 115 HG2 PRO 115 -16.227 2.511 -11.174 867 HG3 PRO 115 HG3 PRO 115 -14.499 2.772 -11.586 868 HD2 PRO 115 HD2 PRO 115 -15.403 0.951 -9.817 869 HD3 PRO 115 HD3 PRO 115 -13.823 1.760 -9.585 870 H ASP 116 HN ASP 116 -17.727 2.332 -9.097 871 HA ASP 116 HA ASP 116 -19.727 3.906 -7.644 872 HB2 ASP 116 HB2 ASP 116 -19.789 4.726 -9.980 873 HB3 ASP 116 HB3 ASP 116 -20.118 3.084 -10.545 874 H GLU 117 HN GLU 117 -18.635 1.760 -6.589 875 HA GLU 117 HA GLU 117 -19.729 -0.807 -7.195 876 HB2 GLU 117 HB2 GLU 117 -17.894 0.170 -5.468 877 HB3 GLU 117 HB3 GLU 117 -19.255 0.000 -4.352 878 HG2 GLU 117 HG2 GLU 117 -19.395 -2.372 -4.803 879 HG3 GLU 117 HG3 GLU 117 -18.191 -2.254 -6.081 880 H SER 118 HN SER 118 -21.792 -1.694 -6.629 881 HA SER 118 HA SER 118 -23.669 0.092 -5.168 882 HB2 SER 118 HB2 SER 118 -23.537 0.416 -7.754 883 HB3 SER 118 HB3 SER 118 -24.337 -1.161 -7.834 884 HG SER 118 HG SER 118 -25.751 0.668 -7.855 885 H VAL 119 HN VAL 119 -22.961 -1.835 -3.631 886 HA VAL 119 HA VAL 119 -24.780 -4.108 -4.027 887 HB VAL 119 HB VAL 119 -22.467 -4.452 -4.904 888 HG11 VAL 119 HG11 VAL 119 -21.254 -3.036 -3.269 889 HG12 VAL 119 HG12 VAL 119 -21.560 -4.258 -2.007 890 HG13 VAL 119 HG13 VAL 119 -20.582 -4.656 -3.432 891 HG21 VAL 119 HG21 VAL 119 -23.126 -6.273 -2.577 892 HG22 VAL 119 HG22 VAL 119 -23.850 -6.346 -4.203 893 HG23 VAL 119 HG23 VAL 119 -22.123 -6.634 -3.983 894 H VAL 120 HN VAL 120 -24.876 -5.338 -1.990 895 HA VAL 120 HA VAL 120 -25.609 -3.511 0.224 896 HB VAL 120 HB VAL 120 -27.475 -5.256 0.437 897 HG11 VAL 120 HG11 VAL 120 -27.840 -2.961 -0.380 898 HG12 VAL 120 HG12 VAL 120 -27.430 -3.481 -2.027 899 HG13 VAL 120 HG13 VAL 120 -28.878 -4.120 -1.223 900 HG21 VAL 120 HG21 VAL 120 -26.480 -6.970 -1.160 901 HG22 VAL 120 HG22 VAL 120 -28.154 -6.522 -1.496 902 HG23 VAL 120 HG23 VAL 120 -26.852 -5.858 -2.489 903 H LYS 121 HN LYS 121 -23.538 -3.932 1.156 904 HA LYS 121 HA LYS 121 -21.813 -4.991 2.080 905 HB2 LYS 121 HB2 LYS 121 -23.642 -7.150 3.186 906 HB3 LYS 121 HB3 LYS 121 -22.038 -6.695 3.715 907 HG2 LYS 121 HG2 LYS 121 -23.289 -5.749 5.341 908 HG3 LYS 121 HG3 LYS 121 -23.076 -4.362 4.276 909 HD2 LYS 121 HD2 LYS 121 -25.343 -4.640 3.402 910 HD3 LYS 121 HD3 LYS 121 -25.522 -6.200 4.230 911 HE2 LYS 121 HE2 LYS 121 -25.447 -5.084 6.406 912 HE3 LYS 121 HE3 LYS 121 -25.109 -3.528 5.626 913 HZ1 LYS 121 HZ1 LYS 121 -27.420 -3.629 6.101 914 HZ2 LYS 121 HZ2 LYS 121 -27.582 -5.117 5.365 915 HZ3 LYS 121 HZ3 LYS 121 -27.254 -3.733 4.504 916 H LEU 122 HN LEU 122 -20.714 -7.372 2.206 917 HA LEU 122 HA LEU 122 -21.228 -8.940 -0.210 918 HB2 LEU 122 HB2 LEU 122 -19.726 -6.830 -0.691 919 HB3 LEU 122 HB3 LEU 122 -18.525 -7.622 0.308 920 HG LEU 122 HG LEU 122 -18.015 -7.964 -1.971 921 HD11 LEU 122 HD11 LEU 122 -17.582 -9.881 -0.462 922 HD12 LEU 122 HD12 LEU 122 -17.755 -10.311 -2.163 923 HD13 LEU 122 HD13 LEU 122 -19.092 -10.631 -1.037 924 HD21 LEU 122 HD21 LEU 122 -20.752 -9.240 -2.390 925 HD22 LEU 122 HD22 LEU 122 -19.453 -9.065 -3.601 926 HD23 LEU 122 HD23 LEU 122 -20.248 -7.636 -2.937 927 H MET 123 HN MET 123 -21.082 -10.960 0.623 928 HA MET 123 HA MET 123 -20.502 -12.698 1.836 929 HB2 MET 123 HB2 MET 123 -18.232 -12.003 0.626 930 HB3 MET 123 HB3 MET 123 -17.677 -11.762 2.287 931 HG2 MET 123 HG2 MET 123 -18.424 -14.084 2.809 932 HG3 MET 123 HG3 MET 123 -19.044 -14.245 1.167 933 HE1 MET 123 HE1 MET 123 -17.808 -16.590 1.132 934 HE2 MET 123 HE2 MET 123 -16.078 -16.770 1.509 935 HE3 MET 123 HE3 MET 123 -17.208 -16.214 2.763 936 H LEU 124 HN LEU 124 -18.355 -12.448 4.149 937 HA LEU 124 HA LEU 124 -20.271 -11.549 6.182 938 HB2 LEU 124 HB2 LEU 124 -19.900 -13.668 7.390 939 HB3 LEU 124 HB3 LEU 124 -20.803 -13.881 5.902 940 HG LEU 124 HG LEU 124 -18.313 -14.443 4.944 941 HD11 LEU 124 HD11 LEU 124 -18.137 -15.286 7.862 942 HD12 LEU 124 HD12 LEU 124 -17.102 -14.082 7.063 943 HD13 LEU 124 HD13 LEU 124 -17.032 -15.761 6.548 944 HD21 LEU 124 HD21 LEU 124 -19.987 -16.398 6.541 945 HD22 LEU 124 HD22 LEU 124 -18.841 -16.781 5.236 946 HD23 LEU 124 HD23 LEU 124 -20.315 -15.880 4.868 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 22.294 -2.232 10.982 2 HA2 GLY 1 HA2 GLY 1 21.686 -0.025 10.013 3 HA3 GLY 1 HA1 GLY 1 22.332 -1.175 8.827 4 H MET 2 HN MET 2 19.333 0.262 10.068 5 HA MET 2 HA MET 2 17.290 0.645 9.137 6 HB2 MET 2 HB2 MET 2 19.091 1.552 7.385 7 HB3 MET 2 HB3 MET 2 18.401 0.300 6.384 8 HG2 MET 2 HG2 MET 2 17.047 1.994 5.750 9 HG3 MET 2 HG3 MET 2 16.110 1.507 7.152 10 HE1 MET 2 HE1 MET 2 18.766 5.286 6.754 11 HE2 MET 2 HE2 MET 2 19.450 3.662 6.551 12 HE3 MET 2 HE3 MET 2 18.228 4.258 5.412 13 H ARG 3 HN ARG 3 15.572 -0.229 7.339 14 HA ARG 3 HA ARG 3 15.899 -3.134 6.896 15 HB2 ARG 3 HB2 ARG 3 13.536 -1.319 7.599 16 HB3 ARG 3 HB3 ARG 3 13.278 -2.845 6.779 17 HG2 ARG 3 HG2 ARG 3 14.783 -2.795 9.403 18 HG3 ARG 3 HG3 ARG 3 13.024 -2.758 9.325 19 HD2 ARG 3 HD2 ARG 3 13.575 -4.949 9.573 20 HD3 ARG 3 HD3 ARG 3 13.047 -4.828 7.912 21 HE ARG 3 HE ARG 3 15.219 -5.327 7.166 22 HH11 ARG 3 HH11 ARG 3 15.043 -5.458 10.734 23 HH12 ARG 3 HH12 ARG 3 16.467 -6.422 10.845 24 HH21 ARG 3 HH21 ARG 3 17.163 -6.367 7.376 25 HH22 ARG 3 HH22 ARG 3 17.840 -6.748 8.938 26 H ILE 4 HN ILE 4 16.944 -2.760 4.836 27 HA ILE 4 HA ILE 4 15.244 -1.335 2.821 28 HB ILE 4 HB ILE 4 18.224 -1.895 2.719 29 HG12 ILE 4 HG12 ILE 4 16.623 0.549 3.523 30 HG13 ILE 4 HG13 ILE 4 17.834 -0.324 4.444 31 HG21 ILE 4 HG21 ILE 4 17.198 -1.831 0.490 32 HG22 ILE 4 HG22 ILE 4 16.316 -0.362 0.906 33 HG23 ILE 4 HG23 ILE 4 18.074 -0.330 0.726 34 HD11 ILE 4 HD11 ILE 4 19.579 0.431 2.829 35 HD12 ILE 4 HD12 ILE 4 18.351 1.454 2.055 36 HD13 ILE 4 HD13 ILE 4 18.791 1.744 3.736 37 HA PRO 5 HA PRO 5 14.967 -5.578 1.182 38 HB2 PRO 5 HB2 PRO 5 13.397 -5.003 -1.029 39 HB3 PRO 5 HB3 PRO 5 12.716 -5.338 0.579 40 HG2 PRO 5 HG2 PRO 5 13.388 -2.673 -0.569 41 HG3 PRO 5 HG3 PRO 5 11.795 -3.177 0.140 42 HD2 PRO 5 HD2 PRO 5 13.738 -1.729 1.464 43 HD3 PRO 5 HD3 PRO 5 12.922 -3.073 2.334 44 H SER 6 HN SER 6 16.396 -6.429 -0.069 45 HA SER 6 HA SER 6 17.601 -4.826 -2.279 46 HB2 SER 6 HB2 SER 6 18.475 -7.436 -1.039 47 HB3 SER 6 HB3 SER 6 19.291 -6.530 -2.308 48 HG SER 6 HG SER 6 19.698 -4.871 -0.856 49 H ALA 7 HN ALA 7 15.096 -7.004 -1.745 50 HA ALA 7 HA ALA 7 15.173 -7.726 -4.623 51 HB1 ALA 7 HB1 ALA 7 15.336 -9.748 -3.062 52 HB2 ALA 7 HB2 ALA 7 13.784 -9.233 -2.350 53 HB3 ALA 7 HB3 ALA 7 13.860 -9.726 -4.054 54 H ILE 8 HN ILE 8 14.466 -5.390 -4.561 55 HA ILE 8 HA ILE 8 11.545 -5.160 -4.361 56 HB ILE 8 HB ILE 8 13.654 -3.469 -5.855 57 HG12 ILE 8 HG12 ILE 8 14.075 -3.312 -3.496 58 HG13 ILE 8 HG13 ILE 8 13.431 -1.792 -4.129 59 HG21 ILE 8 HG21 ILE 8 10.677 -3.016 -5.380 60 HG22 ILE 8 HG22 ILE 8 11.797 -1.703 -5.855 61 HG23 ILE 8 HG23 ILE 8 11.515 -3.090 -6.925 62 HD11 ILE 8 HD11 ILE 8 12.076 -3.868 -2.435 63 HD12 ILE 8 HD12 ILE 8 12.240 -2.084 -2.150 64 HD13 ILE 8 HD13 ILE 8 11.100 -2.689 -3.302 65 H GLN 9 HN GLN 9 10.728 -6.762 -5.544 66 HA GLN 9 HA GLN 9 11.312 -6.850 -8.467 67 HB2 GLN 9 HB2 GLN 9 10.331 -8.860 -6.512 68 HB3 GLN 9 HB3 GLN 9 9.451 -8.775 -8.053 69 HG2 GLN 9 HG2 GLN 9 11.327 -9.163 -9.343 70 HG3 GLN 9 HG3 GLN 9 12.450 -8.788 -8.024 71 HE21 GLN 9 HE21 GLN 9 9.627 -11.033 -7.658 72 HE22 GLN 9 HE22 GLN 9 10.635 -12.471 -7.612 73 H LEU 10 HN LEU 10 10.372 -4.988 -9.234 74 HA LEU 10 HA LEU 10 7.581 -4.388 -8.682 75 HB2 LEU 10 HB2 LEU 10 8.934 -2.526 -9.315 76 HB3 LEU 10 HB3 LEU 10 9.743 -3.435 -10.600 77 HG LEU 10 HG LEU 10 7.597 -3.469 -11.912 78 HD11 LEU 10 HD11 LEU 10 5.839 -1.817 -11.312 79 HD12 LEU 10 HD12 LEU 10 6.559 -1.691 -9.685 80 HD13 LEU 10 HD13 LEU 10 5.903 -3.237 -10.252 81 HD21 LEU 10 HD21 LEU 10 9.027 -0.946 -11.164 82 HD22 LEU 10 HD22 LEU 10 7.776 -0.986 -12.426 83 HD23 LEU 10 HD23 LEU 10 9.234 -2.011 -12.532 84 H HIS 11 HN HIS 11 6.566 -6.409 -9.204 85 HA HIS 11 HA HIS 11 7.096 -7.697 -11.795 86 HB2 HIS 11 HB2 HIS 11 5.027 -8.232 -9.636 87 HB3 HIS 11 HB3 HIS 11 5.284 -9.165 -11.091 88 HD1 HIS 11 HD1 HIS 11 7.528 -10.786 -11.236 89 HD2 HIS 11 HD2 HIS 11 6.671 -8.830 -7.596 90 HE1 HIS 11 HE1 HIS 11 8.518 -12.201 -9.426 91 H LYS 12 HN LYS 12 6.524 -6.088 -13.370 92 HA LYS 12 HA LYS 12 4.197 -4.418 -12.986 93 HB2 LYS 12 HB2 LYS 12 5.934 -4.999 -15.398 94 HB3 LYS 12 HB3 LYS 12 4.414 -4.142 -15.576 95 HG2 LYS 12 HG2 LYS 12 5.443 -2.660 -13.572 96 HG3 LYS 12 HG3 LYS 12 6.951 -3.195 -14.304 97 HD2 LYS 12 HD2 LYS 12 6.109 -2.399 -16.527 98 HD3 LYS 12 HD3 LYS 12 4.633 -1.803 -15.742 99 HE2 LYS 12 HE2 LYS 12 5.568 0.092 -15.061 100 HE3 LYS 12 HE3 LYS 12 7.004 -0.725 -14.446 101 HZ1 LYS 12 HZ1 LYS 12 7.513 0.803 -16.209 102 HZ2 LYS 12 HZ2 LYS 12 6.581 -0.017 -17.289 103 HZ3 LYS 12 HZ3 LYS 12 7.944 -0.720 -16.608 104 H ALA 13 HN ALA 13 4.635 -7.533 -14.673 105 HA ALA 13 HA ALA 13 2.463 -7.267 -16.386 106 HB1 ALA 13 HB1 ALA 13 4.515 -8.845 -16.502 107 HB2 ALA 13 HB2 ALA 13 3.524 -9.978 -15.566 108 HB3 ALA 13 HB3 ALA 13 2.981 -9.422 -17.137 109 H SER 14 HN SER 14 2.239 -8.126 -13.013 110 HA SER 14 HA SER 14 -0.675 -8.427 -13.404 111 HB2 SER 14 HB2 SER 14 0.682 -9.984 -11.204 112 HB3 SER 14 HB3 SER 14 -0.893 -10.218 -11.939 113 HG SER 14 HG SER 14 0.536 -11.801 -12.662 114 H LYS 15 HN LYS 15 1.285 -6.237 -12.578 115 HA LYS 15 HA LYS 15 1.928 -4.844 -10.950 116 HB2 LYS 15 HB2 LYS 15 -0.105 -3.581 -10.015 117 HB3 LYS 15 HB3 LYS 15 0.361 -3.527 -11.698 118 HG2 LYS 15 HG2 LYS 15 -1.365 -5.169 -12.272 119 HG3 LYS 15 HG3 LYS 15 -1.838 -5.299 -10.613 120 HD2 LYS 15 HD2 LYS 15 -1.826 -2.589 -11.932 121 HD3 LYS 15 HD3 LYS 15 -2.975 -3.760 -12.543 122 HE2 LYS 15 HE2 LYS 15 -2.836 -3.693 -9.624 123 HE3 LYS 15 HE3 LYS 15 -3.317 -2.143 -10.307 124 HZ1 LYS 15 HZ1 LYS 15 -5.263 -3.361 -9.860 125 HZ2 LYS 15 HZ2 LYS 15 -4.780 -4.654 -10.691 126 HZ3 LYS 15 HZ3 LYS 15 -5.133 -3.214 -11.461 127 H THR 16 HN THR 16 3.020 -6.496 -9.709 128 HA THR 16 HA THR 16 1.935 -6.689 -6.956 129 HB THR 16 HB THR 16 3.628 -8.847 -8.219 130 HG1 THR 16 HG1 THR 16 1.645 -10.015 -8.393 131 HG21 THR 16 HG21 THR 16 1.763 -8.978 -5.828 132 HG22 THR 16 HG22 THR 16 3.536 -8.815 -5.744 133 HG23 THR 16 HG23 THR 16 2.817 -10.268 -6.444 134 H LEU 17 HN LEU 17 3.365 -5.906 -5.426 135 HA LEU 17 HA LEU 17 6.218 -5.333 -6.167 136 HB2 LEU 17 HB2 LEU 17 4.976 -3.507 -4.951 137 HB3 LEU 17 HB3 LEU 17 4.480 -4.684 -3.749 138 HG LEU 17 HG LEU 17 6.884 -4.996 -2.970 139 HD11 LEU 17 HD11 LEU 17 8.601 -3.558 -3.670 140 HD12 LEU 17 HD12 LEU 17 7.497 -2.742 -4.832 141 HD13 LEU 17 HD13 LEU 17 8.012 -4.400 -5.128 142 HD21 LEU 17 HD21 LEU 17 5.431 -3.403 -1.855 143 HD22 LEU 17 HD22 LEU 17 5.855 -2.148 -3.044 144 HD23 LEU 17 HD23 LEU 17 7.096 -2.819 -1.925 145 H THR 18 HN THR 18 7.774 -6.819 -5.459 146 HA THR 18 HA THR 18 7.088 -8.354 -3.033 147 HB THR 18 HB THR 18 8.386 -9.326 -5.626 148 HG1 THR 18 HG1 THR 18 6.452 -10.841 -5.292 149 HG21 THR 18 HG21 THR 18 9.499 -10.472 -3.818 150 HG22 THR 18 HG22 THR 18 8.442 -11.580 -4.674 151 HG23 THR 18 HG23 THR 18 7.953 -10.937 -3.082 152 H LEU 19 HN LEU 19 8.624 -9.027 -1.734 153 HA LEU 19 HA LEU 19 11.263 -7.759 -1.719 154 HB2 LEU 19 HB2 LEU 19 9.379 -7.409 0.657 155 HB3 LEU 19 HB3 LEU 19 11.012 -6.877 0.526 156 HG LEU 19 HG LEU 19 10.299 -5.259 -1.297 157 HD11 LEU 19 HD11 LEU 19 7.847 -6.473 -0.619 158 HD12 LEU 19 HD12 LEU 19 8.598 -5.679 -2.062 159 HD13 LEU 19 HD13 LEU 19 7.912 -4.659 -0.801 160 HD21 LEU 19 HD21 LEU 19 10.639 -4.681 1.275 161 HD22 LEU 19 HD22 LEU 19 8.893 -4.921 1.441 162 HD23 LEU 19 HD23 LEU 19 9.497 -3.627 0.394 163 H ARG 20 HN ARG 20 11.964 -8.237 0.490 164 HA ARG 20 HA ARG 20 11.411 -11.017 1.536 165 HB2 ARG 20 HB2 ARG 20 13.104 -11.328 -0.242 166 HB3 ARG 20 HB3 ARG 20 14.194 -10.235 0.632 167 HG2 ARG 20 HG2 ARG 20 13.812 -12.053 2.624 168 HG3 ARG 20 HG3 ARG 20 13.332 -13.055 1.274 169 HD2 ARG 20 HD2 ARG 20 15.697 -13.403 1.716 170 HD3 ARG 20 HD3 ARG 20 15.592 -12.494 0.191 171 HE ARG 20 HE ARG 20 15.712 -10.704 2.401 172 HH11 ARG 20 HH11 ARG 20 17.962 -13.031 0.919 173 HH12 ARG 20 HH12 ARG 20 19.384 -12.147 1.392 174 HH21 ARG 20 HH21 ARG 20 17.574 -9.597 3.067 175 HH22 ARG 20 HH22 ARG 20 19.154 -10.232 2.769 176 H TYR 21 HN TYR 21 10.681 -10.017 3.562 177 HA TYR 21 HA TYR 21 12.317 -8.217 5.087 178 HB2 TYR 21 HB2 TYR 21 9.811 -8.442 5.274 179 HB3 TYR 21 HB3 TYR 21 10.113 -9.864 6.253 180 HD1 TYR 21 HD2 TYR 21 12.290 -9.205 8.167 181 HD2 TYR 21 HD1 TYR 21 9.214 -6.650 6.572 182 HE1 TYR 21 HE2 TYR 21 12.446 -7.827 10.138 183 HE2 TYR 21 HE1 TYR 21 9.300 -5.287 8.650 184 HH TYR 21 HH TYR 21 10.252 -5.032 10.728 185 H GLY 22 HN GLY 22 14.382 -9.327 5.231 186 HA2 GLY 22 HA2 GLY 22 15.877 -10.415 6.691 187 HA3 GLY 22 HA1 GLY 22 14.522 -11.124 7.574 188 H GLU 23 HN GLU 23 13.637 -13.028 6.819 189 HA GLU 23 HA GLU 23 14.886 -14.329 4.445 190 HB2 GLU 23 HB2 GLU 23 15.705 -15.985 5.565 191 HB3 GLU 23 HB3 GLU 23 15.690 -14.828 6.866 192 HG2 GLU 23 HG2 GLU 23 14.231 -15.970 8.129 193 HG3 GLU 23 HG3 GLU 23 13.225 -16.335 6.714 194 H ASP 24 HN ASP 24 12.136 -13.132 5.574 195 HA ASP 24 HA ASP 24 10.351 -15.227 4.359 196 HB2 ASP 24 HB2 ASP 24 9.805 -12.894 6.201 197 HB3 ASP 24 HB3 ASP 24 8.528 -13.709 5.319 198 H SER 25 HN SER 25 9.419 -14.821 2.388 199 HA SER 25 HA SER 25 9.819 -12.248 1.122 200 HB2 SER 25 HB2 SER 25 8.299 -14.345 -0.313 201 HB3 SER 25 HB3 SER 25 9.624 -13.312 -0.772 202 HG SER 25 HG SER 25 10.344 -15.425 -0.765 203 H TYR 26 HN TYR 26 8.078 -10.999 0.288 204 HA TYR 26 HA TYR 26 5.330 -11.775 0.938 205 HB2 TYR 26 HB2 TYR 26 6.585 -9.086 1.652 206 HB3 TYR 26 HB3 TYR 26 4.867 -9.430 1.721 207 HD1 TYR 26 HD2 TYR 26 4.065 -11.369 3.277 208 HD2 TYR 26 HD1 TYR 26 8.029 -9.714 3.430 209 HE1 TYR 26 HE2 TYR 26 4.357 -12.392 5.484 210 HE2 TYR 26 HE1 TYR 26 8.295 -10.709 5.774 211 HH TYR 26 HH TYR 26 6.333 -13.181 6.916 212 H ASP 27 HN ASP 27 4.032 -11.273 -0.744 213 HA ASP 27 HA ASP 27 5.114 -9.773 -3.064 214 HB2 ASP 27 HB2 ASP 27 3.587 -12.409 -2.881 215 HB3 ASP 27 HB3 ASP 27 3.751 -11.493 -4.367 216 H LEU 28 HN LEU 28 4.073 -7.955 -2.130 217 HA LEU 28 HA LEU 28 1.271 -7.881 -1.477 218 HB2 LEU 28 HB2 LEU 28 3.307 -5.666 -2.029 219 HB3 LEU 28 HB3 LEU 28 1.743 -5.437 -1.274 220 HG LEU 28 HG LEU 28 2.846 -7.439 0.314 221 HD11 LEU 28 HD11 LEU 28 5.110 -6.804 0.910 222 HD12 LEU 28 HD12 LEU 28 5.147 -5.563 -0.358 223 HD13 LEU 28 HD13 LEU 28 5.048 -7.285 -0.780 224 HD21 LEU 28 HD21 LEU 28 3.061 -5.791 2.034 225 HD22 LEU 28 HD22 LEU 28 1.717 -5.284 1.025 226 HD23 LEU 28 HD23 LEU 28 3.294 -4.479 0.870 227 HA PRO 29 HA PRO 29 -0.170 -6.906 -5.710 228 HB2 PRO 29 HB2 PRO 29 -2.436 -5.379 -4.654 229 HB3 PRO 29 HB3 PRO 29 -2.423 -6.964 -5.471 230 HG2 PRO 29 HG2 PRO 29 -2.824 -6.363 -2.681 231 HG3 PRO 29 HG3 PRO 29 -2.782 -7.964 -3.464 232 HD2 PRO 29 HD2 PRO 29 -0.783 -6.747 -1.762 233 HD3 PRO 29 HD3 PRO 29 -0.772 -8.364 -2.509 234 H ALA 30 HN ALA 30 -1.252 -4.604 -6.691 235 HA ALA 30 HA ALA 30 0.391 -2.303 -5.712 236 HB1 ALA 30 HB1 ALA 30 0.334 -2.445 -8.012 237 HB2 ALA 30 HB2 ALA 30 -1.468 -2.506 -8.051 238 HB3 ALA 30 HB3 ALA 30 -0.604 -1.041 -7.506 239 H GLU 31 HN GLU 31 -3.232 -3.147 -5.969 240 HA GLU 31 HA GLU 31 -4.231 -0.861 -4.835 241 HB2 GLU 31 HB2 GLU 31 -5.821 -2.357 -5.629 242 HB3 GLU 31 HB3 GLU 31 -5.163 -3.699 -4.706 243 HG2 GLU 31 HG2 GLU 31 -7.309 -3.159 -3.839 244 HG3 GLU 31 HG3 GLU 31 -6.104 -2.856 -2.619 245 H PHE 32 HN PHE 32 -3.000 -3.618 -2.697 246 HA PHE 32 HA PHE 32 -4.008 -2.281 -0.373 247 HB2 PHE 32 HB2 PHE 32 -3.767 -4.463 0.049 248 HB3 PHE 32 HB3 PHE 32 -2.318 -4.698 -0.835 249 HD1 PHE 32 HD2 PHE 32 -0.055 -3.671 0.213 250 HD2 PHE 32 HD1 PHE 32 -3.740 -4.159 2.382 251 HE1 PHE 32 HE2 PHE 32 1.142 -3.379 2.369 252 HE2 PHE 32 HE1 PHE 32 -2.630 -3.730 4.429 253 HZ PHE 32 HZ PHE 32 -0.106 -3.402 4.481 254 H LEU 33 HN LEU 33 -1.069 -1.833 -2.257 255 HA LEU 33 HA LEU 33 0.304 -0.341 -0.202 256 HB2 LEU 33 HB2 LEU 33 0.795 -0.288 -3.189 257 HB3 LEU 33 HB3 LEU 33 1.868 0.383 -2.005 258 HG LEU 33 HG LEU 33 1.152 -2.559 -2.243 259 HD11 LEU 33 HD11 LEU 33 2.339 -1.915 -4.237 260 HD12 LEU 33 HD12 LEU 33 3.322 -2.922 -3.196 261 HD13 LEU 33 HD13 LEU 33 3.629 -1.166 -3.250 262 HD21 LEU 33 HD21 LEU 33 3.120 -3.007 -0.866 263 HD22 LEU 33 HD22 LEU 33 1.915 -2.063 0.007 264 HD23 LEU 33 HD23 LEU 33 3.368 -1.272 -0.669 265 H ARG 34 HN ARG 34 -2.011 0.481 -2.702 266 HA ARG 34 HA ARG 34 -1.729 3.359 -2.740 267 HB2 ARG 34 HB2 ARG 34 -3.042 2.163 -4.421 268 HB3 ARG 34 HB3 ARG 34 -4.108 1.512 -3.190 269 HG2 ARG 34 HG2 ARG 34 -5.308 3.177 -4.260 270 HG3 ARG 34 HG3 ARG 34 -4.969 3.762 -2.649 271 HD2 ARG 34 HD2 ARG 34 -3.106 4.449 -4.941 272 HD3 ARG 34 HD3 ARG 34 -4.663 5.253 -4.824 273 HE ARG 34 HE ARG 34 -2.327 5.893 -3.422 274 HH11 ARG 34 HH11 ARG 34 -5.834 5.598 -2.531 275 HH12 ARG 34 HH12 ARG 34 -5.805 7.129 -1.728 276 HH21 ARG 34 HH21 ARG 34 -2.461 7.934 -2.429 277 HH22 ARG 34 HH22 ARG 34 -3.901 8.410 -1.613 278 H VAL 35 HN VAL 35 -3.871 1.209 -0.791 279 HA VAL 35 HA VAL 35 -4.987 3.500 0.495 280 HB VAL 35 HB VAL 35 -6.250 1.928 1.843 281 HG11 VAL 35 HG11 VAL 35 -6.924 2.475 -0.466 282 HG12 VAL 35 HG12 VAL 35 -6.011 1.084 -1.095 283 HG13 VAL 35 HG13 VAL 35 -7.393 0.835 -0.048 284 HG21 VAL 35 HG21 VAL 35 -6.028 -0.461 1.703 285 HG22 VAL 35 HG22 VAL 35 -4.714 -0.337 0.510 286 HG23 VAL 35 HG23 VAL 35 -4.454 0.182 2.191 287 H HIS 36 HN HIS 36 -2.053 1.899 1.172 288 HA HIS 36 HA HIS 36 -1.911 3.200 3.831 289 HB2 HIS 36 HB2 HIS 36 -0.476 1.590 4.574 290 HB3 HIS 36 HB3 HIS 36 -1.684 0.699 3.658 291 HD1 HIS 36 HD1 HIS 36 0.821 1.977 1.265 292 HD2 HIS 36 HD2 HIS 36 0.441 -1.102 4.093 293 HE1 HIS 36 HE1 HIS 36 2.680 0.350 0.752 294 H SER 37 HN SER 37 -1.707 4.643 1.280 295 HA SER 37 HA SER 37 1.147 5.313 1.089 296 HB2 SER 37 HB2 SER 37 -0.082 4.539 -0.863 297 HB3 SER 37 HB3 SER 37 -1.123 5.984 -0.781 298 HG SER 37 HG SER 37 0.496 6.267 -2.254 299 HA PRO 38 HA PRO 38 -0.243 9.120 3.275 300 HB2 PRO 38 HB2 PRO 38 1.768 9.383 5.045 301 HB3 PRO 38 HB3 PRO 38 0.563 8.083 5.308 302 HG2 PRO 38 HG2 PRO 38 3.246 7.808 4.013 303 HG3 PRO 38 HG3 PRO 38 2.549 6.841 5.345 304 HD2 PRO 38 HD2 PRO 38 2.359 6.057 2.697 305 HD3 PRO 38 HD3 PRO 38 1.107 5.700 3.921 306 H SER 39 HN SER 39 1.372 11.183 3.475 307 HA SER 39 HA SER 39 2.894 11.331 0.945 308 HB2 SER 39 HB2 SER 39 1.136 13.256 2.509 309 HB3 SER 39 HB3 SER 39 2.022 13.653 1.036 310 HG SER 39 HG SER 39 0.898 11.940 -0.042 311 H ALA 40 HN ALA 40 4.426 13.263 0.982 312 HA ALA 40 HA ALA 40 6.292 12.690 3.150 313 HB1 ALA 40 HB1 ALA 40 6.852 12.638 0.698 314 HB2 ALA 40 HB2 ALA 40 6.646 14.406 0.661 315 HB3 ALA 40 HB3 ALA 40 7.917 13.668 1.667 316 H GLU 41 HN GLU 41 4.149 15.307 2.450 317 HA GLU 41 HA GLU 41 5.758 17.235 3.920 318 HB2 GLU 41 HB2 GLU 41 3.287 17.456 2.181 319 HB3 GLU 41 HB3 GLU 41 3.989 18.855 2.997 320 HG2 GLU 41 HG2 GLU 41 6.025 18.732 1.783 321 HG3 GLU 41 HG3 GLU 41 5.676 17.121 1.157 322 H VAL 42 HN VAL 42 4.144 15.136 5.199 323 HA VAL 42 HA VAL 42 2.035 16.536 6.697 324 HB VAL 42 HB VAL 42 2.984 13.722 7.008 325 HG11 VAL 42 HG11 VAL 42 1.004 15.019 8.515 326 HG12 VAL 42 HG12 VAL 42 0.043 14.271 7.251 327 HG13 VAL 42 HG13 VAL 42 1.109 13.280 8.273 328 HG21 VAL 42 HG21 VAL 42 1.162 13.026 5.426 329 HG22 VAL 42 HG22 VAL 42 0.904 14.745 5.030 330 HG23 VAL 42 HG23 VAL 42 2.441 13.949 4.646 331 H GLN 43 HN GLN 43 5.248 16.477 7.098 332 HA GLN 43 HA GLN 43 6.668 17.155 8.780 333 HB2 GLN 43 HB2 GLN 43 5.822 18.888 10.312 334 HB3 GLN 43 HB3 GLN 43 5.317 19.149 8.645 335 HG2 GLN 43 HG2 GLN 43 3.096 18.377 9.087 336 HG3 GLN 43 HG3 GLN 43 3.542 17.788 10.705 337 HE21 GLN 43 HE21 GLN 43 1.326 19.217 10.178 338 HE22 GLN 43 HE22 GLN 43 1.397 20.724 11.015 339 H GLY 44 HN GLY 44 5.310 14.544 9.210 340 HA2 GLY 44 HA2 GLY 44 6.309 13.129 10.991 341 HA3 GLY 44 HA1 GLY 44 5.599 14.228 12.183 342 H HIS 45 HN HIS 45 3.011 14.620 11.508 343 HA HIS 45 HA HIS 45 1.741 12.143 10.666 344 HB2 HIS 45 HB2 HIS 45 0.546 11.831 12.846 345 HB3 HIS 45 HB3 HIS 45 2.246 11.440 12.863 346 HD1 HIS 45 HD1 HIS 45 2.553 11.777 15.433 347 HD2 HIS 45 HD2 HIS 45 0.987 15.092 13.361 348 HE1 HIS 45 HE1 HIS 45 2.451 13.660 17.116 349 H GLY 46 HN GLY 46 -0.786 12.381 11.186 350 HA2 GLY 46 HA2 GLY 46 -1.691 15.135 10.700 351 HA3 GLY 46 HA1 GLY 46 -1.756 14.017 9.319 352 H ASN 47 HN ASN 47 -3.975 13.842 9.180 353 HA ASN 47 HA ASN 47 -5.471 13.023 11.619 354 HB2 ASN 47 HB2 ASN 47 -6.851 14.055 9.163 355 HB3 ASN 47 HB3 ASN 47 -7.334 14.172 10.844 356 HD21 ASN 47 HD21 ASN 47 -5.352 15.584 8.286 357 HD22 ASN 47 HD22 ASN 47 -4.885 17.052 9.093 358 HA PRO 48 HA PRO 48 -6.215 9.190 9.381 359 HB2 PRO 48 HB2 PRO 48 -8.684 8.426 10.360 360 HB3 PRO 48 HB3 PRO 48 -7.156 8.259 11.270 361 HG2 PRO 48 HG2 PRO 48 -9.224 10.464 11.460 362 HG3 PRO 48 HG3 PRO 48 -8.407 9.597 12.795 363 HD2 PRO 48 HD2 PRO 48 -7.582 12.045 11.936 364 HD3 PRO 48 HD3 PRO 48 -6.398 10.807 12.462 365 H VAL 49 HN VAL 49 -6.770 9.074 7.316 366 HA VAL 49 HA VAL 49 -9.378 10.075 6.415 367 HB VAL 49 HB VAL 49 -6.790 10.548 4.976 368 HG11 VAL 49 HG11 VAL 49 -9.605 11.139 4.099 369 HG12 VAL 49 HG12 VAL 49 -8.151 11.806 3.312 370 HG13 VAL 49 HG13 VAL 49 -8.420 10.059 3.336 371 HG21 VAL 49 HG21 VAL 49 -7.071 12.249 6.765 372 HG22 VAL 49 HG22 VAL 49 -7.229 12.989 5.170 373 HG23 VAL 49 HG23 VAL 49 -8.680 12.641 6.144 374 H LEU 50 HN LEU 50 -10.232 8.478 5.541 375 HA LEU 50 HA LEU 50 -8.784 5.957 5.008 376 HB2 LEU 50 HB2 LEU 50 -10.909 5.810 6.225 377 HB3 LEU 50 HB3 LEU 50 -11.744 6.711 4.951 378 HG LEU 50 HG LEU 50 -11.376 4.860 3.349 379 HD11 LEU 50 HD11 LEU 50 -9.885 3.588 5.670 380 HD12 LEU 50 HD12 LEU 50 -9.356 3.773 3.998 381 HD13 LEU 50 HD13 LEU 50 -10.621 2.607 4.380 382 HD21 LEU 50 HD21 LEU 50 -12.625 4.140 6.016 383 HD22 LEU 50 HD22 LEU 50 -12.937 3.318 4.469 384 HD23 LEU 50 HD23 LEU 50 -13.367 5.028 4.670 385 H GLN 51 HN GLN 51 -8.080 5.382 3.172 386 HA GLN 51 HA GLN 51 -8.755 6.838 0.710 387 HB2 GLN 51 HB2 GLN 51 -6.659 4.733 1.410 388 HB3 GLN 51 HB3 GLN 51 -6.735 5.621 -0.099 389 HG2 GLN 51 HG2 GLN 51 -6.359 6.970 2.628 390 HG3 GLN 51 HG3 GLN 51 -5.048 6.432 1.641 391 HE21 GLN 51 HE21 GLN 51 -5.535 9.177 2.463 392 HE22 GLN 51 HE22 GLN 51 -5.752 10.099 0.986 393 H TYR 52 HN TYR 52 -10.514 6.105 -0.258 394 HA TYR 52 HA TYR 52 -10.869 3.196 -0.663 395 HB2 TYR 52 HB2 TYR 52 -13.255 3.489 -0.702 396 HB3 TYR 52 HB3 TYR 52 -12.670 3.969 0.837 397 HD1 TYR 52 HD2 TYR 52 -12.533 6.454 1.449 398 HD2 TYR 52 HD1 TYR 52 -14.547 5.001 -2.100 399 HE1 TYR 52 HE2 TYR 52 -13.908 8.505 1.365 400 HE2 TYR 52 HE1 TYR 52 -15.815 7.072 -2.244 401 HH TYR 52 HH TYR 52 -16.425 9.008 -1.135 402 H GLY 53 HN GLY 53 -12.750 3.333 -2.647 403 HA2 GLY 53 HA2 GLY 53 -13.255 3.899 -4.798 404 HA3 GLY 53 HA1 GLY 53 -12.819 5.511 -4.267 405 H LYS 54 HN LYS 54 -10.204 3.182 -4.385 406 HA LYS 54 HA LYS 54 -9.330 4.026 -7.094 407 HB2 LYS 54 HB2 LYS 54 -7.677 4.210 -4.609 408 HB3 LYS 54 HB3 LYS 54 -6.977 4.024 -6.190 409 HG2 LYS 54 HG2 LYS 54 -6.808 6.234 -6.018 410 HG3 LYS 54 HG3 LYS 54 -8.318 6.096 -6.913 411 HD2 LYS 54 HD2 LYS 54 -9.583 6.538 -4.817 412 HD3 LYS 54 HD3 LYS 54 -8.083 6.440 -3.906 413 HE2 LYS 54 HE2 LYS 54 -8.357 8.725 -4.061 414 HE3 LYS 54 HE3 LYS 54 -7.267 8.420 -5.414 415 HZ1 LYS 54 HZ1 LYS 54 -10.204 8.759 -5.536 416 HZ2 LYS 54 HZ2 LYS 54 -9.288 8.437 -6.848 417 HZ3 LYS 54 HZ3 LYS 54 -9.073 9.862 -6.024 418 H LEU 55 HN LEU 55 -10.689 1.506 -5.909 419 HA LEU 55 HA LEU 55 -8.826 -0.575 -5.762 420 HB2 LEU 55 HB2 LEU 55 -11.325 -0.436 -5.440 421 HB3 LEU 55 HB3 LEU 55 -11.549 -0.684 -7.137 422 HG LEU 55 HG LEU 55 -11.885 -2.577 -5.431 423 HD11 LEU 55 HD11 LEU 55 -11.350 -4.269 -6.941 424 HD12 LEU 55 HD12 LEU 55 -10.149 -3.266 -7.786 425 HD13 LEU 55 HD13 LEU 55 -11.891 -2.860 -7.831 426 HD21 LEU 55 HD21 LEU 55 -8.901 -3.038 -5.638 427 HD22 LEU 55 HD22 LEU 55 -10.101 -3.914 -4.646 428 HD23 LEU 55 HD23 LEU 55 -9.661 -2.252 -4.245 429 H ASN 56 HN ASN 56 -9.827 1.224 -8.600 430 HA ASN 56 HA ASN 56 -8.884 -0.763 -10.538 431 HB2 ASN 56 HB2 ASN 56 -9.223 2.156 -11.191 432 HB3 ASN 56 HB3 ASN 56 -9.419 0.770 -12.238 433 HD21 ASN 56 HD21 ASN 56 -11.389 -0.795 -10.742 434 HD22 ASN 56 HD22 ASN 56 -12.818 0.178 -10.720 435 H VAL 57 HN VAL 57 -7.122 1.237 -8.414 436 HA VAL 57 HA VAL 57 -5.176 2.400 -10.083 437 HB VAL 57 HB VAL 57 -5.629 2.897 -7.676 438 HG11 VAL 57 HG11 VAL 57 -5.664 0.445 -6.939 439 HG12 VAL 57 HG12 VAL 57 -3.896 0.541 -6.901 440 HG13 VAL 57 HG13 VAL 57 -4.911 1.602 -5.889 441 HG21 VAL 57 HG21 VAL 57 -3.412 3.495 -7.051 442 HG22 VAL 57 HG22 VAL 57 -2.701 2.307 -8.179 443 HG23 VAL 57 HG23 VAL 57 -3.604 3.712 -8.793 444 H GLY 58 HN GLY 58 -3.012 1.819 -10.474 445 HA2 GLY 58 HA2 GLY 58 -2.156 -0.815 -9.916 446 HA3 GLY 58 HA1 GLY 58 -2.230 -0.448 -11.665 447 H LEU 59 HN LEU 59 0.165 -0.950 -11.054 448 HA LEU 59 HA LEU 59 1.611 1.296 -9.835 449 HB2 LEU 59 HB2 LEU 59 1.925 -1.536 -9.930 450 HB3 LEU 59 HB3 LEU 59 3.084 -0.919 -11.077 451 HG LEU 59 HG LEU 59 4.033 -1.342 -8.915 452 HD11 LEU 59 HD11 LEU 59 3.990 1.619 -9.608 453 HD12 LEU 59 HD12 LEU 59 5.031 0.407 -10.396 454 HD13 LEU 59 HD13 LEU 59 5.251 0.804 -8.684 455 HD21 LEU 59 HD21 LEU 59 3.580 0.003 -6.992 456 HD22 LEU 59 HD22 LEU 59 2.114 -0.838 -7.512 457 HD23 LEU 59 HD23 LEU 59 2.306 0.899 -7.861 458 H VAL 60 HN VAL 60 3.103 2.480 -11.055 459 HA VAL 60 HA VAL 60 2.985 2.217 -14.014 460 HB VAL 60 HB VAL 60 3.336 4.814 -13.811 461 HG11 VAL 60 HG11 VAL 60 1.496 3.629 -15.009 462 HG12 VAL 60 HG12 VAL 60 0.623 3.434 -13.480 463 HG13 VAL 60 HG13 VAL 60 0.872 5.056 -14.163 464 HG21 VAL 60 HG21 VAL 60 1.635 4.299 -11.366 465 HG22 VAL 60 HG22 VAL 60 3.300 4.947 -11.372 466 HG23 VAL 60 HG23 VAL 60 1.973 5.873 -12.101 467 H GLY 61 HN GLY 61 4.909 2.970 -11.204 468 HA2 GLY 61 HA2 GLY 61 7.297 1.988 -12.322 469 HA3 GLY 61 HA1 GLY 61 7.312 3.761 -12.514 470 H VAL 62 HN VAL 62 9.216 2.589 -10.893 471 HA VAL 62 HA VAL 62 8.852 3.703 -8.329 472 HB VAL 62 HB VAL 62 7.340 1.903 -7.993 473 HG11 VAL 62 HG11 VAL 62 9.393 -0.087 -8.972 474 HG12 VAL 62 HG12 VAL 62 7.762 -0.412 -8.331 475 HG13 VAL 62 HG13 VAL 62 7.915 0.419 -9.844 476 HG21 VAL 62 HG21 VAL 62 8.263 0.750 -6.161 477 HG22 VAL 62 HG22 VAL 62 9.923 1.064 -6.719 478 HG23 VAL 62 HG23 VAL 62 8.851 2.407 -6.192 479 H GLU 63 HN GLU 63 10.940 3.819 -7.348 480 HA GLU 63 HA GLU 63 13.183 2.264 -8.309 481 HB2 GLU 63 HB2 GLU 63 12.810 5.222 -9.030 482 HB3 GLU 63 HB3 GLU 63 14.414 4.538 -8.863 483 HG2 GLU 63 HG2 GLU 63 13.405 2.625 -10.442 484 HG3 GLU 63 HG3 GLU 63 12.324 3.942 -10.910 485 HA PRO 64 HA PRO 64 14.643 3.376 -4.258 486 HB2 PRO 64 HB2 PRO 64 17.362 3.550 -4.532 487 HB3 PRO 64 HB3 PRO 64 16.480 1.995 -4.629 488 HG2 PRO 64 HG2 PRO 64 17.391 3.764 -6.915 489 HG3 PRO 64 HG3 PRO 64 17.629 2.003 -6.721 490 HD2 PRO 64 HD2 PRO 64 15.606 3.002 -8.210 491 HD3 PRO 64 HD3 PRO 64 15.382 1.549 -7.227 492 H ALA 65 HN ALA 65 14.375 5.336 -3.335 493 HA ALA 65 HA ALA 65 15.352 7.775 -4.656 494 HB1 ALA 65 HB1 ALA 65 14.238 7.592 -1.857 495 HB2 ALA 65 HB2 ALA 65 14.487 9.030 -2.862 496 HB3 ALA 65 HB3 ALA 65 13.251 7.849 -3.322 497 H GLY 66 HN GLY 66 16.539 9.082 -2.482 498 HA2 GLY 66 HA2 GLY 66 19.169 8.713 -2.922 499 HA3 GLY 66 HA1 GLY 66 18.555 9.402 -1.443 500 H GLN 67 HN GLN 67 18.405 8.056 0.437 501 HA GLN 67 HA GLN 67 19.859 5.483 0.334 502 HB2 GLN 67 HB2 GLN 67 20.843 7.800 2.054 503 HB3 GLN 67 HB3 GLN 67 21.519 6.170 1.979 504 HG2 GLN 67 HG2 GLN 67 21.998 6.573 -0.488 505 HG3 GLN 67 HG3 GLN 67 21.477 8.252 -0.246 506 HE21 GLN 67 HE21 GLN 67 22.716 9.585 1.276 507 HE22 GLN 67 HE22 GLN 67 24.404 9.216 1.545 508 H TYR 68 HN TYR 68 17.252 7.196 1.410 509 HA TYR 68 HA TYR 68 16.849 5.558 3.840 510 HB2 TYR 68 HB2 TYR 68 15.949 7.637 4.970 511 HB3 TYR 68 HB3 TYR 68 17.657 7.351 4.869 512 HD1 TYR 68 HD2 TYR 68 19.073 8.576 3.226 513 HD2 TYR 68 HD1 TYR 68 14.960 9.642 3.905 514 HE1 TYR 68 HE2 TYR 68 19.526 10.789 2.284 515 HE2 TYR 68 HE1 TYR 68 15.376 11.886 2.951 516 HH TYR 68 HH TYR 68 17.044 13.319 1.888 517 H ALA 69 HN ALA 69 15.600 6.127 0.864 518 HA ALA 69 HA ALA 69 12.884 5.591 1.719 519 HB1 ALA 69 HB1 ALA 69 13.502 8.206 0.265 520 HB2 ALA 69 HB2 ALA 69 11.877 7.596 0.642 521 HB3 ALA 69 HB3 ALA 69 12.978 8.073 1.947 522 H LEU 70 HN LEU 70 11.354 5.562 -0.207 523 HA LEU 70 HA LEU 70 12.683 4.597 -2.683 524 HB2 LEU 70 HB2 LEU 70 11.533 2.952 -0.933 525 HB3 LEU 70 HB3 LEU 70 10.040 3.478 -1.729 526 HG LEU 70 HG LEU 70 12.480 2.413 -3.238 527 HD11 LEU 70 HD11 LEU 70 11.340 0.240 -3.360 528 HD12 LEU 70 HD12 LEU 70 10.068 0.844 -2.230 529 HD13 LEU 70 HD13 LEU 70 11.738 0.661 -1.697 530 HD21 LEU 70 HD21 LEU 70 9.527 2.417 -3.990 531 HD22 LEU 70 HD22 LEU 70 10.940 1.951 -4.990 532 HD23 LEU 70 HD23 LEU 70 10.693 3.619 -4.548 533 H LYS 71 HN LYS 71 11.863 5.429 -4.566 534 HA LYS 71 HA LYS 71 9.969 7.697 -4.488 535 HB2 LYS 71 HB2 LYS 71 12.249 7.843 -5.585 536 HB3 LYS 71 HB3 LYS 71 11.790 6.531 -6.656 537 HG2 LYS 71 HG2 LYS 71 9.784 8.156 -7.316 538 HG3 LYS 71 HG3 LYS 71 10.836 9.393 -6.615 539 HD2 LYS 71 HD2 LYS 71 12.697 8.421 -8.157 540 HD3 LYS 71 HD3 LYS 71 11.400 7.505 -8.945 541 HE2 LYS 71 HE2 LYS 71 10.225 9.855 -9.150 542 HE3 LYS 71 HE3 LYS 71 11.833 10.491 -8.777 543 HZ1 LYS 71 HZ1 LYS 71 11.827 10.443 -11.035 544 HZ2 LYS 71 HZ2 LYS 71 10.918 9.091 -11.176 545 HZ3 LYS 71 HZ3 LYS 71 12.517 8.966 -10.784 546 H LEU 72 HN LEU 72 8.003 6.358 -4.118 547 HA LEU 72 HA LEU 72 7.432 4.130 -5.908 548 HB2 LEU 72 HB2 LEU 72 6.757 4.576 -3.296 549 HB3 LEU 72 HB3 LEU 72 5.427 5.420 -4.073 550 HG LEU 72 HG LEU 72 4.871 3.517 -5.281 551 HD11 LEU 72 HD11 LEU 72 5.623 1.180 -4.480 552 HD12 LEU 72 HD12 LEU 72 7.090 2.021 -3.919 553 HD13 LEU 72 HD13 LEU 72 6.592 2.060 -5.641 554 HD21 LEU 72 HD21 LEU 72 4.061 2.107 -3.235 555 HD22 LEU 72 HD22 LEU 72 3.784 3.836 -3.123 556 HD23 LEU 72 HD23 LEU 72 5.183 3.087 -2.287 557 H SER 73 HN SER 73 5.557 4.201 -7.577 558 HA SER 73 HA SER 73 4.290 6.833 -7.869 559 HB2 SER 73 HB2 SER 73 5.452 5.328 -10.243 560 HB3 SER 73 HB3 SER 73 4.633 6.832 -10.289 561 HG SER 73 HG SER 73 6.453 7.519 -8.770 562 H PHE 74 HN PHE 74 2.098 6.601 -8.426 563 HA PHE 74 HA PHE 74 1.109 3.850 -8.993 564 HB2 PHE 74 HB2 PHE 74 0.464 5.525 -6.563 565 HB3 PHE 74 HB3 PHE 74 -0.807 4.559 -7.291 566 HD1 PHE 74 HD2 PHE 74 2.805 4.088 -6.308 567 HD2 PHE 74 HD1 PHE 74 -1.188 2.369 -6.280 568 HE1 PHE 74 HE2 PHE 74 3.628 1.949 -5.377 569 HE2 PHE 74 HE1 PHE 74 -0.323 0.489 -5.036 570 HZ PHE 74 HZ PHE 74 2.128 0.208 -4.728 571 H ASP 75 HN ASP 75 -0.540 3.866 -10.265 572 HA ASP 75 HA ASP 75 -1.349 6.020 -11.898 573 HB2 ASP 75 HB2 ASP 75 -1.464 3.645 -12.445 574 HB3 ASP 75 HB3 ASP 75 -2.696 3.404 -11.232 575 H ASP 76 HN ASP 76 -2.021 6.024 -8.734 576 HA ASP 76 HA ASP 76 -4.753 7.109 -8.742 577 HB2 ASP 76 HB2 ASP 76 -4.580 7.388 -6.474 578 HB3 ASP 76 HB3 ASP 76 -3.713 5.897 -6.783 579 H GLY 77 HN GLY 77 -1.537 8.186 -9.537 580 HA2 GLY 77 HA2 GLY 77 -0.981 10.106 -10.589 581 HA3 GLY 77 HA1 GLY 77 -2.666 10.600 -10.456 582 H HIS 78 HN HIS 78 -1.570 10.007 -7.361 583 HA HIS 78 HA HIS 78 -0.315 12.695 -7.045 584 HB2 HIS 78 HB2 HIS 78 -2.480 12.628 -5.909 585 HB3 HIS 78 HB3 HIS 78 -1.994 11.175 -5.034 586 HD1 HIS 78 HD1 HIS 78 -1.430 11.799 -2.611 587 HD2 HIS 78 HD2 HIS 78 -0.241 14.681 -5.446 588 HE1 HIS 78 HE1 HIS 78 -0.372 13.722 -1.301 589 H ASP 79 HN ASP 79 0.138 9.343 -6.946 590 HA ASP 79 HA ASP 79 1.856 7.995 -6.322 591 HB2 ASP 79 HB2 ASP 79 3.540 10.519 -6.597 592 HB3 ASP 79 HB3 ASP 79 4.128 8.865 -6.664 593 H SER 80 HN SER 80 4.241 8.493 -4.765 594 HA SER 80 HA SER 80 3.797 10.432 -2.857 595 HB2 SER 80 HB2 SER 80 2.600 8.515 -1.644 596 HB3 SER 80 HB3 SER 80 4.193 7.738 -1.546 597 HG SER 80 HG SER 80 3.337 9.255 0.188 598 H GLY 81 HN GLY 81 5.742 11.345 -2.943 599 HA2 GLY 81 HA2 GLY 81 7.904 10.219 -4.358 600 HA3 GLY 81 HA1 GLY 81 7.929 11.709 -3.399 601 H LEU 82 HN LEU 82 7.138 9.868 -0.958 602 HA LEU 82 HA LEU 82 9.794 8.695 -0.428 603 HB2 LEU 82 HB2 LEU 82 10.036 11.006 0.219 604 HB3 LEU 82 HB3 LEU 82 8.496 11.017 1.045 605 HG LEU 82 HG LEU 82 10.317 8.935 2.126 606 HD11 LEU 82 HD11 LEU 82 12.055 10.551 1.451 607 HD12 LEU 82 HD12 LEU 82 11.911 10.426 3.211 608 HD13 LEU 82 HD13 LEU 82 11.220 11.828 2.365 609 HD21 LEU 82 HD21 LEU 82 8.968 11.343 3.445 610 HD22 LEU 82 HD22 LEU 82 9.753 9.991 4.288 611 HD23 LEU 82 HD23 LEU 82 8.295 9.702 3.339 612 H PHE 83 HN PHE 83 9.180 6.679 -0.039 613 HA PHE 83 HA PHE 83 7.076 6.167 2.013 614 HB2 PHE 83 HB2 PHE 83 8.174 4.630 -0.268 615 HB3 PHE 83 HB3 PHE 83 7.895 3.717 1.194 616 HD1 PHE 83 HD2 PHE 83 6.255 5.860 -1.359 617 HD2 PHE 83 HD1 PHE 83 5.676 3.306 2.093 618 HE1 PHE 83 HE2 PHE 83 3.809 5.730 -1.821 619 HE2 PHE 83 HE1 PHE 83 3.203 3.189 1.556 620 HZ PHE 83 HZ PHE 83 2.359 4.350 -0.433 621 H THR 84 HN THR 84 10.194 6.977 2.209 622 HA THR 84 HA THR 84 11.931 6.552 3.531 623 HB THR 84 HB THR 84 10.215 5.534 5.758 624 HG1 THR 84 HG1 THR 84 9.533 7.877 5.932 625 HG21 THR 84 HG21 THR 84 12.609 6.288 6.069 626 HG22 THR 84 HG22 THR 84 11.458 7.268 6.982 627 HG23 THR 84 HG23 THR 84 12.156 7.880 5.471 628 H TRP 85 HN TRP 85 12.811 4.521 5.336 629 HA TRP 85 HA TRP 85 12.257 2.029 3.819 630 HB2 TRP 85 HB2 TRP 85 14.632 2.909 5.469 631 HB3 TRP 85 HB3 TRP 85 14.339 1.238 5.080 632 HD1 TRP 85 HD1 TRP 85 16.383 3.684 3.940 633 HE1 TRP 85 HE1 TRP 85 16.920 3.665 1.403 634 HE3 TRP 85 HE3 TRP 85 12.726 0.491 2.448 635 HZ2 TRP 85 HZ2 TRP 85 15.936 2.122 -0.945 636 HZ3 TRP 85 HZ3 TRP 85 12.559 -0.256 0.125 637 HH2 TRP 85 HH2 TRP 85 14.189 0.548 -1.586 638 H ASP 86 HN ASP 86 12.502 3.189 7.213 639 HA ASP 86 HA ASP 86 12.019 0.651 8.362 640 HB2 ASP 86 HB2 ASP 86 11.576 3.453 9.432 641 HB3 ASP 86 HB3 ASP 86 11.237 2.005 10.378 642 H TYR 87 HN TYR 87 9.783 2.881 6.916 643 HA TYR 87 HA TYR 87 7.358 1.696 8.005 644 HB2 TYR 87 HB2 TYR 87 7.607 4.077 7.356 645 HB3 TYR 87 HB3 TYR 87 7.856 3.604 5.687 646 HD1 TYR 87 HD1 TYR 87 5.319 2.516 8.276 647 HD2 TYR 87 HD2 TYR 87 6.010 4.374 4.442 648 HE1 TYR 87 HE1 TYR 87 2.899 2.918 8.030 649 HE2 TYR 87 HE2 TYR 87 3.553 4.729 4.173 650 HH TYR 87 HH TYR 87 1.493 4.738 6.711 651 H LEU 88 HN LEU 88 9.363 1.163 5.083 652 HA LEU 88 HA LEU 88 7.165 0.024 3.604 653 HB2 LEU 88 HB2 LEU 88 10.138 0.197 3.184 654 HB3 LEU 88 HB3 LEU 88 9.219 -0.953 