NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6694 | 1jdq | 5060 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -0.125 6.968 19.936 2 2H GLY 1 HT2 GLY 1 -1.813 7.026 20.009 3 3H GLY 1 HT3 GLY 1 -0.919 8.461 19.984 4 1HA GLY 1 HA1 GLY 1 -0.266 8.165 17.756 5 2HA GLY 1 HA2 GLY 1 -0.843 6.506 17.764 6 H SER 2 HN SER 2 -3.079 6.096 17.649 7 HA SER 2 HA SER 2 -4.795 8.405 17.070 8 1HB SER 2 HB1 SER 2 -3.851 6.474 15.147 9 2HB SER 2 HB2 SER 2 -5.605 6.361 15.301 10 HG SER 2 HG SER 2 -5.428 7.965 13.899 11 H SER 3 HN SER 3 -4.319 5.361 18.483 12 HA SER 3 HA SER 3 -7.147 4.760 18.768 13 1HB SER 3 HB2 SER 3 -5.316 3.005 18.431 14 2HB SER 3 HB1 SER 3 -4.864 3.310 20.108 15 HG SER 3 HG SER 3 -7.075 2.791 20.647 16 H HIS 4 HN HIS 4 -8.344 5.551 20.352 17 HA HIS 4 HA HIS 4 -7.079 6.149 22.935 18 1HB HIS 4 HB2 HIS 4 -7.666 8.159 21.279 19 2HB HIS 4 HB1 HIS 4 -9.262 7.945 21.991 20 HD2 HIS 4 HD2 HIS 4 -9.378 10.049 23.665 21 HE1 HIS 4 HE1 HIS 4 -5.718 9.313 25.661 22 HE2 HIS 4 HE2 HIS 4 -7.807 10.749 25.609 23 H HIS 5 HN HIS 5 -10.061 5.540 21.144 24 HA HIS 5 HA HIS 5 -11.161 4.257 23.547 25 1HB HIS 5 HB1 HIS 5 -12.250 6.550 22.075 26 2HB HIS 5 HB2 HIS 5 -13.406 5.241 22.298 27 HD2 HIS 5 HD2 HIS 5 -13.977 4.604 25.010 28 HE1 HIS 5 HE1 HIS 5 -12.429 8.276 26.438 29 HE2 HIS 5 HE2 HIS 5 -13.807 6.230 27.026 30 H HIS 6 HN HIS 6 -13.622 3.530 22.397 31 HA HIS 6 HA HIS 6 -12.918 1.157 21.063 32 1HB HIS 6 HB2 HIS 6 -15.580 2.571 21.311 33 2HB HIS 6 HB1 HIS 6 -15.386 0.958 20.632 34 HD2 HIS 6 HD2 HIS 6 -15.798 -0.958 22.437 35 HE1 HIS 6 HE1 HIS 6 -14.774 1.283 25.878 36 HE2 HIS 6 HE2 HIS 6 -15.605 -0.956 25.025 37 H HIS 7 HN HIS 7 -13.816 0.496 18.912 38 HA HIS 7 HA HIS 7 -12.930 2.377 16.916 39 1HB HIS 7 HB1 HIS 7 -13.844 -0.486 16.868 40 2HB HIS 7 HB2 HIS 7 -13.667 0.419 15.368 41 HD2 HIS 7 HD2 HIS 7 -11.341 -0.314 14.292 42 HE1 HIS 7 HE1 HIS 7 -9.068 -0.383 17.863 43 HE2 HIS 7 HE2 HIS 7 -8.998 -0.683 15.346 44 H HIS 8 HN HIS 8 -14.317 4.013 16.550 45 HA HIS 8 HA HIS 8 -17.011 3.297 15.627 46 1HB HIS 8 HB1 HIS 8 -17.749 5.524 16.701 47 2HB HIS 8 HB2 HIS 8 -17.510 4.139 17.761 48 HD2 HIS 8 HD2 HIS 8 -16.870 5.659 19.962 49 HE1 HIS 8 HE1 HIS 8 -13.385 7.365 18.269 50 HE2 HIS 8 HE2 HIS 8 -14.739 7.076 20.394 51 H HIS 9 HN HIS 9 -14.552 3.886 14.191 52 HA HIS 9 HA HIS 9 -14.977 6.537 13.069 53 1HB HIS 9 HB2 HIS 9 -12.969 4.575 12.009 54 2HB HIS 9 HB1 HIS 9 -12.881 6.333 12.069 55 HD2 HIS 9 HD2 HIS 9 -12.109 7.419 14.547 56 HE1 HIS 9 HE1 HIS 9 -10.824 3.699 16.102 57 HE2 HIS 9 HE2 HIS 9 -10.807 6.212 16.440 58 H SER 10 HN SER 10 -14.135 3.593 11.294 59 HA SER 10 HA SER 10 -16.038 4.308 9.224 60 1HB SER 10 HB1 SER 10 -13.547 3.004 9.261 61 2HB SER 10 HB2 SER 10 -14.717 1.774 8.786 62 HG SER 10 HG SER 10 -14.511 4.338 7.590 63 H SER 11 HN SER 11 -17.805 3.905 10.897 64 HA SER 11 HA SER 11 -18.427 1.148 11.461 65 1HB SER 11 HB2 SER 11 -20.686 2.850 11.894 66 2HB SER 11 HB1 SER 11 -19.650 2.075 13.092 67 HG SER 11 HG SER 11 -19.428 4.642 11.951 68 H GLY 12 HN GLY 12 -20.653 3.549 10.083 69 1HA GLY 12 HA2 GLY 12 -21.918 1.514 8.488 70 2HA GLY 12 HA1 GLY 12 -22.359 3.213 8.555 71 H LEU 13 HN LEU 13 -22.281 1.675 6.194 72 HA LEU 13 HA LEU 13 -19.854 2.182 4.766 73 1HB LEU 13 HB1 LEU 13 -22.210 0.673 4.365 74 2HB LEU 13 HB2 LEU 13 -22.105 1.797 3.025 75 HG LEU 13 HG LEU 13 -21.067 -0.336 2.463 76 1HD1 LEU 13 HD2 LEU 13 -18.652 1.313 2.703 77 2HD1 LEU 13 HD2 LEU 13 -20.039 2.121 1.974 78 3HD1 LEU 13 HD2 LEU 13 -19.423 0.623 1.275 79 1HD2 LEU 13 HD1 LEU 13 -19.128 -1.172 3.601 80 2HD2 LEU 13 HD1 LEU 13 -20.422 -0.947 4.778 81 3HD2 LEU 13 HD1 LEU 13 -19.108 0.223 4.680 82 H VAL 14 HN VAL 14 -19.441 4.383 4.886 83 HA VAL 14 HA VAL 14 -21.429 6.273 3.949 84 HB VAL 14 HB VAL 14 -19.555 7.951 4.321 85 1HG1 VAL 14 HG2 VAL 14 -19.839 6.738 6.942 86 2HG1 VAL 14 HG2 VAL 14 -21.361 6.779 6.053 87 3HG1 VAL 14 HG2 VAL 14 -20.463 8.271 6.332 88 1HG2 VAL 14 HG1 VAL 14 -18.201 5.894 5.987 89 2HG2 VAL 14 HG1 VAL 14 -17.549 7.351 5.237 90 3HG2 VAL 14 HG1 VAL 14 -17.867 5.920 4.256 91 HA PRO 15 HA PRO 15 -19.755 6.019 -0.193 92 1HB PRO 15 HB1 PRO 15 -21.645 7.455 -1.426 93 2HB PRO 15 HB2 PRO 15 -21.984 5.839 -0.794 94 1HG PRO 15 HG2 PRO 15 -22.682 8.510 0.345 95 2HG PRO 15 HG1 PRO 15 -23.632 7.014 0.327 96 1HD PRO 15 HD2 PRO 15 -22.139 7.943 2.479 97 2HD PRO 15 HD1 PRO 15 -22.687 6.270 2.257 98 H ARG 16 HN ARG 16 -19.110 8.257 1.863 99 HA ARG 16 HA ARG 16 -18.816 10.594 0.193 100 1HB ARG 16 HB1 ARG 16 -18.084 9.928 3.032 101 2HB ARG 16 HB2 ARG 16 -17.507 11.404 2.271 102 1HG ARG 16 HG2 ARG 16 -19.827 12.075 1.844 103 2HG ARG 16 HG1 ARG 16 -20.387 10.608 2.650 104 1HD ARG 16 HD2 ARG 16 -20.331 11.707 4.579 105 2HD ARG 16 HD1 ARG 16 -18.579 11.818 4.418 106 HE ARG 16 HE ARG 16 -19.012 13.949 3.193 107 1HH1 ARG 16 HH1 ARG 16 -21.346 12.697 5.459 108 2HH1 ARG 16 HH1 ARG 16 -22.028 14.249 5.809 109 1HH2 ARG 16 HH2 ARG 16 -19.904 15.994 3.650 110 2HH2 ARG 16 HH2 ARG 16 -21.209 16.123 4.781 111 H GLY 17 HN GLY 17 -17.410 8.100 -0.592 112 1HA GLY 17 HA2 GLY 17 -14.656 8.267 -0.036 113 2HA GLY 17 HA1 GLY 17 -15.368 7.478 -1.436 114 H SER 18 HN SER 18 -13.768 10.285 -0.239 115 HA SER 18 HA SER 18 -14.221 11.943 -2.519 116 1HB SER 18 HB1 SER 18 -12.815 12.139 0.022 117 2HB SER 18 HB2 SER 18 -11.885 12.853 -1.295 118 HG SER 18 HG SER 18 -13.347 14.376 -1.523 119 H HIS 19 HN HIS 19 -11.374 12.780 -2.737 120 HA HIS 19 HA HIS 19 -10.661 11.400 -5.033 121 1HB HIS 19 HB2 HIS 19 -9.335 13.301 -3.205 122 2HB HIS 19 HB1 HIS 19 -8.248 12.309 -4.170 123 HD2 HIS 19 HD2 HIS 19 -11.562 14.185 -5.246 124 HE1 HIS 19 HE1 HIS 19 -8.371 15.215 -7.829 125 HE2 HIS 19 HE2 HIS 19 -10.839 15.532 -7.343 126 H MET 20 HN MET 20 -9.019 11.141 -1.873 127 HA MET 20 HA MET 20 -7.662 8.742 -2.651 128 1HB MET 20 HB1 MET 20 -7.675 10.555 -0.343 129 2HB MET 20 HB2 MET 20 -7.413 8.869 0.081 130 1HG MET 20 HG2 MET 20 -5.312 10.044 -0.262 131 2HG MET 20 HG1 MET 20 -5.530 8.754 -1.442 132 1HE MET 20 HE1 MET 20 -3.938 11.551 -0.915 133 2HE MET 20 HE2 MET 20 -5.062 12.870 -1.241 134 3HE MET 20 HE3 MET 20 -3.825 12.454 -2.427 135 H ALA 21 HN ALA 21 -8.400 6.735 -2.552 136 HA ALA 21 HA ALA 21 -10.991 6.168 -1.454 137 1HB ALA 21 HB1 ALA 21 -10.270 3.765 -2.132 138 2HB ALA 21 HB2 ALA 21 -8.933 4.587 -2.935 139 3HB ALA 21 HB3 ALA 21 -10.596 4.964 -3.383 140 H LYS 22 HN LYS 22 -11.512 5.003 0.348 141 HA LYS 22 HA LYS 22 -9.469 4.814 2.388 142 1HB LYS 22 HB1 LYS 22 -12.449 4.339 2.403 143 2HB LYS 22 HB2 LYS 22 -11.434 4.055 3.810 144 1HG LYS 22 HG2 LYS 22 -11.175 6.700 2.533 145 2HG LYS 22 HG1 LYS 22 -12.707 6.362 3.343 146 1HD LYS 22 HD1 LYS 22 -11.769 6.349 5.402 147 2HD LYS 22 HD2 LYS 22 -10.266 5.623 4.828 148 1HE LYS 22 HE2 LYS 22 -9.322 7.629 4.986 149 2HE LYS 22 HE1 LYS 22 -10.353 8.154 3.655 150 1HZ LYS 22 HZ1 LYS 22 -11.415 8.181 6.396 151 2HZ LYS 22 HZ2 LYS 22 -11.832 9.151 5.074 152 3HZ LYS 22 HZ3 LYS 22 -10.381 9.425 5.899 153 H TYR 23 HN TYR 23 -8.302 3.130 1.112 154 HA TYR 23 HA TYR 23 -9.440 0.511 0.907 155 1HB TYR 23 HB2 TYR 23 -6.867 1.800 0.259 156 2HB TYR 23 HB1 TYR 23 -6.750 0.100 0.703 157 HD1 TYR 23 HD1 TYR 23 -8.691 2.372 -1.534 158 HD2 TYR 23 HD2 TYR 23 -7.071 -1.515 -0.929 159 HE1 TYR 23 HE1 TYR 23 -9.381 1.736 -3.807 160 HE2 TYR 23 HE2 TYR 23 -7.757 -2.161 -3.201 161 HH TYR 23 HH TYR 23 -9.954 -0.601 -4.971 162 H GLN 24 HN GLN 24 -8.327 -1.403 1.929 163 HA GLN 24 HA GLN 24 -8.230 -0.969 4.790 164 1HB GLN 24 HB2 GLN 24 -8.978 -3.108 3.079 165 2HB GLN 24 HB1 GLN 24 -7.651 -3.680 4.082 166 1HG GLN 24 HG2 GLN 24 -9.049 -3.990 5.758 167 2HG GLN 24 HG1 GLN 24 -9.435 -2.270 5.760 168 1HE2 GLN 24 HE2 GLN 24 -11.575 -2.365 6.148 169 2HE2 GLN 24 HE2 GLN 24 -12.724 -3.123 5.104 170 H VAL 25 HN VAL 25 -6.168 0.343 4.294 171 HA VAL 25 HA VAL 25 -3.774 -1.226 3.891 172 HB VAL 25 HB VAL 25 -3.997 1.671 4.712 173 1HG1 VAL 25 HG2 VAL 25 -1.799 1.194 5.107 174 2HG1 VAL 25 HG2 VAL 25 -1.710 1.575 3.387 175 3HG1 VAL 25 HG2 VAL 25 -1.753 -0.107 3.918 176 1HG2 VAL 25 HG1 VAL 25 -4.134 0.339 2.044 177 2HG2 VAL 25 HG1 VAL 25 -3.415 1.944 2.187 178 3HG2 VAL 25 HG1 VAL 25 -5.087 1.679 2.680 179 H THR 26 HN THR 26 -2.167 -1.623 5.415 180 HA THR 26 HA THR 26 -3.104 -1.576 8.190 181 HB THR 26 HB THR 26 -0.601 -2.999 7.512 182 HG1 THR 26 HG1 THR 26 -1.637 -4.639 6.441 183 1HG2 THR 26 HG2 THR 26 -2.518 -4.702 8.650 184 2HG2 THR 26 HG2 THR 26 -2.642 -3.155 9.489 185 3HG2 THR 26 HG2 THR 26 -1.093 -3.996 9.413 186 H LYS 27 HN LYS 27 0.076 -1.264 6.583 187 HA LYS 27 HA LYS 27 0.708 0.865 8.520 188 1HB LYS 27 HB2 LYS 27 2.054 -1.565 8.029 189 2HB LYS 27 HB1 LYS 27 3.072 -0.291 7.371 190 1HG LYS 27 HG2 LYS 27 2.154 0.574 9.901 191 2HG LYS 27 HG1 LYS 27 2.727 -1.086 10.075 192 1HD LYS 27 HD2 LYS 27 4.842 -0.449 8.990 193 2HD LYS 27 HD1 LYS 27 4.267 1.216 8.879 194 1HE LYS 27 HE1 LYS 27 5.495 1.335 10.806 195 2HE LYS 27 HE2 LYS 27 3.912 0.925 11.464 196 1HZ LYS 27 HZ1 LYS 27 5.770 -0.408 12.381 197 2HZ LYS 27 HZ2 LYS 27 6.013 -1.078 10.847 198 3HZ LYS 27 HZ3 LYS 27 4.556 -1.344 11.666 199 H THR 28 HN THR 28 2.540 2.305 7.701 200 HA THR 28 HA THR 28 2.334 2.777 4.814 201 HB THR 28 HB THR 28 2.029 4.909 6.941 202 HG1 THR 28 HG1 THR 28 0.237 3.308 5.860 203 1HG2 THR 28 HG2 THR 28 2.303 5.072 3.984 204 2HG2 THR 28 HG2 THR 28 2.983 6.107 5.241 205 3HG2 THR 28 HG2 THR 28 1.270 6.222 4.833 206 H LEU 29 HN LEU 29 4.244 3.197 3.873 207 HA LEU 29 HA LEU 29 6.550 3.659 5.632 208 1HB LEU 29 HB1 LEU 29 6.413 1.611 4.090 209 2HB LEU 29 HB2 LEU 29 6.687 2.740 2.775 210 HG LEU 29 HG LEU 29 8.777 3.463 4.064 211 1HD1 LEU 29 HD2 LEU 29 9.658 1.425 5.407 212 2HD1 LEU 29 HD2 LEU 29 7.948 1.039 5.596 213 3HD1 LEU 29 HD2 LEU 29 8.573 2.579 6.184 214 1HD2 LEU 29 HD1 LEU 29 9.806 1.051 3.354 215 2HD2 LEU 29 HD1 LEU 29 9.477 2.373 2.234 216 3HD2 LEU 29 HD1 LEU 29 8.300 1.075 2.436 217 H ASP 30 HN ASP 30 7.171 5.699 5.726 218 HA ASP 30 HA ASP 30 7.049 7.321 3.267 219 1HB ASP 30 HB2 ASP 30 6.985 9.266 5.044 220 2HB ASP 30 HB1 ASP 30 5.508 8.419 4.595 221 H VAL 31 HN VAL 31 8.959 7.968 2.531 222 HA VAL 31 HA VAL 31 11.178 8.263 4.448 223 HB VAL 31 HB VAL 31 11.909 7.484 1.694 224 1HG1 VAL 31 HG2 VAL 31 13.814 7.453 2.866 225 2HG1 VAL 31 HG2 VAL 31 13.257 5.890 3.464 226 3HG1 VAL 31 HG2 VAL 31 12.970 7.351 4.411 227 1HG2 VAL 31 HG1 VAL 31 11.603 5.047 2.301 228 2HG2 VAL 31 HG1 VAL 31 10.136 5.935 1.891 229 3HG2 VAL 31 HG1 VAL 31 10.520 5.598 3.579 230 H ARG 32 HN ARG 32 9.669 10.419 3.826 231 HA ARG 32 HA ARG 32 10.585 11.862 1.554 232 1HB ARG 32 HB1 ARG 32 9.506 13.240 3.980 233 2HB ARG 32 HB2 ARG 32 9.238 13.606 2.282 234 1HG ARG 32 HG1 ARG 32 7.601 12.002 2.054 235 2HG ARG 32 HG2 ARG 32 8.194 11.054 3.421 236 1HD ARG 32 HD2 ARG 32 6.931 13.779 3.675 237 2HD ARG 32 HD1 ARG 32 6.047 12.263 3.845 238 HE ARG 32 HE ARG 32 8.057 11.982 5.619 239 1HH1 ARG 32 HH2 ARG 32 5.734 14.517 5.060 240 2HH1 ARG 32 HH2 ARG 32 5.692 15.020 6.716 241 1HH2 ARG 32 HH1 ARG 32 8.009 12.637 7.803 242 2HH2 ARG 32 HH1 ARG 32 6.986 13.952 8.275 243 H GLY 33 HN GLY 33 10.818 13.598 4.527 244 1HA GLY 33 HA1 GLY 33 13.534 14.362 3.925 245 2HA GLY 33 HA2 GLY 33 12.556 14.947 5.264 246 H GLU 34 HN GLU 34 14.557 12.277 4.139 247 HA GLU 34 HA GLU 34 14.612 11.035 6.745 248 1HB GLU 34 HB2 GLU 34 15.888 9.309 5.737 249 2HB GLU 34 HB1 GLU 34 14.690 9.786 4.541 250 1HG GLU 34 HG2 GLU 34 16.260 10.827 3.192 251 2HG GLU 34 HG1 GLU 34 17.426 10.989 4.505 252 H VAL 35 HN VAL 35 16.703 10.481 7.771 253 HA VAL 35 HA VAL 35 18.768 12.521 7.405 254 HB VAL 35 HB VAL 35 18.673 11.979 10.157 255 1HG1 VAL 35 HG2 VAL 35 19.570 14.005 9.656 256 2HG1 VAL 35 HG2 VAL 35 17.928 14.523 10.037 257 3HG1 VAL 35 HG2 VAL 35 18.420 14.315 8.355 258 1HG2 VAL 35 HG1 VAL 35 16.440 11.433 10.277 259 2HG2 VAL 35 HG1 VAL 35 16.015 12.462 8.909 260 3HG2 VAL 35 HG1 VAL 35 16.373 13.185 10.478 261 H CYS 36 HN CYS 36 18.605 10.305 10.059 262 HA CYS 36 HA CYS 36 21.147 9.179 9.529 263 1HB CYS 36 HB1 CYS 36 20.085 7.397 11.251 264 2HB CYS 36 HB2 CYS 36 20.721 8.959 11.758 265 HG CYS 36 HG CYS 36 17.677 8.437 11.376 266 HA PRO 37 HA PRO 37 20.150 5.823 6.832 267 1HB PRO 37 HB2 PRO 37 21.777 3.832 7.632 268 2HB PRO 37 HB1 PRO 37 22.395 5.305 6.878 269 1HG PRO 37 HG2 PRO 37 22.279 4.566 9.779 270 2HG PRO 37 HG1 PRO 37 23.602 5.322 8.870 271 1HD PRO 37 HD2 PRO 37 21.875 6.730 10.438 272 2HD PRO 37 HD1 PRO 37 22.663 7.414 9.003 273 H VAL 38 HN VAL 38 18.835 5.910 9.717 274 HA VAL 38 HA VAL 38 18.238 3.233 10.378 275 HB VAL 38 HB VAL 38 16.462 5.588 10.991 276 1HG1 VAL 38 HG2 VAL 38 15.397 4.244 12.427 277 2HG1 VAL 38 HG2 VAL 38 16.899 3.529 13.014 278 3HG1 VAL 38 HG2 VAL 38 16.149 2.920 11.538 279 1HG2 VAL 38 HG1 VAL 38 18.817 4.666 12.629 280 2HG2 VAL 38 HG1 VAL 38 17.789 6.071 12.909 281 3HG2 VAL 38 HG1 VAL 38 18.873 6.035 11.519 282 HA PRO 39 HA PRO 39 13.983 4.068 8.004 283 1HB PRO 39 HB1 PRO 39 15.073 5.919 5.946 284 2HB PRO 39 HB2 PRO 39 13.481 5.898 6.713 285 1HG PRO 39 HG1 PRO 39 15.298 7.720 7.400 286 2HG PRO 39 HG2 PRO 39 14.239 6.984 8.617 287 1HD PRO 39 HD2 PRO 39 17.116 6.443 8.026 288 2HD PRO 39 HD1 PRO 39 16.271 6.476 9.586 289 H ASP 40 HN ASP 40 17.170 4.094 6.514 290 HA ASP 40 HA ASP 40 16.510 2.712 4.146 291 1HB ASP 40 HB2 ASP 40 18.857 3.737 5.359 292 2HB ASP 40 HB1 ASP 40 19.162 2.036 5.023 293 H VAL 41 HN VAL 41 17.794 1.562 7.258 294 HA VAL 41 HA VAL 41 17.757 -1.186 6.565 295 HB VAL 41 HB VAL 41 17.503 -0.176 9.384 296 1HG1 VAL 41 HG2 VAL 41 19.089 -2.133 9.735 297 2HG1 VAL 41 HG2 VAL 41 18.709 -2.598 8.078 298 3HG1 VAL 41 HG2 VAL 41 17.428 -2.524 9.289 299 1HG2 VAL 41 HG1 VAL 41 20.210 -0.454 8.912 300 2HG2 VAL 41 HG1 VAL 41 19.332 1.065 9.085 301 3HG2 VAL 41 HG1 VAL 41 19.621 0.391 7.481 302 H GLU 42 HN GLU 42 15.312 1.018 7.537 303 HA GLU 42 HA GLU 42 13.482 -0.788 8.714 304 1HB GLU 42 HB1 GLU 42 13.348 1.679 8.941 305 2HB GLU 42 HB2 GLU 42 12.899 1.791 7.245 306 1HG GLU 42 HG2 GLU 42 10.811 0.846 7.604 307 2HG GLU 42 HG1 GLU 42 11.292 0.132 9.143 308 H THR 43 HN THR 43 13.457 0.665 5.447 309 HA THR 43 HA THR 43 11.377 -0.869 4.419 310 HB THR 43 HB THR 43 12.442 1.160 3.357 311 HG1 THR 43 HG1 THR 43 11.392 -1.018 2.199 312 1HG2 THR 43 HG2 THR 43 14.273 0.930 1.869 313 2HG2 THR 43 HG2 THR 43 14.376 -0.805 2.170 314 3HG2 THR 43 HG2 THR 43 14.789 0.337 3.449 315 H LYS 44 HN LYS 44 14.782 -1.613 4.785 316 HA LYS 44 HA LYS 44 14.972 -3.845 3.125 317 1HB LYS 44 HB1 LYS 44 16.434 -2.825 5.490 318 2HB LYS 44 HB2 LYS 44 16.624 -4.541 5.156 319 1HG LYS 44 HG1 LYS 44 16.942 -2.701 2.867 320 2HG LYS 44 HG2 LYS 44 18.200 -2.667 4.104 321 1HD LYS 44 HD2 LYS 44 17.847 -5.346 3.753 322 2HD LYS 44 HD1 LYS 44 17.556 -4.732 2.123 323 1HE LYS 44 HE1 LYS 44 19.720 -3.390 2.465 324 2HE LYS 44 HE2 LYS 44 20.020 -4.483 3.814 325 1HZ LYS 44 HZ1 LYS 44 20.709 -4.949 1.242 326 2HZ LYS 44 HZ2 LYS 44 19.276 -5.836 1.390 327 3HZ LYS 44 HZ3 LYS 44 20.567 -6.133 2.441 328 H ARG 45 HN ARG 45 13.860 -3.564 6.472 329 HA ARG 45 HA ARG 45 13.477 -6.319 6.945 330 1HB ARG 45 HB1 ARG 45 13.562 -4.561 8.692 331 2HB ARG 45 HB2 ARG 45 11.970 -4.024 8.172 332 1HG ARG 45 HG1 ARG 45 11.318 -5.407 9.842 333 2HG ARG 45 HG2 ARG 45 11.427 -6.595 8.540 334 1HD ARG 45 HD1 ARG 45 12.851 -7.743 9.782 335 2HD ARG 45 HD2 ARG 45 14.004 -6.421 9.585 336 HE ARG 45 HE ARG 45 12.374 -6.987 11.921 337 1HH1 ARG 45 HH1 ARG 45 14.489 -4.757 10.275 338 2HH1 ARG 45 HH1 ARG 45 14.893 -3.881 11.714 339 1HH2 ARG 45 HH2 ARG 45 12.902 -5.838 13.817 340 2HH2 ARG 45 HH2 ARG 45 13.991 -4.495 13.725 341 H ALA 46 HN ALA 46 11.539 -3.882 5.377 342 HA ALA 46 HA ALA 46 9.037 -5.104 5.430 343 1HB ALA 46 HB1 ALA 46 9.999 -2.813 4.367 344 2HB ALA 46 HB2 ALA 46 8.398 -3.470 4.024 345 3HB ALA 46 HB3 ALA 46 9.730 -3.764 2.906 346 H LEU 47 HN LEU 47 11.523 -5.342 2.875 347 HA LEU 47 HA LEU 47 10.113 -7.425 1.508 348 1HB LEU 47 HB2 LEU 47 12.998 -6.624 1.140 349 2HB LEU 47 HB1 LEU 47 11.978 -7.464 -0.008 350 HG LEU 47 HG LEU 47 11.941 -5.375 -0.919 351 1HD1 LEU 47 HD2 LEU 47 9.868 -4.275 -0.470 352 2HD1 LEU 47 HD2 LEU 47 9.771 -5.002 1.134 353 3HD1 LEU 47 HD2 LEU 47 9.618 -6.013 -0.302 354 1HD2 LEU 47 HD1 LEU 47 11.623 -3.675 1.421 355 2HD2 LEU 47 HD1 LEU 47 12.752 -3.553 0.071 356 3HD2 LEU 47 HD1 LEU 47 13.119 -4.610 1.435 357 H GLN 48 HN GLN 48 12.849 -7.308 3.731 358 HA GLN 48 HA GLN 48 13.659 -9.996 3.384 359 1HB GLN 48 HB2 GLN 48 15.377 -8.986 4.428 360 2HB GLN 48 HB1 GLN 48 14.341 -7.749 5.124 361 1HG GLN 48 HG2 GLN 48 13.884 -9.024 7.018 362 2HG GLN 48 HG1 GLN 48 14.415 -10.520 6.252 363 1HE2 GLN 48 HE2 GLN 48 15.571 -10.582 8.385 364 2HE2 GLN 48 HE2 GLN 48 17.152 -9.886 8.441 365 H ASN 49 HN ASN 49 11.248 -8.479 5.401 366 HA ASN 49 HA ASN 49 10.432 -11.137 6.330 367 1HB ASN 49 HB1 ASN 49 11.639 -10.164 8.187 368 2HB ASN 49 HB2 ASN 49 10.723 -8.666 8.058 369 1HD2 ASN 49 HD2 ASN 49 10.232 -12.149 8.501 370 2HD2 ASN 49 HD2 ASN 49 8.947 -11.995 9.648 371 H MET 50 HN MET 50 8.983 -10.728 4.457 372 HA MET 50 HA MET 50 6.887 -8.769 4.830 373 1HB MET 50 HB2 MET 50 6.726 -10.937 2.779 374 2HB MET 50 HB1 MET 50 6.190 -9.266 2.678 375 1HG MET 50 HG2 MET 50 8.074 -8.669 1.695 376 2HG MET 50 HG1 MET 50 9.029 -9.349 3.012 377 1HE MET 50 HE1 MET 50 10.147 -11.973 2.837 378 2HE MET 50 HE2 MET 50 9.185 -13.116 1.900 379 3HE MET 50 HE3 MET 50 8.422 -12.149 3.163 380 H LYS 51 HN LYS 51 4.792 -9.159 5.413 381 HA LYS 51 HA LYS 51 4.289 -11.723 6.702 382 1HB LYS 51 HB2 LYS 51 3.762 -9.117 7.432 383 2HB LYS 51 HB1 LYS 51 2.195 -9.699 6.896 384 1HG LYS 51 HG1 LYS 51 2.032 -11.233 8.590 385 2HG LYS 51 HG2 LYS 51 3.782 -11.376 8.774 386 1HD LYS 51 HD1 LYS 51 2.465 -8.775 9.406 387 2HD LYS 51 HD2 LYS 51 2.344 -10.102 10.564 388 1HE LYS 51 HE2 LYS 51 4.276 -9.213 11.331 389 2HE LYS 51 HE1 LYS 51 4.969 -10.210 10.052 390 1HZ LYS 51 HZ1 LYS 51 4.117 -7.546 9.267 391 2HZ LYS 51 HZ2 LYS 51 5.496 -8.419 8.822 392 3HZ LYS 51 HZ3 LYS 51 5.449 -7.612 10.307 393 HA PRO 52 HA PRO 52 1.660 -13.735 3.829 394 1HB PRO 52 HB1 PRO 52 -0.461 -13.330 5.915 395 2HB PRO 52 HB2 PRO 52 -0.102 -14.768 4.950 396 1HG PRO 52 HG2 PRO 52 0.760 -14.546 7.471 397 2HG PRO 52 HG1 PRO 52 1.752 -15.319 6.222 398 1HD PRO 52 HD1 PRO 52 2.119 -12.721 7.567 399 2HD PRO 52 HD2 PRO 52 3.308 -13.735 6.729 400 H GLY 53 HN GLY 53 -0.974 -11.971 5.336 401 1HA GLY 53 HA1 GLY 53 -1.503 -10.709 2.733 402 2HA GLY 53 HA2 GLY 53 -2.714 -11.064 3.954 403 H GLU 54 HN GLU 54 0.340 -9.240 3.796 404 HA GLU 54 HA GLU 54 -0.834 -7.202 5.514 405 1HB GLU 54 HB2 GLU 54 1.888 -8.020 4.783 406 2HB GLU 54 HB1 GLU 54 1.666 -6.278 4.899 407 1HG GLU 54 HG1 GLU 54 0.857 -8.202 7.058 408 2HG GLU 54 HG2 GLU 54 2.427 -7.399 6.996 409 H ILE 55 HN ILE 55 -0.725 -4.952 5.011 410 HA ILE 55 HA ILE 55 -0.582 -4.285 2.153 411 HB ILE 55 HB ILE 55 -2.767 -3.232 3.948 412 1HG1 ILE 55 HG1 ILE 55 -4.035 -4.746 2.052 413 2HG1 ILE 55 HG1 ILE 55 -2.601 -5.717 2.373 414 1HG2 ILE 55 HG2 ILE 55 -3.697 -2.775 1.537 415 2HG2 ILE 55 HG2 ILE 55 -1.991 -2.855 1.099 416 3HG2 ILE 55 HG2 ILE 55 -2.542 -1.673 2.285 417 1HD1 ILE 55 HD1 ILE 55 -3.153 -5.927 4.664 418 2HD1 ILE 55 HD1 ILE 55 -4.613 -6.281 3.741 419 3HD1 ILE 55 HD1 ILE 55 -4.428 -4.716 4.534 420 H LEU 56 HN LEU 56 0.899 -2.717 1.939 421 HA LEU 56 HA LEU 56 1.175 -0.771 4.133 422 1HB LEU 56 HB2 LEU 56 3.158 -2.450 2.787 423 2HB LEU 56 HB1 LEU 56 3.611 -0.758 2.858 424 HG LEU 56 HG LEU 56 3.438 -0.769 5.280 425 1HD1 LEU 56 HD2 LEU 56 3.237 -3.429 6.009 426 2HD1 LEU 56 HD2 LEU 56 1.981 -3.223 4.788 427 3HD1 LEU 56 HD2 LEU 56 2.003 -2.185 6.214 428 1HD2 LEU 56 HD1 LEU 56 5.172 -2.671 3.840 429 2HD2 LEU 56 HD1 LEU 56 5.102 -2.852 5.593 430 3HD2 LEU 56 HD1 LEU 56 5.592 -1.313 4.884 431 H GLU 57 HN GLU 57 2.186 1.283 3.489 432 HA GLU 57 HA GLU 57 1.331 2.092 0.788 433 1HB GLU 57 HB1 GLU 57 0.030 3.105 2.660 434 2HB GLU 57 HB2 GLU 57 1.518 3.811 3.272 435 1HG GLU 57 HG2 GLU 57 1.752 5.123 1.238 436 2HG GLU 57 HG1 GLU 57 0.283 4.393 0.589 437 H VAL 58 HN VAL 58 2.609 3.904 -0.150 438 HA VAL 58 HA VAL 58 5.330 4.125 0.894 439 HB VAL 58 HB VAL 58 4.834 3.392 -1.991 440 1HG1 VAL 58 HG2 VAL 58 7.275 3.947 -0.350 441 2HG1 VAL 58 HG2 VAL 58 6.828 4.582 -1.933 442 3HG1 VAL 58 HG2 VAL 58 7.366 2.910 -1.774 443 1HG2 VAL 58 HG1 VAL 58 4.624 1.282 -1.315 444 2HG2 VAL 58 HG1 VAL 58 5.001 1.713 0.355 445 3HG2 VAL 58 HG1 VAL 58 6.304 1.362 -0.783 446 H TRP 59 HN TRP 59 5.652 6.232 1.089 447 HA TRP 59 HA TRP 59 4.740 8.001 -1.089 448 1HB TRP 59 HB1 TRP 59 3.770 8.088 1.445 449 2HB TRP 59 HB2 TRP 59 5.127 9.201 1.587 450 HD1 TRP 59 HD1 TRP 59 1.928 8.733 -0.538 451 HE1 TRP 59 HE1 TRP 59 1.131 11.059 -1.300 452 HE3 TRP 59 HE3 TRP 59 5.776 11.556 1.299 453 HZ2 TRP 59 HZ2 TRP 59 2.014 13.735 -1.144 454 HZ3 TRP 59 HZ3 TRP 59 5.723 13.992 0.949 455 HH2 TRP 59 HH2 TRP 59 3.881 15.057 -0.247 456 H ILE 60 HN ILE 60 6.551 8.387 -2.233 457 HA ILE 60 HA ILE 60 8.676 9.871 -0.981 458 HB ILE 60 HB ILE 60 10.242 8.057 -2.336 459 1HG1 ILE 60 HG1 ILE 60 8.324 6.465 -0.624 460 2HG1 ILE 60 HG1 ILE 60 8.235 6.522 -2.381 461 1HG2 ILE 60 HG2 ILE 60 10.975 9.050 -0.341 462 2HG2 ILE 60 HG2 ILE 60 10.883 7.324 0.010 463 3HG2 ILE 60 HG2 ILE 60 9.612 8.408 0.578 464 1HD1 ILE 60 HD1 ILE 60 9.713 4.890 -2.513 465 2HD1 ILE 60 HD1 ILE 60 9.794 4.827 -0.752 466 3HD1 ILE 60 HD1 ILE 60 10.897 5.872 -1.649 467 H ASP 61 HN ASP 61 10.604 9.680 -2.947 468 HA ASP 61 HA ASP 61 9.191 10.872 -5.227 469 1HB ASP 61 HB2 ASP 61 11.114 12.164 -5.656 470 2HB ASP 61 HB1 ASP 61 10.975 12.159 -3.900 471 H TYR 62 HN TYR 62 10.509 7.991 -4.367 472 HA TYR 62 HA TYR 62 10.982 7.276 -7.170 473 1HB TYR 62 HB2 TYR 62 12.933 5.924 -6.566 474 2HB TYR 62 HB1 TYR 62 13.191 7.615 -6.149 475 HD1 TYR 62 HD1 TYR 62 13.168 4.248 -4.947 476 HD2 TYR 62 HD2 TYR 62 12.845 8.309 -3.717 477 HE1 TYR 62 HE1 TYR 62 13.728 3.590 -2.644 478 HE2 TYR 62 HE2 TYR 62 13.403 7.662 -1.412 479 HH TYR 62 HH TYR 62 13.595 4.331 -0.432 480 HA PRO 63 HA PRO 63 8.370 3.863 -6.150 481 1HB PRO 63 HB2 PRO 63 8.990 2.139 -8.129 482 2HB PRO 63 HB1 PRO 63 8.096 3.635 -8.426 483 1HG PRO 63 HG2 PRO 63 11.005 3.050 -8.834 484 2HG PRO 63 HG1 PRO 63 9.881 3.921 -9.894 485 1HD PRO 63 HD1 PRO 63 11.642 5.176 -8.239 486 2HD PRO 63 HD2 PRO 63 10.080 5.876 -8.703 487 H MET 64 HN MET 64 8.995 2.941 -4.242 488 HA MET 64 HA MET 64 11.422 1.513 -3.864 489 1HB MET 64 HB2 MET 64 9.857 2.601 -2.107 490 2HB MET 64 HB1 MET 64 8.951 1.097 -2.200 491 1HG MET 64 HG2 MET 64 10.352 0.736 -0.410 492 2HG MET 64 HG1 MET 64 11.220 -0.034 -1.738 493 1HE MET 64 HE1 MET 64 11.943 1.944 1.354 494 2HE MET 64 HE2 MET 64 10.820 3.010 0.512 495 3HE MET 64 HE3 MET 64 12.487 3.519 0.777 496 H SER 65 HN SER 65 8.396 0.704 -5.236 497 HA SER 65 HA SER 65 8.236 -2.034 -4.737 498 1HB SER 65 HB1 SER 65 6.565 -2.078 -6.330 499 2HB SER 65 HB2 SER 65 6.612 -0.350 -5.981 500 HG SER 65 HG SER 65 8.318 -0.495 -7.814 501 H LYS 66 HN LYS 66 10.617 -0.360 -6.432 502 HA LYS 66 HA LYS 66 11.250 -2.061 -8.546 503 1HB LYS 66 HB1 LYS 66 13.591 -1.185 -8.274 504 2HB LYS 66 HB2 LYS 66 12.351 0.056 -8.392 505 1HG LYS 66 HG2 LYS 66 12.939 0.915 -6.440 506 2HG LYS 66 HG1 LYS 66 12.789 -0.652 -5.643 507 1HD LYS 66 HD1 LYS 66 15.013 -0.311 -5.308 508 2HD LYS 66 HD2 LYS 66 15.100 -1.066 -6.900 509 1HE LYS 66 HE1 LYS 66 16.070 0.750 -7.720 510 2HE LYS 66 HE2 LYS 66 14.663 1.712 -7.271 511 1HZ LYS 66 HZ1 LYS 66 15.748 1.705 -4.952 512 2HZ LYS 66 HZ2 LYS 66 16.370 2.737 -6.138 513 3HZ LYS 66 HZ3 LYS 66 17.164 1.287 -5.777 514 H GLU 67 HN GLU 67 12.261 -2.191 -5.152 515 HA GLU 67 HA GLU 67 13.681 -4.689 -5.593 516 1HB GLU 67 HB2 GLU 67 13.468 -2.713 -3.402 517 2HB GLU 67 HB1 GLU 67 13.662 -4.386 -2.895 518 1HG GLU 67 HG2 GLU 67 15.827 -4.305 -3.320 519 2HG GLU 67 HG1 GLU 67 15.516 -3.828 -4.988 520 H ARG 68 HN ARG 68 10.613 -3.535 -4.511 521 HA ARG 68 HA ARG 68 9.753 -5.735 -3.000 522 1HB ARG 68 HB1 ARG 68 8.435 -3.502 -4.447 523 2HB ARG 68 HB2 ARG 68 7.431 -4.890 -4.055 524 1HG ARG 68 HG2 ARG 68 7.106 -3.570 -2.218 525 2HG ARG 68 HG1 ARG 68 8.442 -4.586 -1.667 526 1HD ARG 68 HD1 ARG 68 10.027 -2.827 -2.275 527 2HD ARG 68 HD2 ARG 68 8.694 -1.814 -2.827 528 HE ARG 68 HE ARG 68 9.572 -2.158 -0.147 529 1HH1 ARG 68 HH1 ARG 68 6.718 -1.659 -2.086 530 2HH1 ARG 68 HH1 ARG 68 5.834 -0.884 -0.815 531 1HH2 ARG 68 HH2 ARG 68 8.414 -1.140 1.532 532 2HH2 ARG 68 HH2 ARG 68 6.797 -0.589 1.242 533 H ILE 69 HN ILE 69 9.591 -5.117 -6.496 534 HA ILE 69 HA ILE 69 7.961 -7.223 -7.242 535 HB ILE 69 HB ILE 69 10.303 -6.158 -8.815 536 1HG1 ILE 69 HG1 ILE 69 7.478 -5.374 -9.351 537 2HG1 ILE 69 HG1 ILE 69 8.273 -4.653 -7.954 538 1HG2 ILE 69 HG2 ILE 69 9.781 -7.624 -10.395 539 2HG2 ILE 69 HG2 ILE 69 8.124 -7.019 -10.432 540 3HG2 ILE 69 HG2 ILE 69 8.562 -8.326 -9.331 541 1HD1 ILE 69 HD1 ILE 69 9.677 -3.414 -9.219 542 2HD1 ILE 69 HD1 ILE 69 8.343 -3.556 -10.364 543 3HD1 ILE 69 HD1 ILE 69 9.749 -4.610 -10.513 544 HA PRO 70 HA PRO 70 12.008 -9.997 -7.878 545 1HB PRO 70 HB1 PRO 70 13.588 -8.751 -5.676 546 2HB PRO 70 HB2 PRO 70 14.143 -9.476 -7.189 547 1HG PRO 70 HG2 PRO 70 14.078 -6.834 -6.906 548 2HG PRO 70 HG1 PRO 70 13.609 -7.592 -8.439 549 1HD PRO 70 HD1 PRO 70 11.895 -6.399 -6.308 550 2HD PRO 70 HD2 PRO 70 11.675 -6.393 -8.069 551 H GLU 71 HN GLU 71 11.164 -8.673 -4.689 552 HA GLU 71 HA GLU 71 11.519 -11.139 -3.316 553 1HB GLU 71 HB1 GLU 71 10.467 -8.452 -2.674 554 2HB GLU 71 HB2 GLU 71 9.857 -9.770 -1.683 555 1HG GLU 71 HG1 GLU 71 11.739 -8.859 -0.574 556 2HG GLU 71 HG2 GLU 71 12.223 -10.420 -1.234 557 H THR 72 HN THR 72 8.482 -9.351 -3.924 558 HA THR 72 HA THR 72 6.765 -11.395 -3.183 559 HB THR 72 HB THR 72 5.638 -9.852 -5.357 560 HG1 THR 72 HG1 THR 72 6.103 -7.993 -3.533 561 1HG2 THR 72 HG2 THR 72 4.952 -9.161 -2.594 562 2HG2 THR 72 HG2 THR 72 4.704 -10.848 -3.043 563 3HG2 THR 72 HG2 THR 72 3.917 -9.565 -3.964 564 H VAL 73 HN VAL 73 8.438 -10.912 -6.220 565 HA VAL 73 HA VAL 73 6.840 -12.768 -7.691 566 HB VAL 73 HB VAL 73 8.254 -10.933 -8.713 567 1HG1 VAL 73 HG1 VAL 73 10.342 -11.200 -7.636 568 2HG1 VAL 73 HG1 VAL 73 10.592 -11.686 -9.313 569 3HG1 VAL 73 HG1 VAL 73 10.422 -12.911 -8.056 570 1HG2 VAL 73 HG2 VAL 73 9.142 -13.091 -10.332 571 2HG2 VAL 73 HG2 VAL 73 7.755 -12.030 -10.574 572 3HG2 VAL 73 HG2 VAL 73 7.575 -13.521 -9.648 573 H LYS 74 HN LYS 74 9.639 -13.005 -5.636 574 HA LYS 74 HA LYS 74 10.599 -15.527 -6.427 575 1HB LYS 74 HB2 LYS 74 11.740 -13.968 -4.822 576 2HB LYS 74 HB1 LYS 74 10.543 -14.412 -3.613 577 1HG LYS 74 HG1 LYS 74 11.954 -16.010 -2.996 578 2HG LYS 74 HG2 LYS 74 11.504 -16.845 -4.486 579 1HD LYS 74 HD2 LYS 74 13.395 -16.096 -5.622 580 2HD LYS 74 HD1 LYS 74 13.675 -14.779 -4.481 581 1HE LYS 74 HE2 LYS 74 15.328 -16.332 -3.949 582 2HE LYS 74 HE1 LYS 74 14.071 -16.631 -2.750 583 1HZ LYS 74 HZ1 LYS 74 13.732 -18.187 -5.133 584 2HZ LYS 74 HZ2 LYS 74 13.750 -18.682 -3.515 585 3HZ LYS 74 HZ3 LYS 74 15.204 -18.501 -4.359 586 H LYS 75 HN LYS 75 8.077 -14.522 -4.186 587 HA LYS 75 HA LYS 75 7.280 -17.290 -3.706 588 1HB LYS 75 HB1 LYS 75 6.000 -14.752 -2.675 589 2HB LYS 75 HB2 LYS 75 5.728 -16.386 -2.087 590 1HG LYS 75 HG2 LYS 75 7.352 -16.124 -0.613 591 2HG LYS 75 HG1 LYS 75 8.506 -15.870 -1.923 592 1HD LYS 75 HD2 LYS 75 8.632 -13.971 -0.490 593 2HD LYS 75 HD1 LYS 75 7.794 -13.464 -1.958 594 1HE LYS 75 HE2 LYS 75 6.511 -12.529 -0.259 595 2HE LYS 75 HE1 LYS 75 5.640 -14.008 -0.662 596 1HZ LYS 75 HZ1 LYS 75 6.188 -14.980 1.299 597 2HZ LYS 75 HZ2 LYS 75 6.200 -13.367 1.810 598 3HZ LYS 75 HZ3 LYS 75 7.655 -14.152 1.450 599 H LEU 76 HN LEU 76 5.294 -14.414 -4.319 600 HA LEU 76 HA LEU 76 3.650 -16.000 -6.162 601 1HB LEU 76 HB1 LEU 76 2.179 -13.812 -5.904 602 2HB LEU 76 HB2 LEU 76 2.108 -15.123 -4.742 603 HG LEU 76 HG LEU 76 4.131 -13.122 -4.074 604 1HD1 LEU 76 HD2 LEU 76 2.940 -11.309 -4.595 605 2HD1 LEU 76 HD2 LEU 76 1.920 -11.757 -3.227 606 3HD1 LEU 76 HD2 LEU 76 1.465 -12.241 -4.861 607 1HD2 LEU 76 HD1 LEU 76 3.659 -13.850 -2.023 608 2HD2 LEU 76 HD1 LEU 76 2.626 -15.054 -2.793 609 3HD2 LEU 76 HD1 LEU 76 1.936 -13.533 -2.227 610 H GLY 77 HN GLY 77 3.567 -12.541 -6.267 611 1HA GLY 77 HA2 GLY 77 5.275 -12.444 -8.640 612 2HA GLY 77 HA1 GLY 77 3.591 -11.982 -8.831 613 H HIS 78 HN HIS 78 2.801 -10.176 -7.519 614 HA HIS 78 HA HIS 78 4.848 -8.418 -6.420 615 1HB HIS 78 HB1 HIS 78 3.400 -6.588 -7.850 616 2HB HIS 78 HB2 HIS 78 4.962 -7.237 -8.342 617 HD2 HIS 78 HD2 HIS 78 4.910 -8.108 -10.855 618 HE1 HIS 78 HE1 HIS 78 0.809 -9.150 -11.012 619 HE2 HIS 78 HE2 HIS 78 2.978 -9.035 -12.321 620 H GLU 79 HN GLU 79 3.954 -6.630 -5.184 621 HA GLU 79 HA GLU 79 1.326 -7.285 -4.082 622 1HB GLU 79 HB1 GLU 79 2.535 -5.318 -2.496 623 2HB GLU 79 HB2 GLU 79 2.392 -7.029 -2.124 624 1HG GLU 79 HG1 GLU 79 4.564 -7.222 -3.562 625 2HG GLU 79 HG2 GLU 79 4.721 -5.506 -3.181 626 H VAL 80 HN VAL 80 0.976 -6.187 -6.412 627 HA VAL 80 HA VAL 80 0.885 -3.282 -6.145 628 HB VAL 80 HB VAL 80 1.824 -3.909 -8.203 629 1HG1 VAL 80 HG2 VAL 80 1.194 -6.253 -8.199 630 2HG1 VAL 80 HG2 VAL 80 0.796 -5.514 -9.752 631 3HG1 VAL 80 HG2 VAL 80 -0.477 -5.823 -8.571 632 1HG2 VAL 80 HG1 VAL 80 -0.378 -2.352 -8.153 633 2HG2 VAL 80 HG1 VAL 80 -0.876 -3.571 -9.325 634 3HG2 VAL 80 HG1 VAL 80 0.594 -2.637 -9.597 635 H LEU 81 HN LEU 81 -0.894 -2.256 -5.590 636 HA LEU 81 HA LEU 81 -3.493 -3.461 -6.196 637 1HB LEU 81 HB2 LEU 81 -4.340 -3.103 -4.050 638 2HB LEU 81 HB1 LEU 81 -2.739 -3.762 -3.774 639 HG LEU 81 HG LEU 81 -2.328 -1.013 -3.808 640 1HD1 LEU 81 HD1 LEU 81 -4.039 0.092 -2.869 641 2HD1 LEU 81 HD1 LEU 81 -4.475 -1.261 -1.825 642 3HD1 LEU 81 HD1 LEU 81 -5.014 -1.234 -3.504 643 1HD2 LEU 81 HD2 LEU 81 -1.452 -2.921 -2.317 644 2HD2 LEU 81 HD2 LEU 81 -2.833 -2.545 -1.287 645 3HD2 LEU 81 HD2 LEU 81 -1.617 -1.310 -1.619 646 H GLU 82 HN GLU 82 -1.633 -0.556 -5.513 647 HA GLU 82 HA GLU 82 -3.430 0.950 -7.219 648 1HB GLU 82 HB1 GLU 82 -4.657 1.398 -5.314 649 2HB GLU 82 HB2 GLU 82 -3.236 1.414 -4.289 650 1HG GLU 82 HG1 GLU 82 -2.906 3.597 -4.566 651 2HG GLU 82 HG2 GLU 82 -3.231 3.520 -6.297 652 H ILE 83 HN ILE 83 -2.545 2.797 -8.099 653 HA ILE 83 HA ILE 83 0.116 3.638 -7.230 654 HB ILE 83 HB ILE 83 -0.471 2.972 -10.118 655 1HG1 ILE 83 HG1 ILE 83 1.674 1.421 -9.246 656 2HG1 ILE 83 HG1 ILE 83 0.514 1.330 -7.924 657 1HG2 ILE 83 HG2 ILE 83 1.093 4.872 -9.649 658 2HG2 ILE 83 HG2 ILE 83 1.796 3.539 -10.563 659 3HG2 ILE 83 HG2 ILE 83 2.154 3.715 -8.846 660 1HD1 ILE 83 HD1 ILE 83 0.095 0.550 -10.792 661 2HD1 ILE 83 HD1 ILE 83 -1.213 0.679 -9.616 662 3HD1 ILE 83 HD1 ILE 83 0.083 -0.490 -9.368 663 H GLU 84 HN GLU 84 0.423 5.817 -7.422 664 HA GLU 84 HA GLU 84 -1.154 7.401 -9.251 665 1HB GLU 84 HB1 GLU 84 -2.105 8.831 -7.434 666 2HB GLU 84 HB2 GLU 84 -2.784 7.210 -7.505 667 1HG GLU 84 HG1 GLU 84 -0.755 6.847 -5.746 668 2HG GLU 84 HG2 GLU 84 -1.216 8.514 -5.401 669 H GLU 85 HN GLU 85 -0.782 9.845 -8.625 670 HA GLU 85 HA GLU 85 2.009 10.208 -7.774 671 1HB GLU 85 HB2 GLU 85 2.466 11.671 -9.627 672 2HB GLU 85 HB1 GLU 85 1.845 10.156 -10.267 673 1HG GLU 85 HG1 GLU 85 -0.421 11.689 -9.957 674 2HG GLU 85 HG2 GLU 85 0.792 12.849 -10.498 675 H VAL 86 HN VAL 86 2.520 12.555 -7.369 676 HA VAL 86 HA VAL 86 0.152 13.997 -6.374 677 HB VAL 86 HB VAL 86 2.775 14.180 -4.938 678 1HG1 VAL 86 HG1 VAL 86 -0.100 14.748 -4.309 679 2HG1 VAL 86 HG1 VAL 86 1.290 15.831 -4.228 680 3HG1 VAL 86 HG1 VAL 86 1.095 14.553 -3.027 681 1HG2 VAL 86 HG2 VAL 86 2.500 11.872 -4.797 682 2HG2 VAL 86 HG2 VAL 86 0.743 11.990 -4.713 683 3HG2 VAL 86 HG2 VAL 86 1.726 12.467 -3.328 684 H GLY 87 HN GLY 87 3.666 14.552 -6.734 685 1HA GLY 87 HA1 GLY 87 2.997 17.059 -8.149 686 2HA GLY 87 HA2 GLY 87 4.292 16.963 -6.966 687 HA PRO 88 HA PRO 88 6.394 16.622 -11.030 688 1HB PRO 88 HB1 PRO 88 8.700 17.305 -9.300 689 2HB PRO 88 HB2 PRO 88 8.176 18.037 -10.820 690 1HG PRO 88 HG1 PRO 88 7.826 19.302 -8.496 691 2HG PRO 88 HG2 PRO 88 6.603 19.387 -9.778 692 1HD PRO 88 HD2 PRO 88 6.620 17.742 -7.275 693 2HD PRO 88 HD1 PRO 88 5.276 18.615 -8.041 694 H SER 89 HN SER 89 8.650 15.884 -8.404 695 HA SER 89 HA SER 89 9.046 13.239 -9.591 696 1HB SER 89 HB1 SER 89 10.988 13.614 -7.615 697 2HB SER 89 HB2 SER 89 11.205 13.806 -9.356 698 HG SER 89 HG SER 89 10.768 15.981 -9.152 699 H GLU 90 HN GLU 90 7.262 14.537 -7.188 700 HA GLU 90 HA GLU 90 7.685 12.376 -5.267 701 1HB GLU 90 HB2 GLU 90 5.765 13.688 -4.066 702 2HB GLU 90 HB1 GLU 90 7.402 14.326 -4.064 703 1HG GLU 90 HG1 GLU 90 6.368 15.434 -6.331 704 2HG GLU 90 HG2 GLU 90 4.966 15.398 -5.262 705 H TRP 91 HN TRP 91 6.556 10.553 -5.399 706 HA TRP 91 HA TRP 91 3.850 10.657 -6.550 707 1HB TRP 91 HB2 TRP 91 5.884 8.477 -7.069 708 2HB TRP 91 HB1 TRP 91 4.249 8.551 -7.716 709 HD1 TRP 91 HD1 TRP 91 4.086 11.413 -8.875 710 HE1 TRP 91 HE1 TRP 91 5.562 12.139 -10.855 711 HE3 TRP 91 HE3 TRP 91 7.804 7.931 -8.435 712 HZ2 TRP 91 HZ2 TRP 91 7.981 11.340 -12.070 713 HZ3 TRP 91 HZ3 TRP 91 9.663 7.981 -10.047 714 HH2 TRP 91 HH2 TRP 91 9.748 9.650 -11.826 715 H LYS 92 HN LYS 92 2.563 8.669 -6.026 716 HA LYS 92 HA LYS 92 3.284 7.589 -3.384 717 1HB LYS 92 HB1 LYS 92 1.579 9.266 -3.037 718 2HB LYS 92 HB2 LYS 92 0.586 8.583 -4.316 719 1HG LYS 92 HG1 LYS 92 0.265 6.558 -2.999 720 2HG LYS 92 HG2 LYS 92 1.271 7.231 -1.715 721 1HD LYS 92 HD1 LYS 92 -0.535 9.227 -2.065 722 2HD LYS 92 HD2 LYS 92 -1.520 7.810 -2.431 723 1HE LYS 92 HE2 LYS 92 -0.593 6.824 -0.266 724 2HE LYS 92 HE1 LYS 92 -0.041 8.459 0.102 725 1HZ LYS 92 HZ1 LYS 92 -2.373 7.618 0.885 726 2HZ LYS 92 HZ2 LYS 92 -2.840 8.072 -0.676 727 3HZ LYS 92 HZ3 LYS 92 -2.160 9.215 0.370 728 H ILE 93 HN ILE 93 3.193 5.439 -3.227 729 HA ILE 93 HA ILE 93 1.713 3.950 -5.295 730 HB ILE 93 HB ILE 93 4.273 2.968 -4.053 731 1HG1 ILE 93 HG1 ILE 93 4.985 3.601 -6.597 732 2HG1 ILE 93 HG1 ILE 93 3.856 4.906 -6.250 733 1HG2 ILE 93 HG2 ILE 93 2.419 2.041 -6.169 734 2HG2 ILE 93 HG2 ILE 93 3.341 1.118 -4.982 735 3HG2 ILE 93 HG2 ILE 93 4.143 1.758 -6.417 736 1HD1 ILE 93 HD1 ILE 93 5.664 5.926 -5.429 737 2HD1 ILE 93 HD1 ILE 93 6.547 4.415 -5.213 738 3HD1 ILE 93 HD1 ILE 93 5.367 4.926 -4.008 739 H TYR 94 HN TYR 94 0.803 1.968 -4.682 740 HA TYR 94 HA TYR 94 0.619 1.522 -1.775 741 1HB TYR 94 HB1 TYR 94 -1.485 1.547 -3.892 742 2HB TYR 94 HB2 TYR 94 -1.659 0.399 -2.568 743 HD1 TYR 94 HD1 TYR 94 -0.900 4.026 -3.087 744 HD2 TYR 94 HD2 TYR 94 -2.850 1.081 -0.716 745 HE1 TYR 94 HE1 TYR 94 -1.860 5.800 -1.684 746 HE2 TYR 94 HE2 TYR 94 -3.815 2.848 0.694 747 HH TYR 94 HH TYR 94 -3.107 6.277 0.085 748 H ILE 95 HN ILE 95 1.280 -0.394 -1.088 749 HA ILE 95 HA ILE 95 1.526 -2.595 -3.031 750 HB ILE 95 HB ILE 95 3.588 -1.269 -1.741 751 1HG1 ILE 95 HG1 ILE 95 4.957 -3.272 -2.518 752 2HG1 ILE 95 HG1 ILE 95 3.431 -3.996 -3.014 753 1HG2 ILE 95 HG2 ILE 95 4.589 -2.956 -0.240 754 2HG2 ILE 95 HG2 ILE 95 3.088 -3.879 -0.321 755 3HG2 ILE 95 HG2 ILE 95 3.094 -2.265 0.391 756 1HD1 ILE 95 HD1 ILE 95 4.302 -1.299 -3.984 757 2HD1 ILE 95 HD1 ILE 95 3.068 -2.367 -4.654 758 3HD1 ILE 95 HD1 ILE 95 4.774 -2.796 -4.790 759 H LYS 96 HN LYS 96 1.215 -4.755 -2.227 760 HA LYS 96 HA LYS 96 0.244 -5.026 0.502 761 1HB LYS 96 HB2 LYS 96 -1.842 -4.452 -0.261 762 2HB LYS 96 HB1 LYS 96 -1.548 -5.078 -1.877 763 1HG LYS 96 HG1 LYS 96 -1.554 -7.202 0.079 764 2HG LYS 96 HG2 LYS 96 -3.048 -6.263 0.133 765 1HD LYS 96 HD1 LYS 96 -2.574 -6.579 -2.571 766 2HD LYS 96 HD2 LYS 96 -2.094 -8.132 -1.879 767 1HE LYS 96 HE2 LYS 96 -4.667 -6.894 -1.022 768 2HE LYS 96 HE1 LYS 96 -4.579 -7.690 -2.594 769 1HZ LYS 96 HZ1 LYS 96 -4.244 -9.729 -1.647 770 2HZ LYS 96 HZ2 LYS 96 -5.239 -9.024 -0.477 771 3HZ LYS 96 HZ3 LYS 96 -3.568 -9.104 -0.229 772 H VAL 97 HN VAL 97 1.398 -6.697 1.174 773 HA VAL 97 HA VAL 97 2.368 -8.778 -0.480 774 HB VAL 97 HB VAL 97 1.973 -9.188 2.458 775 1HG1 VAL 97 HG2 VAL 97 2.997 -10.960 1.133 776 2HG1 VAL 97 HG2 VAL 97 4.155 -10.274 2.274 777 3HG1 VAL 97 HG2 VAL 97 4.232 -9.834 0.567 778 1HG2 VAL 97 HG1 VAL 97 4.442 -7.789 1.775 779 2HG2 VAL 97 HG1 VAL 97 3.335 -7.547 3.128 780 3HG2 VAL 97 HG1 VAL 97 2.991 -6.809 1.563 781 H LYS 98 HN LYS 98 1.097 -10.197 -1.475 782 HA LYS 98 HA LYS 98 -1.539 -10.825 -0.582 783 1HB LYS 98 HB1 LYS 98 0.216 -11.919 -2.777 784 2HB LYS 98 HB2 LYS 98 -1.391 -12.557 -2.457 785 1HG LYS 98 HG2 LYS 98 -1.520 -9.707 -2.642 786 2HG LYS 98 HG1 LYS 98 -0.688 -10.361 -4.056 787 1HD LYS 98 HD2 LYS 98 -2.621 -12.038 -4.179 788 2HD LYS 98 HD1 LYS 98 -3.459 -10.955 -3.067 789 1HE LYS 98 HE2 LYS 98 -3.241 -9.124 -4.645 790 2HE LYS 98 HE1 LYS 98 -2.326 -10.156 -5.745 791 1HZ LYS 98 HZ1 LYS 98 -4.220 -10.841 -6.625 792 2HZ LYS 98 HZ2 LYS 98 -5.097 -9.843 -5.579 793 3HZ LYS 98 HZ3 LYS 98 -4.740 -11.434 -5.130 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -3.142 -31.228 7.409 2 2H GLY 1 HT2 GLY 1 -4.003 -32.468 6.645 3 3H GLY 1 HT3 GLY 1 -3.863 -30.952 5.904 4 1HA GLY 1 HA2 GLY 1 -2.147 -31.772 4.784 5 2HA GLY 1 HA1 GLY 1 -1.276 -31.654 6.306 6 H SER 2 HN SER 2 -2.517 -33.734 3.917 7 HA SER 2 HA SER 2 -1.623 -36.059 5.483 8 1HB SER 2 HB1 SER 2 -4.126 -35.964 5.269 9 2HB SER 2 HB2 SER 2 -3.928 -36.095 3.522 10 HG SER 2 HG SER 2 -4.109 -38.157 4.072 11 H SER 3 HN SER 3 -2.602 -35.262 2.144 12 HA SER 3 HA SER 3 -0.202 -36.685 1.206 13 1HB SER 3 HB1 SER 3 -1.664 -36.528 -1.034 14 2HB SER 3 HB2 SER 3 -1.868 -37.835 0.134 15 HG SER 3 HG SER 3 -3.881 -37.019 -0.266 16 H HIS 4 HN HIS 4 -2.332 -34.243 -0.264 17 HA HIS 4 HA HIS 4 -0.009 -32.866 -1.329 18 1HB HIS 4 HB2 HIS 4 -2.977 -32.404 -1.683 19 2HB HIS 4 HB1 HIS 4 -1.730 -31.441 -2.469 20 HD2 HIS 4 HD2 HIS 4 -3.815 -34.472 -3.155 21 HE1 HIS 4 HE1 HIS 4 -0.413 -34.779 -5.655 22 HE2 HIS 4 HE2 HIS 4 -2.734 -35.686 -5.177 23 H HIS 5 HN HIS 5 0.051 -30.446 -1.208 24 HA HIS 5 HA HIS 5 -0.403 -29.636 1.566 25 1HB HIS 5 HB1 HIS 5 1.811 -29.383 0.001 26 2HB HIS 5 HB2 HIS 5 1.058 -27.807 -0.232 27 HD2 HIS 5 HD2 HIS 5 3.858 -28.279 1.519 28 HE1 HIS 5 HE1 HIS 5 1.341 -27.137 4.725 29 HE2 HIS 5 HE2 HIS 5 3.744 -27.412 3.962 30 H HIS 6 HN HIS 6 -1.620 -27.884 2.146 31 HA HIS 6 HA HIS 6 -3.481 -26.914 0.128 32 1HB HIS 6 HB1 HIS 6 -4.066 -27.731 2.542 33 2HB HIS 6 HB2 HIS 6 -3.571 -26.110 3.017 34 HD2 HIS 6 HD2 HIS 6 -5.103 -24.029 1.641 35 HE1 HIS 6 HE1 HIS 6 -8.420 -26.628 1.233 36 HE2 HIS 6 HE2 HIS 6 -7.638 -24.217 1.117 37 H HIS 7 HN HIS 7 -3.464 -24.935 -0.724 38 HA HIS 7 HA HIS 7 -1.736 -22.894 0.505 39 1HB HIS 7 HB1 HIS 7 -1.377 -24.160 -2.021 40 2HB HIS 7 HB2 HIS 7 -1.853 -22.491 -2.324 41 HD2 HIS 7 HD2 HIS 7 -0.195 -20.824 -0.248 42 HE1 HIS 7 HE1 HIS 7 3.146 -23.109 -1.487 43 HE2 HIS 7 HE2 HIS 7 2.393 -20.997 -0.303 44 H HIS 8 HN HIS 8 -2.223 -20.753 -1.024 45 HA HIS 8 HA HIS 8 -4.885 -20.029 -0.268 46 1HB HIS 8 HB2 HIS 8 -2.569 -18.631 -0.656 47 2HB HIS 8 HB1 HIS 8 -3.463 -18.235 -2.120 48 HD2 HIS 8 HD2 HIS 8 -4.258 -18.152 1.756 49 HE1 HIS 8 HE1 HIS 8 -6.120 -14.899 -0.213 50 HE2 HIS 8 HE2 HIS 8 -5.711 -16.019 2.026 51 H HIS 9 HN HIS 9 -3.718 -21.715 -2.859 52 HA HIS 9 HA HIS 9 -5.518 -20.610 -4.850 53 1HB HIS 9 HB1 HIS 9 -3.095 -21.920 -5.008 54 2HB HIS 9 HB2 HIS 9 -4.241 -23.170 -5.482 55 HD2 HIS 9 HD2 HIS 9 -5.217 -22.978 -7.999 56 HE1 HIS 9 HE1 HIS 9 -3.546 -19.190 -8.881 57 HE2 HIS 9 HE2 HIS 9 -4.800 -21.183 -9.824 58 H SER 10 HN SER 10 -7.551 -21.011 -3.942 59 HA SER 10 HA SER 10 -8.391 -23.556 -3.021 60 1HB SER 10 HB1 SER 10 -9.557 -20.924 -3.385 61 2HB SER 10 HB2 SER 10 -10.683 -22.191 -3.870 62 HG SER 10 HG SER 10 -10.050 -23.182 -1.762 63 H SER 11 HN SER 11 -9.414 -25.218 -4.041 64 HA SER 11 HA SER 11 -9.097 -25.406 -6.885 65 1HB SER 11 HB1 SER 11 -8.867 -27.293 -5.128 66 2HB SER 11 HB2 SER 11 -10.626 -27.381 -5.204 67 HG SER 11 HG SER 11 -8.736 -28.178 -7.040 68 H GLY 12 HN GLY 12 -12.012 -26.345 -5.095 69 1HA GLY 12 HA1 GLY 12 -13.693 -25.577 -7.285 70 2HA GLY 12 HA2 GLY 12 -14.227 -26.187 -5.727 71 H LEU 13 HN LEU 13 -14.910 -23.804 -7.575 72 HA LEU 13 HA LEU 13 -14.395 -21.520 -5.892 73 1HB LEU 13 HB2 LEU 13 -14.545 -21.426 -8.394 74 2HB LEU 13 HB1 LEU 13 -16.264 -21.737 -8.251 75 HG LEU 13 HG LEU 13 -16.407 -19.627 -6.849 76 1HD1 LEU 13 HD2 LEU 13 -13.707 -19.762 -6.775 77 2HD1 LEU 13 HD2 LEU 13 -14.635 -18.288 -6.502 78 3HD1 LEU 13 HD2 LEU 13 -13.945 -18.613 -8.092 79 1HD2 LEU 13 HD1 LEU 13 -17.270 -19.463 -9.005 80 2HD2 LEU 13 HD1 LEU 13 -15.687 -19.649 -9.757 81 3HD2 LEU 13 HD1 LEU 13 -16.097 -18.148 -8.928 82 H VAL 14 HN VAL 14 -15.384 -22.346 -3.944 83 HA VAL 14 HA VAL 14 -18.251 -22.728 -3.913 84 HB VAL 14 HB VAL 14 -16.443 -22.531 -1.512 85 1HG1 VAL 14 HG1 VAL 14 -19.093 -22.526 -1.510 86 2HG1 VAL 14 HG1 VAL 14 -18.161 -23.388 -0.284 87 3HG1 VAL 14 HG1 VAL 14 -18.847 -24.267 -1.651 88 1HG2 VAL 14 HG2 VAL 14 -17.185 -25.206 -2.441 89 2HG2 VAL 14 HG2 VAL 14 -15.646 -24.604 -1.824 90 3HG2 VAL 14 HG2 VAL 14 -16.082 -24.345 -3.514 91 HA PRO 15 HA PRO 15 -18.051 -18.605 -1.410 92 1HB PRO 15 HB1 PRO 15 -15.796 -17.120 -1.540 93 2HB PRO 15 HB2 PRO 15 -16.036 -18.377 -0.321 94 1HG PRO 15 HG2 PRO 15 -14.502 -18.497 -2.891 95 2HG PRO 15 HG1 PRO 15 -14.049 -19.110 -1.290 96 1HD PRO 15 HD2 PRO 15 -15.044 -20.705 -3.245 97 2HD PRO 15 HD1 PRO 15 -15.325 -21.013 -1.520 98 H ARG 16 HN ARG 16 -19.478 -17.856 -2.943 99 HA ARG 16 HA ARG 16 -18.535 -16.793 -5.460 100 1HB ARG 16 HB2 ARG 16 -20.797 -18.012 -4.896 101 2HB ARG 16 HB1 ARG 16 -21.327 -16.394 -4.457 102 1HG ARG 16 HG2 ARG 16 -21.631 -15.844 -6.580 103 2HG ARG 16 HG1 ARG 16 -19.999 -16.364 -7.009 104 1HD ARG 16 HD1 ARG 16 -20.790 -18.680 -7.165 105 2HD ARG 16 HD2 ARG 16 -22.421 -18.144 -6.765 106 HE ARG 16 HE ARG 16 -22.327 -16.832 -8.871 107 1HH1 ARG 16 HH1 ARG 16 -20.245 -19.592 -8.441 108 2HH1 ARG 16 HH1 ARG 16 -20.081 -19.895 -10.138 109 1HH2 ARG 16 HH2 ARG 16 -22.118 -17.224 -11.107 110 2HH2 ARG 16 HH2 ARG 16 -21.146 -18.549 -11.654 111 H GLY 17 HN GLY 17 -17.664 -15.496 -2.932 112 1HA GLY 17 HA1 GLY 17 -19.050 -13.020 -2.667 113 2HA GLY 17 HA2 GLY 17 -17.461 -13.395 -2.016 114 H SER 18 HN SER 18 -18.473 -10.961 -3.347 115 HA SER 18 HA SER 18 -17.184 -10.862 -5.918 116 1HB SER 18 HB2 SER 18 -19.182 -9.399 -4.743 117 2HB SER 18 HB1 SER 18 -17.811 -8.298 -4.608 118 HG SER 18 HG SER 18 -18.447 -9.599 -7.033 119 H HIS 19 HN HIS 19 -16.133 -8.121 -5.510 120 HA HIS 19 HA HIS 19 -13.498 -8.895 -4.599 121 1HB HIS 19 HB1 HIS 19 -14.610 -6.882 -6.341 122 2HB HIS 19 HB2 HIS 19 -13.521 -6.140 -5.173 123 HD2 HIS 19 HD2 HIS 19 -13.337 -7.718 -8.528 124 HE1 HIS 19 HE1 HIS 19 -9.531 -8.318 -6.774 125 HE2 HIS 19 HE2 HIS 19 -10.865 -8.401 -8.929 126 H MET 20 HN MET 20 -15.678 -8.697 -2.619 127 HA MET 20 HA MET 20 -15.133 -6.329 -1.067 128 1HB MET 20 HB2 MET 20 -17.164 -8.320 -1.154 129 2HB MET 20 HB1 MET 20 -16.484 -8.323 0.468 130 1HG MET 20 HG2 MET 20 -18.151 -6.780 0.691 131 2HG MET 20 HG1 MET 20 -16.784 -5.742 0.295 132 1HE MET 20 HE1 MET 20 -19.366 -3.835 -0.754 133 2HE MET 20 HE2 MET 20 -19.650 -5.161 0.374 134 3HE MET 20 HE3 MET 20 -20.567 -5.071 -1.129 135 H ALA 21 HN ALA 21 -12.742 -7.471 -1.442 136 HA ALA 21 HA ALA 21 -12.062 -9.270 0.707 137 1HB ALA 21 HB1 ALA 21 -10.720 -9.688 -1.105 138 2HB ALA 21 HB2 ALA 21 -9.672 -8.628 -0.163 139 3HB ALA 21 HB3 ALA 21 -10.577 -7.982 -1.532 140 H LYS 22 HN LYS 22 -10.460 -8.775 2.343 141 HA LYS 22 HA LYS 22 -10.884 -6.124 3.457 142 1HB LYS 22 HB2 LYS 22 -9.344 -8.420 4.671 143 2HB LYS 22 HB1 LYS 22 -9.994 -7.013 5.501 144 1HG LYS 22 HG1 LYS 22 -12.285 -7.882 4.668 145 2HG LYS 22 HG2 LYS 22 -11.428 -9.407 4.433 146 1HD LYS 22 HD2 LYS 22 -10.612 -9.019 6.872 147 2HD LYS 22 HD1 LYS 22 -11.991 -7.921 6.968 148 1HE LYS 22 HE1 LYS 22 -13.431 -9.610 7.135 149 2HE LYS 22 HE2 LYS 22 -12.720 -10.442 5.754 150 1HZ LYS 22 HZ1 LYS 22 -12.370 -10.937 8.550 151 2HZ LYS 22 HZ2 LYS 22 -10.891 -10.781 7.742 152 3HZ LYS 22 HZ3 LYS 22 -12.020 -11.932 7.228 153 H TYR 23 HN TYR 23 -9.568 -5.219 1.629 154 HA TYR 23 HA TYR 23 -6.687 -5.565 1.942 155 1HB TYR 23 HB1 TYR 23 -6.705 -3.889 -0.051 156 2HB TYR 23 HB2 TYR 23 -7.204 -5.555 -0.328 157 HD1 TYR 23 HD1 TYR 23 -9.357 -6.053 -1.140 158 HD2 TYR 23 HD2 TYR 23 -8.490 -2.124 0.241 159 HE1 TYR 23 HE1 TYR 23 -11.501 -5.266 -2.051 160 HE2 TYR 23 HE2 TYR 23 -10.631 -1.325 -0.667 161 HH TYR 23 HH TYR 23 -12.567 -1.913 -1.608 162 H GLN 24 HN GLN 24 -7.731 -4.434 4.167 163 HA GLN 24 HA GLN 24 -7.574 -1.552 4.006 164 1HB GLN 24 HB2 GLN 24 -8.973 -3.126 5.635 165 2HB GLN 24 HB1 GLN 24 -7.524 -2.982 6.620 166 1HG GLN 24 HG1 GLN 24 -8.267 -0.396 5.678 167 2HG GLN 24 HG2 GLN 24 -9.672 -1.178 6.400 168 1HE2 GLN 24 HE2 GLN 24 -8.290 1.100 7.409 169 2HE2 GLN 24 HE2 GLN 24 -7.655 0.674 8.957 170 H VAL 25 HN VAL 25 -5.804 -0.364 4.265 171 HA VAL 25 HA VAL 25 -3.241 -1.483 4.479 172 HB VAL 25 HB VAL 25 -4.088 1.368 5.006 173 1HG1 VAL 25 HG2 VAL 25 -1.685 1.828 4.330 174 2HG1 VAL 25 HG2 VAL 25 -1.389 