2.207 655 HG LEU 88 HG LEU 88 8.668 2.033 2.426 656 HD11 LEU 88 HD11 LEU 88 10.765 1.600 1.268 657 HD12 LEU 88 HD12 LEU 88 9.538 2.090 0.099 658 HD13 LEU 88 HD13 LEU 88 9.989 0.372 0.236 659 HD21 LEU 88 HD21 LEU 88 7.284 1.563 0.326 660 HD22 LEU 88 HD22 LEU 88 6.592 0.964 1.827 661 HD23 LEU 88 HD23 LEU 88 7.417 -0.164 0.726 662 H TYR 89 HN TYR 89 10.063 -1.727 4.880 663 HA TYR 89 HA TYR 89 8.946 -4.276 4.524 664 HB2 TYR 89 HB2 TYR 89 11.232 -3.087 5.946 665 HB3 TYR 89 HB3 TYR 89 10.656 -4.497 6.736 666 HD1 TYR 89 HD2 TYR 89 9.768 -6.251 4.297 667 HD2 TYR 89 HD1 TYR 89 13.284 -3.823 5.021 668 HE1 TYR 89 HE2 TYR 89 10.959 -7.432 2.599 669 HE2 TYR 89 HE1 TYR 89 14.567 -5.249 3.559 670 HH TYR 89 HH TYR 89 13.950 -7.949 2.426 671 H GLU 90 HN GLU 90 8.498 -2.058 7.236 672 HA GLU 90 HA GLU 90 7.205 -3.669 9.106 673 HB2 GLU 90 HB2 GLU 90 7.764 -1.246 9.263 674 HB3 GLU 90 HB3 GLU 90 6.477 -0.871 8.136 675 HG2 GLU 90 HG2 GLU 90 5.009 -0.682 9.762 676 HG3 GLU 90 HG3 GLU 90 5.261 -2.372 10.208 677 H LEU 91 HN LEU 91 5.717 -1.977 6.307 678 HA LEU 91 HA LEU 91 3.171 -3.202 6.692 679 HB2 LEU 91 HB2 LEU 91 4.290 -1.910 4.192 680 HB3 LEU 91 HB3 LEU 91 2.586 -2.161 4.569 681 HG LEU 91 HG LEU 91 4.344 -0.483 6.380 682 HD11 LEU 91 HD11 LEU 91 4.094 1.447 5.198 683 HD12 LEU 91 HD12 LEU 91 2.769 0.855 4.198 684 HD13 LEU 91 HD13 LEU 91 4.445 0.300 3.921 685 HD21 LEU 91 HD21 LEU 91 1.367 -0.339 5.944 686 HD22 LEU 91 HD22 LEU 91 2.342 0.699 6.990 687 HD23 LEU 91 HD23 LEU 91 2.229 -1.021 7.349 688 H ALA 92 HN ALA 92 6.005 -4.277 4.879 689 HA ALA 92 HA ALA 92 4.899 -6.186 3.098 690 HB1 ALA 92 HB1 ALA 92 7.520 -6.618 4.625 691 HB2 ALA 92 HB2 ALA 92 7.033 -7.254 3.067 692 HB3 ALA 92 HB3 ALA 92 7.353 -5.523 3.231 693 H THR 93 HN THR 93 6.012 -6.617 6.457 694 HA THR 93 HA THR 93 4.757 -9.320 6.504 695 HB THR 93 HB THR 93 7.089 -9.126 7.027 696 HG1 THR 93 HG1 THR 93 6.282 -10.846 8.021 697 HG21 THR 93 HG21 THR 93 7.941 -8.216 9.022 698 HG22 THR 93 HG22 THR 93 6.329 -7.581 9.492 699 HG23 THR 93 HG23 THR 93 7.169 -6.946 8.067 700 H ARG 94 HN ARG 94 3.785 -6.220 7.465 701 HA ARG 94 HA ARG 94 1.848 -7.261 9.501 702 HB2 ARG 94 HB2 ARG 94 2.600 -4.525 8.578 703 HB3 ARG 94 HB3 ARG 94 1.282 -4.850 9.682 704 HG2 ARG 94 HG2 ARG 94 3.847 -6.143 10.495 705 HG3 ARG 94 HG3 ARG 94 3.948 -4.421 10.339 706 HD2 ARG 94 HD2 ARG 94 3.289 -4.542 12.490 707 HD3 ARG 94 HD3 ARG 94 1.733 -4.386 11.735 708 HE ARG 94 HE ARG 94 2.493 -7.150 12.117 709 HH11 ARG 94 HH11 ARG 94 1.348 -4.261 13.872 710 HH12 ARG 94 HH12 ARG 94 0.934 -5.130 15.323 711 HH21 ARG 94 HH21 ARG 94 1.477 -8.335 13.957 712 HH22 ARG 94 HH22 ARG 94 0.770 -7.428 15.231 713 H LYS 95 HN LYS 95 1.945 -6.753 6.104 714 HA LYS 95 HA LYS 95 -0.391 -5.630 5.401 715 HB2 LYS 95 HB2 LYS 95 1.140 -6.305 3.776 716 HB3 LYS 95 HB3 LYS 95 1.086 -7.991 4.224 717 HG2 LYS 95 HG2 LYS 95 -1.095 -8.280 3.359 718 HG3 LYS 95 HG3 LYS 95 -1.311 -6.543 3.024 719 HD2 LYS 95 HD2 LYS 95 -0.201 -6.693 1.039 720 HD3 LYS 95 HD3 LYS 95 1.086 -7.690 1.741 721 HE2 LYS 95 HE2 LYS 95 -0.044 -8.917 -0.019 722 HE3 LYS 95 HE3 LYS 95 -0.231 -9.713 1.546 723 HZ1 LYS 95 HZ1 LYS 95 -2.363 -8.036 0.352 724 HZ2 LYS 95 HZ2 LYS 95 -2.465 -8.929 1.726 725 HZ3 LYS 95 HZ3 LYS 95 -2.295 -9.648 0.275 726 H ASP 96 HN ASP 96 -0.133 -8.923 6.452 727 HA ASP 96 HA ASP 96 -2.781 -9.811 5.899 728 HB2 ASP 96 HB2 ASP 96 -0.745 -11.157 6.496 729 HB3 ASP 96 HB3 ASP 96 -0.993 -10.735 8.180 730 H GLN 97 HN GLN 97 -1.670 -7.868 8.700 731 HA GLN 97 HA GLN 97 -4.297 -8.019 10.018 732 HB2 GLN 97 HB2 GLN 97 -2.269 -8.018 11.361 733 HB3 GLN 97 HB3 GLN 97 -1.650 -6.602 10.544 734 HG2 GLN 97 HG2 GLN 97 -2.344 -6.021 12.736 735 HG3 GLN 97 HG3 GLN 97 -3.360 -5.184 11.568 736 HE21 GLN 97 HE21 GLN 97 -5.525 -5.281 11.938 737 HE22 GLN 97 HE22 GLN 97 -6.318 -6.309 13.102 738 H LEU 98 HN LEU 98 -2.149 -5.621 8.517 739 HA LEU 98 HA LEU 98 -3.719 -3.320 8.663 740 HB2 LEU 98 HB2 LEU 98 -2.007 -4.115 6.270 741 HB3 LEU 98 HB3 LEU 98 -2.382 -2.462 6.760 742 HG LEU 98 HG LEU 98 -0.742 -4.329 8.516 743 HD11 LEU 98 HD11 LEU 98 1.245 -3.043 7.770 744 HD12 LEU 98 HD12 LEU 98 0.279 -2.332 6.480 745 HD13 LEU 98 HD13 LEU 98 0.608 -4.076 6.513 746 HD21 LEU 98 HD21 LEU 98 -0.777 -1.334 8.442 747 HD22 LEU 98 HD22 LEU 98 0.037 -2.478 9.596 748 HD23 LEU 98 HD23 LEU 98 -1.735 -2.377 9.586 749 H TRP 99 HN TRP 99 -3.827 -5.873 6.141 750 HA TRP 99 HA TRP 99 -5.484 -4.346 4.398 751 HB2 TRP 99 HB2 TRP 99 -4.128 -6.300 3.663 752 HB3 TRP 99 HB3 TRP 99 -5.167 -7.367 4.600 753 HD1 TRP 99 HD1 TRP 99 -6.612 -8.667 2.994 754 HE1 TRP 99 HE1 TRP 99 -7.899 -8.246 0.822 755 HE3 TRP 99 HE3 TRP 99 -5.679 -3.657 2.487 756 HZ2 TRP 99 HZ2 TRP 99 -8.482 -5.998 -0.894 757 HZ3 TRP 99 HZ3 TRP 99 -6.504 -2.431 0.483 758 HH2 TRP 99 HH2 TRP 99 -7.870 -3.590 -1.218 759 H ALA 100 HN ALA 100 -6.222 -6.942 6.740 760 HA ALA 100 HA ALA 100 -9.029 -6.940 6.416 761 HB1 ALA 100 HB1 ALA 100 -9.004 -7.955 8.691 762 HB2 ALA 100 HB2 ALA 100 -7.798 -8.672 7.597 763 HB3 ALA 100 HB3 ALA 100 -7.284 -7.517 8.836 764 H ASP 101 HN ASP 101 -6.931 -4.929 8.516 765 HA ASP 101 HA ASP 101 -8.938 -3.472 9.903 766 HB2 ASP 101 HB2 ASP 101 -6.070 -2.909 9.103 767 HB3 ASP 101 HB3 ASP 101 -7.025 -1.639 9.825 768 H TYR 102 HN TYR 102 -7.179 -2.632 6.851 769 HA TYR 102 HA TYR 102 -8.744 -0.335 6.336 770 HB2 TYR 102 HB2 TYR 102 -6.932 -2.131 4.719 771 HB3 TYR 102 HB3 TYR 102 -7.854 -0.910 3.920 772 HD1 TYR 102 HD2 TYR 102 -7.677 1.450 5.849 773 HD2 TYR 102 HD1 TYR 102 -4.683 -1.466 4.748 774 HE1 TYR 102 HE2 TYR 102 -5.926 3.005 6.521 775 HE2 TYR 102 HE1 TYR 102 -2.911 0.129 5.404 776 HH TYR 102 HH TYR 102 -3.633 3.347 6.801 777 H LEU 103 HN LEU 103 -9.387 -3.682 5.451 778 HA LEU 103 HA LEU 103 -11.761 -3.137 3.868 779 HB2 LEU 103 HB2 LEU 103 -11.073 -5.523 5.645 780 HB3 LEU 103 HB3 LEU 103 -12.664 -5.305 4.955 781 HG LEU 103 HG LEU 103 -11.546 -6.864 3.627 782 HD11 LEU 103 HD11 LEU 103 -11.537 -4.234 2.103 783 HD12 LEU 103 HD12 LEU 103 -12.912 -5.324 2.347 784 HD13 LEU 103 HD13 LEU 103 -11.503 -5.857 1.407 785 HD21 LEU 103 HD21 LEU 103 -9.226 -6.415 4.143 786 HD22 LEU 103 HD22 LEU 103 -9.260 -4.904 3.200 787 HD23 LEU 103 HD23 LEU 103 -9.485 -6.473 2.410 788 H ALA 104 HN ALA 104 -11.391 -3.693 7.413 789 HA ALA 104 HA ALA 104 -14.116 -3.450 8.055 790 HB1 ALA 104 HB1 ALA 104 -11.758 -2.599 9.789 791 HB2 ALA 104 HB2 ALA 104 -13.357 -3.126 10.327 792 HB3 ALA 104 HB3 ALA 104 -12.262 -4.284 9.550 793 H GLU 105 HN GLU 105 -11.546 -0.972 7.913 794 HA GLU 105 HA GLU 105 -12.948 1.343 8.531 795 HB2 GLU 105 HB2 GLU 105 -10.692 0.705 6.648 796 HB3 GLU 105 HB3 GLU 105 -11.334 2.336 6.764 797 HG2 GLU 105 HG2 GLU 105 -10.730 1.032 9.387 798 HG3 GLU 105 HG3 GLU 105 -9.362 1.358 8.339 799 H LEU 106 HN LEU 106 -12.560 -0.072 5.234 800 HA LEU 106 HA LEU 106 -14.242 1.773 3.907 801 HB2 LEU 106 HB2 LEU 106 -12.894 -0.743 3.253 802 HB3 LEU 106 HB3 LEU 106 -14.541 -0.845 2.693 803 HG LEU 106 HG LEU 106 -13.303 -0.015 0.859 804 HD11 LEU 106 HD11 LEU 106 -14.379 1.995 0.332 805 HD12 LEU 106 HD12 LEU 106 -14.496 2.519 2.000 806 HD13 LEU 106 HD13 LEU 106 -15.475 1.148 1.433 807 HD21 LEU 106 HD21 LEU 106 -12.136 2.201 2.563 808 HD22 LEU 106 HD22 LEU 106 -11.724 1.750 0.893 809 HD23 LEU 106 HD23 LEU 106 -11.321 0.668 2.226 810 H ALA 107 HN ALA 107 -15.060 -1.192 5.548 811 HA ALA 107 HA ALA 107 -17.814 -1.250 4.630 812 HB1 ALA 107 HB1 ALA 107 -18.004 -3.075 6.318 813 HB2 ALA 107 HB2 ALA 107 -16.604 -3.304 5.256 814 HB3 ALA 107 HB3 ALA 107 -16.361 -2.689 6.892 815 H SER 108 HN SER 108 -16.112 0.151 7.465 816 HA SER 108 HA SER 108 -18.599 0.768 8.842 817 HB2 SER 108 HB2 SER 108 -16.242 0.222 9.786 818 HB3 SER 108 HB3 SER 108 -15.898 1.941 9.524 819 HG SER 108 HG SER 108 -17.023 0.833 11.547 820 H ALA 109 HN ALA 109 -16.273 2.500 6.720 821 HA ALA 109 HA ALA 109 -17.345 5.116 7.092 822 HB1 ALA 109 HB1 ALA 109 -15.130 4.618 6.161 823 HB2 ALA 109 HB2 ALA 109 -15.875 3.878 4.719 824 HB3 ALA 109 HB3 ALA 109 -16.070 5.619 5.040 825 H GLY 110 HN GLY 110 -18.612 2.412 5.289 826 HA2 GLY 110 HA2 GLY 110 -20.625 2.251 4.159 827 HA3 GLY 110 HA1 GLY 110 -20.929 3.960 4.453 828 H LYS 111 HN LYS 111 -17.927 2.723 2.890 829 HA LYS 111 HA LYS 111 -18.891 3.896 0.305 830 HB2 LYS 111 HB2 LYS 111 -16.004 3.971 1.206 831 HB3 LYS 111 HB3 LYS 111 -16.716 4.752 -0.188 832 HG2 LYS 111 HG2 LYS 111 -17.250 5.531 2.711 833 HG3 LYS 111 HG3 LYS 111 -16.169 6.356 1.596 834 HD2 LYS 111 HD2 LYS 111 -18.096 6.845 0.077 835 HD3 LYS 111 HD3 LYS 111 -19.172 6.037 1.222 836 HE2 LYS 111 HE2 LYS 111 -18.129 7.715 2.967 837 HE3 LYS 111 HE3 LYS 111 -17.662 8.619 1.521 838 HZ1 LYS 111 HZ1 LYS 111 -19.876 9.356 2.200 839 HZ2 LYS 111 HZ2 LYS 111 -20.410 7.799 2.331 840 HZ3 LYS 111 HZ3 LYS 111 -20.095 8.398 0.868 841 H SER 112 HN SER 112 -16.729 3.016 -1.299 842 HA SER 112 HA SER 112 -16.333 0.162 -0.723 843 HB2 SER 112 HB2 SER 112 -17.512 1.167 -3.317 844 HB3 SER 112 HB3 SER 112 -16.969 -0.490 -2.993 845 HG SER 112 HG SER 112 -18.569 0.113 -0.999 846 H ARG 113 HN ARG 113 -14.683 -0.751 -1.887 847 HA ARG 113 HA ARG 113 -12.406 0.916 -2.517 848 HB2 ARG 113 HB2 ARG 113 -13.121 -1.962 -3.305 849 HB3 ARG 113 HB3 ARG 113 -11.558 -1.225 -3.584 850 HG2 ARG 113 HG2 ARG 113 -11.640 -0.677 -1.002 851 HG3 ARG 113 HG3 ARG 113 -12.801 -2.023 -0.963 852 HD2 ARG 113 HD2 ARG 113 -11.114 -3.469 -2.124 853 HD3 ARG 113 HD3 ARG 113 -9.978 -2.112 -2.141 854 HE ARG 113 HE ARG 113 -10.595 -3.871 -0.008 855 HH11 ARG 113 HH11 ARG 113 -8.876 -0.896 -0.819 856 HH12 ARG 113 HH12 ARG 113 -8.895 -0.217 0.801 857 HH21 ARG 113 HH21 ARG 113 -10.106 -3.143 2.308 858 HH22 ARG 113 HH22 ARG 113 -9.545 -1.528 2.565 859 H ASP 114 HN ASP 114 -14.984 -0.620 -4.396 860 HA ASP 114 HA ASP 114 -13.832 0.063 -6.960 861 HB2 ASP 114 HB2 ASP 114 -16.259 -1.362 -5.948 862 HB3 ASP 114 HB3 ASP 114 -16.419 -0.605 -7.531 863 HA PRO 115 HA PRO 115 -15.186 4.143 -7.400 864 HB2 PRO 115 HB2 PRO 115 -15.861 4.348 -10.092 865 HB3 PRO 115 HB3 PRO 115 -14.190 4.271 -9.451 866 HG2 PRO 115 HG2 PRO 115 -15.849 1.987 -10.572 867 HG3 PRO 115 HG3 PRO 115 -14.153 2.384 -10.894 868 HD2 PRO 115 HD2 PRO 115 -14.915 0.500 -9.098 869 HD3 PRO 115 HD3 PRO 115 -13.481 1.521 -8.795 870 H ASP 116 HN ASP 116 -17.499 1.939 -8.958 871 HA ASP 116 HA ASP 116 -19.723 3.431 -7.690 872 HB2 ASP 116 HB2 ASP 116 -19.515 4.296 -9.964 873 HB3 ASP 116 HB3 ASP 116 -19.654 2.659 -10.626 874 H GLU 117 HN GLU 117 -18.869 1.270 -6.378 875 HA GLU 117 HA GLU 117 -20.069 -1.116 -7.248 876 HB2 GLU 117 HB2 GLU 117 -18.471 -0.357 -5.096 877 HB3 GLU 117 HB3 GLU 117 -20.032 -0.613 -4.305 878 HG2 GLU 117 HG2 GLU 117 -19.682 -2.763 -6.129 879 HG3 GLU 117 HG3 GLU 117 -18.124 -2.537 -5.388 880 H SER 118 HN SER 118 -22.125 -1.936 -6.927 881 HA SER 118 HA SER 118 -24.136 -0.183 -5.729 882 HB2 SER 118 HB2 SER 118 -23.447 0.122 -8.338 883 HB3 SER 118 HB3 SER 118 -24.622 -1.176 -8.534 884 HG SER 118 HG SER 118 -25.088 1.290 -8.499 885 H VAL 119 HN VAL 119 -23.175 -2.837 -4.923 886 HA VAL 119 HA VAL 119 -25.257 -4.619 -5.979 887 HB VAL 119 HB VAL 119 -22.831 -5.317 -4.303 888 HG11 VAL 119 HG11 VAL 119 -23.199 -7.541 -5.265 889 HG12 VAL 119 HG12 VAL 119 -24.649 -7.019 -4.402 890 HG13 VAL 119 HG13 VAL 119 -24.605 -6.949 -6.180 891 HG21 VAL 119 HG21 VAL 119 -22.071 -4.135 -6.309 892 HG22 VAL 119 HG22 VAL 119 -21.798 -5.884 -6.516 893 HG23 VAL 119 HG23 VAL 119 -23.171 -5.079 -7.329 894 H VAL 120 HN VAL 120 -27.109 -4.372 -4.976 895 HA VAL 120 HA VAL 120 -27.483 -3.797 -2.177 896 HB VAL 120 HB VAL 120 -29.381 -4.614 -4.421 897 HG11 VAL 120 HG11 VAL 120 -30.471 -5.108 -2.271 898 HG12 VAL 120 HG12 VAL 120 -30.059 -3.493 -1.675 899 HG13 VAL 120 HG13 VAL 120 -31.201 -3.690 -3.020 900 HG21 VAL 120 HG21 VAL 120 -29.979 -2.216 -4.469 901 HG22 VAL 120 HG22 VAL 120 -28.775 -1.883 -3.211 902 HG23 VAL 120 HG23 VAL 120 -28.267 -2.427 -4.813 903 H LYS 121 HN LYS 121 -26.108 -5.547 -1.395 904 HA LYS 121 HA LYS 121 -26.969 -8.321 -1.621 905 HB2 LYS 121 HB2 LYS 121 -25.205 -6.851 0.393 906 HB3 LYS 121 HB3 LYS 121 -25.534 -8.568 0.493 907 HG2 LYS 121 HG2 LYS 121 -24.671 -8.648 -1.990 908 HG3 LYS 121 HG3 LYS 121 -23.927 -7.090 -1.595 909 HD2 LYS 121 HD2 LYS 121 -22.753 -8.149 0.319 910 HD3 LYS 121 HD3 LYS 121 -23.566 -9.689 -0.037 911 HE2 LYS 121 HE2 LYS 121 -22.502 -9.708 -2.292 912 HE3 LYS 121 HE3 LYS 121 -21.614 -8.228 -1.876 913 HZ1 LYS 121 HZ1 LYS 121 -21.407 -10.780 -0.371 914 HZ2 LYS 121 HZ2 LYS 121 -20.486 -9.447 -0.136 915 HZ3 LYS 121 HZ3 LYS 121 -20.333 -10.319 -1.507 916 H LEU 122 HN LEU 122 -27.856 -9.576 0.189 917 HA LEU 122 HA LEU 122 -29.627 -8.018 2.024 918 HB2 LEU 122 HB2 LEU 122 -30.217 -10.723 0.725 919 HB3 LEU 122 HB3 LEU 122 -31.099 -10.013 2.060 920 HG LEU 122 HG LEU 122 -31.494 -7.979 0.442 921 HD11 LEU 122 HD11 LEU 122 -31.787 -8.722 -1.929 922 HD12 LEU 122 HD12 LEU 122 -30.999 -10.264 -1.534 923 HD13 LEU 122 HD13 LEU 122 -30.092 -8.738 -1.457 924 HD21 LEU 122 HD21 LEU 122 -32.919 -10.661 0.141 925 HD22 LEU 122 HD22 LEU 122 -33.576 -9.082 -0.340 926 HD23 LEU 122 HD23 LEU 122 -33.252 -9.416 1.365 927 H MET 123 HN MET 123 -29.913 -9.039 4.059 928 HA MET 123 HA MET 123 -29.360 -10.018 5.965 929 HB2 MET 123 HB2 MET 123 -28.715 -12.106 4.158 930 HB3 MET 123 HB3 MET 123 -27.327 -11.979 5.229 931 HG2 MET 123 HG2 MET 123 -30.236 -12.173 6.125 932 HG3 MET 123 HG3 MET 123 -29.175 -13.556 5.915 933 HE1 MET 123 HE1 MET 123 -30.749 -13.286 8.520 934 HE2 MET 123 HE2 MET 123 -29.552 -14.556 8.174 935 HE3 MET 123 HE3 MET 123 -29.493 -13.674 9.712 936 H LEU 124 HN LEU 124 -27.206 -10.568 7.319 937 HA LEU 124 HA LEU 124 -25.506 -8.154 7.008 938 HB2 LEU 124 HB2 LEU 124 -25.979 -9.861 9.495 939 HB3 LEU 124 HB3 LEU 124 -24.907 -8.488 9.354 940 HG LEU 124 HG LEU 124 -27.234 -7.308 8.515 941 HD11 LEU 124 HD11 LEU 124 -29.036 -7.984 10.027 942 HD12 LEU 124 HD12 LEU 124 -28.018 -9.267 10.721 943 HD13 LEU 124 HD13 LEU 124 -28.562 -9.366 9.029 944 HD21 LEU 124 HD21 LEU 124 -25.699 -6.400 10.183 945 HD22 LEU 124 HD22 LEU 124 -26.262 -7.573 11.393 946 HD23 LEU 124 HD23 LEU 124 -27.357 -6.319 10.760 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 19.216 -2.611 13.756 2 HA2 GLY 1 HA2 GLY 1 19.783 -0.784 12.312 3 HA3 GLY 1 HA1 GLY 1 20.426 -2.276 11.594 4 H MET 2 HN MET 2 20.301 -1.054 9.500 5 HA MET 2 HA MET 2 17.676 -0.187 8.623 6 HB2 MET 2 HB2 MET 2 18.703 0.579 6.616 7 HB3 MET 2 HB3 MET 2 19.705 1.030 7.991 8 HG2 MET 2 HG2 MET 2 20.729 -1.372 7.461 9 HG3 MET 2 HG3 MET 2 20.185 -0.952 5.830 10 HE1 MET 2 HE1 MET 2 22.815 -0.229 8.695 11 HE2 MET 2 HE2 MET 2 23.484 1.335 8.202 12 HE3 MET 2 HE3 MET 2 21.808 1.236 8.770 13 H ARG 3 HN ARG 3 16.452 -1.016 6.840 14 HA ARG 3 HA ARG 3 17.055 -3.839 6.037 15 HB2 ARG 3 HB2 ARG 3 14.376 -2.563 6.623 16 HB3 ARG 3 HB3 ARG 3 14.623 -4.053 5.706 17 HG2 ARG 3 HG2 ARG 3 16.090 -4.400 8.129 18 HG3 ARG 3 HG3 ARG 3 14.514 -3.688 8.538 19 HD2 ARG 3 HD2 ARG 3 13.446 -5.397 7.059 20 HD3 ARG 3 HD3 ARG 3 14.985 -6.178 6.865 21 HE ARG 3 HE ARG 3 13.533 -5.793 9.463 22 HH11 ARG 3 HH11 ARG 3 15.676 -7.918 7.471 23 HH12 ARG 3 HH12 ARG 3 15.475 -9.262 8.546 24 HH21 ARG 3 HH21 ARG 3 13.599 -7.529 10.988 25 HH22 ARG 3 HH22 ARG 3 14.537 -8.939 10.652 26 H ILE 4 HN ILE 4 18.396 -2.779 4.348 27 HA ILE 4 HA ILE 4 16.914 -0.978 2.486 28 HB ILE 4 HB ILE 4 19.857 -1.708 2.505 29 HG12 ILE 4 HG12 ILE 4 18.549 0.989 3.000 30 HG13 ILE 4 HG13 ILE 4 18.961 -0.086 4.314 31 HG21 ILE 4 HG21 ILE 4 20.005 0.030 0.678 32 HG22 ILE 4 HG22 ILE 4 18.985 -1.314 0.184 33 HG23 ILE 4 HG23 ILE 4 18.249 0.204 0.709 34 HD11 ILE 4 HD11 ILE 4 21.347 -0.019 3.557 35 HD12 ILE 4 HD12 ILE 4 20.880 1.229 2.366 36 HD13 ILE 4 HD13 ILE 4 20.691 1.541 4.094 37 HA PRO 5 HA PRO 5 16.095 -4.875 0.430 38 HB2 PRO 5 HB2 PRO 5 15.184 -3.916 -2.029 39 HB3 PRO 5 HB3 PRO 5 14.196 -4.122 -0.569 40 HG2 PRO 5 HG2 PRO 5 15.537 -1.636 -1.659 41 HG3 PRO 5 HG3 PRO 5 13.946 -1.781 -0.877 42 HD2 PRO 5 HD2 PRO 5 16.190 -0.824 0.365 43 HD3 PRO 5 HD3 PRO 5 14.915 -1.701 1.256 44 H SER 6 HN SER 6 16.389 -5.749 -1.822 45 HA SER 6 HA SER 6 18.896 -5.182 -3.119 46 HB2 SER 6 HB2 SER 6 18.664 -7.898 -1.748 47 HB3 SER 6 HB3 SER 6 20.031 -7.248 -2.672 48 HG SER 6 HG SER 6 19.583 -5.489 -0.822 49 H ALA 7 HN ALA 7 16.155 -7.384 -2.447 50 HA ALA 7 HA ALA 7 15.829 -7.940 -5.340 51 HB1 ALA 7 HB1 ALA 7 13.872 -9.254 -4.583 52 HB2 ALA 7 HB2 ALA 7 15.359 -9.839 -3.812 53 HB3 ALA 7 HB3 ALA 7 14.224 -8.817 -2.899 54 H ILE 8 HN ILE 8 14.271 -6.836 -6.461 55 HA ILE 8 HA ILE 8 12.447 -4.979 -5.150 56 HB ILE 8 HB ILE 8 14.455 -4.149 -7.295 57 HG12 ILE 8 HG12 ILE 8 15.357 -3.894 -5.034 58 HG13 ILE 8 HG13 ILE 8 15.200 -2.388 -5.932 59 HG21 ILE 8 HG21 ILE 8 12.340 -3.292 -8.022 60 HG22 ILE 8 HG22 ILE 8 11.916 -2.765 -6.399 61 HG23 ILE 8 HG23 ILE 8 13.219 -1.941 -7.289 62 HD11 ILE 8 HD11 ILE 8 13.131 -1.839 -4.681 63 HD12 ILE 8 HD12 ILE 8 13.347 -3.333 -3.727 64 HD13 ILE 8 HD13 ILE 8 14.531 -1.999 -3.642 65 H GLN 9 HN GLN 9 10.518 -5.396 -6.150 66 HA GLN 9 HA GLN 9 10.360 -6.038 -9.001 67 HB2 GLN 9 HB2 GLN 9 9.548 -7.848 -6.734 68 HB3 GLN 9 HB3 GLN 9 8.574 -7.844 -8.204 69 HG2 GLN 9 HG2 GLN 9 10.438 -8.547 -9.541 70 HG3 GLN 9 HG3 GLN 9 11.562 -8.376 -8.193 71 HE21 GLN 9 HE21 GLN 9 8.877 -9.750 -6.742 72 HE22 GLN 9 HE22 GLN 9 9.277 -11.395 -6.937 73 H LEU 10 HN LEU 10 8.616 -4.839 -9.767 74 HA LEU 10 HA LEU 10 6.530 -4.102 -7.836 75 HB2 LEU 10 HB2 LEU 10 6.214 -2.150 -8.972 76 HB3 LEU 10 HB3 LEU 10 7.929 -2.280 -8.845 77 HG LEU 10 HG LEU 10 7.657 -3.281 -11.350 78 HD11 LEU 10 HD11 LEU 10 5.912 -1.869 -12.492 79 HD12 LEU 10 HD12 LEU 10 5.279 -1.399 -10.921 80 HD13 LEU 10 HD13 LEU 10 5.218 -3.100 -11.437 81 HD21 LEU 10 HD21 LEU 10 7.611 -0.333 -10.560 82 HD22 LEU 10 HD22 LEU 10 8.085 -0.961 -12.161 83 HD23 LEU 10 HD23 LEU 10 9.050 -1.357 -10.736 84 H HIS 11 HN HIS 11 7.343 -6.195 -10.178 85 HA HIS 11 HA HIS 11 6.467 -7.414 -11.776 86 HB2 HIS 11 HB2 HIS 11 4.333 -7.680 -9.656 87 HB3 HIS 11 HB3 HIS 11 4.243 -8.539 -11.192 88 HD1 HIS 11 HD1 HIS 11 6.451 -10.129 -11.765 89 HD2 HIS 11 HD2 HIS 11 5.981 -8.719 -7.806 90 HE1 HIS 11 HE1 HIS 11 7.911 -11.581 -10.275 91 H LYS 12 HN LYS 12 6.528 -5.434 -13.106 92 HA LYS 12 HA LYS 12 4.237 -3.839 -13.372 93 HB2 LYS 12 HB2 LYS 12 6.725 -3.456 -14.051 94 HB3 LYS 12 HB3 LYS 12 6.257 -4.173 -15.609 95 HG2 LYS 12 HG2 LYS 12 4.749 -2.413 -16.055 96 HG3 LYS 12 HG3 LYS 12 4.638 -1.941 -14.352 97 HD2 LYS 12 HD2 LYS 12 6.764 -0.924 -14.328 98 HD3 LYS 12 HD3 LYS 12 7.193 -1.568 -15.930 99 HE2 LYS 12 HE2 LYS 12 5.037 0.492 -15.269 100 HE3 LYS 12 HE3 LYS 12 6.627 0.816 -15.969 101 HZ1 LYS 12 HZ1 LYS 12 5.135 0.762 -17.741 102 HZ2 LYS 12 HZ2 LYS 12 4.354 -0.568 -17.205 103 HZ3 LYS 12 HZ3 LYS 12 5.859 -0.730 -17.830 104 H ALA 13 HN ALA 13 4.427 -7.038 -14.390 105 HA ALA 13 HA ALA 13 2.221 -6.699 -16.333 106 HB1 ALA 13 HB1 ALA 13 3.452 -9.179 -15.057 107 HB2 ALA 13 HB2 ALA 13 2.092 -9.167 -16.201 108 HB3 ALA 13 HB3 ALA 13 3.683 -8.602 -16.724 109 H SER 14 HN SER 14 2.423 -8.707 -13.321 110 HA SER 14 HA SER 14 -0.233 -8.729 -12.850 111 HB2 SER 14 HB2 SER 14 1.778 -8.986 -10.621 112 HB3 SER 14 HB3 SER 14 0.359 -9.982 -10.974 113 HG SER 14 HG SER 14 2.507 -10.841 -11.417 114 H LYS 15 HN LYS 15 1.827 -6.126 -11.955 115 HA LYS 15 HA LYS 15 1.975 -4.508 -10.516 116 HB2 LYS 15 HB2 LYS 15 -1.035 -4.505 -10.309 117 HB3 LYS 15 HB3 LYS 15 0.080 -3.195 -9.905 118 HG2 LYS 15 HG2 LYS 15 -0.028 -2.465 -12.026 119 HG3 LYS 15 HG3 LYS 15 0.459 -3.996 -12.695 120 HD2 LYS 15 HD2 LYS 15 -1.757 -4.787 -12.958 121 HD3 LYS 15 HD3 LYS 15 -2.410 -3.684 -11.728 122 HE2 LYS 15 HE2 LYS 15 -1.874 -1.775 -13.104 123 HE3 LYS 15 HE3 LYS 15 -1.368 -2.814 -14.442 124 HZ1 LYS 15 HZ1 LYS 15 -4.098 -2.810 -13.266 125 HZ2 LYS 15 HZ2 LYS 15 -3.618 -3.652 -14.578 126 HZ3 LYS 15 HZ3 LYS 15 -3.690 -2.000 -14.606 127 H THR 16 HN THR 16 3.042 -6.059 -9.111 128 HA THR 16 HA THR 16 1.735 -6.138 -6.499 129 HB THR 16 HB THR 16 3.001 -8.634 -7.720 130 HG1 THR 16 HG1 THR 16 0.651 -9.311 -7.411 131 HG21 THR 16 HG21 THR 16 1.415 -8.214 -5.142 132 HG22 THR 16 HG22 THR 16 3.177 -8.442 -5.249 133 HG23 THR 16 HG23 THR 16 2.097 -9.749 -5.727 134 H LEU 17 HN LEU 17 3.128 -5.292 -5.134 135 HA LEU 17 HA LEU 17 5.919 -4.732 -5.848 136 HB2 LEU 17 HB2 LEU 17 4.552 -3.145 -4.483 137 HB3 LEU 17 HB3 LEU 17 4.167 -4.419 -3.380 138 HG LEU 17 HG LEU 17 6.071 -2.514 -3.114 139 HD11 LEU 17 HD11 LEU 17 6.539 -3.322 -1.048 140 HD12 LEU 17 HD12 LEU 17 6.042 -4.987 -1.536 141 HD13 LEU 17 HD13 LEU 17 4.868 -3.649 -1.439 142 HD21 LEU 17 HD21 LEU 17 8.185 -2.965 -3.156 143 HD22 LEU 17 HD22 LEU 17 7.663 -3.755 -4.642 144 HD23 LEU 17 HD23 LEU 17 7.941 -4.699 -3.168 145 H THR 18 HN THR 18 7.684 -6.030 -5.139 146 HA THR 18 HA THR 18 6.935 -7.842 -2.956 147 HB THR 18 HB THR 18 9.032 -8.667 -4.966 148 HG1 THR 18 HG1 THR 18 6.431 -9.626 -5.360 149 HG21 THR 18 HG21 THR 18 7.257 -10.439 -3.276 150 HG22 THR 18 HG22 THR 18 8.940 -10.009 -2.917 151 HG23 THR 18 HG23 THR 18 8.564 -10.959 -4.359 152 H LEU 19 HN LEU 19 8.314 -8.130 -1.353 153 HA LEU 19 HA LEU 19 10.851 -6.566 -1.353 154 HB2 LEU 19 HB2 LEU 19 8.565 -6.580 0.686 155 HB3 LEU 19 HB3 LEU 19 10.166 -5.952 1.021 156 HG LEU 19 HG LEU 19 8.210 -4.845 -1.016 157 HD11 LEU 19 HD11 LEU 19 9.332 -3.758 1.605 158 HD12 LEU 19 HD12 LEU 19 7.651 -4.232 1.254 159 HD13 LEU 19 HD13 LEU 19 8.342 -2.830 0.456 160 HD21 LEU 19 HD21 LEU 19 11.026 -3.894 -0.394 161 HD22 LEU 19 HD22 LEU 19 9.792 -3.091 -1.422 162 HD23 LEU 19 HD23 LEU 19 10.489 -4.593 -1.934 163 H ARG 20 HN ARG 20 12.464 -7.969 -0.976 164 HA ARG 20 HA ARG 20 11.775 -10.479 0.410 165 HB2 ARG 20 HB2 ARG 20 13.393 -10.518 -1.496 166 HB3 ARG 20 HB3 ARG 20 14.571 -9.695 -0.441 167 HG2 ARG 20 HG2 ARG 20 14.143 -11.588 1.271 168 HG3 ARG 20 HG3 ARG 20 13.146 -12.356 0.041 169 HD2 ARG 20 HD2 ARG 20 15.249 -13.405 -0.039 170 HD3 ARG 20 HD3 ARG 20 15.157 -12.387 -1.476 171 HE ARG 20 HE ARG 20 16.590 -11.710 1.082 172 HH11 ARG 20 HH11 ARG 20 16.655 -11.762 -2.496 173 HH12 ARG 20 HH12 ARG 20 18.138 -10.849 -2.554 174 HH21 ARG 20 HH21 ARG 20 18.772 -10.957 0.860 175 HH22 ARG 20 HH22 ARG 20 19.337 -10.491 -0.726 176 H TYR 21 HN TYR 21 11.131 -9.791 2.423 177 HA TYR 21 HA TYR 21 12.630 -8.107 4.195 178 HB2 TYR 21 HB2 TYR 21 10.189 -8.477 4.279 179 HB3 TYR 21 HB3 TYR 21 10.466 -10.183 4.594 180 HD1 TYR 21 HD1 TYR 21 10.871 -6.730 6.026 181 HD2 TYR 21 HD2 TYR 21 10.941 -10.985 6.768 182 HE1 TYR 21 HE1 TYR 21 10.945 -6.263 8.396 183 HE2 TYR 21 HE2 TYR 21 10.941 -10.561 9.178 184 HH TYR 21 HH TYR 21 9.963 -8.839 10.550 185 H GLY 22 HN GLY 22 14.754 -8.833 4.256 186 HA2 GLY 22 HA2 GLY 22 16.517 -10.051 5.154 187 HA3 GLY 22 HA1 GLY 22 15.350 -11.085 5.985 188 H GLU 23 HN GLU 23 14.766 -12.988 5.060 189 HA GLU 23 HA GLU 23 15.838 -13.734 2.380 190 HB2 GLU 23 HB2 GLU 23 15.561 -15.479 4.840 191 HB3 GLU 23 HB3 GLU 23 16.231 -15.958 3.268 192 HG2 GLU 23 HG2 GLU 23 18.037 -14.323 3.618 193 HG3 GLU 23 HG3 GLU 23 17.410 -13.961 5.219 194 H ASP 24 HN ASP 24 13.000 -13.008 3.949 195 HA ASP 24 HA ASP 24 11.422 -15.233 2.743 196 HB2 ASP 24 HB2 ASP 24 11.046 -13.456 5.109 197 HB3 ASP 24 HB3 ASP 24 9.683 -13.516 4.028 198 H SER 25 HN SER 25 9.914 -14.625 1.149 199 HA SER 25 HA SER 25 10.137 -11.853 0.095 200 HB2 SER 25 HB2 SER 25 8.989 -13.469 -1.901 201 HB3 SER 25 HB3 SER 25 10.622 -12.814 -1.837 202 HG SER 25 HG SER 25 9.798 -15.390 -1.621 203 H TYR 26 HN TYR 26 8.474 -10.568 0.612 204 HA TYR 26 HA TYR 26 5.754 -11.751 0.769 205 HB2 TYR 26 HB2 TYR 26 6.789 -9.123 1.866 206 HB3 TYR 26 HB3 TYR 26 5.222 -9.865 2.184 207 HD1 TYR 26 HD2 TYR 26 6.446 -12.776 2.583 208 HD2 TYR 26 HD1 TYR 26 7.504 -8.915 4.129 209 HE1 TYR 26 HE2 TYR 26 7.363 -13.846 4.595 210 HE2 TYR 26 HE1 TYR 26 8.396 -9.973 6.173 211 HH TYR 26 HH TYR 26 8.201 -12.142 7.494 212 H ASP 27 HN ASP 27 4.158 -10.926 -0.471 213 HA ASP 27 HA ASP 27 4.893 -9.185 -2.775 214 HB2 ASP 27 HB2 ASP 27 3.377 -11.780 -2.544 215 HB3 ASP 27 HB3 ASP 27 2.849 -10.601 -3.721 216 H LEU 28 HN LEU 28 3.986 -7.256 -2.054 217 HA LEU 28 HA LEU 28 1.307 -7.334 -0.825 218 HB2 LEU 28 HB2 LEU 28 2.887 -4.839 -1.216 219 HB3 LEU 28 HB3 LEU 28 1.772 -5.235 0.063 220 HG LEU 28 HG LEU 28 4.650 -6.144 -0.332 221 HD11 LEU 28 HD11 LEU 28 3.395 -4.808 2.052 222 HD12 LEU 28 HD12 LEU 28 3.954 -3.866 0.663 223 HD13 LEU 28 HD13 LEU 28 5.112 -4.850 1.574 224 HD21 LEU 28 HD21 LEU 28 3.321 -8.091 0.716 225 HD22 LEU 28 HD22 LEU 28 3.108 -7.021 2.114 226 HD23 LEU 28 HD23 LEU 28 4.720 -7.484 1.577 227 HA PRO 29 HA PRO 29 -0.434 -5.920 -4.686 228 HB2 PRO 29 HB2 PRO 29 -2.891 -5.030 -3.888 229 HB3 PRO 29 HB3 PRO 29 -2.434 -6.756 -3.813 230 HG2 PRO 29 HG2 PRO 29 -2.424 -4.723 -1.621 231 HG3 PRO 29 HG3 PRO 29 -3.060 -6.383 -1.552 232 HD2 PRO 29 HD2 PRO 29 -0.521 -5.742 -0.604 233 HD3 PRO 29 HD3 PRO 29 -0.937 -7.331 -1.333 234 H ALA 30 HN ALA 30 -0.944 -3.890 -5.856 235 HA ALA 30 HA ALA 30 0.479 -1.650 -4.910 236 HB1 ALA 30 HB1 ALA 30 -0.588 -0.257 -6.604 237 HB2 ALA 30 HB2 ALA 30 -0.231 -1.826 -7.332 238 HB3 ALA 30 HB3 ALA 30 -1.898 -1.395 -6.821 239 H GLU 31 HN GLU 31 -2.991 -2.420 -4.647 240 HA GLU 31 HA GLU 31 -3.914 0.017 -3.710 241 HB2 GLU 31 HB2 GLU 31 -5.913 -0.992 -3.274 242 HB3 GLU 31 HB3 GLU 31 -5.221 -2.056 -4.501 243 HG2 GLU 31 HG2 GLU 31 -4.630 -3.636 -2.630 244 HG3 GLU 31 HG3 GLU 31 -5.445 -2.507 -1.525 245 H PHE 32 HN PHE 32 -2.564 -2.686 -1.813 246 HA PHE 32 HA PHE 32 -3.172 -1.743 0.786 247 HB2 PHE 32 HB2 PHE 32 -2.508 -3.992 0.442 248 HB3 PHE 32 HB3 PHE 32 -1.015 -3.508 -0.376 249 HD1 PHE 32 HD2 PHE 32 -2.639 -3.998 2.899 250 HD2 PHE 32 HD1 PHE 32 0.975 -2.931 0.808 251 HE1 PHE 32 HE2 PHE 32 -1.344 -4.327 4.957 252 HE2 PHE 32 HE1 PHE 32 2.256 -3.184 2.883 253 HZ PHE 32 HZ PHE 32 1.131 -3.930 4.969 254 H LEU 33 HN LEU 33 -0.218 -1.263 -1.211 255 HA LEU 33 HA LEU 33 1.169 0.409 0.688 256 HB2 LEU 33 HB2 LEU 33 1.359 0.320 -2.350 257 HB3 LEU 33 HB3 LEU 33 2.442 1.222 -1.305 258 HG LEU 33 HG LEU 33 2.225 -1.551 -0.382 259 HD11 LEU 33 HD11 LEU 33 3.476 -1.322 -3.120 260 HD12 LEU 33 HD12 LEU 33 1.787 -1.809 -2.891 261 HD13 LEU 33 HD13 LEU 33 3.047 -2.772 -2.164 262 HD21 LEU 33 HD21 LEU 33 4.626 0.025 -1.361 263 HD22 LEU 33 HD22 LEU 33 4.649 -1.465 -0.406 264 HD23 LEU 33 HD23 LEU 33 4.000 0.023 0.298 265 H ARG 34 HN ARG 34 -1.005 1.185 -2.078 266 HA ARG 34 HA ARG 34 -0.766 3.981 -1.786 267 HB2 ARG 34 HB2 ARG 34 -1.717 3.013 -3.806 268 HB3 ARG 34 HB3 ARG 34 -2.983 2.193 -2.903 269 HG2 ARG 34 HG2 ARG 34 -3.863 4.086 -4.147 270 HG3 ARG 34 HG3 ARG 34 -4.111 4.293 -2.406 271 HD2 ARG 34 HD2 ARG 34 -2.206 5.819 -2.288 272 HD3 ARG 34 HD3 ARG 34 -1.812 5.550 -3.999 273 HE ARG 34 HE ARG 34 -4.379 6.470 -4.078 274 HH11 ARG 34 HH11 ARG 34 -1.351 7.720 -2.718 275 HH12 ARG 34 HH12 ARG 34 -1.774 9.374 -2.903 276 HH21 ARG 34 HH21 ARG 34 -4.996 8.651 -4.292 277 HH22 ARG 34 HH22 ARG 34 -3.963 9.928 -3.808 278 H VAL 35 HN VAL 35 -3.284 1.831 -0.250 279 HA VAL 35 HA VAL 35 -4.537 4.136 0.976 280 HB VAL 35 HB VAL 35 -5.826 2.578 2.275 281 HG11 VAL 35 HG11 VAL 35 -5.505 1.756 -0.655 282 HG12 VAL 35 HG12 VAL 35 -6.943 1.515 0.351 283 HG13 VAL 35 HG13 VAL 35 -6.399 3.151 -0.057 284 HG21 VAL 35 HG21 VAL 35 -4.271 0.805 2.849 285 HG22 VAL 35 HG22 VAL 35 -5.654 0.136 1.987 286 HG23 VAL 35 HG23 VAL 35 -4.113 0.341 1.146 287 H HIS 36 HN HIS 36 -2.079 1.780 2.176 288 HA HIS 36 HA HIS 36 -1.783 3.385 4.599 289 HB2 HIS 36 HB2 HIS 36 -1.773 0.719 4.240 290 HB3 HIS 36 HB3 HIS 36 -0.056 0.992 4.073 291 HD1 HIS 36 HD1 HIS 36 -0.962 3.526 6.552 292 HD2 HIS 36 HD2 HIS 36 -0.882 -0.700 6.487 293 HE1 HIS 36 HE1 HIS 36 -0.974 2.765 8.958 294 H SER 37 HN SER 37 -1.145 4.976 2.461 295 HA SER 37 HA SER 37 1.824 5.098 2.569 296 HB2 SER 37 HB2 SER 37 1.396 4.667 0.387 297 HB3 SER 37 HB3 SER 37 -0.035 5.680 0.343 298 HG SER 37 HG SER 37 1.371 7.497 0.441 299 HA PRO 38 HA PRO 38 0.987 8.952 4.669 300 HB2 PRO 38 HB2 PRO 38 3.516 9.847 5.040 301 HB3 PRO 38 HB3 PRO 38 2.980 8.264 5.691 302 HG2 PRO 38 HG2 PRO 38 4.397 8.688 3.048 303 HG3 PRO 38 HG3 PRO 38 4.917 7.659 4.442 304 HD2 PRO 38 HD2 PRO 38 3.497 6.658 2.377 305 HD3 PRO 38 HD3 PRO 38 3.125 6.190 4.075 306 H SER 39 HN SER 39 1.456 11.345 4.625 307 HA SER 39 HA SER 39 1.255 12.358 1.911 308 HB2 SER 39 HB2 SER 39 0.286 14.234 3.544 309 HB3 SER 39 HB3 SER 39 -0.670 12.989 2.768 310 HG SER 39 HG SER 39 -1.050 12.106 4.626 311 H ALA 40 HN ALA 40 3.587 12.283 1.704 312 HA ALA 40 HA ALA 40 5.246 14.298 2.904 313 HB1 ALA 40 HB1 ALA 40 6.653 14.135 0.900 314 HB2 ALA 40 HB2 ALA 40 6.244 12.516 1.495 315 HB3 ALA 40 HB3 ALA 40 5.407 13.205 0.077 316 H GLU 41 HN GLU 41 2.851 14.407 0.403 317 HA GLU 41 HA GLU 41 3.835 16.804 -0.853 318 HB2 GLU 41 HB2 GLU 41 1.098 15.479 -1.133 319 HB3 GLU 41 HB3 GLU 41 1.886 16.471 -2.337 320 HG2 GLU 41 HG2 GLU 41 2.593 13.638 -1.512 321 HG3 GLU 41 HG3 GLU 41 1.986 14.190 -3.069 322 H VAL 42 HN VAL 42 2.800 16.714 1.903 323 HA VAL 42 HA VAL 42 0.705 18.842 1.893 324 HB VAL 42 HB VAL 42 0.839 16.410 3.721 325 HG11 VAL 42 HG11 VAL 42 -1.140 18.643 3.322 326 HG12 VAL 42 HG12 VAL 42 -1.571 17.132 4.158 327 HG13 VAL 42 HG13 VAL 42 -0.308 18.179 4.825 328 HG21 VAL 42 HG21 VAL 42 -1.175 15.643 2.397 329 HG22 VAL 42 HG22 VAL 42 -0.836 16.931 1.226 330 HG23 VAL 42 HG23 VAL 42 0.330 15.611 1.476 331 H GLN 43 HN GLN 43 3.709 17.693 3.283 332 HA GLN 43 HA GLN 43 5.209 18.747 4.609 333 HB2 GLN 43 HB2 GLN 43 3.675 21.277 3.988 334 HB3 GLN 43 HB3 GLN 43 5.399 21.102 4.249 335 HG2 GLN 43 HG2 GLN 43 5.745 20.053 2.125 336 HG3 GLN 43 HG3 GLN 43 4.041 19.742 1.854 337 HE21 GLN 43 HE21 GLN 43 2.692 22.085 2.261 338 HE22 GLN 43 HE22 GLN 43 3.239 23.233 1.092 339 H GLY 44 HN GLY 44 2.547 17.905 5.793 340 HA2 GLY 44 HA2 GLY 44 2.849 18.838 8.528 341 HA3 GLY 44 HA1 GLY 44 1.514 19.604 7.667 342 H HIS 45 HN HIS 45 1.886 16.434 6.437 343 HA HIS 45 HA HIS 45 0.555 14.626 6.501 344 HB2 HIS 45 HB2 HIS 45 1.182 15.008 9.447 345 HB3 HIS 45 HB3 HIS 45 0.268 13.629 8.869 346 HD1 HIS 45 HD1 HIS 45 2.163 12.035 9.706 347 HD2 HIS 45 HD2 HIS 45 3.085 14.607 6.492 348 HE1 HIS 45 HE1 HIS 45 4.296 11.137 8.647 349 H GLY 46 HN GLY 46 -1.449 13.702 8.262 350 HA2 GLY 46 HA2 GLY 46 -3.416 15.812 8.650 351 HA3 GLY 46 HA1 GLY 46 -3.878 14.427 7.623 352 H ASN 47 HN ASN 47 -5.405 13.822 9.275 353 HA ASN 47 HA ASN 47 -4.142 12.279 11.488 354 HB2 ASN 47 HB2 ASN 47 -5.907 12.581 12.781 355 HB3 ASN 47 HB3 ASN 47 -6.295 13.948 11.774 356 HD21 ASN 47 HD21 ASN 47 -7.678 12.940 9.549 357 HD22 ASN 47 HD22 ASN 47 -8.972 11.904 10.131 358 HA PRO 48 HA PRO 48 -4.875 8.731 8.940 359 HB2 PRO 48 HB2 PRO 48 -5.791 6.752 10.574 360 HB3 PRO 48 HB3 PRO 48 -4.153 7.437 10.742 361 HG2 PRO 48 HG2 PRO 48 -6.649 8.196 12.295 362 HG3 PRO 48 HG3 PRO 48 -5.046 7.745 12.951 363 HD2 PRO 48 HD2 PRO 48 -5.787 10.325 12.577 364 HD3 PRO 48 HD3 PRO 48 -4.093 9.816 12.288 365 H VAL 49 HN VAL 49 -6.500 8.017 7.558 366 HA VAL 49 HA VAL 49 -9.340 8.355 8.231 367 HB VAL 49 HB VAL 49 -7.930 9.744 5.908 368 HG11 VAL 49 HG11 VAL 49 -10.912 9.361 6.352 369 HG12 VAL 49 HG12 VAL 49 -10.227 10.556 5.250 370 HG13 VAL 49 HG13 VAL 49 -9.931 8.854 4.942 371 HG21 VAL 49 HG21 VAL 49 -9.637 10.856 8.170 372 HG22 VAL 49 HG22 VAL 49 -7.886 11.090 7.943 373 HG23 VAL 49 HG23 VAL 49 -9.029 11.796 6.803 374 H LEU 50 HN LEU 50 -10.638 6.965 6.943 375 HA LEU 50 HA LEU 50 -9.284 4.730 5.765 376 HB2 LEU 50 HB2 LEU 50 -11.469 4.557 6.976 377 HB3 LEU 50 HB3 LEU 50 -12.225 5.544 5.716 378 HG LEU 50 HG LEU 50 -11.678 3.793 4.020 379 HD11 LEU 50 HD11 LEU 50 -9.717 2.692 4.776 380 HD12 LEU 50 HD12 LEU 50 -10.983 1.490 5.071 381 HD13 LEU 50 HD13 LEU 50 -10.372 2.459 6.412 382 HD21 LEU 50 HD21 LEU 50 -13.086 2.652 6.453 383 HD22 LEU 50 HD22 LEU 50 -13.360 2.257 4.735 384 HD23 LEU 50 HD23 LEU 50 -13.786 3.852 5.339 385 H GLN 51 HN GLN 51 -8.223 4.938 4.043 386 HA GLN 51 HA GLN 51 -9.083 6.417 1.681 387 HB2 GLN 51 HB2 GLN 51 -6.715 4.634 2.397 388 HB3 GLN 51 HB3 GLN 51 -6.843 5.561 0.898 389 HG2 GLN 51 HG2 GLN 51 -7.000 6.901 3.656 390 HG3 GLN 51 HG3 GLN 51 -5.493 6.507 2.941 391 HE21 GLN 51 HE21 GLN 51 -5.474 8.972 3.315 392 HE22 GLN 51 HE22 GLN 51 -5.976 9.975 1.949 393 H TYR 52 HN TYR 52 -10.734 5.301 0.477 394 HA TYR 52 HA TYR 52 -10.513 2.349 0.175 395 HB2 TYR 52 HB2 TYR 52 -12.904 2.186 0.153 396 HB3 TYR 52 HB3 TYR 52 -12.438 2.931 1.631 397 HD1 TYR 52 HD2 TYR 52 -12.668 5.490 1.936 398 HD2 TYR 52 HD1 TYR 52 -14.341 3.364 -1.447 399 HE1 TYR 52 HE2 TYR 52 -14.076 7.427 1.381 400 HE2 TYR 52 HE1 TYR 52 -15.815 5.266 -1.921 401 HH TYR 52 HH TYR 52 -16.349 7.530 -1.351 402 H GLY 53 HN GLY 53 -12.150 1.825 -1.732 403 HA2 GLY 53 HA2 GLY 53 -12.672 2.031 -3.965 404 HA3 GLY 53 HA1 GLY 53 -12.076 3.688 -3.942 405 H LYS 54 HN LYS 54 -9.893 0.970 -3.038 406 HA LYS 54 HA LYS 54 -8.214 1.760 -5.379 407 HB2 LYS 54 HB2 LYS 54 -7.421 0.971 -2.563 408 HB3 LYS 54 HB3 LYS 54 -6.313 1.003 -3.921 409 HG2 LYS 54 HG2 LYS 54 -5.981 2.983 -2.734 410 HG3 LYS 54 HG3 LYS 54 -6.704 3.390 -4.295 411 HD2 LYS 54 HD2 LYS 54 -8.802 3.865 -3.310 412 HD3 LYS 54 HD3 LYS 54 -8.345 3.094 -1.774 413 HE2 LYS 54 HE2 LYS 54 -8.249 5.327 -1.236 414 HE3 LYS 54 HE3 LYS 54 -6.553 4.979 -1.627 415 HZ1 LYS 54 HZ1 LYS 54 -7.069 5.914 -3.872 416 HZ2 LYS 54 HZ2 LYS 54 -7.179 6.978 -2.641 417 HZ3 LYS 54 HZ3 LYS 54 -8.554 6.383 -3.296 418 H LEU 55 HN LEU 55 -10.290 -0.662 -4.833 419 HA LEU 55 HA LEU 55 -8.930 -3.021 -4.744 420 HB2 LEU 55 HB2 LEU 55 -11.440 -2.773 -4.864 421 HB3 LEU 55 HB3 LEU 55 -11.334 -2.543 -6.585 422 HG LEU 55 HG LEU 55 -10.342 -4.875 -6.770 423 HD11 LEU 55 HD11 LEU 55 -10.967 -5.002 -3.788 424 HD12 LEU 55 HD12 LEU 55 -9.356 -5.085 -4.487 425 HD13 LEU 55 HD13 LEU 55 -10.503 -6.380 -4.805 426 HD21 LEU 55 HD21 LEU 55 -13.027 -4.619 -5.358 427 HD22 LEU 55 HD22 LEU 55 -12.427 -6.096 -6.157 428 HD23 LEU 55 HD23 LEU 55 -12.706 -4.641 -7.103 429 H ASN 56 HN ASN 56 -9.088 -0.916 -7.574 430 HA ASN 56 HA ASN 56 -7.790 -3.039 -9.218 431 HB2 ASN 56 HB2 ASN 56 -9.525 -0.731 -10.152 432 HB3 ASN 56 HB3 ASN 56 -8.860 -2.041 -11.137 433 HD21 ASN 56 HD21 ASN 56 -11.578 -1.044 -9.443 434 HD22 ASN 56 HD22 ASN 56 -12.354 -2.541 -9.077 435 H VAL 57 HN VAL 57 -6.680 -0.660 -7.418 436 HA VAL 57 HA VAL 57 -5.245 