0.109 4.590 175 3HG1 VAL 25 HG2 VAL 25 -1.931 1.122 5.928 176 1HG2 VAL 25 HG1 VAL 25 -3.636 -0.204 2.553 177 2HG2 VAL 25 HG1 VAL 25 -2.918 1.407 2.583 178 3HG2 VAL 25 HG1 VAL 25 -4.653 1.210 2.826 179 H THR 26 HN THR 26 -2.082 -2.135 6.171 180 HA THR 26 HA THR 26 -3.082 -1.542 8.860 181 HB THR 26 HB THR 26 -0.903 -3.523 8.318 182 HG1 THR 26 HG1 THR 26 -3.668 -3.998 7.915 183 1HG2 THR 26 HG2 THR 26 -1.321 -3.449 10.580 184 2HG2 THR 26 HG2 THR 26 -2.338 -4.787 10.044 185 3HG2 THR 26 HG2 THR 26 -3.053 -3.206 10.358 186 H LYS 27 HN LYS 27 -0.037 -1.631 7.018 187 HA LYS 27 HA LYS 27 1.068 0.296 8.959 188 1HB LYS 27 HB2 LYS 27 2.088 -2.044 8.938 189 2HB LYS 27 HB1 LYS 27 2.719 -1.645 7.347 190 1HG LYS 27 HG2 LYS 27 3.498 0.505 8.861 191 2HG LYS 27 HG1 LYS 27 3.644 -0.847 9.985 192 1HD LYS 27 HD2 LYS 27 4.701 -1.268 7.253 193 2HD LYS 27 HD1 LYS 27 5.592 -0.148 8.286 194 1HE LYS 27 HE1 LYS 27 5.394 -2.043 10.056 195 2HE LYS 27 HE2 LYS 27 5.081 -3.071 8.657 196 1HZ LYS 27 HZ1 LYS 27 7.268 -3.203 8.427 197 2HZ LYS 27 HZ2 LYS 27 7.548 -2.003 9.586 198 3HZ LYS 27 HZ3 LYS 27 7.277 -1.575 7.972 199 H THR 28 HN THR 28 2.368 1.966 8.166 200 HA THR 28 HA THR 28 2.412 2.314 5.248 201 HB THR 28 HB THR 28 1.702 4.493 7.223 202 HG1 THR 28 HG1 THR 28 -0.073 3.446 5.321 203 1HG2 THR 28 HG2 THR 28 1.679 5.975 5.563 204 2HG2 THR 28 HG2 THR 28 0.993 4.827 4.412 205 3HG2 THR 28 HG2 THR 28 2.727 4.826 4.732 206 H LEU 29 HN LEU 29 4.221 3.288 4.425 207 HA LEU 29 HA LEU 29 6.345 3.905 6.364 208 1HB LEU 29 HB1 LEU 29 6.583 1.934 4.731 209 2HB LEU 29 HB2 LEU 29 6.792 3.155 3.489 210 HG LEU 29 HG LEU 29 8.679 4.076 4.931 211 1HD1 LEU 29 HD2 LEU 29 8.179 2.991 7.008 212 2HD1 LEU 29 HD2 LEU 29 9.738 2.405 6.427 213 3HD1 LEU 29 HD2 LEU 29 8.299 1.400 6.256 214 1HD2 LEU 29 HD1 LEU 29 8.590 1.903 3.077 215 2HD2 LEU 29 HD1 LEU 29 9.873 1.617 4.253 216 3HD2 LEU 29 HD1 LEU 29 9.854 3.110 3.314 217 H ASP 30 HN ASP 30 6.587 6.017 6.594 218 HA ASP 30 HA ASP 30 6.190 7.762 4.263 219 1HB ASP 30 HB2 ASP 30 6.413 9.471 6.377 220 2HB ASP 30 HB1 ASP 30 4.888 8.827 5.778 221 H VAL 31 HN VAL 31 8.000 8.281 3.227 222 HA VAL 31 HA VAL 31 10.380 8.918 4.839 223 HB VAL 31 HB VAL 31 11.110 7.899 2.232 224 1HG1 VAL 31 HG2 VAL 31 12.009 7.863 4.972 225 2HG1 VAL 31 HG2 VAL 31 12.933 7.665 3.482 226 3HG1 VAL 31 HG2 VAL 31 12.160 6.268 4.232 227 1HG2 VAL 31 HG1 VAL 31 9.194 6.313 3.818 228 2HG2 VAL 31 HG1 VAL 31 10.623 5.452 3.244 229 3HG2 VAL 31 HG1 VAL 31 9.560 6.263 2.093 230 H ARG 32 HN ARG 32 9.069 11.033 4.346 231 HA ARG 32 HA ARG 32 9.258 12.182 1.769 232 1HB ARG 32 HB1 ARG 32 9.349 14.048 4.045 233 2HB ARG 32 HB2 ARG 32 8.249 13.996 2.675 234 1HG ARG 32 HG2 ARG 32 6.808 12.513 3.724 235 2HG ARG 32 HG1 ARG 32 8.038 11.977 4.870 236 1HD ARG 32 HD1 ARG 32 7.950 14.543 5.559 237 2HD ARG 32 HD2 ARG 32 6.315 14.392 4.915 238 HE ARG 32 HE ARG 32 5.751 13.187 6.768 239 1HH1 ARG 32 HH1 ARG 32 9.222 13.182 6.454 240 2HH1 ARG 32 HH1 ARG 32 9.486 12.386 7.970 241 1HH2 ARG 32 HH2 ARG 32 6.088 12.142 8.762 242 2HH2 ARG 32 HH2 ARG 32 7.702 11.796 9.283 243 H GLY 33 HN GLY 33 10.831 13.773 4.455 244 1HA GLY 33 HA1 GLY 33 13.097 14.446 2.811 245 2HA GLY 33 HA2 GLY 33 12.853 14.905 4.489 246 H GLU 34 HN GLU 34 14.434 12.792 2.339 247 HA GLU 34 HA GLU 34 15.098 10.781 4.284 248 1HB GLU 34 HB1 GLU 34 15.602 11.254 1.416 249 2HB GLU 34 HB2 GLU 34 16.863 10.369 2.263 250 1HG GLU 34 HG1 GLU 34 15.015 8.853 3.115 251 2HG GLU 34 HG2 GLU 34 13.978 9.627 1.919 252 H VAL 35 HN VAL 35 17.020 10.459 5.332 253 HA VAL 35 HA VAL 35 19.100 12.498 5.040 254 HB VAL 35 HB VAL 35 19.074 11.812 7.751 255 1HG1 VAL 35 HG2 VAL 35 18.351 14.320 7.861 256 2HG1 VAL 35 HG2 VAL 35 18.623 14.263 6.119 257 3HG1 VAL 35 HG2 VAL 35 19.937 13.875 7.229 258 1HG2 VAL 35 HG1 VAL 35 16.858 11.213 7.901 259 2HG2 VAL 35 HG1 VAL 35 16.370 12.310 6.610 260 3HG2 VAL 35 HG1 VAL 35 16.765 12.946 8.208 261 H CYS 36 HN CYS 36 18.989 10.145 7.571 262 HA CYS 36 HA CYS 36 21.493 9.005 6.746 263 1HB CYS 36 HB2 CYS 36 19.621 8.161 8.973 264 2HB CYS 36 HB1 CYS 36 21.288 7.633 8.770 265 HG CYS 36 HG CYS 36 20.941 10.654 9.142 266 HA PRO 37 HA PRO 37 20.020 5.507 4.490 267 1HB PRO 37 HB1 PRO 37 21.746 3.546 5.181 268 2HB PRO 37 HB2 PRO 37 22.224 4.923 4.182 269 1HG PRO 37 HG1 PRO 37 22.623 4.483 7.120 270 2HG PRO 37 HG2 PRO 37 23.775 5.093 5.916 271 1HD PRO 37 HD2 PRO 37 22.411 6.730 7.590 272 2HD PRO 37 HD1 PRO 37 22.874 7.215 5.946 273 H VAL 38 HN VAL 38 19.059 5.896 7.419 274 HA VAL 38 HA VAL 38 18.656 3.380 8.583 275 HB VAL 38 HB VAL 38 16.762 5.714 8.818 276 1HG1 VAL 38 HG2 VAL 38 15.675 4.208 10.073 277 2HG1 VAL 38 HG2 VAL 38 16.941 4.515 11.262 278 3HG1 VAL 38 HG2 VAL 38 17.073 3.137 10.169 279 1HG2 VAL 38 HG1 VAL 38 19.479 5.764 9.373 280 2HG2 VAL 38 HG1 VAL 38 18.719 5.469 10.937 281 3HG2 VAL 38 HG1 VAL 38 18.258 6.880 9.986 282 HA PRO 39 HA PRO 39 14.296 3.387 6.331 283 1HB PRO 39 HB2 PRO 39 14.975 4.976 3.924 284 2HB PRO 39 HB1 PRO 39 13.496 4.970 4.890 285 1HG PRO 39 HG2 PRO 39 15.214 7.007 5.022 286 2HG PRO 39 HG1 PRO 39 14.364 6.428 6.468 287 1HD PRO 39 HD1 PRO 39 17.188 5.940 5.603 288 2HD PRO 39 HD2 PRO 39 16.547 6.262 7.228 289 H ASP 40 HN ASP 40 17.414 3.386 4.776 290 HA ASP 40 HA ASP 40 16.793 1.711 2.588 291 1HB ASP 40 HB2 ASP 40 19.242 2.687 3.918 292 2HB ASP 40 HB1 ASP 40 19.414 1.158 3.060 293 H VAL 41 HN VAL 41 18.391 0.935 5.684 294 HA VAL 41 HA VAL 41 18.181 -1.888 5.256 295 HB VAL 41 HB VAL 41 18.644 -0.602 7.935 296 1HG1 VAL 41 HG2 VAL 41 18.519 -2.897 8.215 297 2HG1 VAL 41 HG2 VAL 41 20.250 -2.635 8.011 298 3HG1 VAL 41 HG2 VAL 41 19.284 -3.233 6.662 299 1HG2 VAL 41 HG1 VAL 41 20.427 0.457 7.126 300 2HG2 VAL 41 HG1 VAL 41 20.247 -0.310 5.549 301 3HG2 VAL 41 HG1 VAL 41 21.142 -1.127 6.830 302 H GLU 42 HN GLU 42 16.149 0.541 6.633 303 HA GLU 42 HA GLU 42 14.582 -1.097 8.326 304 1HB GLU 42 HB1 GLU 42 14.627 1.383 8.441 305 2HB GLU 42 HB2 GLU 42 13.769 1.447 6.907 306 1HG GLU 42 HG2 GLU 42 11.840 0.412 7.870 307 2HG GLU 42 HG1 GLU 42 12.699 0.109 9.379 308 H THR 43 HN THR 43 13.960 0.130 5.037 309 HA THR 43 HA THR 43 11.554 -1.242 4.637 310 HB THR 43 HB THR 43 12.354 0.628 3.219 311 HG1 THR 43 HG1 THR 43 12.003 -0.863 1.155 312 1HG2 THR 43 HG2 THR 43 13.804 -0.124 1.234 313 2HG2 THR 43 HG2 THR 43 14.371 -1.381 2.333 314 3HG2 THR 43 HG2 THR 43 14.587 0.319 2.751 315 H LYS 44 HN LYS 44 14.897 -2.212 4.099 316 HA LYS 44 HA LYS 44 14.523 -4.528 2.625 317 1HB LYS 44 HB1 LYS 44 16.592 -3.531 4.499 318 2HB LYS 44 HB2 LYS 44 16.593 -5.263 4.199 319 1HG LYS 44 HG1 LYS 44 16.411 -3.546 1.812 320 2HG LYS 44 HG2 LYS 44 17.934 -3.487 2.702 321 1HD LYS 44 HD1 LYS 44 16.760 -6.157 2.134 322 2HD LYS 44 HD2 LYS 44 17.492 -5.274 0.792 323 1HE LYS 44 HE2 LYS 44 19.522 -5.839 1.485 324 2HE LYS 44 HE1 LYS 44 19.215 -5.105 3.059 325 1HZ LYS 44 HZ1 LYS 44 17.905 -7.617 2.820 326 2HZ LYS 44 HZ2 LYS 44 19.018 -7.097 3.982 327 3HZ LYS 44 HZ3 LYS 44 19.564 -7.777 2.533 328 H ARG 45 HN ARG 45 14.316 -4.045 6.122 329 HA ARG 45 HA ARG 45 13.909 -6.770 6.778 330 1HB ARG 45 HB1 ARG 45 14.631 -4.931 8.344 331 2HB ARG 45 HB2 ARG 45 12.961 -4.388 8.361 332 1HG ARG 45 HG2 ARG 45 13.454 -7.237 8.984 333 2HG ARG 45 HG1 ARG 45 13.961 -6.047 10.184 334 1HD ARG 45 HD1 ARG 45 11.211 -6.036 8.974 335 2HD ARG 45 HD2 ARG 45 11.604 -6.989 10.404 336 HE ARG 45 HE ARG 45 11.662 -4.052 10.233 337 1HH1 ARG 45 HH2 ARG 45 11.611 -6.994 12.103 338 2HH1 ARG 45 HH2 ARG 45 11.348 -6.182 13.609 339 1HH2 ARG 45 HH1 ARG 45 11.315 -2.978 12.213 340 2HH2 ARG 45 HH1 ARG 45 11.180 -3.901 13.672 341 H ALA 46 HN ALA 46 11.786 -4.162 5.824 342 HA ALA 46 HA ALA 46 9.328 -5.243 6.618 343 1HB ALA 46 HB1 ALA 46 8.366 -3.528 5.476 344 2HB ALA 46 HB2 ALA 46 9.445 -3.695 4.091 345 3HB ALA 46 HB3 ALA 46 10.015 -2.910 5.564 346 H LEU 47 HN LEU 47 11.034 -5.508 3.499 347 HA LEU 47 HA LEU 47 9.137 -7.085 2.186 348 1HB LEU 47 HB2 LEU 47 12.109 -6.803 1.860 349 2HB LEU 47 HB1 LEU 47 11.174 -7.892 0.857 350 HG LEU 47 HG LEU 47 11.377 -5.964 -0.442 351 1HD1 LEU 47 HD2 LEU 47 9.222 -5.532 -0.929 352 2HD1 LEU 47 HD2 LEU 47 8.820 -5.094 0.731 353 3HD1 LEU 47 HD2 LEU 47 8.915 -6.792 0.266 354 1HD2 LEU 47 HD1 LEU 47 11.366 -3.768 0.292 355 2HD2 LEU 47 HD1 LEU 47 12.164 -4.622 1.614 356 3HD2 LEU 47 HD1 LEU 47 10.468 -4.156 1.760 357 H GLN 48 HN GLN 48 11.887 -8.018 4.211 358 HA GLN 48 HA GLN 48 11.472 -10.827 3.834 359 1HB GLN 48 HB1 GLN 48 13.401 -9.118 5.144 360 2HB GLN 48 HB2 GLN 48 12.946 -10.455 6.192 361 1HG GLN 48 HG1 GLN 48 13.536 -12.043 4.450 362 2HG GLN 48 HG2 GLN 48 13.952 -10.715 3.367 363 1HE2 GLN 48 HE2 GLN 48 15.814 -12.580 3.802 364 2HE2 GLN 48 HE2 GLN 48 17.078 -11.974 4.812 365 H ASN 49 HN ASN 49 10.002 -8.454 5.763 366 HA ASN 49 HA ASN 49 8.857 -10.527 7.520 367 1HB ASN 49 HB2 ASN 49 10.225 -8.224 8.271 368 2HB ASN 49 HB1 ASN 49 8.530 -7.793 8.478 369 1HD2 ASN 49 HD2 ASN 49 11.052 -10.023 9.427 370 2HD2 ASN 49 HD2 ASN 49 10.298 -10.551 10.888 371 H MET 50 HN MET 50 7.539 -10.596 5.356 372 HA MET 50 HA MET 50 5.311 -8.681 5.525 373 1HB MET 50 HB2 MET 50 6.364 -10.348 3.251 374 2HB MET 50 HB1 MET 50 4.770 -9.612 3.207 375 1HG MET 50 HG1 MET 50 7.437 -8.260 3.276 376 2HG MET 50 HG2 MET 50 6.166 -8.141 2.061 377 1HE MET 50 HE1 MET 50 5.906 -5.378 2.044 378 2HE MET 50 HE2 MET 50 7.470 -5.688 2.800 379 3HE MET 50 HE3 MET 50 6.353 -4.533 3.526 380 H LYS 51 HN LYS 51 3.188 -9.407 5.566 381 HA LYS 51 HA LYS 51 2.878 -12.186 6.458 382 1HB LYS 51 HB1 LYS 51 0.841 -9.983 6.745 383 2HB LYS 51 HB2 LYS 51 0.932 -11.497 7.635 384 1HG LYS 51 HG2 LYS 51 2.890 -10.749 8.812 385 2HG LYS 51 HG1 LYS 51 2.958 -9.279 7.837 386 1HD LYS 51 HD1 LYS 51 1.683 -8.278 9.358 387 2HD LYS 51 HD2 LYS 51 0.370 -9.370 8.912 388 1HE LYS 51 HE1 LYS 51 0.835 -9.392 11.330 389 2HE LYS 51 HE2 LYS 51 1.078 -10.969 10.578 390 1HZ LYS 51 HZ1 LYS 51 3.317 -9.085 11.011 391 2HZ LYS 51 HZ2 LYS 51 3.388 -10.747 10.703 392 3HZ LYS 51 HZ3 LYS 51 2.835 -10.187 12.200 393 HA PRO 52 HA PRO 52 0.505 -13.782 3.139 394 1HB PRO 52 HB1 PRO 52 -2.053 -14.014 4.346 395 2HB PRO 52 HB2 PRO 52 -0.826 -15.271 4.183 396 1HG PRO 52 HG2 PRO 52 -1.447 -13.520 6.498 397 2HG PRO 52 HG1 PRO 52 -0.805 -15.173 6.473 398 1HD PRO 52 HD2 PRO 52 0.761 -13.089 7.066 399 2HD PRO 52 HD1 PRO 52 1.374 -14.454 6.107 400 H GLY 53 HN GLY 53 -2.113 -12.011 4.775 401 1HA GLY 53 HA1 GLY 53 -2.619 -10.634 2.227 402 2HA GLY 53 HA2 GLY 53 -3.817 -10.928 3.474 403 H GLU 54 HN GLU 54 -0.623 -9.338 3.295 404 HA GLU 54 HA GLU 54 -1.614 -7.254 5.071 405 1HB GLU 54 HB2 GLU 54 1.046 -8.193 4.213 406 2HB GLU 54 HB1 GLU 54 0.906 -6.454 4.452 407 1HG GLU 54 HG1 GLU 54 0.068 -8.475 6.509 408 2HG GLU 54 HG2 GLU 54 1.676 -7.756 6.442 409 H ILE 55 HN ILE 55 -1.536 -5.045 4.604 410 HA ILE 55 HA ILE 55 -1.290 -4.281 1.783 411 HB ILE 55 HB ILE 55 -3.522 -3.271 3.543 412 1HG1 ILE 55 HG1 ILE 55 -4.803 -4.694 1.638 413 2HG1 ILE 55 HG1 ILE 55 -3.347 -5.670 1.804 414 1HG2 ILE 55 HG2 ILE 55 -2.713 -2.863 0.695 415 2HG2 ILE 55 HG2 ILE 55 -3.154 -1.669 1.916 416 3HG2 ILE 55 HG2 ILE 55 -4.399 -2.676 1.178 417 1HD1 ILE 55 HD1 ILE 55 -3.830 -6.261 3.972 418 2HD1 ILE 55 HD1 ILE 55 -5.433 -6.206 3.237 419 3HD1 ILE 55 HD1 ILE 55 -4.873 -4.863 4.234 420 H LEU 56 HN LEU 56 0.319 -2.828 1.752 421 HA LEU 56 HA LEU 56 0.544 -0.953 4.011 422 1HB LEU 56 HB2 LEU 56 2.682 -2.115 2.236 423 2HB LEU 56 HB1 LEU 56 2.965 -0.843 3.406 424 HG LEU 56 HG LEU 56 3.573 -2.532 4.747 425 1HD1 LEU 56 HD2 LEU 56 1.520 -1.805 5.813 426 2HD1 LEU 56 HD2 LEU 56 1.784 -3.529 6.072 427 3HD1 LEU 56 HD2 LEU 56 0.603 -2.987 4.880 428 1HD2 LEU 56 HD1 LEU 56 1.839 -4.418 3.166 429 2HD2 LEU 56 HD1 LEU 56 3.015 -4.869 4.400 430 3HD2 LEU 56 HD1 LEU 56 3.558 -4.129 2.895 431 H GLU 57 HN GLU 57 0.991 1.186 3.635 432 HA GLU 57 HA GLU 57 0.714 2.095 0.844 433 1HB GLU 57 HB1 GLU 57 -1.140 2.817 2.278 434 2HB GLU 57 HB2 GLU 57 0.000 3.535 3.408 435 1HG GLU 57 HG2 GLU 57 0.748 5.051 1.580 436 2HG GLU 57 HG1 GLU 57 -0.562 4.410 0.588 437 H VAL 58 HN VAL 58 2.287 3.395 -0.005 438 HA VAL 58 HA VAL 58 4.376 4.370 1.821 439 HB VAL 58 HB VAL 58 5.186 3.284 -0.843 440 1HG1 VAL 58 HG2 VAL 58 7.173 3.908 -0.080 441 2HG1 VAL 58 HG2 VAL 58 7.024 2.726 1.221 442 3HG1 VAL 58 HG2 VAL 58 6.460 4.380 1.463 443 1HG2 VAL 58 HG1 VAL 58 4.843 1.150 -0.336 444 2HG2 VAL 58 HG1 VAL 58 3.917 1.677 1.069 445 3HG2 VAL 58 HG1 VAL 58 5.642 1.345 1.224 446 H TRP 59 HN TRP 59 4.880 6.424 1.521 447 HA TRP 59 HA TRP 59 4.428 7.628 -1.129 448 1HB TRP 59 HB1 TRP 59 4.226 9.799 0.473 449 2HB TRP 59 HB2 TRP 59 2.841 8.871 -0.089 450 HD1 TRP 59 HD1 TRP 59 5.235 8.115 2.879 451 HE1 TRP 59 HE1 TRP 59 3.796 7.855 4.997 452 HE3 TRP 59 HE3 TRP 59 0.648 9.170 0.882 453 HZ2 TRP 59 HZ2 TRP 59 1.079 8.068 5.725 454 HZ3 TRP 59 HZ3 TRP 59 -1.321 9.120 2.357 455 HH2 TRP 59 HH2 TRP 59 -1.107 8.581 4.729 456 H ILE 60 HN ILE 60 6.302 8.154 -2.013 457 HA ILE 60 HA ILE 60 8.375 9.427 -0.401 458 HB ILE 60 HB ILE 60 9.634 7.505 -2.146 459 1HG1 ILE 60 HG1 ILE 60 9.028 5.584 -0.425 460 2HG1 ILE 60 HG1 ILE 60 7.528 6.495 -0.285 461 1HG2 ILE 60 HG2 ILE 60 11.177 7.628 -0.556 462 2HG2 ILE 60 HG2 ILE 60 10.039 7.117 0.690 463 3HG2 ILE 60 HG2 ILE 60 10.143 8.817 0.235 464 1HD1 ILE 60 HD1 ILE 60 7.798 4.549 -2.023 465 2HD1 ILE 60 HD1 ILE 60 8.517 5.830 -3.001 466 3HD1 ILE 60 HD1 ILE 60 6.866 5.997 -2.405 467 H ASP 61 HN ASP 61 10.418 9.506 -2.151 468 HA ASP 61 HA ASP 61 9.284 10.977 -4.428 469 1HB ASP 61 HB1 ASP 61 12.112 11.400 -4.103 470 2HB ASP 61 HB2 ASP 61 10.800 12.571 -4.004 471 H TYR 62 HN TYR 62 10.835 8.127 -3.584 472 HA TYR 62 HA TYR 62 11.596 7.652 -6.385 473 1HB TYR 62 HB1 TYR 62 13.148 6.987 -3.890 474 2HB TYR 62 HB2 TYR 62 13.408 6.112 -5.395 475 HD1 TYR 62 HD1 TYR 62 13.846 9.299 -3.655 476 HD2 TYR 62 HD2 TYR 62 14.445 7.203 -7.308 477 HE1 TYR 62 HE1 TYR 62 15.397 11.056 -4.402 478 HE2 TYR 62 HE2 TYR 62 15.997 8.954 -8.066 479 HH TYR 62 HH TYR 62 17.392 11.158 -6.085 480 HA PRO 63 HA PRO 63 8.927 4.144 -6.047 481 1HB PRO 63 HB2 PRO 63 9.983 2.555 -7.987 482 2HB PRO 63 HB1 PRO 63 8.996 3.979 -8.332 483 1HG PRO 63 HG1 PRO 63 11.978 3.687 -8.352 484 2HG PRO 63 HG2 PRO 63 10.928 4.521 -9.513 485 1HD PRO 63 HD1 PRO 63 12.311 5.847 -7.611 486 2HD PRO 63 HD2 PRO 63 10.715 6.387 -8.168 487 H MET 64 HN MET 64 9.509 3.373 -3.980 488 HA MET 64 HA MET 64 11.833 1.815 -3.488 489 1HB MET 64 HB1 MET 64 9.371 2.530 -2.014 490 2HB MET 64 HB2 MET 64 10.135 1.024 -1.528 491 1HG MET 64 HG1 MET 64 12.098 3.104 -1.807 492 2HG MET 64 HG2 MET 64 10.801 3.611 -0.727 493 1HE MET 64 HE1 MET 64 12.493 3.435 1.793 494 2HE MET 64 HE2 MET 64 13.327 3.753 0.273 495 3HE MET 64 HE3 MET 64 13.932 2.508 1.367 496 H SER 65 HN SER 65 8.891 1.160 -5.039 497 HA SER 65 HA SER 65 8.517 -1.558 -4.440 498 1HB SER 65 HB2 SER 65 6.674 -0.901 -5.575 499 2HB SER 65 HB1 SER 65 7.551 0.346 -6.461 500 HG SER 65 HG SER 65 8.097 -1.097 -7.988 501 H LYS 66 HN LYS 66 10.964 0.008 -6.196 502 HA LYS 66 HA LYS 66 11.614 -1.857 -8.165 503 1HB LYS 66 HB1 LYS 66 13.813 -0.864 -8.191 504 2HB LYS 66 HB2 LYS 66 12.625 0.407 -7.947 505 1HG LYS 66 HG1 LYS 66 13.454 0.965 -5.950 506 2HG LYS 66 HG2 LYS 66 13.674 -0.718 -5.464 507 1HD LYS 66 HD2 LYS 66 15.861 -0.088 -5.592 508 2HD LYS 66 HD1 LYS 66 15.615 -0.595 -7.265 509 1HE LYS 66 HE2 LYS 66 16.767 1.540 -7.185 510 2HE LYS 66 HE1 LYS 66 15.166 1.728 -7.898 511 1HZ LYS 66 HZ1 LYS 66 15.014 2.114 -5.109 512 2HZ LYS 66 HZ2 LYS 66 14.655 3.205 -6.350 513 3HZ LYS 66 HZ3 LYS 66 16.229 3.108 -5.740 514 H GLU 67 HN GLU 67 12.235 -1.855 -4.726 515 HA GLU 67 HA GLU 67 13.871 -4.270 -4.931 516 1HB GLU 67 HB1 GLU 67 14.058 -2.103 -3.271 517 2HB GLU 67 HB2 GLU 67 13.198 -3.250 -2.254 518 1HG GLU 67 HG2 GLU 67 15.064 -4.353 -1.831 519 2HG GLU 67 HG1 GLU 67 15.377 -4.568 -3.552 520 H ARG 68 HN ARG 68 10.714 -3.159 -4.016 521 HA ARG 68 HA ARG 68 9.903 -5.397 -2.499 522 1HB ARG 68 HB1 ARG 68 8.263 -3.444 -4.127 523 2HB ARG 68 HB2 ARG 68 7.595 -4.603 -2.986 524 1HG ARG 68 HG1 ARG 68 9.101 -3.492 -1.246 525 2HG ARG 68 HG2 ARG 68 9.285 -2.194 -2.429 526 1HD ARG 68 HD2 ARG 68 6.651 -2.355 -2.493 527 2HD ARG 68 HD1 ARG 68 6.887 -3.035 -0.883 528 HE ARG 68 HE ARG 68 7.347 -0.296 -1.709 529 1HH1 ARG 68 HH1 ARG 68 7.862 -2.748 0.715 530 2HH1 ARG 68 HH1 ARG 68 8.186 -1.611 1.980 531 1HH2 ARG 68 HH2 ARG 68 7.773 1.207 -0.049 532 2HH2 ARG 68 HH2 ARG 68 8.136 0.638 1.546 533 H ILE 69 HN ILE 69 9.971 -4.770 -5.954 534 HA ILE 69 HA ILE 69 8.265 -6.845 -6.765 535 HB ILE 69 HB ILE 69 10.555 -5.586 -8.266 536 1HG1 ILE 69 HG1 ILE 69 7.652 -5.090 -8.800 537 2HG1 ILE 69 HG1 ILE 69 8.421 -4.271 -7.444 538 1HG2 ILE 69 HG2 ILE 69 8.314 -7.322 -9.291 539 2HG2 ILE 69 HG2 ILE 69 10.019 -7.769 -9.200 540 3HG2 ILE 69 HG2 ILE 69 9.502 -6.478 -10.286 541 1HD1 ILE 69 HD1 ILE 69 8.310 -3.098 -9.734 542 2HD1 ILE 69 HD1 ILE 69 9.651 -4.160 -10.160 543 3HD1 ILE 69 HD1 ILE 69 9.810 -3.037 -8.809 544 HA PRO 70 HA PRO 70 12.305 -9.532 -7.471 545 1HB PRO 70 HB2 PRO 70 14.306 -8.888 -5.656 546 2HB PRO 70 HB1 PRO 70 14.297 -8.457 -7.368 547 1HG PRO 70 HG1 PRO 70 13.544 -6.818 -4.994 548 2HG PRO 70 HG2 PRO 70 14.381 -6.330 -6.479 549 1HD PRO 70 HD1 PRO 70 11.792 -5.755 -6.067 550 2HD PRO 70 HD2 PRO 70 12.409 -6.160 -7.683 551 H GLU 71 HN GLU 71 11.475 -8.239 -4.285 552 HA GLU 71 HA GLU 71 12.006 -10.683 -2.905 553 1HB GLU 71 HB1 GLU 71 10.952 -8.023 -2.240 554 2HB GLU 71 HB2 GLU 71 10.272 -9.328 -1.278 555 1HG GLU 71 HG1 GLU 71 12.090 -8.674 -0.026 556 2HG GLU 71 HG2 GLU 71 12.725 -10.044 -0.934 557 H THR 72 HN THR 72 8.908 -9.022 -3.566 558 HA THR 72 HA THR 72 7.295 -11.173 -2.794 559 HB THR 72 HB THR 72 6.230 -9.418 -4.921 560 HG1 THR 72 HG1 THR 72 6.749 -7.614 -4.005 561 1HG2 THR 72 HG2 THR 72 4.306 -9.521 -3.779 562 2HG2 THR 72 HG2 THR 72 5.102 -9.451 -2.207 563 3HG2 THR 72 HG2 THR 72 5.050 -10.969 -3.101 564 H VAL 73 HN VAL 73 9.020 -10.599 -5.751 565 HA VAL 73 HA VAL 73 7.464 -12.430 -7.321 566 HB VAL 73 HB VAL 73 8.902 -10.541 -8.248 567 1HG1 VAL 73 HG1 VAL 73 11.034 -12.597 -7.710 568 2HG1 VAL 73 HG1 VAL 73 10.981 -10.924 -7.157 569 3HG1 VAL 73 HG1 VAL 73 11.222 -11.279 -8.867 570 1HG2 VAL 73 HG2 VAL 73 7.973 -12.872 -9.333 571 2HG2 VAL 73 HG2 VAL 73 9.672 -12.889 -9.802 572 3HG2 VAL 73 HG2 VAL 73 8.649 -11.521 -10.242 573 H LYS 74 HN LYS 74 10.206 -12.623 -5.191 574 HA LYS 74 HA LYS 74 11.233 -15.128 -5.947 575 1HB LYS 74 HB1 LYS 74 11.886 -13.295 -4.046 576 2HB LYS 74 HB2 LYS 74 11.138 -14.537 -3.050 577 1HG LYS 74 HG1 LYS 74 13.033 -15.673 -3.083 578 2HG LYS 74 HG2 LYS 74 12.881 -15.853 -4.833 579 1HD LYS 74 HD2 LYS 74 14.096 -13.817 -5.208 580 2HD LYS 74 HD1 LYS 74 14.111 -13.457 -3.480 581 1HE LYS 74 HE2 LYS 74 16.180 -14.369 -3.632 582 2HE LYS 74 HE1 LYS 74 15.266 -15.860 -3.410 583 1HZ LYS 74 HZ1 LYS 74 15.187 -16.046 -5.870 584 2HZ LYS 74 HZ2 LYS 74 16.748 -16.156 -5.229 585 3HZ LYS 74 HZ3 LYS 74 16.239 -14.725 -5.973 586 H LYS 75 HN LYS 75 8.650 -14.177 -3.740 587 HA LYS 75 HA LYS 75 7.878 -16.951 -3.313 588 1HB LYS 75 HB2 LYS 75 5.981 -15.874 -1.976 589 2HB LYS 75 HB1 LYS 75 7.612 -15.688 -1.352 590 1HG LYS 75 HG2 LYS 75 7.124 -13.470 -3.022 591 2HG LYS 75 HG1 LYS 75 5.696 -13.688 -2.013 592 1HD LYS 75 HD2 LYS 75 8.268 -13.952 -0.612 593 2HD LYS 75 HD1 LYS 75 7.913 -12.340 -1.240 594 1HE LYS 75 HE1 LYS 75 5.528 -13.198 -0.095 595 2HE LYS 75 HE2 LYS 75 6.779 -13.730 1.028 596 1HZ LYS 75 HZ1 LYS 75 7.412 -11.135 0.260 597 2HZ LYS 75 HZ2 LYS 75 6.889 -11.667 1.779 598 3HZ LYS 75 HZ3 LYS 75 5.762 -11.138 0.634 599 H LEU 76 HN LEU 76 5.801 -14.162 -4.084 600 HA LEU 76 HA LEU 76 4.362 -15.849 -6.003 601 1HB LEU 76 HB1 LEU 76 2.771 -13.746 -5.895 602 2HB LEU 76 HB2 LEU 76 2.700 -15.013 -4.684 603 HG LEU 76 HG LEU 76 4.579 -12.903 -3.968 604 1HD1 LEU 76 HD2 LEU 76 2.148 -11.659 -3.407 605 2HD1 LEU 76 HD2 LEU 76 2.064 -12.106 -5.112 606 3HD1 LEU 76 HD2 LEU 76 3.400 -11.112 -4.525 607 1HD2 LEU 76 HD1 LEU 76 3.017 -14.816 -2.715 608 2HD2 LEU 76 HD1 LEU 76 2.263 -13.284 -2.274 609 3HD2 LEU 76 HD1 LEU 76 3.971 -13.557 -1.930 610 H GLY 77 HN GLY 77 4.131 -12.403 -6.177 611 1HA GLY 77 HA2 GLY 77 6.004 -12.247 -8.414 612 2HA GLY 77 HA1 GLY 77 4.319 -11.868 -8.741 613 H HIS 78 HN HIS 78 3.346 -10.085 -7.548 614 HA HIS 78 HA HIS 78 5.195 -8.252 -6.249 615 1HB HIS 78 HB1 HIS 78 3.845 -6.480 -7.852 616 2HB HIS 78 HB2 HIS 78 5.485 -7.054 -8.140 617 HD2 HIS 78 HD2 HIS 78 5.737 -7.745 -10.696 618 HE1 HIS 78 HE1 HIS 78 1.841 -9.303 -11.257 619 HE2 HIS 78 HE2 HIS 78 4.083 -8.862 -12.355 620 H GLU 79 HN GLU 79 4.177 -6.675 -4.958 621 HA GLU 79 HA GLU 79 1.421 -7.331 -4.262 622 1HB GLU 79 HB1 GLU 79 2.472 -5.460 -2.441 623 2HB GLU 79 HB2 GLU 79 2.205 -7.177 -2.169 624 1HG GLU 79 HG1 GLU 79 4.530 -7.446 -3.303 625 2HG GLU 79 HG2 GLU 79 4.721 -5.744 -2.883 626 H VAL 80 HN VAL 80 1.266 -6.140 -6.504 627 HA VAL 80 HA VAL 80 1.220 -3.240 -6.158 628 HB VAL 80 HB VAL 80 2.322 -3.792 -8.149 629 1HG1 VAL 80 HG2 VAL 80 1.748 -6.137 -8.275 630 2HG1 VAL 80 HG2 VAL 80 1.417 -5.365 -9.827 631 3HG1 VAL 80 HG2 VAL 80 0.090 -5.736 -8.727 632 1HG2 VAL 80 HG1 VAL 80 1.095 -2.722 -9.811 633 2HG2 VAL 80 HG1 VAL 80 0.382 -2.112 -8.317 634 3HG2 VAL 80 HG1 VAL 80 -0.439 -3.376 -9.234 635 H LEU 81 HN LEU 81 -0.598 -2.168 -5.809 636 HA LEU 81 HA LEU 81 -3.137 -3.371 -6.632 637 1HB LEU 81 HB2 LEU 81 -4.170 -3.018 -4.573 638 2HB LEU 81 HB1 LEU 81 -2.599 -3.668 -4.152 639 HG LEU 81 HG LEU 81 -2.262 -0.885 -4.183 640 1HD1 LEU 81 HD1 LEU 81 -4.987 -1.640 -3.446 641 2HD1 LEU 81 HD1 LEU 81 -4.318 -0.064 -3.869 642 3HD1 LEU 81 HD1 LEU 81 -4.150 -0.682 -2.225 643 1HD2 LEU 81 HD2 LEU 81 -1.931 -1.179 -1.778 644 2HD2 LEU 81 HD2 LEU 81 -1.137 -2.452 -2.705 645 3HD2 LEU 81 HD2 LEU 81 -2.658 -2.783 -1.876 646 H GLU 82 HN GLU 82 -1.329 -0.478 -5.799 647 HA GLU 82 HA GLU 82 -2.957 1.027 -7.670 648 1HB GLU 82 HB2 GLU 82 -3.563 1.121 -4.929 649 2HB GLU 82 HB1 GLU 82 -2.753 2.637 -5.298 650 1HG GLU 82 HG2 GLU 82 -4.695 1.995 -7.322 651 2HG GLU 82 HG1 GLU 82 -5.429 1.992 -5.719 652 H ILE 83 HN ILE 83 -1.975 2.839 -8.497 653 HA ILE 83 HA ILE 83 0.579 3.715 -7.389 654 HB ILE 83 HB ILE 83 0.328 2.937 -10.298 655 1HG1 ILE 83 HG1 ILE 83 2.337 1.396 -9.212 656 2HG1 ILE 83 HG1 ILE 83 1.130 1.402 -7.929 657 1HG2 ILE 83 HG2 ILE 83 3.009 3.241 -9.382 658 2HG2 ILE 83 HG2 ILE 83 2.091 4.685 -8.954 659 3HG2 ILE 83 HG2 ILE 83 2.155 4.145 -10.632 660 1HD1 ILE 83 HD1 ILE 83 1.034 -0.469 -9.653 661 2HD1 ILE 83 HD1 ILE 83 0.401 0.751 -10.758 662 3HD1 ILE 83 HD1 ILE 83 -0.470 0.371 -9.272 663 H GLU 84 HN GLU 84 0.714 5.893 -7.449 664 HA GLU 84 HA GLU 84 -0.612 7.388 -9.567 665 1HB GLU 84 HB2 GLU 84 -1.731 8.872 -7.863 666 2HB GLU 84 HB1 GLU 84 -2.419 7.262 -8.031 667 1HG GLU 84 HG2 GLU 84 -0.911 6.635 -6.051 668 2HG GLU 84 HG1 GLU 84 -0.762 8.374 -5.803 669 H GLU 85 HN GLU 85 -0.386 9.866 -8.912 670 HA GLU 85 HA GLU 85 2.329 10.319 -7.874 671 1HB GLU 85 HB2 GLU 85 1.406 11.988 -10.160 672 2HB GLU 85 HB1 GLU 85 3.031 11.480 -9.726 673 1HG GLU 85 HG2 GLU 85 2.876 9.514 -10.864 674 2HG GLU 85 HG1 GLU 85 1.129 9.402 -10.652 675 H VAL 86 HN VAL 86 2.729 12.640 -7.348 676 HA VAL 86 HA VAL 86 0.244 13.983 -6.503 677 HB VAL 86 HB VAL 86 2.835 13.897 -4.956 678 1HG1 VAL 86 HG1 VAL 86 0.342 14.836 -3.696 679 2HG1 VAL 86 HG1 VAL 86 1.026 15.902 -4.923 680 3HG1 VAL 86 HG1 VAL 86 1.994 15.428 -3.527 681 1HG2 VAL 86 HG2 VAL 86 2.031 11.851 -4.427 682 2HG2 VAL 86 HG2 VAL 86 0.379 12.263 -4.888 683 3HG2 VAL 86 HG2 VAL 86 1.015 12.783 -3.326 684 H GLY 87 HN GLY 87 3.693 14.864 -6.372 685 1HA GLY 87 HA1 GLY 87 3.021 17.254 -7.977 686 2HA GLY 87 HA2 GLY 87 4.111 17.305 -6.600 687 HA PRO 88 HA PRO 88 6.967 17.159 -10.141 688 1HB PRO 88 HB1 PRO 88 8.902 17.713 -7.969 689 2HB PRO 88 HB2 PRO 88 8.652 18.559 -9.499 690 1HG PRO 88 HG2 PRO 88 7.862 19.636 -7.186 691 2HG PRO 88 HG1 PRO 88 6.900 19.825 -8.664 692 1HD PRO 88 HD1 PRO 88 6.465 17.991 -6.338 693 2HD PRO 88 HD2 PRO 88 5.278 18.919 -7.279 694 H SER 89 HN SER 89 8.825 16.272 -7.281 695 HA SER 89 HA SER 89 9.349 13.669 -8.514 696 1HB SER 89 HB2 SER 89 11.291 13.584 -6.943 697 2HB SER 89 HB1 SER 89 11.338 14.967 -8.036 698 HG SER 89 HG SER 89 10.007 15.519 -5.729 699 H GLU 90 HN GLU 90 7.242 14.861 -6.369 700 HA GLU 90 HA GLU 90 7.443 12.693 -4.423 701 1HB GLU 90 HB2 GLU 90 5.268 13.961 -3.586 702 2HB GLU 90 HB1 GLU 90 6.879 14.555 -3.214 703 1HG GLU 90 HG1 GLU 90 6.517 15.866 -5.486 704 2HG GLU 90 HG2 GLU 90 4.824 15.650 -5.045 705 H TRP 91 HN TRP 91 6.423 10.831 -4.754 706 HA TRP 91 HA TRP 91 3.882 10.865 -6.231 707 1HB TRP 91 HB2 TRP 91 6.037 8.773 -6.588 708 2HB TRP 91 HB1 TRP 91 4.498 8.852 -7.438 709 HD1 TRP 91 HD1 TRP 91 4.308 11.566 -8.678 710 HE1 TRP 91 HE1 TRP 91 6.047 12.496 -10.332 711 HE3 TRP 91 HE3 TRP 91 8.281 8.604 -7.426 712 HZ2 TRP 91 HZ2 TRP 91 8.747 12.034 -11.015 713 HZ3 TRP 91 HZ3 TRP 91 10.406 8.911 -8.628 714 HH2 TRP 91 HH2 TRP 91 10.633 10.591 -10.385 715 H LYS 92 HN LYS 92 2.619 8.832 -5.917 716 HA LYS 92 HA LYS 92 3.058 7.740 -3.216 717 1HB LYS 92 HB1 LYS 92 0.855 9.225 -4.182 718 2HB LYS 92 HB2 LYS 92 0.302 7.564 -4.011 719 1HG LYS 92 HG1 LYS 92 1.606 7.877 -1.674 720 2HG LYS 92 HG2 LYS 92 1.057 9.529 -1.961 721 1HD LYS 92 HD1 LYS 92 -0.917 7.366 -2.393 722 2HD LYS 92 HD2 LYS 92 -0.445 7.697 -0.724 723 1HE LYS 92 HE2 LYS 92 -0.862 10.189 -1.450 724 2HE LYS 92 HE1 LYS 92 -1.873 9.434 -2.680 725 1HZ LYS 92 HZ1 LYS 92 -2.733 8.144 -0.547 726 2HZ LYS 92 HZ2 LYS 92 -3.398 9.618 -1.042 727 3HZ LYS 92 HZ3 LYS 92 -2.256 9.582 0.205 728 H ILE 93 HN ILE 93 2.798 5.565 -2.922 729 HA ILE 93 HA ILE 93 1.944 3.954 -5.219 730 HB ILE 93 HB ILE 93 4.470 3.447 -3.640 731 1HG1 ILE 93 HG1 ILE 93 5.169 3.562 -6.288 732 2HG1 ILE 93 HG1 ILE 93 3.904 4.784 -6.202 733 1HG2 ILE 93 HG2 ILE 93 3.463 1.350 -4.165 734 2HG2 ILE 93 HG2 ILE 93 4.794 1.600 -5.294 735 3HG2 ILE 93 HG2 ILE 93 3.131 1.859 -5.820 736 1HD1 ILE 93 HD1 ILE 93 5.365 5.445 -4.039 737 2HD1 ILE 93 HD1 ILE 93 5.606 6.126 -5.647 738 3HD1 ILE 93 HD1 ILE 93 6.618 4.791 -5.094 739 H TYR 94 HN TYR 94 0.957 2.026 -4.710 740 HA TYR 94 HA TYR 94 0.514 1.514 -1.845 741 1HB TYR 94 HB1 TYR 94 -1.375 1.598 -4.142 742 2HB TYR 94 HB2 TYR 94 -1.659 0.377 -2.906 743 HD1 TYR 94 HD1 TYR 94 -1.618 3.963 -3.634 744 HD2 TYR 94 HD2 TYR 94 -2.324 1.005 -0.659 745 HE1 TYR 94 HE1 TYR 94 -2.740 5.648 -2.235 746 HE2 TYR 94 HE2 TYR 94 -3.447 2.681 0.748 747 HH TYR 94 HH TYR 94 -3.361 6.057 0.012 748 H ILE 95 HN ILE 95 1.128 -0.392 -1.127 749 HA ILE 95 HA ILE 95 1.608 -2.578 -3.049 750 HB ILE 95 HB ILE 95 3.215 -1.712 -0.644 751 1HG1 ILE 95 HG1 ILE 95 3.661 -0.479 -2.718 752 2HG1 ILE 95 HG1 ILE 95 5.039 -1.476 -2.265 753 1HG2 ILE 95 HG2 ILE 95 4.667 -3.615 -1.003 754 2HG2 ILE 95 HG2 ILE 95 3.633 -4.180 -2.315 755 3HG2 ILE 95 HG2 ILE 95 3.021 -4.150 -0.661 756 1HD1 ILE 95 HD1 ILE 95 3.165 -1.763 -4.552 757 2HD1 ILE 95 HD1 ILE 95 3.947 -3.199 -3.894 758 3HD1 ILE 95 HD1 ILE 95 4.925 -1.868 -4.511 759 H LYS 96 HN LYS 96 1.119 -4.724 -2.335 760 HA LYS 96 HA LYS 96 0.023 -5.038 0.332 761 1HB LYS 96 HB2 LYS 96 -2.012 -4.327 -0.434 762 2HB LYS 96 HB1 LYS 96 -1.712 -4.874 -2.078 763 1HG LYS 96 HG1 LYS 96 -1.830 -7.184 -0.475 764 2HG LYS 96 HG2 LYS 96 -3.175 -6.151 0.011 765 1HD LYS 96 HD1 LYS 96 -2.802 -6.288 -2.880 766 2HD LYS 96 HD2 LYS 96 -3.160 -7.853 -2.145 767 1HE LYS 96 HE2 LYS 96 -5.129 -6.870 -1.052 768 2HE LYS 96 HE1 LYS 96 -4.780 -5.327 -1.833 769 1HZ LYS 96 HZ1 LYS 96 -4.823 -7.180 -3.863 770 2HZ LYS 96 HZ2 LYS 96 -6.019 -6.036 -3.511 771 3HZ LYS 96 HZ3 LYS 96 -6.130 -7.599 -2.875 772 H VAL 97 HN VAL 97 1.012 -6.809 0.982 773 HA VAL 97 HA VAL 97 1.977 -8.854 -0.705 774 HB VAL 97 HB VAL 97 1.345 -9.388 2.172 775 1HG1 VAL 97 HG2 VAL 97 3.155 -10.827 2.103 776 2HG1 VAL 97 HG2 VAL 97 3.905 -9.984 0.746 777 3HG1 VAL 97 HG2 VAL 97 2.481 -10.990 0.481 778 1HG2 VAL 97 HG1 VAL 97 2.218 -7.250 2.460 779 2HG2 VAL 97 HG1 VAL 97 3.362 -7.433 1.129 780 3HG2 VAL 97 HG1 VAL 97 3.626 -8.298 2.644 781 H LYS 98 HN LYS 98 0.892 -10.421 -1.703 782 HA LYS 98 HA LYS 98 -1.869 -10.960 -0.960 783 1HB LYS 98 HB1 LYS 98 -0.658 -10.764 -3.386 784 2HB LYS 98 HB2 LYS 98 -0.644 -12.507 -3.156 785 1HG LYS 98 HG2 LYS 98 -3.053 -12.508 -2.843 786 2HG LYS 98 HG1 LYS 98 -3.087 -10.751 -3.014 787 1HD LYS 98 HD2 LYS 98 -2.567 -10.836 -5.283 788 2HD LYS 98 HD1 LYS 98 -1.921 -12.474 -5.169 789 1HE LYS 98 HE1 LYS 98 -4.176 -12.224 -6.296 790 2HE LYS 98 HE2 LYS 98 -4.067 -13.425 -5.010 791 1HZ LYS 98 HZ1 LYS 98 -5.153 -11.957 -3.510 792 2HZ LYS 98 HZ2 LYS 98 -6.080 -12.000 -4.923 793 3HZ LYS 98 HZ3 LYS 98 -5.086 -10.669 -4.603 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -7.828 19.590 32.153 2 2H GLY 1 HT2 GLY 1 -7.027 18.341 31.339 3 3H GLY 1 HT3 GLY 1 -8.716 18.431 31.298 4 1HA GLY 1 HA1 GLY 1 -7.705 19.193 29.214 5 2HA GLY 1 HA2 GLY 1 -8.664 20.431 30.011 6 H SER 2 HN SER 2 -6.479 20.691 32.084 7 HA SER 2 HA SER 2 -4.627 22.284 30.435 8 1HB SER 2 HB2 SER 2 -4.388 23.767 32.429 9 2HB SER 2 HB1 SER 2 -6.027 23.741 31.779 10 HG SER 2 HG SER 2 -6.723 22.787 33.538 11 H SER 3 HN SER 3 -4.972 19.918 32.938 12 HA SER 3 HA SER 3 -2.054 19.874 33.321 13 1HB SER 3 HB1 SER 3 -4.310 19.507 35.143 14 2HB SER 3 HB2 SER 3 -3.124 18.207 35.257 15 HG SER 3 HG SER 3 -2.498 20.972 35.383 16 H HIS 4 HN HIS 4 -4.127 18.528 31.343 17 HA HIS 4 HA HIS 4 -3.387 15.736 31.722 18 1HB HIS 4 HB1 HIS 4 -5.702 16.769 30.894 19 2HB HIS 4 HB2 HIS 4 -4.912 16.640 29.326 20 HD2 HIS 4 HD2 HIS 4 -6.063 14.464 28.252 21 HE1 HIS 4 HE1 HIS 4 -5.549 11.900 31.581 22 HE2 HIS 4 HE2 HIS 4 -6.326 12.051 29.172 23 H HIS 5 HN HIS 5 -1.443 15.148 31.015 24 HA HIS 5 HA HIS 5 -0.652 15.932 28.304 25 1HB HIS 5 HB2 HIS 5 1.008 16.227 30.805 26 2HB HIS 5 HB1 HIS 5 1.740 16.123 29.207 27 HD2 HIS 5 HD2 HIS 5 0.550 18.208 27.408 