1.078 -9.180 437 HB VAL 57 HB VAL 57 -4.572 -0.036 -6.411 438 HG11 VAL 57 HG11 VAL 57 -2.446 0.768 -7.469 439 HG12 VAL 57 HG12 VAL 57 -3.232 2.282 -7.912 440 HG13 VAL 57 HG13 VAL 57 -2.966 1.872 -6.197 441 HG21 VAL 57 HG21 VAL 57 -5.213 2.161 -5.647 442 HG22 VAL 57 HG22 VAL 57 -5.680 2.618 -7.328 443 HG23 VAL 57 HG23 VAL 57 -6.534 1.343 -6.496 444 H GLY 58 HN GLY 58 -3.261 0.936 -10.106 445 HA2 GLY 58 HA2 GLY 58 -1.854 -1.653 -9.868 446 HA3 GLY 58 HA1 GLY 58 -2.028 -0.894 -11.439 447 H LEU 59 HN LEU 59 0.410 -1.513 -9.907 448 HA LEU 59 HA LEU 59 1.515 1.059 -9.227 449 HB2 LEU 59 HB2 LEU 59 2.066 -1.626 -8.591 450 HB3 LEU 59 HB3 LEU 59 3.349 -1.217 -9.697 451 HG LEU 59 HG LEU 59 4.034 -0.774 -7.438 452 HD11 LEU 59 HD11 LEU 59 4.688 1.559 -7.550 453 HD12 LEU 59 HD12 LEU 59 3.601 1.820 -8.902 454 HD13 LEU 59 HD13 LEU 59 4.958 0.691 -9.083 455 HD21 LEU 59 HD21 LEU 59 2.923 0.697 -5.913 456 HD22 LEU 59 HD22 LEU 59 1.812 -0.567 -6.491 457 HD23 LEU 59 HD23 LEU 59 1.679 1.092 -7.113 458 H VAL 60 HN VAL 60 2.419 2.378 -10.583 459 HA VAL 60 HA VAL 60 2.919 1.651 -13.399 460 HB VAL 60 HB VAL 60 3.248 4.311 -13.350 461 HG11 VAL 60 HG11 VAL 60 1.496 3.136 -14.624 462 HG12 VAL 60 HG12 VAL 60 0.565 2.871 -13.143 463 HG13 VAL 60 HG13 VAL 60 0.781 4.519 -13.781 464 HG21 VAL 60 HG21 VAL 60 3.038 4.445 -10.868 465 HG22 VAL 60 HG22 VAL 60 1.909 5.476 -11.763 466 HG23 VAL 60 HG23 VAL 60 1.335 3.966 -11.034 467 H GLY 61 HN GLY 61 4.667 2.768 -10.503 468 HA2 GLY 61 HA2 GLY 61 7.116 1.705 -11.413 469 HA3 GLY 61 HA1 GLY 61 7.072 3.427 -11.789 470 H VAL 62 HN VAL 62 8.954 2.530 -10.119 471 HA VAL 62 HA VAL 62 8.373 3.703 -7.483 472 HB VAL 62 HB VAL 62 9.322 0.842 -7.992 473 HG11 VAL 62 HG11 VAL 62 10.668 1.675 -6.242 474 HG12 VAL 62 HG12 VAL 62 9.247 2.322 -5.372 475 HG13 VAL 62 HG13 VAL 62 9.482 0.565 -5.570 476 HG21 VAL 62 HG21 VAL 62 7.400 0.282 -6.418 477 HG22 VAL 62 HG22 VAL 62 6.826 1.936 -6.742 478 HG23 VAL 62 HG23 VAL 62 6.998 0.750 -8.062 479 H GLU 63 HN GLU 63 10.286 4.716 -6.823 480 HA GLU 63 HA GLU 63 12.850 3.930 -7.956 481 HB2 GLU 63 HB2 GLU 63 11.842 6.760 -8.456 482 HB3 GLU 63 HB3 GLU 63 13.481 6.209 -8.703 483 HG2 GLU 63 HG2 GLU 63 12.511 4.422 -10.282 484 HG3 GLU 63 HG3 GLU 63 11.021 5.381 -10.263 485 HA PRO 64 HA PRO 64 14.010 5.050 -3.876 486 HB2 PRO 64 HB2 PRO 64 16.633 5.917 -4.205 487 HB3 PRO 64 HB3 PRO 64 16.080 4.222 -4.106 488 HG2 PRO 64 HG2 PRO 64 16.723 5.847 -6.563 489 HG3 PRO 64 HG3 PRO 64 17.078 4.125 -6.228 490 HD2 PRO 64 HD2 PRO 64 14.968 4.930 -7.789 491 HD3 PRO 64 HD3 PRO 64 14.893 3.464 -6.762 492 H ALA 65 HN ALA 65 14.541 6.802 -2.458 493 HA ALA 65 HA ALA 65 14.155 9.526 -3.604 494 HB1 ALA 65 HB1 ALA 65 12.771 10.038 -1.659 495 HB2 ALA 65 HB2 ALA 65 12.091 8.643 -2.527 496 HB3 ALA 65 HB3 ALA 65 12.995 8.396 -1.022 497 H GLY 66 HN GLY 66 16.637 8.259 -3.291 498 HA2 GLY 66 HA2 GLY 66 18.616 9.473 -2.561 499 HA3 GLY 66 HA1 GLY 66 17.893 9.591 -0.951 500 H GLN 67 HN GLN 67 18.787 8.149 0.374 501 HA GLN 67 HA GLN 67 19.785 5.525 -0.654 502 HB2 GLN 67 HB2 GLN 67 21.316 7.521 1.060 503 HB3 GLN 67 HB3 GLN 67 21.910 5.950 0.506 504 HG2 GLN 67 HG2 GLN 67 21.737 6.724 -1.853 505 HG3 GLN 67 HG3 GLN 67 21.128 8.287 -1.294 506 HE21 GLN 67 HE21 GLN 67 22.541 9.887 -1.213 507 HE22 GLN 67 HE22 GLN 67 24.287 9.723 -1.095 508 H TYR 68 HN TYR 68 17.679 6.898 1.393 509 HA TYR 68 HA TYR 68 17.773 4.707 3.373 510 HB2 TYR 68 HB2 TYR 68 17.184 6.496 5.141 511 HB3 TYR 68 HB3 TYR 68 18.839 6.257 4.689 512 HD1 TYR 68 HD1 TYR 68 19.926 7.837 2.982 513 HD2 TYR 68 HD2 TYR 68 16.223 8.702 5.015 514 HE1 TYR 68 HE1 TYR 68 20.073 10.134 2.196 515 HE2 TYR 68 HE2 TYR 68 16.477 11.107 4.440 516 HH TYR 68 HH TYR 68 18.273 12.750 3.542 517 H ALA 69 HN ALA 69 16.030 6.117 0.971 518 HA ALA 69 HA ALA 69 13.516 5.338 2.129 519 HB1 ALA 69 HB1 ALA 69 13.951 8.207 1.147 520 HB2 ALA 69 HB2 ALA 69 12.428 7.534 1.746 521 HB3 ALA 69 HB3 ALA 69 13.797 7.766 2.858 522 H LEU 70 HN LEU 70 11.817 5.286 0.649 523 HA LEU 70 HA LEU 70 12.664 5.091 -2.174 524 HB2 LEU 70 HB2 LEU 70 12.079 2.974 -0.902 525 HB3 LEU 70 HB3 LEU 70 10.457 3.634 -0.698 526 HG LEU 70 HG LEU 70 9.982 3.451 -3.046 527 HD11 LEU 70 HD11 LEU 70 12.947 2.778 -3.328 528 HD12 LEU 70 HD12 LEU 70 12.053 4.155 -4.002 529 HD13 LEU 70 HD13 LEU 70 11.754 2.556 -4.626 530 HD21 LEU 70 HD21 LEU 70 10.192 1.101 -3.495 531 HD22 LEU 70 HD22 LEU 70 9.856 1.300 -1.795 532 HD23 LEU 70 HD23 LEU 70 11.524 0.943 -2.346 533 H LYS 71 HN LYS 71 10.877 5.528 -3.739 534 HA LYS 71 HA LYS 71 8.637 7.222 -2.837 535 HB2 LYS 71 HB2 LYS 71 10.778 8.029 -4.434 536 HB3 LYS 71 HB3 LYS 71 9.751 7.311 -5.626 537 HG2 LYS 71 HG2 LYS 71 9.059 9.440 -5.763 538 HG3 LYS 71 HG3 LYS 71 7.866 8.870 -4.600 539 HD2 LYS 71 HD2 LYS 71 8.747 10.164 -2.913 540 HD3 LYS 71 HD3 LYS 71 10.413 9.879 -3.376 541 HE2 LYS 71 HE2 LYS 71 8.559 11.682 -4.986 542 HE3 LYS 71 HE3 LYS 71 9.528 12.285 -3.631 543 HZ1 LYS 71 HZ1 LYS 71 10.583 12.550 -5.818 544 HZ2 LYS 71 HZ2 LYS 71 10.703 10.919 -5.977 545 HZ3 LYS 71 HZ3 LYS 71 11.506 11.692 -4.767 546 H LEU 72 HN LEU 72 6.673 6.257 -3.544 547 HA LEU 72 HA LEU 72 6.819 4.106 -5.602 548 HB2 LEU 72 HB2 LEU 72 5.134 4.188 -3.036 549 HB3 LEU 72 HB3 LEU 72 4.652 3.301 -4.481 550 HG LEU 72 HG LEU 72 7.401 2.643 -3.971 551 HD11 LEU 72 HD11 LEU 72 7.287 1.589 -1.800 552 HD12 LEU 72 HD12 LEU 72 5.687 2.332 -1.513 553 HD13 LEU 72 HD13 LEU 72 7.142 3.352 -1.703 554 HD21 LEU 72 HD21 LEU 72 5.656 1.188 -5.079 555 HD22 LEU 72 HD22 LEU 72 4.908 0.941 -3.501 556 HD23 LEU 72 HD23 LEU 72 6.565 0.354 -3.820 557 H SER 73 HN SER 73 5.275 4.299 -7.241 558 HA SER 73 HA SER 73 3.495 6.680 -7.199 559 HB2 SER 73 HB2 SER 73 4.699 5.162 -9.560 560 HB3 SER 73 HB3 SER 73 3.572 6.485 -9.699 561 HG SER 73 HG SER 73 5.337 7.569 -8.269 562 H PHE 74 HN PHE 74 1.368 6.161 -8.286 563 HA PHE 74 HA PHE 74 0.540 3.340 -8.261 564 HB2 PHE 74 HB2 PHE 74 -1.118 5.110 -6.504 565 HB3 PHE 74 HB3 PHE 74 -0.795 3.397 -6.378 566 HD1 PHE 74 HD1 PHE 74 0.552 6.788 -5.743 567 HD2 PHE 74 HD2 PHE 74 1.051 2.590 -4.842 568 HE1 PHE 74 HE1 PHE 74 2.247 7.342 -4.013 569 HE2 PHE 74 HE2 PHE 74 2.559 3.173 -2.990 570 HZ PHE 74 HZ PHE 74 3.209 5.548 -2.596 571 H ASP 75 HN ASP 75 -1.017 3.231 -9.940 572 HA ASP 75 HA ASP 75 -1.514 5.564 -11.470 573 HB2 ASP 75 HB2 ASP 75 -2.608 4.239 -12.974 574 HB3 ASP 75 HB3 ASP 75 -1.480 3.121 -12.235 575 H ASP 76 HN ASP 76 -2.955 4.558 -8.678 576 HA ASP 76 HA ASP 76 -5.630 5.386 -8.740 577 HB2 ASP 76 HB2 ASP 76 -4.240 4.141 -6.917 578 HB3 ASP 76 HB3 ASP 76 -3.700 5.717 -6.408 579 H GLY 77 HN GLY 77 -2.703 7.341 -8.663 580 HA2 GLY 77 HA2 GLY 77 -2.838 9.637 -9.267 581 HA3 GLY 77 HA1 GLY 77 -4.352 9.814 -8.373 582 H HIS 78 HN HIS 78 -2.778 11.679 -7.771 583 HA HIS 78 HA HIS 78 -1.699 12.871 -6.355 584 HB2 HIS 78 HB2 HIS 78 -3.038 11.571 -4.637 585 HB3 HIS 78 HB3 HIS 78 -1.592 10.591 -4.418 586 HD1 HIS 78 HD1 HIS 78 -0.085 11.534 -2.370 587 HD2 HIS 78 HD2 HIS 78 -2.634 14.343 -4.243 588 HE1 HIS 78 HE1 HIS 78 -0.076 13.589 -0.925 589 H ASP 79 HN ASP 79 -0.479 9.701 -6.490 590 HA ASP 79 HA ASP 79 1.566 8.675 -6.451 591 HB2 ASP 79 HB2 ASP 79 2.152 11.017 -8.238 592 HB3 ASP 79 HB3 ASP 79 3.448 9.921 -7.783 593 H SER 80 HN SER 80 4.209 9.464 -6.047 594 HA SER 80 HA SER 80 5.536 9.794 -4.221 595 HB2 SER 80 HB2 SER 80 4.270 12.507 -4.631 596 HB3 SER 80 HB3 SER 80 5.847 12.158 -3.871 597 HG SER 80 HG SER 80 6.348 12.544 -5.930 598 H GLY 81 HN GLY 81 4.870 11.875 -2.073 599 HA2 GLY 81 HA2 GLY 81 4.518 11.278 0.202 600 HA3 GLY 81 HA1 GLY 81 4.046 9.644 -0.247 601 H LEU 82 HN LEU 82 6.026 9.801 1.637 602 HA LEU 82 HA LEU 82 8.502 8.973 0.205 603 HB2 LEU 82 HB2 LEU 82 8.609 11.220 1.507 604 HB3 LEU 82 HB3 LEU 82 8.273 10.283 2.950 605 HG LEU 82 HG LEU 82 10.376 8.925 2.493 606 HD11 LEU 82 HD11 LEU 82 12.077 10.000 1.005 607 HD12 LEU 82 HD12 LEU 82 10.832 11.117 0.416 608 HD13 LEU 82 HD13 LEU 82 10.691 9.376 0.101 609 HD21 LEU 82 HD21 LEU 82 10.658 11.923 2.929 610 HD22 LEU 82 HD22 LEU 82 11.883 10.693 3.326 611 HD23 LEU 82 HD23 LEU 82 10.329 10.693 4.167 612 H PHE 83 HN PHE 83 9.395 7.029 1.128 613 HA PHE 83 HA PHE 83 7.592 5.740 3.141 614 HB2 PHE 83 HB2 PHE 83 8.434 4.996 0.455 615 HB3 PHE 83 HB3 PHE 83 8.898 3.780 1.614 616 HD1 PHE 83 HD2 PHE 83 7.102 2.852 3.225 617 HD2 PHE 83 HD1 PHE 83 6.104 5.287 -0.195 618 HE1 PHE 83 HE2 PHE 83 4.824 1.944 3.263 619 HE2 PHE 83 HE1 PHE 83 3.713 4.569 0.163 620 HZ PHE 83 HZ PHE 83 3.092 2.868 1.621 621 H THR 84 HN THR 84 10.820 6.819 3.010 622 HA THR 84 HA THR 84 12.781 6.048 3.893 623 HB THR 84 HB THR 84 11.017 5.311 6.220 624 HG1 THR 84 HG1 THR 84 11.482 7.609 6.651 625 HG21 THR 84 HG21 THR 84 13.387 4.745 6.706 626 HG22 THR 84 HG22 THR 84 12.959 6.234 7.523 627 HG23 THR 84 HG23 THR 84 13.922 6.302 6.035 628 H TRP 85 HN TRP 85 13.640 3.702 5.286 629 HA TRP 85 HA TRP 85 12.578 1.490 3.580 630 HB2 TRP 85 HB2 TRP 85 15.159 1.795 5.169 631 HB3 TRP 85 HB3 TRP 85 14.663 0.344 4.325 632 HD1 TRP 85 HD1 TRP 85 17.123 2.618 3.859 633 HE1 TRP 85 HE1 TRP 85 17.773 2.965 1.332 634 HE3 TRP 85 HE3 TRP 85 12.936 0.736 1.636 635 HZ2 TRP 85 HZ2 TRP 85 16.576 2.540 -1.231 636 HZ3 TRP 85 HZ3 TRP 85 12.839 0.519 -0.798 637 HH2 TRP 85 HH2 TRP 85 14.623 1.325 -2.254 638 H ASP 86 HN ASP 86 12.926 2.465 6.944 639 HA ASP 86 HA ASP 86 12.463 0.020 8.263 640 HB2 ASP 86 HB2 ASP 86 12.081 2.938 8.905 641 HB3 ASP 86 HB3 ASP 86 11.201 1.793 9.898 642 H TYR 87 HN TYR 87 10.077 2.500 7.333 643 HA TYR 87 HA TYR 87 7.751 1.200 8.189 644 HB2 TYR 87 HB2 TYR 87 8.023 3.599 7.584 645 HB3 TYR 87 HB3 TYR 87 8.201 3.135 5.907 646 HD1 TYR 87 HD2 TYR 87 5.646 1.932 8.430 647 HD2 TYR 87 HD1 TYR 87 6.418 4.205 4.839 648 HE1 TYR 87 HE2 TYR 87 3.257 2.295 8.138 649 HE2 TYR 87 HE1 TYR 87 4.004 4.275 4.309 650 HH TYR 87 HH TYR 87 1.800 3.382 5.176 651 H LEU 88 HN LEU 88 9.330 1.117 4.960 652 HA LEU 88 HA LEU 88 7.297 -0.287 3.642 653 HB2 LEU 88 HB2 LEU 88 10.272 -0.101 3.135 654 HB3 LEU 88 HB3 LEU 88 9.275 -1.173 2.145 655 HG LEU 88 HG LEU 88 8.675 1.748 2.549 656 HD11 LEU 88 HD11 LEU 88 9.520 2.051 0.273 657 HD12 LEU 88 HD12 LEU 88 10.182 0.412 0.323 658 HD13 LEU 88 HD13 LEU 88 10.775 1.645 1.453 659 HD21 LEU 88 HD21 LEU 88 7.235 1.504 0.517 660 HD22 LEU 88 HD22 LEU 88 6.684 0.417 1.755 661 HD23 LEU 88 HD23 LEU 88 7.658 -0.222 0.419 662 H TYR 89 HN TYR 89 10.228 -1.683 5.211 663 HA TYR 89 HA TYR 89 9.376 -4.386 4.554 664 HB2 TYR 89 HB2 TYR 89 11.632 -3.050 5.977 665 HB3 TYR 89 HB3 TYR 89 11.294 -4.701 6.389 666 HD1 TYR 89 HD1 TYR 89 10.596 -6.211 3.951 667 HD2 TYR 89 HD2 TYR 89 13.229 -2.797 4.302 668 HE1 TYR 89 HE1 TYR 89 11.842 -6.967 2.053 669 HE2 TYR 89 HE2 TYR 89 14.607 -3.712 2.419 670 HH TYR 89 HH TYR 89 14.166 -7.021 1.346 671 H GLU 90 HN GLU 90 8.692 -2.186 7.270 672 HA GLU 90 HA GLU 90 7.848 -4.385 8.937 673 HB2 GLU 90 HB2 GLU 90 8.334 -1.868 9.630 674 HB3 GLU 90 HB3 GLU 90 6.665 -1.619 9.163 675 HG2 GLU 90 HG2 GLU 90 6.467 -3.944 10.695 676 HG3 GLU 90 HG3 GLU 90 7.860 -3.199 11.434 677 H LEU 91 HN LEU 91 6.084 -2.042 6.772 678 HA LEU 91 HA LEU 91 3.532 -3.242 6.964 679 HB2 LEU 91 HB2 LEU 91 4.807 -2.037 4.482 680 HB3 LEU 91 HB3 LEU 91 3.116 -2.451 4.682 681 HG LEU 91 HG LEU 91 4.563 -0.154 5.998 682 HD11 LEU 91 HD11 LEU 91 2.172 -0.322 4.097 683 HD12 LEU 91 HD12 LEU 91 3.837 -0.006 3.582 684 HD13 LEU 91 HD13 LEU 91 2.990 1.145 4.635 685 HD21 LEU 91 HD21 LEU 91 1.678 -1.039 6.384 686 HD22 LEU 91 HD22 LEU 91 2.344 0.485 6.932 687 HD23 LEU 91 HD23 LEU 91 2.939 -1.017 7.652 688 H ALA 92 HN ALA 92 6.309 -4.207 4.948 689 HA ALA 92 HA ALA 92 5.093 -6.164 3.317 690 HB1 ALA 92 HB1 ALA 92 7.480 -5.274 3.207 691 HB2 ALA 92 HB2 ALA 92 7.889 -6.427 4.489 692 HB3 ALA 92 HB3 ALA 92 7.271 -7.005 2.932 693 H THR 93 HN THR 93 6.626 -6.678 6.588 694 HA THR 93 HA THR 93 5.707 -9.432 6.655 695 HB THR 93 HB THR 93 7.726 -8.934 7.790 696 HG1 THR 93 HG1 THR 93 7.329 -9.879 9.673 697 HG21 THR 93 HG21 THR 93 7.479 -6.633 8.366 698 HG22 THR 93 HG22 THR 93 7.903 -7.577 9.793 699 HG23 THR 93 HG23 THR 93 6.227 -7.012 9.568 700 H ARG 94 HN ARG 94 4.484 -6.322 7.941 701 HA ARG 94 HA ARG 94 2.554 -7.577 9.669 702 HB2 ARG 94 HB2 ARG 94 2.969 -4.726 8.730 703 HB3 ARG 94 HB3 ARG 94 1.737 -5.206 9.884 704 HG2 ARG 94 HG2 ARG 94 4.321 -6.249 10.738 705 HG3 ARG 94 HG3 ARG 94 4.403 -4.526 10.398 706 HD2 ARG 94 HD2 ARG 94 3.865 -4.771 12.696 707 HD3 ARG 94 HD3 ARG 94 2.428 -4.144 11.881 708 HE ARG 94 HE ARG 94 2.340 -7.019 12.027 709 HH11 ARG 94 HH11 ARG 94 1.998 -4.157 14.106 710 HH12 ARG 94 HH12 ARG 94 1.181 -4.976 15.370 711 HH21 ARG 94 HH21 ARG 94 1.060 -8.087 13.631 712 HH22 ARG 94 HH22 ARG 94 0.453 -7.198 14.985 713 H LYS 95 HN LYS 95 2.531 -7.112 6.292 714 HA LYS 95 HA LYS 95 0.200 -6.027 5.663 715 HB2 LYS 95 HB2 LYS 95 1.755 -6.765 3.960 716 HB3 LYS 95 HB3 LYS 95 1.427 -8.470 4.322 717 HG2 LYS 95 HG2 LYS 95 -0.935 -8.174 3.588 718 HG3 LYS 95 HG3 LYS 95 -0.575 -6.513 3.146 719 HD2 LYS 95 HD2 LYS 95 0.350 -7.170 1.181 720 HD3 LYS 95 HD3 LYS 95 1.385 -8.343 2.003 721 HE2 LYS 95 HE2 LYS 95 -1.031 -9.598 2.198 722 HE3 LYS 95 HE3 LYS 95 -1.209 -8.771 0.655 723 HZ1 LYS 95 HZ1 LYS 95 0.866 -9.918 -0.053 724 HZ2 LYS 95 HZ2 LYS 95 -0.241 -11.016 0.524 725 HZ3 LYS 95 HZ3 LYS 95 0.985 -10.563 1.476 726 H ASP 96 HN ASP 96 0.554 -9.434 6.490 727 HA ASP 96 HA ASP 96 -1.943 -10.492 5.983 728 HB2 ASP 96 HB2 ASP 96 0.139 -11.656 6.863 729 HB3 ASP 96 HB3 ASP 96 -0.239 -11.023 8.462 730 H GLN 97 HN GLN 97 -0.953 -8.743 8.894 731 HA GLN 97 HA GLN 97 -3.533 -8.921 10.214 732 HB2 GLN 97 HB2 GLN 97 -1.501 -9.058 11.497 733 HB3 GLN 97 HB3 GLN 97 -0.859 -7.576 10.807 734 HG2 GLN 97 HG2 GLN 97 -1.682 -7.360 13.157 735 HG3 GLN 97 HG3 GLN 97 -2.343 -6.208 12.012 736 HE21 GLN 97 HE21 GLN 97 -4.350 -5.753 12.852 737 HE22 GLN 97 HE22 GLN 97 -5.620 -6.951 13.071 738 H LEU 98 HN LEU 98 -1.525 -6.271 8.776 739 HA LEU 98 HA LEU 98 -3.234 -4.092 9.185 740 HB2 LEU 98 HB2 LEU 98 -1.170 -4.901 7.136 741 HB3 LEU 98 HB3 LEU 98 -2.087 -3.436 6.882 742 HG LEU 98 HG LEU 98 -1.090 -2.258 8.549 743 HD11 LEU 98 HD11 LEU 98 -0.395 -4.860 9.933 744 HD12 LEU 98 HD12 LEU 98 -1.439 -3.539 10.481 745 HD13 LEU 98 HD13 LEU 98 0.308 -3.288 10.370 746 HD21 LEU 98 HD21 LEU 98 1.320 -2.634 8.315 747 HD22 LEU 98 HD22 LEU 98 0.448 -2.779 6.778 748 HD23 LEU 98 HD23 LEU 98 1.003 -4.235 7.609 749 H TRP 99 HN TRP 99 -3.225 -6.502 6.571 750 HA TRP 99 HA TRP 99 -5.208 -5.103 5.029 751 HB2 TRP 99 HB2 TRP 99 -3.541 -6.744 4.115 752 HB3 TRP 99 HB3 TRP 99 -4.441 -8.047 4.903 753 HD1 TRP 99 HD1 TRP 99 -6.019 -9.188 3.278 754 HE1 TRP 99 HE1 TRP 99 -7.304 -8.565 1.157 755 HE3 TRP 99 HE3 TRP 99 -4.909 -4.182 3.106 756 HZ2 TRP 99 HZ2 TRP 99 -7.984 -6.124 -0.285 757 HZ3 TRP 99 HZ3 TRP 99 -5.936 -2.730 1.405 758 HH2 TRP 99 HH2 TRP 99 -7.521 -3.702 -0.264 759 H ALA 100 HN ALA 100 -5.384 -7.866 7.346 760 HA ALA 100 HA ALA 100 -8.208 -8.218 7.131 761 HB1 ALA 100 HB1 ALA 100 -6.621 -9.774 8.330 762 HB2 ALA 100 HB2 ALA 100 -6.436 -8.565 9.613 763 HB3 ALA 100 HB3 ALA 100 -8.019 -9.305 9.326 764 H ASP 101 HN ASP 101 -6.194 -5.959 8.963 765 HA ASP 101 HA ASP 101 -8.180 -4.727 10.564 766 HB2 ASP 101 HB2 ASP 101 -5.564 -4.650 10.623 767 HB3 ASP 101 HB3 ASP 101 -5.737 -3.265 9.547 768 H TYR 102 HN TYR 102 -6.705 -3.561 7.469 769 HA TYR 102 HA TYR 102 -8.507 -1.449 7.092 770 HB2 TYR 102 HB2 TYR 102 -6.458 -2.828 5.444 771 HB3 TYR 102 HB3 TYR 102 -7.730 -2.071 4.523 772 HD1 TYR 102 HD1 TYR 102 -8.459 0.387 5.509 773 HD2 TYR 102 HD2 TYR 102 -4.582 -1.458 5.922 774 HE1 TYR 102 HE1 TYR 102 -7.434 2.624 5.872 775 HE2 TYR 102 HE2 TYR 102 -3.561 0.766 6.266 776 HH TYR 102 HH TYR 102 -4.632 3.079 7.270 777 H LEU 103 HN LEU 103 -8.948 -4.865 6.209 778 HA LEU 103 HA LEU 103 -11.228 -4.387 4.491 779 HB2 LEU 103 HB2 LEU 103 -10.424 -6.808 6.147 780 HB3 LEU 103 HB3 LEU 103 -11.858 -6.752 5.114 781 HG LEU 103 HG LEU 103 -9.009 -6.198 4.092 782 HD11 LEU 103 HD11 LEU 103 -10.484 -8.859 4.075 783 HD12 LEU 103 HD12 LEU 103 -9.014 -8.456 4.988 784 HD13 LEU 103 HD13 LEU 103 -8.965 -8.491 3.225 785 HD21 LEU 103 HD21 LEU 103 -10.716 -5.369 2.594 786 HD22 LEU 103 HD22 LEU 103 -11.494 -6.959 2.545 787 HD23 LEU 103 HD23 LEU 103 -9.839 -6.746 1.914 788 H ALA 104 HN ALA 104 -10.884 -5.059 7.996 789 HA ALA 104 HA ALA 104 -13.706 -5.173 8.533 790 HB1 ALA 104 HB1 ALA 104 -12.029 -6.073 10.067 791 HB2 ALA 104 HB2 ALA 104 -11.378 -4.432 10.341 792 HB3 ALA 104 HB3 ALA 104 -13.021 -4.833 10.872 793 H GLU 105 HN GLU 105 -11.287 -2.516 8.578 794 HA GLU 105 HA GLU 105 -12.990 -0.398 9.296 795 HB2 GLU 105 HB2 GLU 105 -10.366 -0.845 7.984 796 HB3 GLU 105 HB3 GLU 105 -11.139 0.625 7.448 797 HG2 GLU 105 HG2 GLU 105 -11.097 0.082 10.416 798 HG3 GLU 105 HG3 GLU 105 -9.582 0.476 9.615 799 H LEU 106 HN LEU 106 -12.157 -1.539 5.963 800 HA LEU 106 HA LEU 106 -13.812 0.249 4.608 801 HB2 LEU 106 HB2 LEU 106 -12.244 -2.069 3.939 802 HB3 LEU 106 HB3 LEU 106 -13.828 -2.398 3.323 803 HG LEU 106 HG LEU 106 -12.594 -1.390 1.545 804 HD11 LEU 106 HD11 LEU 106 -14.372 0.763 2.706 805 HD12 LEU 106 HD12 LEU 106 -14.952 -0.684 1.878 806 HD13 LEU 106 HD13 LEU 106 -13.958 0.513 1.015 807 HD21 LEU 106 HD21 LEU 106 -10.889 -0.253 3.088 808 HD22 LEU 106 HD22 LEU 106 -12.044 1.092 3.174 809 HD23 LEU 106 HD23 LEU 106 -11.363 0.596 1.612 810 H ALA 107 HN ALA 107 -14.585 -2.853 5.959 811 HA ALA 107 HA ALA 107 -17.246 -3.121 4.941 812 HB1 ALA 107 HB1 ALA 107 -15.950 -4.353 7.428 813 HB2 ALA 107 HB2 ALA 107 -17.363 -4.958 6.548 814 HB3 ALA 107 HB3 ALA 107 -15.743 -4.980 5.789 815 H SER 108 HN SER 108 -15.923 -1.988 8.081 816 HA SER 108 HA SER 108 -18.380 -1.389 9.323 817 HB2 SER 108 HB2 SER 108 -16.145 -1.808 10.390 818 HB3 SER 108 HB3 SER 108 -15.617 -0.204 9.844 819 HG SER 108 HG SER 108 -16.885 -0.862 12.031 820 H ALA 109 HN ALA 109 -16.184 0.716 7.379 821 HA ALA 109 HA ALA 109 -17.740 3.105 7.841 822 HB1 ALA 109 HB1 ALA 109 -15.847 2.380 5.569 823 HB2 ALA 109 HB2 ALA 109 -16.432 4.012 5.947 824 HB3 ALA 109 HB3 ALA 109 -15.398 3.159 7.109 825 H GLY 110 HN GLY 110 -18.429 0.296 5.959 826 HA2 GLY 110 HA2 GLY 110 -20.018 -0.193 4.408 827 HA3 GLY 110 HA1 GLY 110 -20.847 1.309 4.852 828 H LYS 111 HN LYS 111 -17.515 1.051 3.547 829 HA LYS 111 HA LYS 111 -18.451 2.339 1.011 830 HB2 LYS 111 HB2 LYS 111 -15.640 2.313 2.177 831 HB3 LYS 111 HB3 LYS 111 -16.121 3.017 0.645 832 HG2 LYS 111 HG2 LYS 111 -16.947 3.988 3.401 833 HG3 LYS 111 HG3 LYS 111 -15.717 4.673 2.332 834 HD2 LYS 111 HD2 LYS 111 -17.558 5.011 0.588 835 HD3 LYS 111 HD3 LYS 111 -18.705 4.580 1.882 836 HE2 LYS 111 HE2 LYS 111 -17.523 6.377 3.295 837 HE3 LYS 111 HE3 LYS 111 -16.698 6.877 1.834 838 HZ1 LYS 111 HZ1 LYS 111 -18.652 8.187 2.231 839 HZ2 LYS 111 HZ2 LYS 111 -19.624 6.898 2.317 840 HZ3 LYS 111 HZ3 LYS 111 -18.970 7.292 0.865 841 H SER 112 HN SER 112 -16.276 1.467 -0.600 842 HA SER 112 HA SER 112 -15.916 -1.386 -0.055 843 HB2 SER 112 HB2 SER 112 -17.416 -0.236 -2.378 844 HB3 SER 112 HB3 SER 112 -16.507 -1.757 -2.562 845 HG SER 112 HG SER 112 -18.276 -1.303 -0.393 846 H ARG 113 HN ARG 113 -14.295 -2.374 -1.196 847 HA ARG 113 HA ARG 113 -12.001 -0.712 -1.740 848 HB2 ARG 113 HB2 ARG 113 -12.563 -3.556 -2.650 849 HB3 ARG 113 HB3 ARG 113 -10.998 -2.731 -2.708 850 HG2 ARG 113 HG2 ARG 113 -11.178 -2.386 -0.207 851 HG3 ARG 113 HG3 ARG 113 -12.464 -3.598 -0.209 852 HD2 ARG 113 HD2 ARG 113 -10.012 -4.394 -1.761 853 HD3 ARG 113 HD3 ARG 113 -9.722 -4.035 -0.075 854 HE ARG 113 HE ARG 113 -10.516 -5.940 0.492 855 HH11 ARG 113 HH11 ARG 113 -12.330 -5.243 -2.455 856 HH12 ARG 113 HH12 ARG 113 -13.471 -6.519 -2.183 857 HH21 ARG 113 HH21 ARG 113 -11.526 -8.023 0.361 858 HH22 ARG 113 HH22 ARG 113 -12.770 -8.324 -0.797 859 H ASP 114 HN ASP 114 -14.694 -1.863 -3.819 860 HA ASP 114 HA ASP 114 -13.295 -0.965 -6.225 861 HB2 ASP 114 HB2 ASP 114 -15.656 -2.483 -5.811 862 HB3 ASP 114 HB3 ASP 114 -16.155 -0.960 -6.554 863 HA PRO 115 HA PRO 115 -13.761 3.248 -5.487 864 HB2 PRO 115 HB2 PRO 115 -13.814 4.365 -8.019 865 HB3 PRO 115 HB3 PRO 115 -12.395 3.610 -7.252 866 HG2 PRO 115 HG2 PRO 115 -14.300 2.343 -9.217 867 HG3 PRO 115 HG3 PRO 115 -12.507 2.318 -9.234 868 HD2 PRO 115 HD2 PRO 115 -13.967 0.269 -8.253 869 HD3 PRO 115 HD3 PRO 115 -12.450 0.735 -7.452 870 H ASP 116 HN ASP 116 -16.334 1.867 -7.400 871 HA ASP 116 HA ASP 116 -18.182 4.032 -6.516 872 HB2 ASP 116 HB2 ASP 116 -17.170 4.014 -9.015 873 HB3 ASP 116 HB3 ASP 116 -18.495 2.885 -9.277 874 H GLU 117 HN GLU 117 -17.676 1.070 -5.609 875 HA GLU 117 HA GLU 117 -19.456 -0.575 -6.690 876 HB2 GLU 117 HB2 GLU 117 -17.561 -0.821 -4.780 877 HB3 GLU 117 HB3 GLU 117 -18.998 -0.782 -3.734 878 HG2 GLU 117 HG2 GLU 117 -19.937 -2.380 -5.633 879 HG3 GLU 117 HG3 GLU 117 -18.244 -2.727 -5.911 880 H SER 118 HN SER 118 -21.555 -0.769 -6.757 881 HA SER 118 HA SER 118 -23.364 0.163 -4.622 882 HB2 SER 118 HB2 SER 118 -22.780 1.396 -7.246 883 HB3 SER 118 HB3 SER 118 -24.477 1.010 -7.060 884 HG SER 118 HG SER 118 -23.050 2.957 -5.927 885 H VAL 119 HN VAL 119 -23.406 -2.243 -4.346 886 HA VAL 119 HA VAL 119 -25.291 -3.521 -6.206 887 HB VAL 119 HB VAL 119 -23.114 -4.235 -6.972 888 HG11 VAL 119 HG11 VAL 119 -22.517 -5.080 -4.100 889 HG12 VAL 119 HG12 VAL 119 -21.503 -5.432 -5.521 890 HG13 VAL 119 HG13 VAL 119 -21.744 -3.755 -4.986 891 HG21 VAL 119 HG21 VAL 119 -24.284 -6.446 -5.258 892 HG22 VAL 119 HG22 VAL 119 -24.979 -5.892 -6.796 893 HG23 VAL 119 HG23 VAL 119 -23.359 -6.622 -6.770 894 H VAL 120 HN VAL 120 -26.771 -4.768 -5.153 895 HA VAL 120 HA VAL 120 -28.214 -5.184 -3.493 896 HB VAL 120 HB VAL 120 -25.805 -6.632 -2.348 897 HG11 VAL 120 HG11 VAL 120 -27.588 -8.189 -1.457 898 HG12 VAL 120 HG12 VAL 120 -27.626 -6.606 -0.695 899 HG13 VAL 120 HG13 VAL 120 -28.817 -7.018 -1.946 900 HG21 VAL 120 HG21 VAL 120 -27.965 -7.575 -4.294 901 HG22 VAL 120 HG22 VAL 120 -26.267 -7.279 -4.716 902 HG23 VAL 120 HG23 VAL 120 -26.677 -8.575 -3.599 903 H LYS 121 HN LYS 121 -28.314 -2.890 -3.055 904 HA LYS 121 HA LYS 121 -27.175 -1.612 -0.897 905 HB2 LYS 121 HB2 LYS 121 -30.153 -1.419 -1.642 906 HB3 LYS 121 HB3 LYS 121 -29.310 -0.323 -0.539 907 HG2 LYS 121 HG2 LYS 121 -27.696 0.166 -2.406 908 HG3 LYS 121 HG3 LYS 121 -28.808 -0.692 -3.499 909 HD2 LYS 121 HD2 LYS 121 -30.543 0.975 -3.107 910 HD3 LYS 121 HD3 LYS 121 -29.540 1.774 -1.857 911 HE2 LYS 121 HE2 LYS 121 -27.712 1.975 -3.592 912 HE3 LYS 121 HE3 LYS 121 -28.843 1.396 -4.817 913 HZ1 LYS 121 HZ1 LYS 121 -30.183 3.406 -4.258 914 HZ2 LYS 121 HZ2 LYS 121 -28.690 3.704 -4.896 915 HZ3 LYS 121 HZ3 LYS 121 -28.901 3.918 -3.304 916 H LEU 122 HN LEU 122 -29.681 -4.063 -0.729 917 HA LEU 122 HA LEU 122 -29.183 -4.774 1.964 918 HB2 LEU 122 HB2 LEU 122 -31.204 -2.681 1.604 919 HB3 LEU 122 HB3 LEU 122 -31.992 -4.144 2.173 920 HG LEU 122 HG LEU 122 -29.533 -2.968 3.528 921 HD11 LEU 122 HD11 LEU 122 -31.136 -2.057 5.203 922 HD12 LEU 122 HD12 LEU 122 -32.484 -2.532 4.152 923 HD13 LEU 122 HD13 LEU 122 -31.315 -1.307 3.608 924 HD21 LEU 122 HD21 LEU 122 -30.155 -4.329 5.423 925 HD22 LEU 122 HD22 LEU 122 -30.048 -5.386 4.011 926 HD23 LEU 122 HD23 LEU 122 -31.635 -4.874 4.615 927 H MET 123 HN MET 123 -31.601 -4.591 -0.560 928 HA MET 123 HA MET 123 -33.169 -5.841 -1.459 929 HB2 MET 123 HB2 MET 123 -31.389 -8.182 -0.710 930 HB3 MET 123 HB3 MET 123 -33.016 -8.396 -1.362 931 HG2 MET 123 HG2 MET 123 -32.501 -7.267 -3.382 932 HG3 MET 123 HG3 MET 123 -30.952 -6.681 -2.766 933 HE1 MET 123 HE1 MET 123 -30.173 -9.207 -5.767 934 HE2 MET 123 HE2 MET 123 -31.728 -8.363 -5.598 935 HE3 MET 123 HE3 MET 123 -30.209 -7.499 -5.273 936 H LEU 124 HN LEU 124 -32.603 -8.125 1.136 937 HA LEU 124 HA LEU 124 -34.089 -9.125 2.442 938 HB2 LEU 124 HB2 LEU 124 -35.304 -6.403 3.009 939 HB3 LEU 124 HB3 LEU 124 -35.667 -7.898 3.853 940 HG LEU 124 HG LEU 124 -32.961 -6.489 3.842 941 HD11 LEU 124 HD11 LEU 124 -35.050 -6.752 6.040 942 HD12 LEU 124 HD12 LEU 124 -34.684 -5.282 5.115 943 HD13 LEU 124 HD13 LEU 124 -33.458 -5.969 6.196 944 HD21 LEU 124 HD21 LEU 124 -33.872 -8.975 5.352 945 HD22 LEU 124 HD22 LEU 124 -32.356 -8.090 5.661 946 HD23 LEU 124 HD23 LEU 124 -32.607 -8.885 4.107 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 22.291 -3.045 7.414 2 HA2 GLY 1 HA2 GLY 1 21.860 -0.949 6.312 3 HA3 GLY 1 HA1 GLY 1 21.470 -2.276 5.205 4 H MET 2 HN MET 2 20.048 -0.130 7.650 5 HA MET 2 HA MET 2 18.020 0.935 7.827 6 HB2 MET 2 HB2 MET 2 18.578 1.403 4.904 7 HB3 MET 2 HB3 MET 2 17.927 2.537 6.093 8 HG2 MET 2 HG2 MET 2 20.158 2.261 7.279 9 HG3 MET 2 HG3 MET 2 20.707 1.408 5.854 10 HE1 MET 2 HE1 MET 2 19.608 5.894 5.377 11 HE2 MET 2 HE2 MET 2 18.377 4.618 5.421 12 HE3 MET 2 HE3 MET 2 19.297 5.030 6.887 13 H ARG 3 HN ARG 3 17.399 -1.559 7.158 14 HA ARG 3 HA ARG 3 15.965 -3.041 6.121 15 HB2 ARG 3 HB2 ARG 3 14.149 -0.824 7.068 16 HB3 ARG 3 HB3 ARG 3 13.407 -2.142 6.178 17 HG2 ARG 3 HG2 ARG 3 15.048 -2.815 8.585 18 HG3 ARG 3 HG3 ARG 3 13.399 -2.197 8.748 19 HD2 ARG 3 HD2 ARG 3 12.513 -3.950 7.434 20 HD3 ARG 3 HD3 ARG 3 14.089 -4.674 7.143 21 HE ARG 3 HE ARG 3 12.397 -4.705 9.544 22 HH11 ARG 3 HH11 ARG 3 15.764 -5.116 8.607 23 HH12 ARG 3 HH12 ARG 3 16.037 -6.545 9.558 24 HH21 ARG 3 HH21 ARG 3 12.740 -6.594 10.881 25 HH22 ARG 3 HH22 ARG 3 14.289 -7.338 10.950 26 H ILE 4 HN ILE 4 17.417 -1.970 4.172 27 HA ILE 4 HA ILE 4 15.663 -1.024 2.048 28 HB ILE 4 HB ILE 4 18.523 -1.996 1.877 29 HG12 ILE 4 HG12 ILE 4 17.535 0.874 2.159 30 HG13 ILE 4 HG13 ILE 4 18.135 -0.078 3.494 31 HG21 ILE 4 HG21 ILE 4 17.415 -1.943 -0.303 32 HG22 ILE 4 HG22 ILE 4 16.675 -0.377 0.046 33 HG23 ILE 4 HG23 ILE 4 18.426 -0.504 -0.203 34 HD11 ILE 4 HD11 ILE 4 19.775 0.675 1.083 35 HD12 ILE 4 HD12 ILE 4 19.912 1.316 2.729 36 HD13 ILE 4 HD13 ILE 4 20.286 -0.389 2.422 37 HA PRO 5 HA PRO 5 15.028 -5.415 0.846 38 HB2 PRO 5 HB2 PRO 5 13.122 -5.008 -1.151 39 HB3 PRO 5 HB3 PRO 5 12.715 -5.214 0.556 40 HG2 PRO 5 HG2 PRO 5 13.141 -2.670 -0.931 41 HG3 PRO 5 HG3 PRO 5 11.750 -3.078 0.112 42 HD2 PRO 5 HD2 PRO 5 13.924 -1.535 0.888 43 HD3 PRO 5 HD3 PRO 5 13.216 -2.722 2.033 44 H SER 6 HN SER 6 16.065 -6.486 -0.589 45 HA SER 6 HA SER 6 17.287 -5.056 -2.938 46 HB2 SER 6 HB2 SER 6 17.948 -7.735 -1.669 47 HB3 SER 6 HB3 SER 6 18.743 -7.053 -3.076 48 HG SER 6 HG SER 6 20.000 -6.469 -1.522 49 H ALA 7 HN ALA 7 14.894 -7.506 -2.013 50 HA ALA 7 HA ALA 7 14.920 -8.779 -4.619 51 HB1 ALA 7 HB1 ALA 7 13.071 -9.180 -2.231 52 HB2 ALA 7 HB2 ALA 7 13.311 -10.259 -3.618 53 HB3 ALA 7 HB3 ALA 7 14.626 -10.043 -2.443 54 H ILE 8 HN ILE 8 14.327 -6.104 -4.889 55 HA ILE 8 HA ILE 8 11.506 -5.489 -4.945 56 HB ILE 8 HB ILE 8 13.681 -4.422 -6.800 57 HG12 ILE 8 HG12 ILE 8 14.546 -4.105 -4.606 58 HG13 ILE 8 HG13 ILE 8 14.062 -2.570 -5.317 59 HG21 ILE 8 HG21 ILE 8 10.992 -3.260 -5.970 60 HG22 ILE 8 HG22 ILE 8 12.236 -2.371 -6.870 61 HG23 ILE 8 HG23 ILE 8 11.480 -3.795 -7.586 62 HD11 ILE 8 HD11 ILE 8 11.948 -2.654 -3.972 63 HD12 ILE 8 HD12 ILE 8 12.562 -4.148 -3.212 64 HD13 ILE 8 HD13 ILE 8 13.440 -2.606 -3.019 65 H GLN 9 HN GLN 9 10.142 -6.740 -5.994 66 HA GLN 9 HA GLN 9 10.593 -7.160 -8.903 67 HB2 GLN 9 HB2 GLN 9 9.486 -9.058 -6.819 68 HB3 GLN 9 HB3 GLN 9 8.843 -9.067 -8.484 69 HG2 GLN 9 HG2 GLN 9 11.006 -9.443 -9.409 70 HG3 GLN 9 HG3 GLN 9 11.786 -9.376 -7.816 71 HE21 GLN 9 HE21 GLN 9 10.465 -10.983 -6.168 72 HE22 GLN 9 HE22 GLN 9 10.059 -12.536 -6.866 73 H LEU 10 HN LEU 10 9.404 -5.638 -9.753 74 HA LEU 10 HA LEU 10 7.253 -4.294 -8.276 75 HB2 LEU 10 HB2 LEU 10 8.221 -2.677 -9.413 76 HB3 LEU 10 HB3 LEU 10 9.056 -3.762 -10.490 77 HG LEU 10 HG LEU 10 7.233 -3.771 -12.062 78 HD11 LEU 10 HD11 LEU 10 5.508 -1.709 -11.465 79 HD12 LEU 10 HD12 LEU 10 5.737 -2.456 -9.865 80 HD13 LEU 10 HD13 LEU 10 5.186 -3.435 -11.233 81 HD21 LEU 10 HD21 LEU 10 9.005 -2.089 -12.194 82 HD22 LEU 10 HD22 LEU 10 8.065 -0.986 -11.155 83 HD23 LEU 10 HD23 LEU 10 7.484 -1.412 -12.776 84 H HIS 11 HN HIS 11 7.575 -6.689 -10.651 85 HA HIS 11 HA HIS 11 6.260 -8.090 -11.848 86 HB2 HIS 11 HB2 HIS 11 4.378 -7.740 -9.511 87 HB3 HIS 11 HB3 HIS 11 4.044 -8.780 -10.883 88 HD1 HIS 11 HD1 HIS 11 5.367 -11.067 -11.065 89 HD2 HIS 11 HD2 HIS 11 6.293 -8.628 -7.761 90 HE1 HIS 11 HE1 HIS 11 6.872 -12.438 -9.516 91 H LYS 12 HN LYS 12 6.470 -5.939 -13.149 92 HA LYS 12 HA LYS 12 4.274 -4.124 -13.320 93 HB2 LYS 12 HB2 LYS 12 6.813 -4.455 -14.581 94 HB3 LYS 12 HB3 LYS 12 5.633 -4.398 -15.880 95 HG2 LYS 12 HG2 LYS 12 5.603 -2.358 -13.647 96 HG3 LYS 12 HG3 LYS 12 6.729 -2.194 -14.981 97 HD2 LYS 12 HD2 LYS 12 3.728 -2.423 -15.405 98 HD3 LYS 12 HD3 LYS 12 4.551 -0.889 -15.097 99 HE2 LYS 12 HE2 LYS 12 5.960 -1.110 -17.010 100 HE3 LYS 12 HE3 LYS 12 5.323 -2.730 -17.391 101 HZ1 LYS 12 HZ1 LYS 12 4.327 -0.798 -18.667 102 HZ2 LYS 12 HZ2 LYS 12 3.628 -0.323 -17.267 103 HZ3 LYS 12 HZ3 LYS 12 3.223 -1.762 -17.929 104 H ALA 13 HN ALA 13 4.561 -7.366 -14.562 105 HA ALA 13 HA ALA 13 2.557 -7.288 -16.590 106 HB1 ALA 13 HB1 ALA 13 3.492 -9.489 -14.696 107 HB2 ALA 13 HB2 ALA 13 2.433 -9.738 -16.088 108 HB3 ALA 13 HB3 ALA 13 4.096 -9.169 -16.339 109 H SER 14 HN SER 14 2.369 -7.617 -13.036 110 HA SER 14 HA SER 14 -0.588 -7.933 -13.159 111 HB2 SER 14 HB2 SER 14 1.448 -9.364 -11.406 112 HB3 SER 14 HB3 SER 14 -0.301 -9.634 -11.430 113 HG SER 14 HG SER 14 -0.134 -10.277 -13.587 114 H LYS 15 HN LYS 15 1.848 -5.989 -11.965 115 HA LYS 15 HA LYS 15 2.101 -4.332 -10.619 116 HB2 LYS 15 HB2 LYS 15 -0.921 -4.227 -10.476 117 HB3 LYS 15 HB3 LYS 15 0.221 -2.921 -10.168 118 HG2 LYS 15 HG2 LYS 15 -0.135 -2.400 -12.285 119 HG3 LYS 15 HG3 LYS 15 0.977 -3.648 -12.657 120 HD2 LYS 15 HD2 LYS 15 -1.030 -3.658 -14.013 121 HD3 LYS 15 HD3 LYS 15 -0.800 -5.200 -13.219 122 HE2 LYS 15 HE2 LYS 15 -2.281 -3.234 -11.685 123 HE3 LYS 15 HE3 LYS 15 -3.101 -3.565 -13.225 124 HZ1 LYS 15 HZ1 LYS 15 -3.836 -5.020 -11.412 125 HZ2 LYS 15 HZ2 LYS 15 -2.335 -5.692 -11.294 126 HZ3 LYS 15 HZ3 LYS 15 -3.202 -5.886 -12.672 127 H THR 16 HN THR 16 3.147 -5.931 -9.191 128 HA THR 16 HA THR 16 1.875 -5.890 -6.545 129 HB THR 16 HB THR 16 3.036 -8.368 -7.908 130 HG1 THR 16 HG1 THR 16 1.009 -9.102 -8.128 131 HG21 THR 16 HG21 THR 16 3.278 -8.402 -5.458 132 HG22 THR 16 HG22 THR 16 2.137 -9.620 -6.023 133 HG23 THR 16 HG23 THR 16 1.528 -8.126 -5.279 134 H LEU 17 HN LEU 17 3.463 -4.687 -5.476 135 HA LEU 17 HA LEU 17 6.320 -4.898 -6.138 136 HB2 LEU 17 HB2 LEU 17 5.502 -2.695 -5.459 137 HB3 LEU 17 HB3 LEU 17 4.839 -3.378 -3.976 138 HG LEU 17 HG LEU 17 7.093 -3.892 -3.088 139 HD11 LEU 17 HD11 LEU 17 9.128 -3.219 -3.990 140 HD12 LEU 17 HD12 LEU 17 8.360 -2.601 -5.495 141 HD13 LEU 17 HD13 LEU 17 8.382 -4.342 -5.124 142 HD21 LEU 17 HD21 LEU 17 6.811 -1.054 -4.123 143 HD22 LEU 17 HD22 LEU 17 7.854 -1.576 -2.781 144 HD23 LEU 17 HD23 LEU 17 6.110 -1.709 -2.627 145 H THR 18 HN THR 18 7.178 -6.786 -5.619 146 HA THR 18 HA THR 18 6.641 -7.969 -2.957 147 HB THR 18 HB THR 18 7.785 -9.242 -5.495 148 HG1 THR 18 HG1 THR 18 5.655 -8.635 -5.771 149 HG21 THR 18 HG21 THR 18 7.376 -11.427 -4.500 150 HG22 THR 18 HG22 THR 18 6.766 -10.716 -3.006 151 HG23 THR 18 HG23 THR 18 8.461 -10.509 -3.454 152 H LEU 19 HN LEU 19 8.102 -8.712 -1.729 153 HA LEU 19 HA LEU 19 10.791 -7.523 -1.907 154 HB2 LEU 19 HB2 LEU 19 8.640 -7.215 0.280 155 HB3 LEU 19 HB3 LEU 19 10.316 -6.912 0.595 156 HG LEU 19 HG LEU 19 10.235 -5.223 -1.381 157 HD11 LEU 19 HD11 LEU 19 8.690 -5.219 -2.498 158 HD12 LEU 19 HD12 LEU 19 7.879 -4.266 -1.191 159 HD13 LEU 19 HD13 LEU 19 7.626 -6.044 -1.346 160 HD21 LEU 19 HD21 LEU 19 9.437 -3.475 0.187 161 HD22 LEU 19 HD22 LEU 19 10.469 -4.598 1.111 162 HD23 LEU 19 HD23 LEU 19 8.726 -4.713 1.260 163 H ARG 20 HN ARG 20 11.565 -8.076 0.184 164 HA ARG 20 HA ARG 20 11.132 -10.957 0.998 165 HB2 ARG 20 HB2 ARG 20 12.769 -10.876 -0.848 166 HB3 ARG 20 HB3 ARG 20 13.932 -10.091 0.229 167 HG2 ARG 20 HG2 ARG 20 13.855 -12.103 1.692 168 HG3 ARG 20 HG3 ARG 20 12.531 -12.763 0.719 169 HD2 ARG 20 HD2 ARG 20 14.498 -13.813 -0.115 170 HD3 ARG 20 HD3 ARG 20 14.075 -12.607 -1.322 171 HE ARG 20 HE ARG 20 15.899 -11.575 0.689 172 HH11 ARG 20 HH11 ARG 20 15.938 -13.647 -2.200 173 HH12 ARG 20 HH12 ARG 20 17.665 -13.726 -2.256 174 HH21 ARG 20 HH21 ARG 20 18.037 -11.519 0.531 175 HH22 ARG 20 HH22 ARG 20 18.933 -12.368 -0.701 176 H TYR 21 HN TYR 21 10.371 -10.066 3.054 177 HA TYR 21 HA TYR 21 12.125 -8.505 4.761 178 HB2 TYR 21 HB2 TYR 21 9.610 -8.416 4.803 179 HB3 TYR 21 HB3 TYR 21 9.634 -10.019 5.514 180 HD1 TYR 21 HD1 TYR 21 10.410 -6.406 6.089 181 HD2 TYR 21 HD2 TYR 21 10.305 -10.359 7.858 182 HE1 TYR 21 HE1 TYR 21 10.630 -5.412 8.319 183 HE2 TYR 21 HE2 TYR 21 10.588 -9.345 10.093 184 HH TYR 21 HH TYR 21 9.861 -6.472 10.869 185 H GLY 22 HN GLY 22 14.013 -9.727 4.735 186 HA2 GLY 22 HA2 GLY 22 15.508 -10.905 6.109 187 HA3 GLY 22 HA1 GLY 22 14.185 -11.703 6.934 188 H GLU 23 HN GLU 23 13.237 -13.459 5.979 189 HA GLU 23 HA GLU 23 14.557 -14.782 3.661 190 HB2 GLU 23 HB2 GLU 23 14.793 -16.699 4.799 191 HB3 GLU 23 HB3 GLU 23 15.251 -15.472 5.989 192 HG2 GLU 23 HG2 GLU 23 12.810 -15.594 6.794 193 HG3 GLU 23 HG3 GLU 23 12.700 -16.937 5.634 194 H ASP 24 HN ASP 24 11.700 -13.595 5.077 195 HA ASP 24 HA ASP 24 9.842 -15.426 3.666 196 HB2 ASP 24 HB2 ASP 24 9.493 -12.958 5.427 197 HB3 ASP 24 HB3 ASP 24 8.172 -13.667 4.519 198 H SER 25 HN SER 25 8.687 -14.771 1.640 199 HA SER 25 HA SER 25 9.281 -12.103 0.618 200 HB2 SER 25 HB2 SER 25 8.098 -14.567 -0.720 201 HB3 SER 25 HB3 SER 25 8.538 -13.075 -1.438 202 HG SER 25 HG SER 25 10.061 -15.005 -1.508 203 H TYR 26 HN TYR 26 7.564 -10.748 0.302 204 HA TYR 26 HA TYR 26 4.807 -11.732 0.645 205 HB2 TYR 26 HB2 TYR 26 5.817 -9.150 1.854 206 HB3 TYR 26 HB3 TYR 26 4.174 -9.761 1.893 207 HD1 TYR 26 HD1 TYR 26 3.728 -12.031 3.062 208 HD2 TYR 26 HD2 TYR 26 7.349 -9.732 3.540 209 HE1 TYR 26 HE1 TYR 26 4.226 -13.283 5.160 210 HE2 TYR 26 HE2 TYR 26 7.783 -10.932 5.720 211 HH TYR 26 HH TYR 26 6.625 -13.743 6.631 212 H ASP 27 HN ASP 27 3.381 -10.744 -0.720 213 HA ASP 27 HA ASP 27 4.638 -9.435 -3.060 214 HB2 ASP 27 HB2 ASP 27 2.463 -11.566 -2.844 215 HB3 ASP 27 HB3 ASP 27 3.019 -10.832 -4.342 216 H LEU 28 HN LEU 28 3.913 -7.239 -2.487 217 HA LEU 28 HA LEU 28 1.130 -7.111 -1.528 218 HB2 LEU 28 HB2 LEU 28 2.851 -4.682 -1.852 219 HB3 LEU 28 HB3 LEU 28 1.572 -5.029 -0.708 220 HG LEU 28 HG LEU 28 