28 HE1 HIS 5 HE1 HIS 5 0.280 20.840 30.711 29 HE2 HIS 5 HE2 HIS 5 0.238 20.666 28.182 30 H HIS 6 HN HIS 6 -1.704 13.619 28.405 31 HA HIS 6 HA HIS 6 0.532 11.712 28.532 32 1HB HIS 6 HB1 HIS 6 -1.498 11.656 30.335 33 2HB HIS 6 HB2 HIS 6 -2.161 10.619 29.075 34 HD2 HIS 6 HD2 HIS 6 -1.862 8.354 30.650 35 HE1 HIS 6 HE1 HIS 6 2.370 8.483 30.649 36 HE2 HIS 6 HE2 HIS 6 0.330 7.092 31.229 37 H HIS 7 HN HIS 7 -0.610 9.492 27.525 38 HA HIS 7 HA HIS 7 -0.742 10.041 24.755 39 1HB HIS 7 HB1 HIS 7 -0.111 7.846 26.121 40 2HB HIS 7 HB2 HIS 7 -1.805 7.466 25.826 41 HD2 HIS 7 HD2 HIS 7 0.733 5.844 24.392 42 HE1 HIS 7 HE1 HIS 7 -0.818 7.696 20.917 43 HE2 HIS 7 HE2 HIS 7 0.665 5.838 21.798 44 H HIS 8 HN HIS 8 -2.457 9.882 23.302 45 HA HIS 8 HA HIS 8 -4.985 10.768 24.321 46 1HB HIS 8 HB2 HIS 8 -4.306 9.934 21.494 47 2HB HIS 8 HB1 HIS 8 -5.654 10.944 22.005 48 HD2 HIS 8 HD2 HIS 8 -5.115 13.602 22.310 49 HE1 HIS 8 HE1 HIS 8 -0.987 13.320 21.410 50 HE2 HIS 8 HE2 HIS 8 -2.923 14.905 21.828 51 H HIS 9 HN HIS 9 -7.011 9.690 23.224 52 HA HIS 9 HA HIS 9 -6.887 6.842 23.938 53 1HB HIS 9 HB2 HIS 9 -8.735 8.940 24.553 54 2HB HIS 9 HB1 HIS 9 -9.578 7.700 23.631 55 HD2 HIS 9 HD2 HIS 9 -7.980 5.123 25.009 56 HE1 HIS 9 HE1 HIS 9 -9.745 6.663 28.535 57 HE2 HIS 9 HE2 HIS 9 -8.652 4.638 27.469 58 H SER 10 HN SER 10 -6.661 8.626 21.262 59 HA SER 10 HA SER 10 -8.589 7.471 19.529 60 1HB SER 10 HB2 SER 10 -7.021 8.332 17.718 61 2HB SER 10 HB1 SER 10 -7.616 9.541 18.856 62 HG SER 10 HG SER 10 -5.335 8.411 19.755 63 H SER 11 HN SER 11 -8.594 5.260 19.621 64 HA SER 11 HA SER 11 -6.130 3.774 19.286 65 1HB SER 11 HB1 SER 11 -8.999 2.838 19.542 66 2HB SER 11 HB2 SER 11 -7.594 1.776 19.489 67 HG SER 11 HG SER 11 -7.287 2.164 21.521 68 H GLY 12 HN GLY 12 -9.210 3.064 17.689 69 1HA GLY 12 HA2 GLY 12 -7.763 2.487 15.232 70 2HA GLY 12 HA1 GLY 12 -9.453 2.132 15.555 71 H LEU 13 HN LEU 13 -7.823 5.251 15.901 72 HA LEU 13 HA LEU 13 -9.771 6.392 14.040 73 1HB LEU 13 HB2 LEU 13 -9.278 7.317 16.395 74 2HB LEU 13 HB1 LEU 13 -7.800 7.946 15.692 75 HG LEU 13 HG LEU 13 -9.410 9.026 13.939 76 1HD1 LEU 13 HD2 LEU 13 -11.411 7.834 14.728 77 2HD1 LEU 13 HD2 LEU 13 -11.594 9.587 14.818 78 3HD1 LEU 13 HD2 LEU 13 -11.270 8.656 16.281 79 1HD2 LEU 13 HD1 LEU 13 -8.023 10.296 15.458 80 2HD2 LEU 13 HD1 LEU 13 -9.163 10.016 16.774 81 3HD2 LEU 13 HD1 LEU 13 -9.639 11.001 15.390 82 H VAL 14 HN VAL 14 -8.730 5.513 12.155 83 HA VAL 14 HA VAL 14 -6.060 6.079 11.446 84 HB VAL 14 HB VAL 14 -6.941 5.678 9.056 85 1HG1 VAL 14 HG1 VAL 14 -6.754 3.368 9.338 86 2HG1 VAL 14 HG1 VAL 14 -7.469 3.414 10.950 87 3HG1 VAL 14 HG1 VAL 14 -5.840 4.037 10.690 88 1HG2 VAL 14 HG2 VAL 14 -9.243 6.151 9.283 89 2HG2 VAL 14 HG2 VAL 14 -9.399 5.098 10.688 90 3HG2 VAL 14 HG2 VAL 14 -9.126 4.402 9.091 91 HA PRO 15 HA PRO 15 -6.156 10.370 10.398 92 1HB PRO 15 HB1 PRO 15 -4.225 9.659 8.262 93 2HB PRO 15 HB2 PRO 15 -4.061 10.812 9.590 94 1HG PRO 15 HG1 PRO 15 -2.769 8.480 9.636 95 2HG PRO 15 HG2 PRO 15 -3.464 9.171 11.115 96 1HD PRO 15 HD1 PRO 15 -4.498 6.956 9.387 97 2HD PRO 15 HD2 PRO 15 -4.495 7.096 11.158 98 H ARG 16 HN ARG 16 -5.686 8.425 7.437 99 HA ARG 16 HA ARG 16 -7.353 10.224 5.926 100 1HB ARG 16 HB1 ARG 16 -5.629 7.879 5.327 101 2HB ARG 16 HB2 ARG 16 -6.932 8.220 4.197 102 1HG ARG 16 HG2 ARG 16 -4.832 10.208 5.038 103 2HG ARG 16 HG1 ARG 16 -4.782 9.246 3.558 104 1HD ARG 16 HD2 ARG 16 -7.233 10.309 3.319 105 2HD ARG 16 HD1 ARG 16 -6.452 11.584 4.253 106 HE ARG 16 HE ARG 16 -4.831 10.818 2.061 107 1HH1 ARG 16 HH2 ARG 16 -7.720 12.597 2.855 108 2HH1 ARG 16 HH2 ARG 16 -7.596 13.659 1.492 109 1HH2 ARG 16 HH1 ARG 16 -4.660 12.212 0.262 110 2HH2 ARG 16 HH1 ARG 16 -5.859 13.440 0.019 111 H GLY 17 HN GLY 17 -8.575 8.627 8.135 112 1HA GLY 17 HA2 GLY 17 -10.296 6.716 6.816 113 2HA GLY 17 HA1 GLY 17 -10.372 7.199 8.503 114 H SER 18 HN SER 18 -11.106 8.323 5.219 115 HA SER 18 HA SER 18 -12.746 10.480 6.018 116 1HB SER 18 HB2 SER 18 -13.696 9.993 3.565 117 2HB SER 18 HB1 SER 18 -12.125 10.751 3.829 118 HG SER 18 HG SER 18 -11.916 9.048 2.370 119 H HIS 19 HN HIS 19 -14.159 7.968 4.005 120 HA HIS 19 HA HIS 19 -16.138 7.376 6.080 121 1HB HIS 19 HB2 HIS 19 -16.826 9.258 4.380 122 2HB HIS 19 HB1 HIS 19 -17.109 7.902 3.294 123 HD2 HIS 19 HD2 HIS 19 -19.854 8.681 3.469 124 HE1 HIS 19 HE1 HIS 19 -20.283 7.042 7.347 125 HE2 HIS 19 HE2 HIS 19 -21.514 7.953 5.326 126 H MET 20 HN MET 20 -16.547 6.605 2.692 127 HA MET 20 HA MET 20 -16.571 3.788 3.316 128 1HB MET 20 HB2 MET 20 -17.436 5.503 1.090 129 2HB MET 20 HB1 MET 20 -16.822 3.932 0.596 130 1HG MET 20 HG1 MET 20 -19.221 3.861 0.889 131 2HG MET 20 HG2 MET 20 -18.421 2.836 2.078 132 1HE MET 20 HE1 MET 20 -21.197 3.981 1.666 133 2HE MET 20 HE2 MET 20 -21.515 5.595 2.298 134 3HE MET 20 HE3 MET 20 -21.751 4.183 3.328 135 H ALA 21 HN ALA 21 -14.046 4.755 3.798 136 HA ALA 21 HA ALA 21 -12.334 4.321 1.524 137 1HB ALA 21 HB1 ALA 21 -12.002 5.179 4.310 138 2HB ALA 21 HB2 ALA 21 -11.186 5.726 2.845 139 3HB ALA 21 HB3 ALA 21 -10.655 4.251 3.652 140 H LYS 22 HN LYS 22 -12.330 2.288 0.742 141 HA LYS 22 HA LYS 22 -12.326 0.015 2.546 142 1HB LYS 22 HB2 LYS 22 -12.429 0.270 -0.458 143 2HB LYS 22 HB1 LYS 22 -12.287 -1.285 0.353 144 1HG LYS 22 HG1 LYS 22 -14.469 -1.355 0.712 145 2HG LYS 22 HG2 LYS 22 -14.437 0.221 1.506 146 1HD LYS 22 HD1 LYS 22 -14.222 1.020 -1.040 147 2HD LYS 22 HD2 LYS 22 -15.108 -0.487 -1.289 148 1HE LYS 22 HE1 LYS 22 -16.586 0.453 0.678 149 2HE LYS 22 HE2 LYS 22 -15.938 1.997 0.127 150 1HZ LYS 22 HZ1 LYS 22 -17.893 0.284 -1.108 151 2HZ LYS 22 HZ2 LYS 22 -16.697 0.817 -2.177 152 3HZ LYS 22 HZ3 LYS 22 -17.622 1.940 -1.315 153 H TYR 23 HN TYR 23 -10.022 1.802 2.523 154 HA TYR 23 HA TYR 23 -7.931 0.070 1.406 155 1HB TYR 23 HB2 TYR 23 -7.603 2.842 2.567 156 2HB TYR 23 HB1 TYR 23 -6.427 1.938 1.616 157 HD1 TYR 23 HD1 TYR 23 -8.890 4.437 1.502 158 HD2 TYR 23 HD2 TYR 23 -7.256 1.252 -0.796 159 HE1 TYR 23 HE1 TYR 23 -9.760 5.477 -0.549 160 HE2 TYR 23 HE2 TYR 23 -8.120 2.283 -2.854 161 HH TYR 23 HH TYR 23 -8.755 4.928 -3.461 162 H GLN 24 HN GLN 24 -7.847 -1.552 2.930 163 HA GLN 24 HA GLN 24 -7.589 -0.901 5.736 164 1HB GLN 24 HB1 GLN 24 -8.425 -3.152 4.253 165 2HB GLN 24 HB2 GLN 24 -6.998 -3.654 5.150 166 1HG GLN 24 HG1 GLN 24 -9.068 -2.138 6.626 167 2HG GLN 24 HG2 GLN 24 -9.449 -3.793 6.155 168 1HE2 GLN 24 HE2 GLN 24 -7.378 -5.261 6.528 169 2HE2 GLN 24 HE2 GLN 24 -6.743 -5.159 8.131 170 H VAL 25 HN VAL 25 -5.579 0.398 4.938 171 HA VAL 25 HA VAL 25 -3.177 -1.140 4.558 172 HB VAL 25 HB VAL 25 -3.499 1.794 5.185 173 1HG1 VAL 25 HG2 VAL 25 -1.129 0.086 4.584 174 2HG1 VAL 25 HG2 VAL 25 -1.304 1.398 5.750 175 3HG1 VAL 25 HG2 VAL 25 -1.152 1.761 4.032 176 1HG2 VAL 25 HG1 VAL 25 -4.126 2.044 3.069 177 2HG2 VAL 25 HG1 VAL 25 -3.991 0.307 2.801 178 3HG2 VAL 25 HG1 VAL 25 -2.591 1.350 2.547 179 H THR 26 HN THR 26 -1.700 -1.742 6.062 180 HA THR 26 HA THR 26 -2.458 -1.342 8.857 181 HB THR 26 HB THR 26 -0.223 -3.162 8.239 182 HG1 THR 26 HG1 THR 26 -2.747 -3.446 7.059 183 1HG2 THR 26 HG2 THR 26 -2.467 -4.411 9.470 184 2HG2 THR 26 HG2 THR 26 -2.135 -2.874 10.266 185 3HG2 THR 26 HG2 THR 26 -0.865 -4.088 10.131 186 H LYS 27 HN LYS 27 0.498 -1.290 6.845 187 HA LYS 27 HA LYS 27 1.643 0.582 8.815 188 1HB LYS 27 HB2 LYS 27 2.649 -1.919 7.886 189 2HB LYS 27 HB1 LYS 27 3.717 -0.651 7.300 190 1HG LYS 27 HG2 LYS 27 3.215 -0.004 9.964 191 2HG LYS 27 HG1 LYS 27 3.451 -1.752 9.942 192 1HD LYS 27 HD2 LYS 27 5.494 -1.123 8.405 193 2HD LYS 27 HD1 LYS 27 5.346 0.433 9.228 194 1HE LYS 27 HE1 LYS 27 6.897 -0.844 10.480 195 2HE LYS 27 HE2 LYS 27 5.393 -0.842 11.399 196 1HZ LYS 27 HZ1 LYS 27 6.655 -3.041 9.912 197 2HZ LYS 27 HZ2 LYS 27 4.976 -3.040 10.118 198 3HZ LYS 27 HZ3 LYS 27 5.994 -3.040 11.470 199 H THR 28 HN THR 28 2.941 2.270 8.053 200 HA THR 28 HA THR 28 2.816 2.787 5.158 201 HB THR 28 HB THR 28 2.273 4.763 7.383 202 HG1 THR 28 HG1 THR 28 0.303 4.914 5.907 203 1HG2 THR 28 HG2 THR 28 3.475 5.950 5.708 204 2HG2 THR 28 HG2 THR 28 1.765 6.353 5.547 205 3HG2 THR 28 HG2 THR 28 2.513 5.215 4.425 206 H LEU 29 HN LEU 29 4.770 3.089 4.322 207 HA LEU 29 HA LEU 29 6.939 3.926 6.121 208 1HB LEU 29 HB1 LEU 29 7.087 1.678 4.989 209 2HB LEU 29 HB2 LEU 29 7.210 2.534 3.462 210 HG LEU 29 HG LEU 29 9.141 3.459 5.447 211 1HD1 LEU 29 HD1 LEU 29 9.301 0.611 4.472 212 2HD1 LEU 29 HD1 LEU 29 9.063 1.127 6.141 213 3HD1 LEU 29 HD1 LEU 29 10.580 1.486 5.316 214 1HD2 LEU 29 HD2 LEU 29 9.249 2.501 2.600 215 2HD2 LEU 29 HD2 LEU 29 10.666 3.041 3.500 216 3HD2 LEU 29 HD2 LEU 29 9.337 4.160 3.193 217 H ASP 30 HN ASP 30 7.824 5.848 5.834 218 HA ASP 30 HA ASP 30 7.643 7.128 3.193 219 1HB ASP 30 HB2 ASP 30 7.566 9.270 4.894 220 2HB ASP 30 HB1 ASP 30 6.153 8.550 4.126 221 H VAL 31 HN VAL 31 9.568 7.705 2.440 222 HA VAL 31 HA VAL 31 11.753 8.155 4.371 223 HB VAL 31 HB VAL 31 12.161 7.174 1.554 224 1HG1 VAL 31 HG2 VAL 31 14.287 6.302 2.819 225 2HG1 VAL 31 HG2 VAL 31 13.881 7.593 3.949 226 3HG1 VAL 31 HG2 VAL 31 14.195 7.970 2.255 227 1HG2 VAL 31 HG1 VAL 31 11.388 5.679 3.981 228 2HG2 VAL 31 HG1 VAL 31 12.689 4.989 3.010 229 3HG2 VAL 31 HG1 VAL 31 11.115 5.304 2.279 230 H ARG 32 HN ARG 32 10.630 10.381 4.125 231 HA ARG 32 HA ARG 32 10.988 11.910 1.791 232 1HB ARG 32 HB2 ARG 32 10.015 12.322 4.439 233 2HB ARG 32 HB1 ARG 32 11.162 13.604 4.077 234 1HG ARG 32 HG2 ARG 32 9.819 13.793 1.851 235 2HG ARG 32 HG1 ARG 32 8.561 12.967 2.773 236 1HD ARG 32 HD2 ARG 32 8.274 15.376 2.901 237 2HD ARG 32 HD1 ARG 32 8.674 14.711 4.485 238 HE ARG 32 HE ARG 32 10.964 15.528 4.101 239 1HH1 ARG 32 HH2 ARG 32 8.363 16.887 2.223 240 2HH1 ARG 32 HH2 ARG 32 9.196 18.372 1.905 241 1HH2 ARG 32 HH1 ARG 32 12.068 17.478 3.688 242 2HH2 ARG 32 HH1 ARG 32 11.303 18.707 2.737 243 H GLY 33 HN GLY 33 12.330 14.144 2.213 244 1HA GLY 33 HA2 GLY 33 15.062 13.341 1.968 245 2HA GLY 33 HA1 GLY 33 14.455 14.990 1.934 246 H GLU 34 HN GLU 34 15.348 12.329 4.080 247 HA GLU 34 HA GLU 34 15.742 14.275 6.252 248 1HB GLU 34 HB1 GLU 34 15.551 12.436 7.802 249 2HB GLU 34 HB2 GLU 34 14.181 12.395 6.704 250 1HG GLU 34 HG1 GLU 34 16.362 10.806 5.696 251 2HG GLU 34 HG2 GLU 34 15.902 10.308 7.323 252 H VAL 35 HN VAL 35 17.424 12.477 7.777 253 HA VAL 35 HA VAL 35 19.905 12.829 6.260 254 HB VAL 35 HB VAL 35 20.425 12.371 9.007 255 1HG1 VAL 35 HG2 VAL 35 21.543 13.748 6.989 256 2HG1 VAL 35 HG2 VAL 35 21.925 14.025 8.688 257 3HG1 VAL 35 HG2 VAL 35 20.762 15.065 7.866 258 1HG2 VAL 35 HG1 VAL 35 18.506 13.235 9.859 259 2HG2 VAL 35 HG1 VAL 35 18.156 14.165 8.401 260 3HG2 VAL 35 HG1 VAL 35 19.352 14.753 9.558 261 H CYS 36 HN CYS 36 19.557 10.933 9.152 262 HA CYS 36 HA CYS 36 21.165 8.844 8.345 263 1HB CYS 36 HB1 CYS 36 19.788 7.536 10.152 264 2HB CYS 36 HB2 CYS 36 20.795 8.898 10.632 265 HG CYS 36 HG CYS 36 17.700 9.094 10.375 266 HA PRO 37 HA PRO 37 18.586 6.470 5.625 267 1HB PRO 37 HB1 PRO 37 20.001 4.200 5.515 268 2HB PRO 37 HB2 PRO 37 20.618 5.702 4.818 269 1HG PRO 37 HG1 PRO 37 21.285 4.410 7.437 270 2HG PRO 37 HG2 PRO 37 22.369 5.166 6.256 271 1HD PRO 37 HD2 PRO 37 21.468 6.415 8.527 272 2HD PRO 37 HD1 PRO 37 21.964 7.274 7.057 273 H VAL 38 HN VAL 38 17.986 6.472 8.558 274 HA VAL 38 HA VAL 38 17.511 3.957 9.602 275 HB VAL 38 HB VAL 38 16.185 6.609 10.002 276 1HG1 VAL 38 HG2 VAL 38 15.180 3.955 10.957 277 2HG1 VAL 38 HG2 VAL 38 14.276 5.340 10.343 278 3HG1 VAL 38 HG2 VAL 38 14.981 5.392 11.960 279 1HG2 VAL 38 HG1 VAL 38 17.022 5.545 12.417 280 2HG2 VAL 38 HG1 VAL 38 17.885 6.728 11.433 281 3HG2 VAL 38 HG1 VAL 38 18.246 5.011 11.265 282 HA PRO 39 HA PRO 39 13.139 3.944 7.498 283 1HB PRO 39 HB1 PRO 39 12.804 5.569 5.341 284 2HB PRO 39 HB2 PRO 39 12.381 6.045 6.989 285 1HG PRO 39 HG1 PRO 39 14.833 6.692 5.399 286 2HG PRO 39 HG2 PRO 39 13.863 7.751 6.440 287 1HD PRO 39 HD1 PRO 39 16.195 6.664 7.260 288 2HD PRO 39 HD2 PRO 39 14.842 6.955 8.373 289 H ASP 40 HN ASP 40 16.128 4.317 5.778 290 HA ASP 40 HA ASP 40 15.387 2.925 3.409 291 1HB ASP 40 HB2 ASP 40 17.730 4.204 4.448 292 2HB ASP 40 HB1 ASP 40 18.168 2.596 3.876 293 H VAL 41 HN VAL 41 17.402 1.918 6.175 294 HA VAL 41 HA VAL 41 17.473 -0.815 5.424 295 HB VAL 41 HB VAL 41 17.817 0.130 8.255 296 1HG1 VAL 41 HG2 VAL 41 19.749 -1.616 7.943 297 2HG1 VAL 41 HG2 VAL 41 18.746 -2.169 6.602 298 3HG1 VAL 41 HG2 VAL 41 18.094 -2.149 8.241 299 1HG2 VAL 41 HG1 VAL 41 19.381 0.902 5.902 300 2HG2 VAL 41 HG1 VAL 41 20.338 0.231 7.222 301 3HG2 VAL 41 HG1 VAL 41 19.306 1.633 7.505 302 H GLU 42 HN GLU 42 15.070 1.103 6.848 303 HA GLU 42 HA GLU 42 13.785 -0.870 8.448 304 1HB GLU 42 HB1 GLU 42 13.398 1.498 8.843 305 2HB GLU 42 HB2 GLU 42 12.742 1.690 7.222 306 1HG GLU 42 HG2 GLU 42 10.720 1.012 7.844 307 2HG GLU 42 HG1 GLU 42 11.363 -0.358 8.749 308 H THR 43 HN THR 43 13.112 0.429 5.197 309 HA THR 43 HA THR 43 10.934 -1.279 4.663 310 HB THR 43 HB THR 43 11.444 0.816 3.412 311 HG1 THR 43 HG1 THR 43 10.595 0.044 1.562 312 1HG2 THR 43 HG2 THR 43 13.487 1.099 2.604 313 2HG2 THR 43 HG2 THR 43 13.005 -0.004 1.314 314 3HG2 THR 43 HG2 THR 43 13.865 -0.618 2.725 315 H LYS 44 HN LYS 44 14.391 -1.668 4.314 316 HA LYS 44 HA LYS 44 14.429 -3.891 2.603 317 1HB LYS 44 HB1 LYS 44 16.316 -2.384 4.000 318 2HB LYS 44 HB2 LYS 44 16.484 -4.005 4.660 319 1HG LYS 44 HG2 LYS 44 18.012 -3.814 2.861 320 2HG LYS 44 HG1 LYS 44 16.689 -4.846 2.311 321 1HD LYS 44 HD2 LYS 44 16.504 -3.501 0.546 322 2HD LYS 44 HD1 LYS 44 15.887 -2.268 1.647 323 1HE LYS 44 HE1 LYS 44 17.827 -1.101 1.645 324 2HE LYS 44 HE2 LYS 44 18.823 -2.549 1.509 325 1HZ LYS 44 HZ1 LYS 44 19.028 -1.328 -0.501 326 2HZ LYS 44 HZ2 LYS 44 17.351 -1.177 -0.670 327 3HZ LYS 44 HZ3 LYS 44 18.085 -2.690 -0.847 328 H ARG 45 HN ARG 45 14.318 -3.688 6.142 329 HA ARG 45 HA ARG 45 14.260 -6.477 6.594 330 1HB ARG 45 HB1 ARG 45 14.860 -4.710 8.268 331 2HB ARG 45 HB2 ARG 45 13.150 -4.321 8.385 332 1HG ARG 45 HG2 ARG 45 13.688 -7.157 8.745 333 2HG ARG 45 HG1 ARG 45 14.508 -6.140 9.931 334 1HD ARG 45 HD2 ARG 45 12.034 -5.013 9.870 335 2HD ARG 45 HD1 ARG 45 11.652 -6.710 9.584 336 HE ARG 45 HE ARG 45 13.307 -6.847 11.695 337 1HH1 ARG 45 HH1 ARG 45 10.489 -4.899 11.053 338 2HH1 ARG 45 HH1 ARG 45 10.025 -4.793 12.718 339 1HH2 ARG 45 HH2 ARG 45 12.704 -6.711 13.888 340 2HH2 ARG 45 HH2 ARG 45 11.285 -5.822 14.330 341 H ALA 46 HN ALA 46 11.797 -4.090 5.928 342 HA ALA 46 HA ALA 46 9.549 -5.607 6.731 343 1HB ALA 46 HB1 ALA 46 8.264 -4.034 5.307 344 2HB ALA 46 HB2 ALA 46 9.792 -3.364 4.733 345 3HB ALA 46 HB3 ALA 46 9.355 -3.232 6.437 346 H LEU 47 HN LEU 47 11.210 -5.250 3.622 347 HA LEU 47 HA LEU 47 9.450 -6.740 2.041 348 1HB LEU 47 HB2 LEU 47 12.359 -6.085 1.854 349 2HB LEU 47 HB1 LEU 47 11.652 -7.235 0.740 350 HG LEU 47 HG LEU 47 10.412 -5.644 -0.362 351 1HD1 LEU 47 HD2 LEU 47 9.066 -4.573 1.136 352 2HD1 LEU 47 HD2 LEU 47 10.197 -3.269 0.770 353 3HD1 LEU 47 HD2 LEU 47 10.392 -4.218 2.244 354 1HD2 LEU 47 HD1 LEU 47 12.804 -5.223 -0.669 355 2HD2 LEU 47 HD1 LEU 47 