4.453 -5.964 -0.722 221 HD11 LEU 28 HD11 LEU 28 2.704 -4.349 1.150 222 HD12 LEU 28 HD12 LEU 28 4.057 -3.756 0.168 223 HD13 LEU 28 HD13 LEU 28 4.336 -4.827 1.565 224 HD21 LEU 28 HD21 LEU 28 2.636 -6.808 1.531 225 HD22 LEU 28 HD22 LEU 28 4.243 -7.389 1.083 226 HD23 LEU 28 HD23 LEU 28 2.866 -7.873 0.127 227 HA PRO 29 HA PRO 29 -0.133 -5.686 -5.539 228 HB2 PRO 29 HB2 PRO 29 -2.681 -4.897 -5.086 229 HB3 PRO 29 HB3 PRO 29 -2.176 -6.608 -4.948 230 HG2 PRO 29 HG2 PRO 29 -2.451 -4.572 -2.734 231 HG3 PRO 29 HG3 PRO 29 -3.138 -6.214 -2.761 232 HD2 PRO 29 HD2 PRO 29 -0.776 -5.703 -1.506 233 HD3 PRO 29 HD3 PRO 29 -1.013 -7.211 -2.442 234 H ALA 30 HN ALA 30 -0.536 -3.821 -6.803 235 HA ALA 30 HA ALA 30 0.371 -1.262 -5.832 236 HB1 ALA 30 HB1 ALA 30 -0.309 -0.492 -8.096 237 HB2 ALA 30 HB2 ALA 30 0.643 -1.989 -8.126 238 HB3 ALA 30 HB3 ALA 30 -1.127 -2.029 -8.398 239 H GLU 31 HN GLU 31 -2.669 -2.736 -5.166 240 HA GLU 31 HA GLU 31 -3.995 -0.131 -4.771 241 HB2 GLU 31 HB2 GLU 31 -5.915 -1.318 -4.127 242 HB3 GLU 31 HB3 GLU 31 -5.276 -2.064 -5.583 243 HG2 GLU 31 HG2 GLU 31 -4.135 -3.763 -4.056 244 HG3 GLU 31 HG3 GLU 31 -5.080 -3.113 -2.738 245 H PHE 32 HN PHE 32 -2.398 -2.652 -2.780 246 HA PHE 32 HA PHE 32 -3.411 -1.769 -0.294 247 HB2 PHE 32 HB2 PHE 32 -2.716 -3.999 -0.585 248 HB3 PHE 32 HB3 PHE 32 -1.114 -3.533 -1.133 249 HD1 PHE 32 HD1 PHE 32 -3.357 -3.674 1.916 250 HD2 PHE 32 HD2 PHE 32 0.698 -3.350 0.458 251 HE1 PHE 32 HE1 PHE 32 -2.518 -4.126 4.163 252 HE2 PHE 32 HE2 PHE 32 1.510 -3.766 2.785 253 HZ PHE 32 HZ PHE 32 -0.075 -4.041 4.620 254 H LEU 33 HN LEU 33 -0.240 -1.026 -1.824 255 HA LEU 33 HA LEU 33 0.876 0.411 0.418 256 HB2 LEU 33 HB2 LEU 33 1.559 0.275 -2.547 257 HB3 LEU 33 HB3 LEU 33 2.358 1.373 -1.434 258 HG LEU 33 HG LEU 33 2.150 -1.448 -0.438 259 HD11 LEU 33 HD11 LEU 33 3.890 -0.817 -2.844 260 HD12 LEU 33 HD12 LEU 33 2.497 -1.923 -2.800 261 HD13 LEU 33 HD13 LEU 33 3.943 -2.304 -1.857 262 HD21 LEU 33 HD21 LEU 33 4.507 0.469 -0.690 263 HD22 LEU 33 HD22 LEU 33 4.445 -1.033 0.263 264 HD23 LEU 33 HD23 LEU 33 3.431 0.349 0.710 265 H ARG 34 HN ARG 34 -1.128 1.406 -2.344 266 HA ARG 34 HA ARG 34 -1.011 4.227 -1.907 267 HB2 ARG 34 HB2 ARG 34 -1.989 3.450 -3.926 268 HB3 ARG 34 HB3 ARG 34 -3.157 2.452 -3.079 269 HG2 ARG 34 HG2 ARG 34 -4.200 4.396 -4.106 270 HG3 ARG 34 HG3 ARG 34 -4.432 4.363 -2.368 271 HD2 ARG 34 HD2 ARG 34 -3.996 6.615 -3.279 272 HD3 ARG 34 HD3 ARG 34 -2.825 6.149 -2.072 273 HE ARG 34 HE ARG 34 -2.447 6.155 -5.031 274 HH11 ARG 34 HH11 ARG 34 -1.317 7.132 -1.810 275 HH12 ARG 34 HH12 ARG 34 0.336 7.385 -2.280 276 HH21 ARG 34 HH21 ARG 34 -0.219 7.029 -5.708 277 HH22 ARG 34 HH22 ARG 34 0.935 7.298 -4.465 278 H VAL 35 HN VAL 35 -3.271 1.815 -0.417 279 HA VAL 35 HA VAL 35 -4.627 3.892 1.052 280 HB VAL 35 HB VAL 35 -5.652 2.047 2.324 281 HG11 VAL 35 HG11 VAL 35 -5.719 2.043 -0.719 282 HG12 VAL 35 HG12 VAL 35 -6.821 1.056 0.273 283 HG13 VAL 35 HG13 VAL 35 -6.823 2.785 0.461 284 HG21 VAL 35 HG21 VAL 35 -3.898 0.299 2.133 285 HG22 VAL 35 HG22 VAL 35 -5.505 -0.239 1.669 286 HG23 VAL 35 HG23 VAL 35 -4.324 0.126 0.403 287 H HIS 36 HN HIS 36 -1.556 2.204 1.675 288 HA HIS 36 HA HIS 36 -1.405 3.444 4.386 289 HB2 HIS 36 HB2 HIS 36 0.434 1.346 3.220 290 HB3 HIS 36 HB3 HIS 36 0.381 1.921 4.877 291 HD1 HIS 36 HD1 HIS 36 -1.805 -0.099 2.439 292 HD2 HIS 36 HD2 HIS 36 -1.115 0.446 6.575 293 HE1 HIS 36 HE1 HIS 36 -3.303 -1.744 3.673 294 H SER 37 HN SER 37 -1.182 5.276 2.320 295 HA SER 37 HA SER 37 1.765 5.677 1.970 296 HB2 SER 37 HB2 SER 37 0.515 5.267 -0.049 297 HB3 SER 37 HB3 SER 37 -0.509 6.678 0.273 298 HG SER 37 HG SER 37 1.329 8.008 0.017 299 HA PRO 38 HA PRO 38 0.225 8.623 5.130 300 HB2 PRO 38 HB2 PRO 38 2.511 8.921 6.602 301 HB3 PRO 38 HB3 PRO 38 1.436 7.497 6.734 302 HG2 PRO 38 HG2 PRO 38 4.008 7.753 5.156 303 HG3 PRO 38 HG3 PRO 38 3.476 6.405 6.210 304 HD2 PRO 38 HD2 PRO 38 3.194 6.383 3.477 305 HD3 PRO 38 HD3 PRO 38 2.028 5.573 4.558 306 H SER 39 HN SER 39 -0.143 10.426 3.907 307 HA SER 39 HA SER 39 1.810 11.973 2.515 308 HB2 SER 39 HB2 SER 39 -0.390 13.538 3.610 309 HB3 SER 39 HB3 SER 39 -0.005 13.184 1.934 310 HG SER 39 HG SER 39 -1.255 11.343 2.023 311 H ALA 40 HN ALA 40 3.362 13.299 3.404 312 HA ALA 40 HA ALA 40 3.630 13.261 6.298 313 HB1 ALA 40 HB1 ALA 40 5.580 12.996 4.837 314 HB2 ALA 40 HB2 ALA 40 5.354 14.643 4.210 315 HB3 ALA 40 HB3 ALA 40 5.764 14.393 5.915 316 H GLU 41 HN GLU 41 2.019 15.386 4.135 317 HA GLU 41 HA GLU 41 2.248 17.775 5.784 318 HB2 GLU 41 HB2 GLU 41 0.495 17.167 3.384 319 HB3 GLU 41 HB3 GLU 41 0.766 18.765 4.129 320 HG2 GLU 41 HG2 GLU 41 3.322 18.177 3.719 321 HG3 GLU 41 HG3 GLU 41 2.673 17.067 2.507 322 H VAL 42 HN VAL 42 1.467 15.609 7.110 323 HA VAL 42 HA VAL 42 -1.313 16.157 7.988 324 HB VAL 42 HB VAL 42 0.098 13.501 7.772 325 HG11 VAL 42 HG11 VAL 42 -2.289 12.589 8.269 326 HG12 VAL 42 HG12 VAL 42 -1.344 13.257 9.596 327 HG13 VAL 42 HG13 VAL 42 -2.635 14.240 8.883 328 HG21 VAL 42 HG21 VAL 42 -0.758 14.424 5.573 329 HG22 VAL 42 HG22 VAL 42 -1.619 12.965 6.058 330 HG23 VAL 42 HG23 VAL 42 -2.369 14.557 6.309 331 H GLN 43 HN GLN 43 1.907 16.363 8.869 332 HA GLN 43 HA GLN 43 2.986 16.632 10.922 333 HB2 GLN 43 HB2 GLN 43 1.782 18.261 12.413 334 HB3 GLN 43 HB3 GLN 43 2.064 18.766 10.747 335 HG2 GLN 43 HG2 GLN 43 -0.214 18.348 10.116 336 HG3 GLN 43 HG3 GLN 43 -0.530 17.510 11.658 337 HE21 GLN 43 HE21 GLN 43 -2.285 18.920 11.168 338 HE22 GLN 43 HE22 GLN 43 -2.244 19.491 12.732 339 H GLY 44 HN GLY 44 2.522 14.178 10.986 340 HA2 GLY 44 HA2 GLY 44 2.513 12.525 12.718 341 HA3 GLY 44 HA1 GLY 44 1.463 13.550 13.692 342 H HIS 45 HN HIS 45 -0.786 14.019 12.655 343 HA HIS 45 HA HIS 45 -1.874 11.793 11.122 344 HB2 HIS 45 HB2 HIS 45 -3.352 10.956 12.890 345 HB3 HIS 45 HB3 HIS 45 -1.666 10.681 13.239 346 HD1 HIS 45 HD1 HIS 45 -2.678 10.370 15.822 347 HD2 HIS 45 HD2 HIS 45 -2.652 14.262 14.162 348 HE1 HIS 45 HE1 HIS 45 -2.946 12.001 17.753 349 H GLY 46 HN GLY 46 -4.440 11.938 11.349 350 HA2 GLY 46 HA2 GLY 46 -5.544 14.494 12.008 351 HA3 GLY 46 HA1 GLY 46 -5.553 14.175 10.251 352 H ASN 47 HN ASN 47 -7.941 14.099 10.568 353 HA ASN 47 HA ASN 47 -9.381 12.228 12.003 354 HB2 ASN 47 HB2 ASN 47 -9.854 13.084 9.125 355 HB3 ASN 47 HB3 ASN 47 -11.030 12.255 10.102 356 HD21 ASN 47 HD21 ASN 47 -10.067 15.329 9.121 357 HD22 ASN 47 HD22 ASN 47 -10.877 16.229 10.380 358 HA PRO 48 HA PRO 48 -8.637 8.268 9.844 359 HB2 PRO 48 HB2 PRO 48 -10.987 6.979 10.367 360 HB3 PRO 48 HB3 PRO 48 -9.710 7.205 11.600 361 HG2 PRO 48 HG2 PRO 48 -12.256 8.787 11.219 362 HG3 PRO 48 HG3 PRO 48 -11.517 8.215 12.745 363 HD2 PRO 48 HD2 PRO 48 -11.238 10.774 11.719 364 HD3 PRO 48 HD3 PRO 48 -10.027 10.035 12.782 365 H VAL 49 HN VAL 49 -8.884 7.993 7.685 366 HA VAL 49 HA VAL 49 -11.341 8.704 6.298 367 HB VAL 49 HB VAL 49 -8.703 9.909 5.480 368 HG11 VAL 49 HG11 VAL 49 -9.948 9.248 3.507 369 HG12 VAL 49 HG12 VAL 49 -11.404 10.072 4.113 370 HG13 VAL 49 HG13 VAL 49 -9.968 11.000 3.644 371 HG21 VAL 49 HG21 VAL 49 -9.605 11.293 7.260 372 HG22 VAL 49 HG22 VAL 49 -9.825 12.132 5.719 373 HG23 VAL 49 HG23 VAL 49 -11.200 11.306 6.473 374 H LEU 50 HN LEU 50 -11.624 7.149 5.016 375 HA LEU 50 HA LEU 50 -9.594 5.063 4.375 376 HB2 LEU 50 HB2 LEU 50 -11.828 4.433 5.391 377 HB3 LEU 50 HB3 LEU 50 -12.668 5.321 4.137 378 HG LEU 50 HG LEU 50 -11.874 3.654 2.442 379 HD11 LEU 50 HD11 LEU 50 -11.227 1.375 3.633 380 HD12 LEU 50 HD12 LEU 50 -10.639 2.425 4.915 381 HD13 LEU 50 HD13 LEU 50 -9.961 2.588 3.275 382 HD21 LEU 50 HD21 LEU 50 -13.468 1.979 3.043 383 HD22 LEU 50 HD22 LEU 50 -14.095 3.552 3.538 384 HD23 LEU 50 HD23 LEU 50 -13.424 2.461 4.758 385 H GLN 51 HN GLN 51 -9.304 4.317 2.295 386 HA GLN 51 HA GLN 51 -10.052 6.215 0.191 387 HB2 GLN 51 HB2 GLN 51 -7.575 4.573 -0.052 388 HB3 GLN 51 HB3 GLN 51 -8.020 6.074 -0.783 389 HG2 GLN 51 HG2 GLN 51 -6.304 6.557 0.828 390 HG3 GLN 51 HG3 GLN 51 -7.797 7.210 1.436 391 HE21 GLN 51 HE21 GLN 51 -6.704 7.290 3.348 392 HE22 GLN 51 HE22 GLN 51 -6.844 5.991 4.490 393 H TYR 52 HN TYR 52 -11.604 5.110 -1.097 394 HA TYR 52 HA TYR 52 -11.397 2.153 -1.392 395 HB2 TYR 52 HB2 TYR 52 -13.759 1.983 -1.464 396 HB3 TYR 52 HB3 TYR 52 -13.372 2.812 -0.029 397 HD1 TYR 52 HD2 TYR 52 -13.782 5.278 0.280 398 HD2 TYR 52 HD1 TYR 52 -15.023 3.179 -3.302 399 HE1 TYR 52 HE2 TYR 52 -15.214 7.176 -0.351 400 HE2 TYR 52 HE1 TYR 52 -16.394 5.098 -3.950 401 HH TYR 52 HH TYR 52 -16.814 7.371 -3.541 402 H GLY 53 HN GLY 53 -13.067 1.806 -3.428 403 HA2 GLY 53 HA2 GLY 53 -13.208 1.999 -5.774 404 HA3 GLY 53 HA1 GLY 53 -12.982 3.724 -5.503 405 H LYS 54 HN LYS 54 -10.590 1.132 -4.800 406 HA LYS 54 HA LYS 54 -8.669 2.590 -6.544 407 HB2 LYS 54 HB2 LYS 54 -8.008 1.013 -4.055 408 HB3 LYS 54 HB3 LYS 54 -6.880 1.878 -5.073 409 HG2 LYS 54 HG2 LYS 54 -9.000 3.010 -3.256 410 HG3 LYS 54 HG3 LYS 54 -7.270 3.216 -3.129 411 HD2 LYS 54 HD2 LYS 54 -8.907 4.385 -5.449 412 HD3 LYS 54 HD3 LYS 54 -8.675 5.185 -3.935 413 HE2 LYS 54 HE2 LYS 54 -7.138 6.077 -5.506 414 HE3 LYS 54 HE3 LYS 54 -6.233 5.255 -4.254 415 HZ1 LYS 54 HZ1 LYS 54 -5.533 4.917 -6.565 416 HZ2 LYS 54 HZ2 LYS 54 -6.848 4.090 -6.929 417 HZ3 LYS 54 HZ3 LYS 54 -5.756 3.486 -5.810 418 H LEU 55 HN LEU 55 -10.441 -0.214 -6.611 419 HA LEU 55 HA LEU 55 -8.568 -2.230 -6.678 420 HB2 LEU 55 HB2 LEU 55 -11.118 -2.381 -6.614 421 HB3 LEU 55 HB3 LEU 55 -11.123 -2.252 -8.353 422 HG LEU 55 HG LEU 55 -9.823 -4.372 -8.510 423 HD11 LEU 55 HD11 LEU 55 -9.635 -5.773 -6.340 424 HD12 LEU 55 HD12 LEU 55 -9.832 -4.255 -5.447 425 HD13 LEU 55 HD13 LEU 55 -8.469 -4.474 -6.533 426 HD21 LEU 55 HD21 LEU 55 -11.603 -5.869 -7.730 427 HD22 LEU 55 HD22 LEU 55 -12.288 -4.410 -8.454 428 HD23 LEU 55 HD23 LEU 55 -12.258 -4.587 -6.687 429 H ASN 56 HN ASN 56 -9.348 -0.046 -9.310 430 HA ASN 56 HA ASN 56 -8.360 -1.888 -11.360 431 HB2 ASN 56 HB2 ASN 56 -9.244 0.910 -12.004 432 HB3 ASN 56 HB3 ASN 56 -9.444 -0.556 -12.949 433 HD21 ASN 56 HD21 ASN 56 -11.244 -2.089 -12.148 434 HD22 ASN 56 HD22 ASN 56 -12.366 -1.588 -10.903 435 H VAL 57 HN VAL 57 -6.707 -0.006 -9.350 436 HA VAL 57 HA VAL 57 -5.038 1.664 -10.901 437 HB VAL 57 HB VAL 57 -5.278 1.723 -8.445 438 HG11 VAL 57 HG11 VAL 57 -3.588 -0.824 -8.338 439 HG12 VAL 57 HG12 VAL 57 -4.302 0.076 -6.983 440 HG13 VAL 57 HG13 VAL 57 -5.333 -0.804 -8.089 441 HG21 VAL 57 HG21 VAL 57 -3.003 2.219 -7.876 442 HG22 VAL 57 HG22 VAL 57 -2.374 1.090 -9.096 443 HG23 VAL 57 HG23 VAL 57 -3.174 2.579 -9.609 444 H GLY 58 HN GLY 58 -2.808 1.427 -11.364 445 HA2 GLY 58 HA2 GLY 58 -1.633 -1.207 -11.193 446 HA3 GLY 58 HA1 GLY 58 -1.665 -0.443 -12.783 447 H LEU 59 HN LEU 59 0.777 -0.732 -12.351 448 HA LEU 59 HA LEU 59 1.866 1.634 -10.961 449 HB2 LEU 59 HB2 LEU 59 1.846 -0.900 -9.798 450 HB3 LEU 59 HB3 LEU 59 3.397 -0.891 -10.653 451 HG LEU 59 HG LEU 59 2.760 1.576 -9.121 452 HD11 LEU 59 HD11 LEU 59 3.034 -1.006 -7.710 453 HD12 LEU 59 HD12 LEU 59 1.898 0.393 -7.527 454 HD13 LEU 59 HD13 LEU 59 3.603 0.548 -7.054 455 HD21 LEU 59 HD21 LEU 59 5.222 -0.231 -9.064 456 HD22 LEU 59 HD22 LEU 59 5.103 1.469 -8.546 457 HD23 LEU 59 HD23 LEU 59 5.016 1.068 -10.249 458 H VAL 60 HN VAL 60 3.912 2.180 -11.573 459 HA VAL 60 HA VAL 60 4.303 1.655 -14.445 460 HB VAL 60 HB VAL 60 4.599 4.284 -14.307 461 HG11 VAL 60 HG11 VAL 60 2.961 3.136 -15.718 462 HG12 VAL 60 HG12 VAL 60 1.919 2.824 -14.314 463 HG13 VAL 60 HG13 VAL 60 2.170 4.489 -14.891 464 HG21 VAL 60 HG21 VAL 60 2.866 5.268 -12.785 465 HG22 VAL 60 HG22 VAL 60 2.787 3.731 -11.910 466 HG23 VAL 60 HG23 VAL 60 4.315 4.641 -12.004 467 H GLY 61 HN GLY 61 5.757 2.613 -11.391 468 HA2 GLY 61 HA2 GLY 61 8.297 1.560 -12.142 469 HA3 GLY 61 HA1 GLY 61 8.348 3.330 -12.225 470 H VAL 62 HN VAL 62 9.918 1.907 -10.376 471 HA VAL 62 HA VAL 62 9.126 3.343 -7.995 472 HB VAL 62 HB VAL 62 9.653 0.335 -7.890 473 HG11 VAL 62 HG11 VAL 62 9.507 2.377 -5.683 474 HG12 VAL 62 HG12 VAL 62 9.283 0.630 -5.409 475 HG13 VAL 62 HG13 VAL 62 10.810 1.227 -6.071 476 HG21 VAL 62 HG21 VAL 62 7.329 0.617 -8.344 477 HG22 VAL 62 HG22 VAL 62 7.460 0.217 -6.636 478 HG23 VAL 62 HG23 VAL 62 7.169 1.900 -7.116 479 H GLU 63 HN GLU 63 11.064 4.156 -7.087 480 HA GLU 63 HA GLU 63 13.586 2.876 -7.806 481 HB2 GLU 63 HB2 GLU 63 14.532 4.768 -8.976 482 HB3 GLU 63 HB3 GLU 63 13.052 4.296 -9.761 483 HG2 GLU 63 HG2 GLU 63 12.459 6.383 -9.670 484 HG3 GLU 63 HG3 GLU 63 12.142 6.237 -7.955 485 HA PRO 64 HA PRO 64 14.850 4.203 -3.860 486 HB2 PRO 64 HB2 PRO 64 17.561 4.646 -4.252 487 HB3 PRO 64 HB3 PRO 64 16.784 3.038 -4.087 488 HG2 PRO 64 HG2 PRO 64 17.563 4.536 -6.606 489 HG3 PRO 64 HG3 PRO 64 17.814 2.800 -6.218 490 HD2 PRO 64 HD2 PRO 64 15.749 3.602 -7.759 491 HD3 PRO 64 HD3 PRO 64 15.493 2.320 -6.530 492 H ALA 65 HN ALA 65 14.103 6.132 -3.094 493 HA ALA 65 HA ALA 65 14.779 8.645 -4.465 494 HB1 ALA 65 HB1 ALA 65 13.042 9.624 -3.020 495 HB2 ALA 65 HB2 ALA 65 12.437 8.236 -3.918 496 HB3 ALA 65 HB3 ALA 65 12.831 8.065 -2.194 497 H GLY 66 HN GLY 66 16.961 7.368 -3.244 498 HA2 GLY 66 HA2 GLY 66 18.643 9.017 -2.392 499 HA3 GLY 66 HA1 GLY 66 17.664 9.147 -0.939 500 H GLN 67 HN GLN 67 17.803 7.575 0.593 501 HA GLN 67 HA GLN 67 19.083 5.012 0.102 502 HB2 GLN 67 HB2 GLN 67 21.055 5.246 1.117 503 HB3 GLN 67 HB3 GLN 67 20.835 6.826 0.318 504 HG2 GLN 67 HG2 GLN 67 20.319 7.915 2.264 505 HG3 GLN 67 HG3 GLN 67 20.290 6.387 3.204 506 HE21 GLN 67 HE21 GLN 67 22.334 8.822 1.591 507 HE22 GLN 67 HE22 GLN 67 23.818 8.355 2.398 508 H TYR 68 HN TYR 68 16.848 6.771 1.601 509 HA TYR 68 HA TYR 68 16.483 4.924 3.937 510 HB2 TYR 68 HB2 TYR 68 15.598 7.021 5.147 511 HB3 TYR 68 HB3 TYR 68 17.324 6.772 4.988 512 HD1 TYR 68 HD1 TYR 68 18.602 7.946 3.346 513 HD2 TYR 68 HD2 TYR 68 14.573 9.086 4.152 514 HE1 TYR 68 HE1 TYR 68 19.002 10.015 2.034 515 HE2 TYR 68 HE2 TYR 68 14.973 11.282 3.049 516 HH TYR 68 HH TYR 68 16.808 12.747 2.406 517 H ALA 69 HN ALA 69 14.903 6.622 1.270 518 HA ALA 69 HA ALA 69 12.355 5.419 2.047 519 HB1 ALA 69 HB1 ALA 69 12.266 7.734 2.996 520 HB2 ALA 69 HB2 ALA 69 12.712 8.392 1.404 521 HB3 ALA 69 HB3 ALA 69 11.161 7.565 1.617 522 H LEU 70 HN LEU 70 10.796 5.709 0.129 523 HA LEU 70 HA LEU 70 12.412 5.103 -2.262 524 HB2 LEU 70 HB2 LEU 70 11.754 3.067 -0.980 525 HB3 LEU 70 HB3 LEU 70 10.060 3.571 -1.096 526 HG LEU 70 HG LEU 70 10.117 3.351 -3.547 527 HD11 LEU 70 HD11 LEU 70 12.581 3.826 -3.788 528 HD12 LEU 70 HD12 LEU 70 12.018 2.479 -4.729 529 HD13 LEU 70 HD13 LEU 70 12.925 2.209 -3.219 530 HD21 LEU 70 HD21 LEU 70 10.556 0.818 -3.599 531 HD22 LEU 70 HD22 LEU 70 9.370 1.403 -2.394 532 HD23 LEU 70 HD23 LEU 70 11.028 0.966 -1.919 533 H LYS 71 HN LYS 71 11.659 5.894 -4.150 534 HA LYS 71 HA LYS 71 9.248 7.574 -4.152 535 HB2 LYS 71 HB2 LYS 71 11.810 7.393 -5.609 536 HB3 LYS 71 HB3 LYS 71 10.574 7.303 -6.694 537 HG2 LYS 71 HG2 LYS 71 9.640 9.445 -6.177 538 HG3 LYS 71 HG3 LYS 71 10.547 9.520 -4.649 539 HD2 LYS 71 HD2 LYS 71 12.676 9.489 -5.906 540 HD3 LYS 71 HD3 LYS 71 11.806 9.520 -7.438 541 HE2 LYS 71 HE2 LYS 71 11.362 11.668 -5.321 542 HE3 LYS 71 HE3 LYS 71 12.752 11.730 -6.409 543 HZ1 LYS 71 HZ1 LYS 71 11.236 11.731 -8.291 544 HZ2 LYS 71 HZ2 LYS 71 10.962 12.997 -7.320 545 HZ3 LYS 71 HZ3 LYS 71 9.917 11.740 -7.306 546 H LEU 72 HN LEU 72 7.513 6.220 -4.097 547 HA LEU 72 HA LEU 72 7.302 3.905 -5.930 548 HB2 LEU 72 HB2 LEU 72 5.368 5.290 -4.039 549 HB3 LEU 72 HB3 LEU 72 4.857 4.223 -5.302 550 HG LEU 72 HG LEU 72 4.918 2.856 -3.529 551 HD11 LEU 72 HD11 LEU 72 7.668 2.257 -4.494 552 HD12 LEU 72 HD12 LEU 72 6.135 1.674 -5.207 553 HD13 LEU 72 HD13 LEU 72 6.600 1.193 -3.576 554 HD21 LEU 72 HD21 LEU 72 6.117 4.457 -2.008 555 HD22 LEU 72 HD22 LEU 72 7.619 3.630 -2.464 556 HD23 LEU 72 HD23 LEU 72 6.266 2.727 -1.682 557 H SER 73 HN SER 73 6.026 4.050 -7.927 558 HA SER 73 HA SER 73 4.964 6.720 -8.621 559 HB2 SER 73 HB2 SER 73 6.458 4.980 -10.628 560 HB3 SER 73 HB3 SER 73 5.755 6.544 -10.894 561 HG SER 73 HG SER 73 7.243 7.406 -9.336 562 H PHE 74 HN PHE 74 2.830 6.276 -8.597 563 HA PHE 74 HA PHE 74 1.921 3.551 -9.441 564 HB2 PHE 74 HB2 PHE 74 0.691 5.614 -7.582 565 HB3 PHE 74 HB3 PHE 74 -0.188 4.247 -8.251 566 HD1 PHE 74 HD2 PHE 74 3.368 3.502 -7.351 567 HD2 PHE 74 HD1 PHE 74 -0.715 3.598 -5.886 568 HE1 PHE 74 HE2 PHE 74 3.999 2.152 -5.498 569 HE2 PHE 74 HE1 PHE 74 0.019 2.255 -3.975 570 HZ PHE 74 HZ PHE 74 2.433 1.564 -3.782 571 H ASP 75 HN ASP 75 0.237 3.430 -10.970 572 HA ASP 75 HA ASP 75 0.201 5.617 -12.889 573 HB2 ASP 75 HB2 ASP 75 -0.134 3.198 -13.445 574 HB3 ASP 75 HB3 ASP 75 -1.696 3.283 -12.648 575 H ASP 76 HN ASP 76 -1.407 4.854 -10.045 576 HA ASP 76 HA ASP 76 -3.786 6.377 -10.029 577 HB2 ASP 76 HB2 ASP 76 -2.834 4.555 -8.445 578 HB3 ASP 76 HB3 ASP 76 -1.905 5.861 -7.704 579 H GLY 77 HN GLY 77 -0.480 7.442 -10.049 580 HA2 GLY 77 HA2 GLY 77 0.411 9.567 -9.809 581 HA3 GLY 77 HA1 GLY 77 -1.190 10.208 -9.394 582 H HIS 78 HN HIS 78 0.013 11.311 -7.760 583 HA HIS 78 HA HIS 78 0.985 11.864 -5.948 584 HB2 HIS 78 HB2 HIS 78 -1.232 10.939 -5.048 585 HB3 HIS 78 HB3 HIS 78 -0.309 9.572 -4.491 586 HD1 HIS 78 HD1 HIS 78 -1.784 11.554 -2.453 587 HD2 HIS 78 HD2 HIS 78 2.185 11.966 -3.791 588 HE1 HIS 78 HE1 HIS 78 -0.608 13.078 -0.780 