12.767 -4.069 0.665 356 3HD2 LEU 47 HD1 LEU 47 11.853 -3.744 -0.809 357 H GLN 48 HN GLN 48 12.156 -7.734 4.070 358 HA GLN 48 HA GLN 48 11.945 -10.501 3.289 359 1HB GLN 48 HB2 GLN 48 14.114 -10.181 3.863 360 2HB GLN 48 HB1 GLN 48 13.737 -8.852 4.948 361 1HG GLN 48 HG2 GLN 48 13.510 -10.205 6.761 362 2HG GLN 48 HG1 GLN 48 13.001 -11.594 5.802 363 1HE2 GLN 48 HE2 GLN 48 14.503 -12.801 7.096 364 2HE2 GLN 48 HE2 GLN 48 16.182 -12.797 6.693 365 H ASN 49 HN ASN 49 10.582 -8.451 5.712 366 HA ASN 49 HA ASN 49 9.444 -10.811 7.058 367 1HB ASN 49 HB2 ASN 49 10.877 -8.600 8.140 368 2HB ASN 49 HB1 ASN 49 9.213 -8.491 8.708 369 1HD2 ASN 49 HD2 ASN 49 8.560 -11.167 8.866 370 2HD2 ASN 49 HD2 ASN 49 9.504 -11.907 10.109 371 H MET 50 HN MET 50 7.960 -10.381 5.054 372 HA MET 50 HA MET 50 5.855 -8.463 5.781 373 1HB MET 50 HB1 MET 50 5.004 -8.915 3.458 374 2HB MET 50 HB2 MET 50 6.571 -8.121 3.531 375 1HG MET 50 HG1 MET 50 7.644 -10.305 3.146 376 2HG MET 50 HG2 MET 50 6.043 -11.027 2.993 377 1HE MET 50 HE1 MET 50 6.648 -7.330 0.903 378 2HE MET 50 HE2 MET 50 8.167 -8.063 0.389 379 3HE MET 50 HE3 MET 50 7.796 -7.916 2.107 380 H LYS 51 HN LYS 51 3.719 -9.122 6.020 381 HA LYS 51 HA LYS 51 3.409 -11.931 6.707 382 1HB LYS 51 HB1 LYS 51 1.298 -9.810 7.026 383 2HB LYS 51 HB2 LYS 51 1.493 -11.303 7.932 384 1HG LYS 51 HG2 LYS 51 3.835 -10.016 8.471 385 2HG LYS 51 HG1 LYS 51 2.693 -8.675 8.356 386 1HD LYS 51 HD1 LYS 51 1.268 -9.681 10.017 387 2HD LYS 51 HD2 LYS 51 2.275 -11.130 10.057 388 1HE LYS 51 HE2 LYS 51 3.338 -8.399 10.729 389 2HE LYS 51 HE1 LYS 51 2.606 -9.453 11.938 390 1HZ LYS 51 HZ1 LYS 51 4.527 -10.506 12.131 391 2HZ LYS 51 HZ2 LYS 51 5.230 -9.492 10.974 392 3HZ LYS 51 HZ3 LYS 51 4.492 -10.938 10.496 393 HA PRO 52 HA PRO 52 1.142 -13.614 3.376 394 1HB PRO 52 HB1 PRO 52 -1.239 -13.675 5.193 395 2HB PRO 52 HB2 PRO 52 -0.611 -14.935 4.124 396 1HG PRO 52 HG1 PRO 52 -0.126 -15.007 6.741 397 2HG PRO 52 HG2 PRO 52 1.117 -15.484 5.570 398 1HD PRO 52 HD2 PRO 52 0.934 -13.044 7.245 399 2HD PRO 52 HD1 PRO 52 2.366 -13.863 6.590 400 H GLY 53 HN GLY 53 -1.486 -11.883 5.059 401 1HA GLY 53 HA2 GLY 53 -2.126 -10.594 2.495 402 2HA GLY 53 HA1 GLY 53 -3.276 -10.895 3.786 403 H GLU 54 HN GLU 54 -0.156 -9.210 3.418 404 HA GLU 54 HA GLU 54 -1.117 -7.114 5.205 405 1HB GLU 54 HB2 GLU 54 1.531 -7.971 4.197 406 2HB GLU 54 HB1 GLU 54 1.335 -6.248 4.504 407 1HG GLU 54 HG2 GLU 54 0.399 -6.993 6.784 408 2HG GLU 54 HG1 GLU 54 1.179 -8.530 6.419 409 H ILE 55 HN ILE 55 -1.117 -4.908 4.681 410 HA ILE 55 HA ILE 55 -0.998 -4.213 1.836 411 HB ILE 55 HB ILE 55 -3.194 -3.132 3.584 412 1HG1 ILE 55 HG1 ILE 55 -3.571 -5.365 1.591 413 2HG1 ILE 55 HG1 ILE 55 -3.270 -5.684 3.296 414 1HG2 ILE 55 HG2 ILE 55 -4.196 -2.872 1.206 415 2HG2 ILE 55 HG2 ILE 55 -2.527 -3.072 0.672 416 3HG2 ILE 55 HG2 ILE 55 -2.954 -1.745 1.752 417 1HD1 ILE 55 HD1 ILE 55 -5.432 -5.487 3.679 418 2HD1 ILE 55 HD1 ILE 55 -5.717 -5.049 1.995 419 3HD1 ILE 55 HD1 ILE 55 -5.351 -3.796 3.181 420 H LEU 56 HN LEU 56 0.765 -2.909 1.923 421 HA LEU 56 HA LEU 56 0.773 -0.765 3.939 422 1HB LEU 56 HB2 LEU 56 3.229 -1.725 2.514 423 2HB LEU 56 HB1 LEU 56 3.108 -0.878 4.043 424 HG LEU 56 HG LEU 56 2.369 -3.761 3.536 425 1HD1 LEU 56 HD1 LEU 56 4.697 -3.674 3.626 426 2HD1 LEU 56 HD1 LEU 56 4.226 -4.053 5.282 427 3HD1 LEU 56 HD1 LEU 56 4.697 -2.409 4.854 428 1HD2 LEU 56 HD2 LEU 56 2.093 -3.813 6.023 429 2HD2 LEU 56 HD2 LEU 56 0.858 -2.903 5.150 430 3HD2 LEU 56 HD2 LEU 56 2.150 -2.050 5.998 431 H GLU 57 HN GLU 57 1.832 1.236 3.321 432 HA GLU 57 HA GLU 57 1.771 1.771 0.433 433 1HB GLU 57 HB2 GLU 57 0.405 3.609 0.614 434 2HB GLU 57 HB1 GLU 57 -0.271 2.602 1.885 435 1HG GLU 57 HG1 GLU 57 1.227 3.843 3.493 436 2HG GLU 57 HG2 GLU 57 1.558 4.964 2.173 437 H VAL 58 HN VAL 58 3.360 3.110 -0.324 438 HA VAL 58 HA VAL 58 5.281 4.112 1.673 439 HB VAL 58 HB VAL 58 6.020 3.232 -1.113 440 1HG1 VAL 58 HG2 VAL 58 7.633 3.813 1.367 441 2HG1 VAL 58 HG2 VAL 58 7.590 4.763 -0.118 442 3HG1 VAL 58 HG2 VAL 58 8.292 3.145 -0.126 443 1HG2 VAL 58 HG1 VAL 58 5.213 1.563 0.996 444 2HG2 VAL 58 HG1 VAL 58 6.972 1.453 0.921 445 3HG2 VAL 58 HG1 VAL 58 6.005 1.096 -0.509 446 H TRP 59 HN TRP 59 5.969 6.174 1.497 447 HA TRP 59 HA TRP 59 5.059 7.711 -0.853 448 1HB TRP 59 HB1 TRP 59 3.897 8.101 1.460 449 2HB TRP 59 HB2 TRP 59 5.368 8.985 1.848 450 HD1 TRP 59 HD1 TRP 59 5.217 9.851 -1.547 451 HE1 TRP 59 HE1 TRP 59 3.851 11.982 -2.006 452 HE3 TRP 59 HE3 TRP 59 2.635 10.126 2.858 453 HZ2 TRP 59 HZ2 TRP 59 1.934 13.572 -0.677 454 HZ3 TRP 59 HZ3 TRP 59 1.054 11.984 3.183 455 HH2 TRP 59 HH2 TRP 59 0.712 13.670 1.451 456 H ILE 60 HN ILE 60 6.784 8.235 -2.026 457 HA ILE 60 HA ILE 60 8.973 9.661 -0.819 458 HB ILE 60 HB ILE 60 10.508 7.891 -2.207 459 1HG1 ILE 60 HG1 ILE 60 8.456 6.246 -0.705 460 2HG1 ILE 60 HG1 ILE 60 8.548 6.366 -2.459 461 1HG2 ILE 60 HG2 ILE 60 9.946 7.390 0.681 462 2HG2 ILE 60 HG2 ILE 60 10.626 8.935 0.169 463 3HG2 ILE 60 HG2 ILE 60 11.490 7.435 -0.172 464 1HD1 ILE 60 HD1 ILE 60 9.951 4.665 -2.467 465 2HD1 ILE 60 HD1 ILE 60 9.949 4.622 -0.704 466 3HD1 ILE 60 HD1 ILE 60 11.112 5.636 -1.560 467 H ASP 61 HN ASP 61 10.800 9.836 -2.666 468 HA ASP 61 HA ASP 61 9.369 10.871 -4.999 469 1HB ASP 61 HB2 ASP 61 12.135 11.395 -3.902 470 2HB ASP 61 HB1 ASP 61 11.596 12.003 -5.464 471 H TYR 62 HN TYR 62 10.726 8.065 -4.159 472 HA TYR 62 HA TYR 62 11.438 7.430 -6.927 473 1HB TYR 62 HB1 TYR 62 13.159 6.997 -4.500 474 2HB TYR 62 HB2 TYR 62 13.296 5.933 -5.896 475 HD1 TYR 62 HD1 TYR 62 14.244 6.727 -7.979 476 HD2 TYR 62 HD2 TYR 62 13.843 9.334 -4.640 477 HE1 TYR 62 HE1 TYR 62 15.747 8.341 -9.066 478 HE2 TYR 62 HE2 TYR 62 15.345 10.955 -5.718 479 HH TYR 62 HH TYR 62 17.361 10.563 -7.700 480 HA PRO 63 HA PRO 63 8.919 3.903 -6.084 481 1HB PRO 63 HB1 PRO 63 9.649 2.249 -8.073 482 2HB PRO 63 HB2 PRO 63 8.766 3.750 -8.382 483 1HG PRO 63 HG1 PRO 63 11.695 3.182 -8.652 484 2HG PRO 63 HG2 PRO 63 10.625 4.080 -9.745 485 1HD PRO 63 HD1 PRO 63 12.298 5.277 -7.944 486 2HD PRO 63 HD2 PRO 63 10.784 6.008 -8.514 487 H MET 64 HN MET 64 9.694 3.156 -4.088 488 HA MET 64 HA MET 64 12.063 1.613 -3.797 489 1HB MET 64 HB1 MET 64 10.159 2.749 -2.087 490 2HB MET 64 HB2 MET 64 10.050 1.018 -1.801 491 1HG MET 64 HG1 MET 64 12.615 2.585 -1.720 492 2HG MET 64 HG2 MET 64 11.629 2.216 -0.306 493 1HE MET 64 HE1 MET 64 14.898 1.303 -1.133 494 2HE MET 64 HE2 MET 64 14.235 1.171 -2.762 495 3HE MET 64 HE3 MET 64 14.910 -0.251 -1.968 496 H SER 65 HN SER 65 9.000 0.929 -5.065 497 HA SER 65 HA SER 65 8.675 -1.778 -4.389 498 1HB SER 65 HB1 SER 65 7.292 -1.870 -6.508 499 2HB SER 65 HB2 SER 65 6.826 -0.610 -5.365 500 HG SER 65 HG SER 65 6.922 0.337 -7.361 501 H LYS 66 HN LYS 66 11.040 -0.272 -6.250 502 HA LYS 66 HA LYS 66 11.559 -2.089 -8.291 503 1HB LYS 66 HB2 LYS 66 13.903 -1.248 -8.180 504 2HB LYS 66 HB1 LYS 66 12.703 0.037 -8.210 505 1HG LYS 66 HG1 LYS 66 12.949 0.368 -5.825 506 2HG LYS 66 HG2 LYS 66 14.079 -0.985 -5.732 507 1HD LYS 66 HD2 LYS 66 15.333 0.445 -7.592 508 2HD LYS 66 HD1 LYS 66 14.479 1.761 -6.784 509 1HE LYS 66 HE2 LYS 66 15.678 -0.041 -4.872 510 2HE LYS 66 HE1 LYS 66 16.881 0.582 -6.001 511 1HZ LYS 66 HZ1 LYS 66 16.852 2.167 -4.347 512 2HZ LYS 66 HZ2 LYS 66 15.182 2.063 -4.104 513 3HZ LYS 66 HZ3 LYS 66 15.790 2.840 -5.478 514 H GLU 67 HN GLU 67 12.393 -2.199 -4.884 515 HA GLU 67 HA GLU 67 13.842 -4.714 -5.258 516 1HB GLU 67 HB2 GLU 67 13.696 -2.662 -3.121 517 2HB GLU 67 HB1 GLU 67 13.911 -4.325 -2.591 518 1HG GLU 67 HG1 GLU 67 15.680 -3.617 -4.780 519 2HG GLU 67 HG2 GLU 67 15.896 -2.587 -3.366 520 H ARG 68 HN ARG 68 10.856 -3.392 -4.099 521 HA ARG 68 HA ARG 68 9.942 -5.548 -2.554 522 1HB ARG 68 HB1 ARG 68 8.580 -3.344 -4.064 523 2HB ARG 68 HB2 ARG 68 7.626 -4.617 -3.315 524 1HG ARG 68 HG1 ARG 68 8.724 -4.077 -1.147 525 2HG ARG 68 HG2 ARG 68 9.502 -2.706 -1.941 526 1HD ARG 68 HD1 ARG 68 7.673 -1.461 -1.731 527 2HD ARG 68 HD2 ARG 68 6.678 -2.708 -2.481 528 HE ARG 68 HE ARG 68 6.146 -3.538 -0.361 529 1HH1 ARG 68 HH1 ARG 68 8.337 -0.834 -0.178 530 2HH1 ARG 68 HH1 ARG 68 8.066 -0.565 1.511 531 1HH2 ARG 68 HH2 ARG 68 5.785 -3.191 1.861 532 2HH2 ARG 68 HH2 ARG 68 6.616 -1.905 2.671 533 H ILE 69 HN ILE 69 9.820 -4.962 -6.038 534 HA ILE 69 HA ILE 69 8.054 -7.032 -6.708 535 HB ILE 69 HB ILE 69 10.283 -5.892 -8.390 536 1HG1 ILE 69 HG1 ILE 69 7.409 -5.180 -8.755 537 2HG1 ILE 69 HG1 ILE 69 8.267 -4.455 -7.401 538 1HG2 ILE 69 HG2 ILE 69 7.873 -7.537 -9.143 539 2HG2 ILE 69 HG2 ILE 69 9.569 -7.996 -9.300 540 3HG2 ILE 69 HG2 ILE 69 8.911 -6.696 -10.294 541 1HD1 ILE 69 HD1 ILE 69 8.223 -3.096 -9.497 542 2HD1 ILE 69 HD1 ILE 69 9.252 -4.324 -10.234 543 3HD1 ILE 69 HD1 ILE 69 9.830 -3.409 -8.841 544 HA PRO 70 HA PRO 70 12.177 -9.688 -7.625 545 1HB PRO 70 HB1 PRO 70 13.661 -8.487 -5.322 546 2HB PRO 70 HB2 PRO 70 14.286 -9.176 -6.825 547 1HG PRO 70 HG1 PRO 70 14.149 -6.541 -6.508 548 2HG PRO 70 HG2 PRO 70 13.749 -7.287 -8.066 549 1HD PRO 70 HD2 PRO 70 11.947 -6.122 -6.005 550 2HD PRO 70 HD1 PRO 70 11.763 -6.174 -7.767 551 H GLU 71 HN GLU 71 11.251 -8.585 -4.373 552 HA GLU 71 HA GLU 71 11.626 -11.130 -3.146 553 1HB GLU 71 HB1 GLU 71 10.211 -8.604 -2.338 554 2HB GLU 71 HB2 GLU 71 10.091 -10.058 -1.354 555 1HG GLU 71 HG2 GLU 71 12.653 -8.671 -2.110 556 2HG GLU 71 HG1 GLU 71 11.829 -8.531 -0.558 557 H THR 72 HN THR 72 8.673 -9.361 -4.073 558 HA THR 72 HA THR 72 6.876 -11.388 -3.421 559 HB THR 72 HB THR 72 6.285 -9.554 -5.704 560 HG1 THR 72 HG1 THR 72 7.098 -8.795 -3.174 561 1HG2 THR 72 HG2 THR 72 4.773 -10.698 -3.408 562 2HG2 THR 72 HG2 THR 72 4.364 -10.663 -5.123 563 3HG2 THR 72 HG2 THR 72 4.239 -9.193 -4.158 564 H VAL 73 HN VAL 73 8.624 -10.812 -6.461 565 HA VAL 73 HA VAL 73 7.217 -12.729 -7.964 566 HB VAL 73 HB VAL 73 9.007 -12.552 -9.564 567 1HG1 VAL 73 HG1 VAL 73 8.067 -10.031 -8.300 568 2HG1 VAL 73 HG1 VAL 73 7.612 -10.747 -9.845 569 3HG1 VAL 73 HG1 VAL 73 9.185 -9.972 -9.663 570 1HG2 VAL 73 HG2 VAL 73 10.647 -12.173 -7.356 571 2HG2 VAL 73 HG2 VAL 73 10.715 -10.654 -8.251 572 3HG2 VAL 73 HG2 VAL 73 11.129 -12.169 -9.052 573 H LYS 74 HN LYS 74 9.843 -12.914 -5.695 574 HA LYS 74 HA LYS 74 10.933 -15.404 -6.403 575 1HB LYS 74 HB1 LYS 74 11.367 -13.559 -4.395 576 2HB LYS 74 HB2 LYS 74 10.703 -14.930 -3.516 577 1HG LYS 74 HG1 LYS 74 13.071 -15.131 -3.505 578 2HG LYS 74 HG2 LYS 74 12.435 -16.366 -4.594 579 1HD LYS 74 HD1 LYS 74 14.191 -15.504 -5.825 580 2HD LYS 74 HD2 LYS 74 12.825 -14.565 -6.432 581 1HE LYS 74 HE2 LYS 74 13.528 -12.955 -4.450 582 2HE LYS 74 HE1 LYS 74 15.093 -13.730 -4.703 583 1HZ LYS 74 HZ1 LYS 74 15.419 -12.398 -6.421 584 2HZ LYS 74 HZ2 LYS 74 13.901 -11.684 -6.204 585 3HZ LYS 74 HZ3 LYS 74 14.062 -13.039 -7.204 586 H LYS 75 HN LYS 75 8.234 -14.488 -4.327 587 HA LYS 75 HA LYS 75 7.444 -17.281 -4.024 588 1HB LYS 75 HB1 LYS 75 5.506 -16.189 -2.704 589 2HB LYS 75 HB2 LYS 75 7.116 -16.180 -2.003 590 1HG LYS 75 HG2 LYS 75 6.666 -13.820 -3.599 591 2HG LYS 75 HG1 LYS 75 5.428 -14.009 -2.359 592 1HD LYS 75 HD2 LYS 75 8.042 -14.592 -1.291 593 2HD LYS 75 HD1 LYS 75 8.006 -12.988 -2.028 594 1HE LYS 75 HE2 LYS 75 6.566 -12.165 -0.491 595 2HE LYS 75 HE1 LYS 75 5.696 -13.691 -0.335 596 1HZ LYS 75 HZ1 LYS 75 7.114 -12.855 1.623 597 2HZ LYS 75 HZ2 LYS 75 8.431 -13.428 0.729 598 3HZ LYS 75 HZ3 LYS 75 7.202 -14.490 1.200 599 H LEU 76 HN LEU 76 5.417 -14.425 -4.693 600 HA LEU 76 HA LEU 76 3.979 -16.017 -6.698 601 1HB LEU 76 HB1 LEU 76 2.447 -13.816 -6.437 602 2HB LEU 76 HB2 LEU 76 2.246 -15.267 -5.470 603 HG LEU 76 HG LEU 76 4.107 -13.194 -4.435 604 1HD1 LEU 76 HD2 LEU 76 2.019 -12.036 -5.338 605 2HD1 LEU 76 HD2 LEU 76 2.442 -11.750 -3.650 606 3HD1 LEU 76 HD2 LEU 76 1.149 -12.877 -4.057 607 1HD2 LEU 76 HD1 LEU 76 1.996 -14.891 -3.112 608 2HD2 LEU 76 HD1 LEU 76 3.241 -13.933 -2.310 609 3HD2 LEU 76 HD1 LEU 76 3.695 -15.337 -3.276 610 H GLY 77 HN GLY 77 3.754 -12.561 -6.649 611 1HA GLY 77 HA2 GLY 77 5.595 -12.285 -8.910 612 2HA GLY 77 HA1 GLY 77 3.907 -11.863 -9.168 613 H HIS 78 HN HIS 78 3.008 -10.093 -7.945 614 HA HIS 78 HA HIS 78 4.891 -8.399 -6.516 615 1HB HIS 78 HB1 HIS 78 3.729 -6.461 -8.015 616 2HB HIS 78 HB2 HIS 78 5.298 -7.175 -8.377 617 HD2 HIS 78 HD2 HIS 78 5.340 -7.450 -11.040 618 HE1 HIS 78 HE1 HIS 78 1.439 -9.028 -11.495 619 HE2 HIS 78 HE2 HIS 78 3.590 -8.418 -12.693 620 H GLU 79 HN GLU 79 3.870 -6.770 -5.224 621 HA GLU 79 HA GLU 79 1.123 -7.471 -4.538 622 1HB GLU 79 HB1 GLU 79 2.228 -5.548 -2.749 623 2HB GLU 79 HB2 GLU 79 1.841 -7.233 -2.433 624 1HG GLU 79 HG1 GLU 79 4.196 -7.539 -3.682 625 2HG GLU 79 HG2 GLU 79 4.439 -5.949 -2.958 626 H VAL 80 HN VAL 80 0.537 -6.321 -6.603 627 HA VAL 80 HA VAL 80 0.671 -3.413 -6.403 628 HB VAL 80 HB VAL 80 -0.610 -4.785 -8.720 629 1HG1 VAL 80 HG1 VAL 80 1.367 -2.661 -9.117 630 2HG1 VAL 80 HG1 VAL 80 -0.023 -2.190 -8.138 631 3HG1 VAL 80 HG1 VAL 80 -0.265 -2.831 -9.764 632 1HG2 VAL 80 HG2 VAL 80 2.366 -4.691 -8.234 633 2HG2 VAL 80 HG2 VAL 80 1.605 -5.095 -9.772 634 3HG2 VAL 80 HG2 VAL 80 1.366 -6.137 -8.369 635 H LEU 81 HN LEU 81 -0.953 -2.271 -5.630 636 HA LEU 81 HA LEU 81 -3.682 -3.272 -5.972 637 1HB LEU 81 HB2 LEU 81 -4.265 -3.031 -3.765 638 2HB LEU 81 HB1 LEU 81 -2.615 -3.603 -3.622 639 HG LEU 81 HG LEU 81 -2.272 -0.881 -3.656 640 1HD1 LEU 81 HD1 LEU 81 -3.944 0.241 -2.617 641 2HD1 LEU 81 HD1 LEU 81 -4.479 -1.171 -1.707 642 3HD1 LEU 81 HD1 LEU 81 -4.922 -0.996 -3.406 643 1HD2 LEU 81 HD2 LEU 81 -1.040 -2.004 -2.095 644 2HD2 LEU 81 HD2 LEU 81 -2.410 -2.966 -1.542 645 3HD2 LEU 81 HD2 LEU 81 -2.264 -1.278 -1.053 646 H GLU 82 HN GLU 82 -1.571 -0.516 -5.394 647 HA GLU 82 HA GLU 82 -3.375 1.143 -6.950 648 1HB GLU 82 HB2 GLU 82 -3.762 1.153 -4.253 649 2HB GLU 82 HB1 GLU 82 -2.612 2.470 -4.434 650 1HG GLU 82 HG2 GLU 82 -4.658 2.680 -6.429 651 2HG GLU 82 HG1 GLU 82 -5.382 2.533 -4.828 652 H ILE 83 HN ILE 83 -2.409 2.852 -7.940 653 HA ILE 83 HA ILE 83 0.317 3.606 -7.206 654 HB ILE 83 HB ILE 83 -0.388 2.859 -10.046 655 1HG1 ILE 83 HG1 ILE 83 1.740 1.291 -8.920 656 2HG1 ILE 83 HG1 ILE 83 0.313 1.156 -7.896 657 1HG2 ILE 83 HG2 ILE 83 2.389 3.270 -9.056 658 2HG2 ILE 83 HG2 ILE 83 1.385 4.680 -9.395 659 3HG2 ILE 83 HG2 ILE 83 1.717 3.507 -10.669 660 1HD1 ILE 83 HD1 ILE 83 0.120 0.788 -10.855 661 2HD1 ILE 83 HD1 ILE 83 -0.962 0.212 -9.586 662 3HD1 ILE 83 HD1 ILE 83 0.625 -0.529 -9.797 663 H GLU 84 HN GLU 84 0.577 5.778 -7.335 664 HA GLU 84 HA GLU 84 -0.879 7.335 -9.286 665 1HB GLU 84 HB1 GLU 84 -2.032 8.750 -7.673 666 2HB GLU 84 HB2 GLU 84 -2.550 7.079 -7.505 667 1HG GLU 84 HG2 GLU 84 -1.608 6.843 -5.451 668 2HG GLU 84 HG1 GLU 84 -0.329 8.011 -5.780 669 H GLU 85 HN GLU 85 -0.546 9.787 -8.669 670 HA GLU 85 HA GLU 85 2.198 10.178 -7.691 671 1HB GLU 85 HB1 GLU 85 2.471 11.878 -9.556 672 2HB GLU 85 HB2 GLU 85 2.474 10.191 -10.050 673 1HG GLU 85 HG1 GLU 85 -0.063 10.581 -10.451 674 2HG GLU 85 HG2 GLU 85 0.394 12.284 -10.478 675 H VAL 86 HN VAL 86 2.663 12.418 -7.081 676 HA VAL 86 