589 H ASP 79 HN ASP 79 2.692 11.007 -7.443 590 HA ASP 79 HA ASP 79 4.330 8.779 -6.609 591 HB2 ASP 79 HB2 ASP 79 6.101 9.845 -8.067 592 HB3 ASP 79 HB3 ASP 79 4.603 9.342 -8.832 593 H SER 80 HN SER 80 5.168 12.332 -6.285 594 HA SER 80 HA SER 80 7.189 11.978 -4.434 595 HB2 SER 80 HB2 SER 80 5.144 14.222 -4.557 596 HB3 SER 80 HB3 SER 80 6.715 14.331 -3.758 597 HG SER 80 HG SER 80 6.358 15.130 -6.032 598 H GLY 81 HN GLY 81 7.279 12.467 -2.061 599 HA2 GLY 81 HA2 GLY 81 5.636 12.873 -0.089 600 HA3 GLY 81 HA1 GLY 81 4.965 11.310 -0.586 601 H LEU 82 HN LEU 82 5.593 10.540 1.566 602 HA LEU 82 HA LEU 82 8.413 9.689 1.713 603 HB2 LEU 82 HB2 LEU 82 6.782 11.158 3.753 604 HB3 LEU 82 HB3 LEU 82 7.640 9.759 4.361 605 HG LEU 82 HG LEU 82 9.054 11.923 2.757 606 HD11 LEU 82 HD11 LEU 82 9.841 12.811 4.928 607 HD12 LEU 82 HD12 LEU 82 8.776 11.672 5.787 608 HD13 LEU 82 HD13 LEU 82 8.084 12.952 4.769 609 HD21 LEU 82 HD21 LEU 82 10.249 9.741 2.923 610 HD22 LEU 82 HD22 LEU 82 10.069 9.786 4.690 611 HD23 LEU 82 HD23 LEU 82 11.071 10.992 3.846 612 H PHE 83 HN PHE 83 8.565 7.799 3.148 613 HA PHE 83 HA PHE 83 6.304 6.085 3.600 614 HB2 PHE 83 HB2 PHE 83 7.959 5.658 1.134 615 HB3 PHE 83 HB3 PHE 83 7.845 4.268 2.193 616 HD1 PHE 83 HD1 PHE 83 5.634 3.267 2.820 617 HD2 PHE 83 HD2 PHE 83 6.042 6.270 -0.259 618 HE1 PHE 83 HE1 PHE 83 3.340 2.754 1.982 619 HE2 PHE 83 HE2 PHE 83 3.793 5.732 -1.062 620 HZ PHE 83 HZ PHE 83 2.420 4.002 0.098 621 H THR 84 HN THR 84 9.771 5.989 2.894 622 HA THR 84 HA THR 84 11.610 5.531 4.025 623 HB THR 84 HB THR 84 10.134 5.628 6.648 624 HG1 THR 84 HG1 THR 84 9.627 7.526 5.854 625 HG21 THR 84 HG21 THR 84 12.995 6.401 5.896 626 HG22 THR 84 HG22 THR 84 12.522 4.954 6.821 627 HG23 THR 84 HG23 THR 84 12.244 6.550 7.490 628 H TRP 85 HN TRP 85 12.815 3.815 4.865 629 HA TRP 85 HA TRP 85 11.691 1.304 4.123 630 HB2 TRP 85 HB2 TRP 85 14.294 1.988 5.501 631 HB3 TRP 85 HB3 TRP 85 13.884 0.435 4.830 632 HD1 TRP 85 HD1 TRP 85 16.178 2.806 3.977 633 HE1 TRP 85 HE1 TRP 85 16.534 3.165 1.468 634 HE3 TRP 85 HE3 TRP 85 12.073 0.303 2.249 635 HZ2 TRP 85 HZ2 TRP 85 15.351 2.167 -0.999 636 HZ3 TRP 85 HZ3 TRP 85 11.843 -0.184 -0.152 637 HH2 TRP 85 HH2 TRP 85 13.512 0.675 -1.777 638 H ASP 86 HN ASP 86 12.116 2.768 7.338 639 HA ASP 86 HA ASP 86 11.797 0.272 8.779 640 HB2 ASP 86 HB2 ASP 86 12.765 2.714 9.402 641 HB3 ASP 86 HB3 ASP 86 11.182 2.829 10.151 642 H TYR 87 HN TYR 87 9.770 1.778 6.884 643 HA TYR 87 HA TYR 87 7.251 0.884 8.266 644 HB2 TYR 87 HB2 TYR 87 7.490 3.344 7.866 645 HB3 TYR 87 HB3 TYR 87 7.625 3.001 6.153 646 HD1 TYR 87 HD2 TYR 87 5.283 2.006 8.967 647 HD2 TYR 87 HD1 TYR 87 5.739 3.563 4.978 648 HE1 TYR 87 HE2 TYR 87 2.862 2.368 8.845 649 HE2 TYR 87 HE1 TYR 87 3.288 3.812 4.782 650 HH TYR 87 HH TYR 87 1.146 3.697 7.547 651 H LEU 88 HN LEU 88 8.841 1.240 5.019 652 HA LEU 88 HA LEU 88 6.904 -0.210 3.602 653 HB2 LEU 88 HB2 LEU 88 9.805 0.446 3.109 654 HB3 LEU 88 HB3 LEU 88 9.002 -0.664 2.000 655 HG LEU 88 HG LEU 88 7.806 2.041 2.674 656 HD11 LEU 88 HD11 LEU 88 8.781 2.841 0.544 657 HD12 LEU 88 HD12 LEU 88 9.700 1.327 0.396 658 HD13 LEU 88 HD13 LEU 88 10.031 2.445 1.737 659 HD21 LEU 88 HD21 LEU 88 6.252 0.412 1.632 660 HD22 LEU 88 HD22 LEU 88 7.415 0.143 0.312 661 HD23 LEU 88 HD23 LEU 88 6.629 1.723 0.519 662 H TYR 89 HN TYR 89 9.729 -1.622 5.263 663 HA TYR 89 HA TYR 89 9.119 -4.286 4.142 664 HB2 TYR 89 HB2 TYR 89 11.313 -2.975 5.440 665 HB3 TYR 89 HB3 TYR 89 10.843 -4.363 6.366 666 HD1 TYR 89 HD2 TYR 89 10.027 -6.210 3.742 667 HD2 TYR 89 HD1 TYR 89 13.393 -3.737 4.862 668 HE1 TYR 89 HE2 TYR 89 11.450 -7.421 2.253 669 HE2 TYR 89 HE1 TYR 89 14.823 -4.940 3.337 670 HH TYR 89 HH TYR 89 13.974 -8.102 2.202 671 H GLU 90 HN GLU 90 8.506 -2.442 7.123 672 HA GLU 90 HA GLU 90 7.319 -4.411 8.665 673 HB2 GLU 90 HB2 GLU 90 7.666 -1.714 8.932 674 HB3 GLU 90 HB3 GLU 90 5.979 -1.709 8.473 675 HG2 GLU 90 HG2 GLU 90 5.698 -1.845 10.704 676 HG3 GLU 90 HG3 GLU 90 5.777 -3.581 10.371 677 H LEU 91 HN LEU 91 5.735 -2.244 6.296 678 HA LEU 91 HA LEU 91 3.172 -3.371 6.233 679 HB2 LEU 91 HB2 LEU 91 4.815 -2.120 3.975 680 HB3 LEU 91 HB3 LEU 91 3.099 -2.428 3.856 681 HG LEU 91 HG LEU 91 4.287 -0.524 5.912 682 HD11 LEU 91 HD11 LEU 91 3.362 1.238 4.319 683 HD12 LEU 91 HD12 LEU 91 3.225 -0.034 3.105 684 HD13 LEU 91 HD13 LEU 91 4.813 0.398 3.768 685 HD21 LEU 91 HD21 LEU 91 2.129 -1.340 6.558 686 HD22 LEU 91 HD22 LEU 91 1.441 -0.957 4.967 687 HD23 LEU 91 HD23 LEU 91 1.994 0.343 6.051 688 H ALA 92 HN ALA 92 6.094 -4.767 4.947 689 HA ALA 92 HA ALA 92 4.923 -6.467 2.929 690 HB1 ALA 92 HB1 ALA 92 7.503 -7.063 4.433 691 HB2 ALA 92 HB2 ALA 92 7.069 -7.432 2.772 692 HB3 ALA 92 HB3 ALA 92 7.407 -5.749 3.242 693 H THR 93 HN THR 93 6.125 -7.007 6.244 694 HA THR 93 HA THR 93 5.019 -9.733 6.249 695 HB THR 93 HB THR 93 7.078 -9.631 7.297 696 HG1 THR 93 HG1 THR 93 5.834 -10.857 8.569 697 HG21 THR 93 HG21 THR 93 7.458 -7.328 7.644 698 HG22 THR 93 HG22 THR 93 7.677 -8.158 9.176 699 HG23 THR 93 HG23 THR 93 6.187 -7.229 8.894 700 H ARG 94 HN ARG 94 4.021 -6.581 7.270 701 HA ARG 94 HA ARG 94 1.877 -7.411 9.027 702 HB2 ARG 94 HB2 ARG 94 2.641 -4.834 7.615 703 HB3 ARG 94 HB3 ARG 94 1.342 -4.921 8.787 704 HG2 ARG 94 HG2 ARG 94 4.099 -5.892 9.592 705 HG3 ARG 94 HG3 ARG 94 3.769 -4.179 9.534 706 HD2 ARG 94 HD2 ARG 94 2.017 -6.243 10.881 707 HD3 ARG 94 HD3 ARG 94 3.301 -5.432 11.763 708 HE ARG 94 HE ARG 94 0.669 -4.536 11.269 709 HH11 ARG 94 HH11 ARG 94 3.967 -3.309 11.878 710 HH12 ARG 94 HH12 ARG 94 3.381 -1.663 12.140 711 HH21 ARG 94 HH21 ARG 94 -0.024 -2.522 11.951 712 HH22 ARG 94 HH22 ARG 94 1.104 -1.233 12.293 713 H LYS 95 HN LYS 95 2.009 -7.696 5.643 714 HA LYS 95 HA LYS 95 -0.175 -6.106 4.915 715 HB2 LYS 95 HB2 LYS 95 1.314 -6.965 3.235 716 HB3 LYS 95 HB3 LYS 95 0.797 -8.628 3.489 717 HG2 LYS 95 HG2 LYS 95 -1.444 -8.183 2.814 718 HG3 LYS 95 HG3 LYS 95 -1.134 -6.459 2.635 719 HD2 LYS 95 HD2 LYS 95 -0.370 -6.708 0.550 720 HD3 LYS 95 HD3 LYS 95 0.749 -7.979 1.033 721 HE2 LYS 95 HE2 LYS 95 -0.884 -8.664 -0.711 722 HE3 LYS 95 HE3 LYS 95 -0.758 -9.708 0.691 723 HZ1 LYS 95 HZ1 LYS 95 -3.067 -9.120 -0.175 724 HZ2 LYS 95 HZ2 LYS 95 -2.903 -7.698 0.625 725 HZ3 LYS 95 HZ3 LYS 95 -2.795 -9.130 1.446 726 H ASP 96 HN ASP 96 -0.200 -9.527 5.831 727 HA ASP 96 HA ASP 96 -2.871 -9.979 5.115 728 HB2 ASP 96 HB2 ASP 96 -1.362 -11.791 5.864 729 HB3 ASP 96 HB3 ASP 96 -1.570 -11.259 7.545 730 H GLN 97 HN GLN 97 -1.740 -8.886 8.350 731 HA GLN 97 HA GLN 97 -4.309 -8.575 9.483 732 HB2 GLN 97 HB2 GLN 97 -2.257 -8.705 10.790 733 HB3 GLN 97 HB3 GLN 97 -1.659 -7.206 10.072 734 HG2 GLN 97 HG2 GLN 97 -2.492 -6.895 12.362 735 HG3 GLN 97 HG3 GLN 97 -3.328 -5.881 11.197 736 HE21 GLN 97 HE21 GLN 97 -5.586 -6.563 10.498 737 HE22 GLN 97 HE22 GLN 97 -6.545 -7.497 11.602 738 H LEU 98 HN LEU 98 -2.130 -6.066 8.032 739 HA LEU 98 HA LEU 98 -3.886 -3.884 8.357 740 HB2 LEU 98 HB2 LEU 98 -1.576 -4.586 6.535 741 HB3 LEU 98 HB3 LEU 98 -2.543 -3.251 6.085 742 HG LEU 98 HG LEU 98 -1.982 -1.979 7.998 743 HD11 LEU 98 HD11 LEU 98 -0.840 -4.499 9.242 744 HD12 LEU 98 HD12 LEU 98 -2.250 -3.572 9.793 745 HD13 LEU 98 HD13 LEU 98 -0.655 -2.840 9.886 746 HD21 LEU 98 HD21 LEU 98 -0.151 -2.174 6.364 747 HD22 LEU 98 HD22 LEU 98 0.478 -3.604 7.205 748 HD23 LEU 98 HD23 LEU 98 0.505 -2.027 8.013 749 H TRP 99 HN TRP 99 -3.716 -6.302 5.812 750 HA TRP 99 HA TRP 99 -5.521 -4.928 4.067 751 HB2 TRP 99 HB2 TRP 99 -3.832 -6.661 3.390 752 HB3 TRP 99 HB3 TRP 99 -4.843 -7.894 4.147 753 HD1 TRP 99 HD1 TRP 99 -6.065 -9.148 2.343 754 HE1 TRP 99 HE1 TRP 99 -6.771 -8.694 -0.105 755 HE3 TRP 99 HE3 TRP 99 -5.425 -4.044 2.247 756 HZ2 TRP 99 HZ2 TRP 99 -7.227 -6.368 -1.771 757 HZ3 TRP 99 HZ3 TRP 99 -6.014 -2.755 0.240 758 HH2 TRP 99 HH2 TRP 99 -6.976 -3.872 -1.721 759 H ALA 100 HN ALA 100 -5.986 -7.712 6.354 760 HA ALA 100 HA ALA 100 -8.741 -7.933 5.816 761 HB1 ALA 100 HB1 ALA 100 -7.422 -9.628 7.076 762 HB2 ALA 100 HB2 ALA 100 -7.209 -8.478 8.418 763 HB3 ALA 100 HB3 ALA 100 -8.826 -9.102 8.031 764 H ASP 101 HN ASP 101 -6.953 -5.834 8.079 765 HA ASP 101 HA ASP 101 -9.134 -4.646 9.476 766 HB2 ASP 101 HB2 ASP 101 -6.833 -4.642 10.247 767 HB3 ASP 101 HB3 ASP 101 -6.306 -3.715 8.851 768 H TYR 102 HN TYR 102 -7.364 -3.587 6.519 769 HA TYR 102 HA TYR 102 -9.055 -1.305 6.052 770 HB2 TYR 102 HB2 TYR 102 -6.882 -2.718 4.598 771 HB3 TYR 102 HB3 TYR 102 -8.098 -2.070 3.531 772 HD1 TYR 102 HD1 TYR 102 -9.030 0.345 4.309 773 HD2 TYR 102 HD2 TYR 102 -5.107 -1.242 5.038 774 HE1 TYR 102 HE1 TYR 102 -8.156 2.672 4.555 775 HE2 TYR 102 HE2 TYR 102 -4.209 1.130 5.230 776 HH TYR 102 HH TYR 102 -6.099 3.830 4.234 777 H LEU 103 HN LEU 103 -9.411 -4.684 5.270 778 HA LEU 103 HA LEU 103 -11.572 -4.300 3.330 779 HB2 LEU 103 HB2 LEU 103 -10.360 -6.631 4.826 780 HB3 LEU 103 HB3 LEU 103 -11.933 -6.811 4.080 781 HG LEU 103 HG LEU 103 -11.119 -6.840 1.964 782 HD11 LEU 103 HD11 LEU 103 -8.725 -5.109 2.695 783 HD12 LEU 103 HD12 LEU 103 -10.110 -4.648 1.707 784 HD13 LEU 103 HD13 LEU 103 -8.968 -5.830 1.122 785 HD21 LEU 103 HD21 LEU 103 -10.028 -8.657 3.227 786 HD22 LEU 103 HD22 LEU 103 -8.585 -7.645 3.414 787 HD23 LEU 103 HD23 LEU 103 -9.101 -8.171 1.801 788 H ALA 104 HN ALA 104 -11.299 -4.975 6.840 789 HA ALA 104 HA ALA 104 -14.077 -5.147 7.371 790 HB1 ALA 104 HB1 ALA 104 -13.448 -4.635 9.674 791 HB2 ALA 104 HB2 ALA 104 -12.295 -5.785 8.956 792 HB3 ALA 104 HB3 ALA 104 -11.850 -4.076 9.145 793 H GLU 105 HN GLU 105 -11.876 -2.291 7.380 794 HA GLU 105 HA GLU 105 -13.703 -0.282 7.927 795 HB2 GLU 105 HB2 GLU 105 -11.181 -0.465 6.303 796 HB3 GLU 105 HB3 GLU 105 -12.126 0.994 6.169 797 HG2 GLU 105 HG2 GLU 105 -11.577 0.047 8.959 798 HG3 GLU 105 HG3 GLU 105 -10.180 0.556 8.025 799 H LEU 106 HN LEU 106 -12.860 -1.488 4.617 800 HA LEU 106 HA LEU 106 -14.675 0.251 3.289 801 HB2 LEU 106 HB2 LEU 106 -12.639 -0.740 2.417 802 HB3 LEU 106 HB3 LEU 106 -13.249 -2.366 2.600 803 HG LEU 106 HG LEU 106 -13.158 -1.437 0.211 804 HD11 LEU 106 HD11 LEU 106 -15.038 -2.697 -0.402 805 HD12 LEU 106 HD12 LEU 106 -16.012 -2.156 0.973 806 HD13 LEU 106 HD13 LEU 106 -14.727 -3.313 1.238 807 HD21 LEU 106 HD21 LEU 106 -14.768 0.133 -0.492 808 HD22 LEU 106 HD22 LEU 106 -13.906 0.836 0.882 809 HD23 LEU 106 HD23 LEU 106 -15.542 0.180 1.102 810 H ALA 107 HN ALA 107 -15.017 -2.935 4.597 811 HA ALA 107 HA ALA 107 -17.667 -3.417 3.415 812 HB1 ALA 107 HB1 ALA 107 -17.603 -5.462 4.776 813 HB2 ALA 107 HB2 ALA 107 -16.069 -5.258 3.902 814 HB3 ALA 107 HB3 ALA 107 -16.173 -4.842 5.639 815 H SER 108 HN SER 108 -16.567 -1.538 6.043 816 HA SER 108 HA SER 108 -19.113 -1.707 7.548 817 HB2 SER 108 HB2 SER 108 -16.770 -1.703 8.618 818 HB3 SER 108 HB3 SER 108 -16.600 -0.047 8.057 819 HG SER 108 HG SER 108 -18.111 0.616 9.378 820 H ALA 109 HN ALA 109 -16.957 0.525 5.837 821 HA ALA 109 HA ALA 109 -18.499 2.856 6.086 822 HB1 ALA 109 HB1 ALA 109 -16.910 3.778 4.424 823 HB2 ALA 109 HB2 ALA 109 -16.066 2.778 5.607 824 HB3 ALA 109 HB3 ALA 109 -16.406 2.135 3.983 825 H GLY 110 HN GLY 110 -19.199 0.195 4.053 826 HA2 GLY 110 HA2 GLY 110 -20.839 -0.107 2.443 827 HA3 GLY 110 HA1 GLY 110 -21.448 1.499 2.838 828 H LYS 111 HN LYS 111 -18.220 0.455 1.575 829 HA LYS 111 HA LYS 111 -18.972 1.666 -1.027 830 HB2 LYS 111 HB2 LYS 111 -16.232 2.015 0.238 831 HB3 LYS 111 HB3 LYS 111 -16.783 2.660 -1.286 832 HG2 LYS 111 HG2 LYS 111 -17.926 3.497 1.426 833 HG3 LYS 111 HG3 LYS 111 -16.545 4.253 0.657 834 HD2 LYS 111 HD2 LYS 111 -17.945 4.751 -1.356 835 HD3 LYS 111 HD3 LYS 111 -19.369 4.157 -0.483 836 HE2 LYS 111 HE2 LYS 111 -19.302 5.860 1.106 837 HE3 LYS 111 HE3 LYS 111 -17.580 6.158 0.893 838 HZ1 LYS 111 HZ1 LYS 111 -18.952 7.897 0.029 839 HZ2 LYS 111 HZ2 LYS 111 -19.613 6.860 -1.106 840 HZ3 LYS 111 HZ3 LYS 111 -18.020 7.240 -1.167 841 H SER 112 HN SER 112 -16.884 0.957 -2.504 842 HA SER 112 HA SER 112 -16.251 -1.910 -2.029 843 HB2 SER 112 HB2 SER 112 -17.432 -0.565 -4.477 844 HB3 SER 112 HB3 SER 112 -16.450 -2.029 -4.603 845 HG SER 112 HG SER 112 -18.026 -3.141 -3.975 846 H ARG 113 HN ARG 113 -14.414 -2.649 -3.170 847 HA ARG 113 HA ARG 113 -12.225 -0.724 -3.343 848 HB2 ARG 113 HB2 ARG 113 -12.423 -3.505 -4.562 849 HB3 ARG 113 HB3 ARG 113 -10.989 -2.512 -4.364 850 HG2 ARG 113 HG2 ARG 113 -11.455 -2.698 -1.811 851 HG3 ARG 113 HG3 ARG 113 -12.564 -4.016 -2.259 852 HD2 ARG 113 HD2 ARG 113 -10.722 -5.022 -3.675 853 HD3 ARG 113 HD3 ARG 113 -9.628 -3.787 -3.065 854 HE ARG 113 HE ARG 113 -9.482 -4.765 -1.102 855 HH11 ARG 113 HH11 ARG 113 -11.847 -6.546 -3.041 856 HH12 ARG 113 HH12 ARG 113 -11.308 -8.120 -2.586 857 HH21 ARG 113 HH21 ARG 113 -8.988 -7.022 -0.190 858 HH22 ARG 113 HH22 ARG 113 -9.985 -8.348 -0.736 859 H ASP 114 HN ASP 114 -14.496 -2.303 -5.577 860 HA ASP 114 HA ASP 114 -13.359 -1.139 -7.989 861 HB2 ASP 114 HB2 ASP 114 -15.336 -3.081 -7.328 862 HB3 ASP 114 HB3 ASP 114 -16.170 -1.805 -8.201 863 HA PRO 115 HA PRO 115 -15.116 2.798 -7.874 864 HB2 PRO 115 HB2 PRO 115 -15.553 3.382 -10.567 865 HB3 PRO 115 HB3 PRO 115 -13.935 3.290 -9.804 866 HG2 PRO 115 HG2 PRO 115 -15.294 1.183 -11.465 867 HG3 PRO 115 HG3 PRO 115 -13.576 1.661 -11.424 868 HD2 PRO 115 HD2 PRO 115 -14.860 -0.454 -10.149 869 HD3 PRO 115 HD3 PRO 115 -13.268 0.174 -9.610 870 H ASP 116 HN ASP 116 -17.055 0.526 -9.796 871 HA ASP 116 HA ASP 116 -19.482 1.777 -8.630 872 HB2 ASP 116 HB2 ASP 116 -18.864 2.761 -10.920 873 HB3 ASP 116 HB3 ASP 116 -19.379 1.229 -11.607 874 H GLU 117 HN GLU 117 -18.754 -0.308 -7.445 875 HA GLU 117 HA GLU 117 -19.842 -2.723 -8.581 876 HB2 GLU 117 HB2 GLU 117 -18.047 -1.933 -6.430 877 HB3 GLU 117 HB3 GLU 117 -19.425 -2.821 -5.724 878 HG2 GLU 117 HG2 GLU 117 -18.970 -4.411 -7.757 879 HG3 GLU 117 HG3 GLU 117 -17.388 -3.761 -7.699 880 H SER 118 HN SER 118 -21.477 -3.996 -7.479 881 HA SER 118 HA SER 118 -23.809 -2.405 -6.827 882 HB2 SER 118 HB2 SER 118 -23.565 -5.409 -7.177 883 HB3 SER 118 HB3 SER 118 -24.984 -4.405 -7.470 884 HG SER 118 HG SER 118 -23.536 -3.468 -9.264 885 H VAL 119 HN VAL 119 -21.738 -2.913 -4.720 886 HA VAL 119 HA VAL 119 -23.094 -4.972 -3.049 887 HB VAL 119 HB VAL 119 -20.149 -4.268 -3.094 888 HG11 VAL 119 HG11 VAL 119 -19.928 -6.397 -1.850 889 HG12 VAL 119 HG12 VAL 119 -20.887 -5.213 -0.956 890 HG13 VAL 119 HG13 VAL 119 -21.707 -6.559 -1.794 891 HG21 VAL 119 HG21 VAL 119 -21.731 -6.552 -4.379 892 HG22 VAL 119 HG22 VAL 119 -20.830 -5.267 -5.205 893 HG23 VAL 119 HG23 VAL 119 -19.951 -6.462 -4.260 894 H VAL 120 HN VAL 120 -24.285 -4.139 -1.491 895 HA VAL 120 HA VAL 120 -23.038 -2.155 0.305 896 HB VAL 120 HB VAL 120 -24.747 -0.981 -0.918 897 HG11 VAL 120 HG11 VAL 120 -27.097 -1.555 -0.898 898 HG12 VAL 120 HG12 VAL 120 -26.172 -2.841 -1.676 899 HG13 VAL 120 HG13 VAL 120 -26.777 -3.056 -0.009 900 HG21 VAL 120 HG21 VAL 120 -24.488 -0.512 1.512 901 HG22 VAL 120 HG22 VAL 120 -26.128 -0.192 0.918 902 HG23 VAL 120 HG23 VAL 120 -25.800 -1.673 1.848 903 H LYS 121 HN LYS 121 -22.874 -2.809 2.314 904 HA LYS 121 HA LYS 121 -24.231 -5.279 3.281 905 HB2 LYS 121 HB2 LYS 121 -21.217 -4.845 3.046 906 HB3 LYS 121 HB3 LYS 121 -21.996 -6.180 3.902 907 HG2 LYS 121 HG2 LYS 121 -22.731 -7.228 1.962 908 HG3 LYS 121 HG3 LYS 121 -22.400 -5.822 0.932 909 HD2 LYS 121 HD2 LYS 121 -20.119 -6.090 0.956 910 HD3 LYS 121 HD3 LYS 121 -20.077 -6.942 2.477 911 HE2 LYS 121 HE2 LYS 121 -21.388 -8.208 0.044 912 HE3 LYS 121 HE3 LYS 121 -19.640 -8.255 0.294 913 HZ1 LYS 121 HZ1 LYS 121 -20.461 -10.184 1.250 914 HZ2 LYS 121 HZ2 LYS 121 -21.675 -9.414 2.084 915 HZ3 LYS 121 HZ3 LYS 121 -20.107 -9.208 2.513 916 H LEU 122 HN LEU 122 -25.115 -3.183 4.312 917 HA LEU 122 HA LEU 122 -25.346 -1.596 5.836 918 HB2 LEU 122 HB2 LEU 122 -22.906 -2.636 7.341 919 HB3 LEU 122 HB3 LEU 122 -23.908 -1.310 7.836 920 HG LEU 122 HG LEU 122 -24.489 -3.145 9.161 921 HD11 LEU 122 HD11 LEU 122 -26.881 -3.387 8.774 922 HD12 LEU 122 HD12 LEU 122 -26.706 -2.849 7.102 923 HD13 LEU 122 HD13 LEU 122 -26.388 -1.721 8.445 924 HD21 LEU 122 HD21 LEU 122 -23.694 -4.969 7.671 925 HD22 LEU 122 HD22 LEU 122 -25.189 -4.796 6.714 926 HD23 LEU 122 HD23 LEU 122 -25.278 -5.280 8.408 927 H MET 123 HN MET 123 -24.340 0.468 6.496 928 HA MET 123 HA MET 123 -22.008 1.340 4.937 929 HB2 MET 123 HB2 MET 123 -24.036 1.527 3.498 930 HB3 MET 123 HB3 MET 123 -24.790 2.564 4.696 931 HG2 MET 123 HG2 MET 123 -22.135 3.450 3.654 932 HG3 MET 123 HG3 MET 123 -23.436 3.398 2.480 933 HE1 MET 123 HE1 MET 123 -26.018 4.230 3.825 934 HE2 MET 123 HE2 MET 123 -26.020 5.997 3.955 935 HE3 MET 123 HE3 MET 123 -25.534 5.230 2.437 936 H LEU 124 HN LEU 124 -23.204 1.007 7.818 937 HA LEU 124 HA LEU 124 -23.370 2.026 9.783 938 HB2 LEU 124 HB2 LEU 124 -20.870 1.453 9.243 939 HB3 LEU 124 HB3 LEU 124 -20.657 3.194 9.170 940 HG LEU 124 HG LEU 124 -21.812 3.268 11.513 941 HD11 LEU 124 HD11 LEU 124 -21.195 0.289 11.290 942 HD12 LEU 124 HD12 LEU 124 -22.780 1.032 11.602 943 HD13 LEU 124 HD13 LEU 124 -21.492 1.124 12.814 944 HD21 LEU 124 HD21 LEU 124 -19.135 1.836 11.293 945 HD22 LEU 124 HD22 LEU 124 -19.730 2.776 12.678 946 HD23 LEU 124 HD23 LEU 124 -19.380 3.595 11.154
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