HA VAL 86 0.222 13.850 -6.255 677 HB VAL 86 HB VAL 86 2.833 13.815 -4.746 678 1HG1 VAL 86 HG1 VAL 86 1.765 15.756 -4.102 679 2HG1 VAL 86 HG1 VAL 86 1.151 14.602 -2.919 680 3HG1 VAL 86 HG1 VAL 86 0.156 15.064 -4.300 681 1HG2 VAL 86 HG2 VAL 86 2.079 11.632 -4.494 682 2HG2 VAL 86 HG2 VAL 86 0.383 12.113 -4.506 683 3HG2 VAL 86 HG2 VAL 86 1.387 12.454 -3.095 684 H GLY 87 HN GLY 87 3.725 14.543 -6.389 685 1HA GLY 87 HA1 GLY 87 3.049 17.040 -7.819 686 2HA GLY 87 HA2 GLY 87 4.287 16.961 -6.575 687 HA PRO 88 HA PRO 88 6.640 16.823 -10.510 688 1HB PRO 88 HB1 PRO 88 8.820 17.259 -8.538 689 2HB PRO 88 HB2 PRO 88 8.491 18.098 -10.058 690 1HG PRO 88 HG2 PRO 88 7.966 19.260 -7.719 691 2HG PRO 88 HG1 PRO 88 6.879 19.467 -9.105 692 1HD PRO 88 HD1 PRO 88 6.565 17.735 -6.688 693 2HD PRO 88 HD2 PRO 88 5.342 18.669 -7.574 694 H SER 89 HN SER 89 8.790 15.801 -7.913 695 HA SER 89 HA SER 89 9.020 13.195 -9.226 696 1HB SER 89 HB2 SER 89 11.134 12.980 -7.914 697 2HB SER 89 HB1 SER 89 11.121 14.384 -8.983 698 HG SER 89 HG SER 89 11.841 14.668 -6.700 699 H GLU 90 HN GLU 90 7.389 14.536 -6.726 700 HA GLU 90 HA GLU 90 7.684 12.345 -4.844 701 1HB GLU 90 HB2 GLU 90 5.626 13.705 -3.814 702 2HB GLU 90 HB1 GLU 90 7.297 14.195 -3.575 703 1HG GLU 90 HG1 GLU 90 6.466 15.385 -5.977 704 2HG GLU 90 HG2 GLU 90 5.152 15.612 -4.823 705 H TRP 91 HN TRP 91 6.622 10.508 -5.073 706 HA TRP 91 HA TRP 91 3.918 10.569 -6.228 707 1HB TRP 91 HB2 TRP 91 5.923 8.376 -6.777 708 2HB TRP 91 HB1 TRP 91 4.345 8.599 -7.526 709 HD1 TRP 91 HD1 TRP 91 4.269 11.272 -8.790 710 HE1 TRP 91 HE1 TRP 91 5.991 12.111 -10.508 711 HE3 TRP 91 HE3 TRP 91 8.141 8.133 -7.657 712 HZ2 TRP 91 HZ2 TRP 91 8.641 11.520 -11.283 713 HZ3 TRP 91 HZ3 TRP 91 10.235 8.335 -8.934 714 HH2 TRP 91 HH2 TRP 91 10.478 9.993 -10.709 715 H LYS 92 HN LYS 92 2.658 8.581 -5.731 716 HA LYS 92 HA LYS 92 3.413 7.446 -3.118 717 1HB LYS 92 HB1 LYS 92 1.072 8.981 -3.848 718 2HB LYS 92 HB2 LYS 92 0.612 7.377 -3.293 719 1HG LYS 92 HG1 LYS 92 2.569 8.354 -1.505 720 2HG LYS 92 HG2 LYS 92 1.389 9.642 -1.763 721 1HD LYS 92 HD2 LYS 92 0.534 6.826 -1.171 722 2HD LYS 92 HD1 LYS 92 0.940 7.958 0.121 723 1HE LYS 92 HE1 LYS 92 -1.031 8.676 -2.022 724 2HE LYS 92 HE2 LYS 92 -1.521 7.756 -0.599 725 1HZ LYS 92 HZ1 LYS 92 -1.566 10.393 -0.687 726 2HZ LYS 92 HZ2 LYS 92 0.013 10.185 -0.119 727 3HZ LYS 92 HZ3 LYS 92 -1.289 9.537 0.746 728 H ILE 93 HN ILE 93 3.403 5.287 -3.014 729 HA ILE 93 HA ILE 93 1.980 3.803 -5.126 730 HB ILE 93 HB ILE 93 4.461 2.654 -3.939 731 1HG1 ILE 93 HG1 ILE 93 5.405 3.801 -6.239 732 2HG1 ILE 93 HG1 ILE 93 4.344 5.067 -5.625 733 1HG2 ILE 93 HG2 ILE 93 4.514 1.357 -5.858 734 2HG2 ILE 93 HG2 ILE 93 3.577 2.521 -6.794 735 3HG2 ILE 93 HG2 ILE 93 2.785 1.538 -5.562 736 1HD1 ILE 93 HD1 ILE 93 6.383 3.768 -3.865 737 2HD1 ILE 93 HD1 ILE 93 5.586 5.331 -3.680 738 3HD1 ILE 93 HD1 ILE 93 6.803 5.104 -4.936 739 H TYR 94 HN TYR 94 0.971 1.914 -4.538 740 HA TYR 94 HA TYR 94 0.955 1.308 -1.656 741 1HB TYR 94 HB1 TYR 94 -1.295 1.472 -3.629 742 2HB TYR 94 HB2 TYR 94 -1.425 0.386 -2.252 743 HD1 TYR 94 HD1 TYR 94 -2.465 1.204 -0.370 744 HD2 TYR 94 HD2 TYR 94 -0.468 3.935 -2.948 745 HE1 TYR 94 HE1 TYR 94 -3.215 3.071 1.040 746 HE2 TYR 94 HE2 TYR 94 -1.212 5.813 -1.545 747 HH TYR 94 HH TYR 94 -3.376 6.086 0.169 748 H ILE 95 HN ILE 95 1.488 -0.675 -1.094 749 HA ILE 95 HA ILE 95 1.499 -2.803 -3.135 750 HB ILE 95 HB ILE 95 3.700 -1.701 -1.791 751 1HG1 ILE 95 HG1 ILE 95 4.900 -3.699 -2.834 752 2HG1 ILE 95 HG1 ILE 95 3.313 -4.233 -3.380 753 1HG2 ILE 95 HG2 ILE 95 4.582 -3.321 -0.342 754 2HG2 ILE 95 HG2 ILE 95 3.370 -4.515 -0.802 755 3HG2 ILE 95 HG2 ILE 95 2.905 -3.116 0.163 756 1HD1 ILE 95 HD1 ILE 95 3.614 -1.512 -4.102 757 2HD1 ILE 95 HD1 ILE 95 3.483 -2.926 -5.146 758 3HD1 ILE 95 HD1 ILE 95 5.067 -2.383 -4.594 759 H LYS 96 HN LYS 96 1.000 -4.949 -2.383 760 HA LYS 96 HA LYS 96 0.124 -5.207 0.380 761 1HB LYS 96 HB2 LYS 96 -1.928 -4.416 -0.272 762 2HB LYS 96 HB1 LYS 96 -1.762 -5.013 -1.917 763 1HG LYS 96 HG1 LYS 96 -1.882 -7.215 -0.081 764 2HG LYS 96 HG2 LYS 96 -3.249 -6.128 0.171 765 1HD LYS 96 HD1 LYS 96 -2.734 -6.551 -2.642 766 2HD LYS 96 HD2 LYS 96 -3.006 -8.078 -1.798 767 1HE LYS 96 HE1 LYS 96 -5.125 -7.363 -1.006 768 2HE LYS 96 HE2 LYS 96 -4.827 -5.701 -1.513 769 1HZ LYS 96 HZ1 LYS 96 -5.004 -7.975 -3.409 770 2HZ LYS 96 HZ2 LYS 96 -4.990 -6.325 -3.779 771 3HZ LYS 96 HZ3 LYS 96 -6.326 -7.004 -2.996 772 H VAL 97 HN VAL 97 1.116 -7.002 0.973 773 HA VAL 97 HA VAL 97 1.845 -9.123 -0.741 774 HB VAL 97 HB VAL 97 1.427 -9.395 2.233 775 1HG1 VAL 97 HG2 VAL 97 3.590 -10.645 0.578 776 2HG1 VAL 97 HG2 VAL 97 1.987 -11.374 0.691 777 3HG1 VAL 97 HG2 VAL 97 2.958 -11.148 2.147 778 1HG2 VAL 97 HG1 VAL 97 2.920 -7.391 1.174 779 2HG2 VAL 97 HG1 VAL 97 4.116 -8.680 1.306 780 3HG2 VAL 97 HG1 VAL 97 3.226 -8.153 2.735 781 H LYS 98 HN LYS 98 0.561 -10.581 -1.662 782 HA LYS 98 HA LYS 98 -2.138 -10.977 -0.651 783 1HB LYS 98 HB1 LYS 98 -0.804 -12.092 -3.126 784 2HB LYS 98 HB2 LYS 98 -2.514 -12.217 -2.734 785 1HG LYS 98 HG1 LYS 98 -2.164 -9.538 -2.608 786 2HG LYS 98 HG2 LYS 98 -0.989 -9.973 -3.852 787 1HD LYS 98 HD1 LYS 98 -3.534 -11.335 -4.197 788 2HD LYS 98 HD2 LYS 98 -3.697 -9.578 -4.228 789 1HE LYS 98 HE1 LYS 98 -2.414 -9.351 -6.112 790 2HE LYS 98 HE2 LYS 98 -1.498 -10.824 -5.796 791 1HZ LYS 98 HZ1 LYS 98 -3.514 -10.575 -7.590 792 2HZ LYS 98 HZ2 LYS 98 -4.285 -11.309 -6.274 793 3HZ LYS 98 HZ3 LYS 98 -2.926 -12.037 -6.972 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -28.038 -5.545 -12.032 2 2H GLY 1 HT2 GLY 1 -26.723 -6.594 -11.852 3 3H GLY 1 HT3 GLY 1 -26.658 -5.036 -11.197 4 1HA GLY 1 HA2 GLY 1 -27.891 -7.438 -10.155 5 2HA GLY 1 HA1 GLY 1 -27.225 -6.057 -9.296 6 H SER 2 HN SER 2 -30.051 -7.567 -10.491 7 HA SER 2 HA SER 2 -31.685 -5.232 -9.763 8 1HB SER 2 HB1 SER 2 -32.693 -7.667 -11.228 9 2HB SER 2 HB2 SER 2 -33.394 -6.049 -11.176 10 HG SER 2 HG SER 2 -32.325 -5.748 -12.954 11 H SER 3 HN SER 3 -30.552 -8.038 -8.475 12 HA SER 3 HA SER 3 -32.958 -8.874 -7.105 13 1HB SER 3 HB2 SER 3 -30.658 -10.181 -7.813 14 2HB SER 3 HB1 SER 3 -30.380 -9.879 -6.098 15 HG SER 3 HG SER 3 -31.600 -11.567 -5.836 16 H HIS 4 HN HIS 4 -29.792 -7.583 -6.085 17 HA HIS 4 HA HIS 4 -31.057 -6.668 -3.592 18 1HB HIS 4 HB2 HIS 4 -28.106 -6.977 -4.184 19 2HB HIS 4 HB1 HIS 4 -28.834 -6.620 -2.622 20 HD2 HIS 4 HD2 HIS 4 -26.994 -9.350 -3.339 21 HE1 HIS 4 HE1 HIS 4 -30.689 -11.257 -2.545 22 HE2 HIS 4 HE2 HIS 4 -28.183 -11.583 -2.760 23 H HIS 5 HN HIS 5 -31.515 -4.583 -3.442 24 HA HIS 5 HA HIS 5 -29.821 -2.653 -4.881 25 1HB HIS 5 HB1 HIS 5 -32.358 -3.201 -5.646 26 2HB HIS 5 HB2 HIS 5 -32.662 -1.927 -4.468 27 HD2 HIS 5 HD2 HIS 5 -31.306 0.550 -5.073 28 HE1 HIS 5 HE1 HIS 5 -31.028 -0.431 -9.182 29 HE2 HIS 5 HE2 HIS 5 -30.830 1.429 -7.468 30 H HIS 6 HN HIS 6 -29.208 -0.869 -3.771 31 HA HIS 6 HA HIS 6 -29.402 -0.873 -0.954 32 1HB HIS 6 HB2 HIS 6 -28.432 1.504 -1.230 33 2HB HIS 6 HB1 HIS 6 -27.469 0.145 -1.802 34 HD2 HIS 6 HD2 HIS 6 -26.839 0.164 -4.444 35 HE1 HIS 6 HE1 HIS 6 -29.141 3.573 -5.445 36 HE2 HIS 6 HE2 HIS 6 -27.426 1.901 -6.281 37 H HIS 7 HN HIS 7 -30.897 -0.084 0.366 38 HA HIS 7 HA HIS 7 -32.815 1.886 -0.693 39 1HB HIS 7 HB1 HIS 7 -33.658 -0.530 -0.331 40 2HB HIS 7 HB2 HIS 7 -33.547 -0.164 1.388 41 HD2 HIS 7 HD2 HIS 7 -35.766 0.617 -1.680 42 HE1 HIS 7 HE1 HIS 7 -37.456 2.471 1.730 43 HE2 HIS 7 HE2 HIS 7 -37.811 1.889 -0.713 44 H HIS 8 HN HIS 8 -30.381 1.407 1.447 45 HA HIS 8 HA HIS 8 -31.534 2.918 3.651 46 1HB HIS 8 HB2 HIS 8 -28.639 2.165 3.510 47 2HB HIS 8 HB1 HIS 8 -29.693 2.280 4.915 48 HD2 HIS 8 HD2 HIS 8 -28.582 -0.271 2.233 49 HE1 HIS 8 HE1 HIS 8 -31.234 -2.192 4.916 50 HE2 HIS 8 HE2 HIS 8 -29.620 -2.527 2.988 51 H HIS 9 HN HIS 9 -31.009 4.054 0.913 52 HA HIS 9 HA HIS 9 -28.851 5.894 1.148 53 1HB HIS 9 HB2 HIS 9 -29.943 5.090 -1.005 54 2HB HIS 9 HB1 HIS 9 -31.264 6.196 -0.643 55 HD2 HIS 9 HD2 HIS 9 -30.898 8.180 -2.411 56 HE1 HIS 9 HE1 HIS 9 -26.772 8.786 -1.681 57 HE2 HIS 9 HE2 HIS 9 -28.809 9.627 -2.937 58 H SER 10 HN SER 10 -32.300 6.714 0.825 59 HA SER 10 HA SER 10 -31.867 9.146 2.341 60 1HB SER 10 HB1 SER 10 -34.445 8.107 1.142 61 2HB SER 10 HB2 SER 10 -34.108 9.756 1.670 62 HG SER 10 HG SER 10 -33.288 8.414 -0.628 63 H SER 11 HN SER 11 -32.475 6.022 3.162 64 HA SER 11 HA SER 11 -34.495 6.393 5.154 65 1HB SER 11 HB1 SER 11 -32.814 4.171 4.180 66 2HB SER 11 HB2 SER 11 -33.267 4.073 5.882 67 HG SER 11 HG SER 11 -34.732 3.365 3.878 68 H GLY 12 HN GLY 12 -31.813 4.650 6.367 69 1HA GLY 12 HA2 GLY 12 -31.501 6.617 8.496 70 2HA GLY 12 HA1 GLY 12 -30.867 4.979 8.490 71 H LEU 13 HN LEU 13 -29.216 6.869 9.380 72 HA LEU 13 HA LEU 13 -27.505 7.708 7.164 73 1HB LEU 13 HB1 LEU 13 -28.202 8.966 9.488 74 2HB LEU 13 HB2 LEU 13 -26.643 8.290 9.915 75 HG LEU 13 HG LEU 13 -26.422 10.585 9.113 76 1HD1 LEU 13 HD2 LEU 13 -24.435 10.009 8.322 77 2HD1 LEU 13 HD2 LEU 13 -25.163 9.460 6.812 78 3HD1 LEU 13 HD2 LEU 13 -24.997 8.345 8.168 79 1HD2 LEU 13 HD1 LEU 13 -27.276 9.708 6.384 80 2HD2 LEU 13 HD1 LEU 13 -27.124 11.339 7.038 81 3HD2 LEU 13 HD1 LEU 13 -28.457 10.304 7.551 82 H VAL 14 HN VAL 14 -26.943 5.452 6.693 83 HA VAL 14 HA VAL 14 -25.280 4.067 8.624 84 HB VAL 14 HB VAL 14 -25.615 3.211 5.767 85 1HG1 VAL 14 HG1 VAL 14 -24.118 1.807 6.842 86 2HG1 VAL 14 HG1 VAL 14 -25.648 0.954 7.043 87 3HG1 VAL 14 HG1 VAL 14 -24.980 1.894 8.377 88 1HG2 VAL 14 HG2 VAL 14 -27.837 3.840 6.926 89 2HG2 VAL 14 HG2 VAL 14 -27.561 2.388 7.889 90 3HG2 VAL 14 HG2 VAL 14 -27.706 2.268 6.136 91 HA PRO 15 HA PRO 15 -21.674 6.260 7.056 92 1HB PRO 15 HB2 PRO 15 -19.873 4.992 8.671 93 2HB PRO 15 HB1 PRO 15 -20.870 6.352 9.196 94 1HG PRO 15 HG1 PRO 15 -21.282 3.419 9.632 95 2HG PRO 15 HG2 PRO 15 -21.497 4.761 10.771 96 1HD PRO 15 HD2 PRO 15 -23.583 3.603 9.517 97 2HD PRO 15 HD1 PRO 15 -23.559 5.338 9.896 98 H ARG 16 HN ARG 16 -20.781 5.734 5.178 99 HA ARG 16 HA ARG 16 -20.427 2.966 4.418 100 1HB ARG 16 HB1 ARG 16 -20.701 5.495 3.067 101 2HB ARG 16 HB2 ARG 16 -19.290 4.640 2.461 102 1HG ARG 16 HG1 ARG 16 -20.561 3.277 1.269 103 2HG ARG 16 HG2 ARG 16 -21.498 2.828 2.695 104 1HD ARG 16 HD2 ARG 16 -23.006 3.749 1.089 105 2HD ARG 16 HD1 ARG 16 -22.822 4.919 2.395 106 HE ARG 16 HE ARG 16 -20.985 5.747 0.615 107 1HH1 ARG 16 HH1 ARG 16 -24.359 4.930 0.298 108 2HH1 ARG 16 HH1 ARG 16 -24.635 6.034 -1.008 109 1HH2 ARG 16 HH2 ARG 16 -21.341 7.201 -1.103 110 2HH2 ARG 16 HH2 ARG 16 -22.920 7.324 -1.804 111 H GLY 17 HN GLY 17 -18.735 4.098 6.579 112 1HA GLY 17 HA2 GLY 17 -16.101 4.472 5.535 113 2HA GLY 17 HA1 GLY 17 -16.524 4.193 7.218 114 H SER 18 HN SER 18 -17.023 1.942 7.835 115 HA SER 18 HA SER 18 -15.044 0.166 6.720 116 1HB SER 18 HB2 SER 18 -15.982 0.502 9.233 117 2HB SER 18 HB1 SER 18 -16.967 -0.870 8.723 118 HG SER 18 HG SER 18 -14.247 -0.980 8.152 119 H HIS 19 HN HIS 19 -17.404 0.897 5.063 120 HA HIS 19 HA HIS 19 -19.082 -1.415 4.915 121 1HB HIS 19 HB2 HIS 19 -19.146 1.196 3.897 122 2HB HIS 19 HB1 HIS 19 -19.033 0.157 2.479 123 HD2 HIS 19 HD2 HIS 19 -21.135 -1.839 2.360 124 HE1 HIS 19 HE1 HIS 19 -23.707 0.541 4.734 125 HE2 HIS 19 HE2 HIS 19 -23.568 -1.456 3.177 126 H MET 20 HN MET 20 -19.044 -1.491 1.936 127 HA MET 20 HA MET 20 -17.401 -3.717 1.579 128 1HB MET 20 HB2 MET 20 -19.240 -2.207 0.019 129 2HB MET 20 HB1 MET 20 -17.779 -2.415 -0.936 130 1HG MET 20 HG1 MET 20 -18.678 -4.364 -1.528 131 2HG MET 20 HG2 MET 20 -18.143 -4.921 0.057 132 1HE MET 20 HE1 MET 20 -20.048 -6.209 -1.664 133 2HE MET 20 HE2 MET 20 -21.515 -5.298 -2.024 134 3HE MET 20 HE3 MET 20 -21.539 -6.554 -0.785 135 H ALA 21 HN ALA 21 -16.683 -0.342 1.393 136 HA ALA 21 HA ALA 21 -14.412 -0.404 -0.260 137 1HB ALA 21 HB1 ALA 21 -14.019 1.774 0.409 138 2HB ALA 21 HB2 ALA 21 -14.630 1.493 2.039 139 3HB ALA 21 HB3 ALA 21 -15.753 1.604 0.683 140 H LYS 22 HN LYS 22 -12.742 -1.725 0.072 141 HA LYS 22 HA LYS 22 -11.878 -2.355 2.780 142 1HB LYS 22 HB2 LYS 22 -11.291 -3.466 0.059 143 2HB LYS 22 HB1 LYS 22 -10.188 -3.798 1.388 144 1HG LYS 22 HG1 LYS 22 -11.687 -5.121 2.489 145 2HG LYS 22 HG2 LYS 22 -13.088 -4.288 1.812 146 1HD LYS 22 HD2 LYS 22 -11.713 -5.441 -0.358 147 2HD LYS 22 HD1 LYS 22 -11.790 -6.674 0.902 148 1HE LYS 22 HE1 LYS 22 -14.252 -5.119 0.318 149 2HE LYS 22 HE2 LYS 22 -13.746 -6.335 -0.854 150 1HZ LYS 22 HZ1 LYS 22 -14.512 -7.931 0.456 151 2HZ LYS 22 HZ2 LYS 22 -15.149 -6.752 1.488 152 3HZ LYS 22 HZ3 LYS 22 -13.604 -7.380 1.773 153 H TYR 23 HN TYR 23 -11.466 0.291 2.216 154 HA TYR 23 HA TYR 23 -8.707 0.648 1.382 155 1HB TYR 23 HB2 TYR 23 -11.057 2.342 1.690 156 2HB TYR 23 HB1 TYR 23 -9.616 3.081 2.380 157 HD1 TYR 23 HD1 TYR 23 -11.342 2.166 -0.666 158 HD2 TYR 23 HD2 TYR 23 -7.628 3.485 0.935 159 HE1 TYR 23 HE1 TYR 23 -10.627 2.862 -2.914 160 HE2 TYR 23 HE2 TYR 23 -6.902 4.184 -1.307 161 HH TYR 23 HH TYR 23 -7.722 4.705 -3.430 162 H GLN 24 HN GLN 24 -8.907 -0.961 3.635 163 HA GLN 24 HA GLN 24 -8.112 0.790 5.854 164 1HB GLN 24 HB2 GLN 24 -9.642 -1.634 5.697 165 2HB GLN 24 HB1 GLN 24 -8.236 -1.899 6.719 166 1HG GLN 24 HG2 GLN 24 -9.249 -0.873 8.389 167 2HG GLN 24 HG1 GLN 24 -9.358 0.602 7.428 168 1HE2 GLN 24 HE2 GLN 24 -10.941 -2.575 7.581 169 2HE2 GLN 24 HE2 GLN 24 -12.552 -1.967 7.449 170 H VAL 25 HN VAL 25 -6.027 1.186 4.897 171 HA VAL 25 HA VAL 25 -4.159 -0.851 4.329 172 HB VAL 25 HB VAL 25 -3.715 2.016 5.089 173 1HG1 VAL 25 HG2 VAL 25 -1.810 -0.135 4.303 174 2HG1 VAL 25 HG2 VAL 25 -1.635 1.134 5.516 175 3HG1 VAL 25 HG2 VAL 25 -1.497 1.527 3.802 176 1HG2 VAL 25 HG1 VAL 25 -4.728 0.839 2.746 177 2HG2 VAL 25 HG1 VAL 25 -3.090 1.376 2.376 178 3HG2 VAL 25 HG1 VAL 25 -4.274 2.523 3.002 179 H THR 26 HN THR 26 -2.324 -1.532 5.560 180 HA THR 26 HA THR 26 -2.872 -1.580 8.434 181 HB THR 26 HB THR 26 -0.720 -3.229 7.175 182 HG1 THR 26 HG1 THR 26 -3.458 -3.447 6.679 183 1HG2 THR 26 HG2 THR 26 -2.637 -4.535 8.910 184 2HG2 THR 26 HG2 THR 26 -1.825 -3.174 9.684 185 3HG2 THR 26 HG2 THR 26 -0.876 -4.488 8.990 186 H LYS 27 HN LYS 27 0.105 -1.534 6.445 187 HA LYS 27 HA LYS 27 1.299 0.214 8.487 188 1HB LYS 27 HB2 LYS 27 2.269 -2.109 7.307 189 2HB LYS 27 HB1 LYS 27 3.145 -0.821 6.491 190 1HG LYS 27 HG2 LYS 27 3.017 -0.457 9.375 191 2HG LYS 27 HG1 LYS 27 3.812 -1.958 8.893 192 1HD LYS 27 HD2 LYS 27 4.593 0.412 7.342 193 2HD LYS 27 HD1 LYS 27 5.044 0.457 9.048 194 1HE LYS 27 HE1 LYS 27 6.850 -0.521 7.816 195 2HE LYS 27 HE2 LYS 27 6.080 -1.785 8.773 196 1HZ LYS 27 HZ1 LYS 27 4.917 -2.543 6.819 197 2HZ LYS 27 HZ2 LYS 27 6.578 -2.500 6.501 198 3HZ LYS 27 HZ3 LYS 27 5.568 -1.288 5.890 199 H THR 28 HN THR 28 2.427 2.078 7.894 200 HA THR 28 HA THR 28 2.093 2.981 5.118 201 HB THR 28 HB THR 28 1.449 4.603 7.591 202 HG1 THR 28 HG1 THR 28 -0.629 4.609 6.200 203 1HG2 THR 28 HG2 THR 28 0.466 6.156 5.775 204 2HG2 THR 28 HG2 THR 28 1.638 5.367 4.719 205 3HG2 THR 28 HG2 THR 28 2.187 6.233 6.154 206 H LEU 29 HN LEU 29 4.103 3.239 4.380 207 HA LEU 29 HA LEU 29 6.168 4.249 6.199 208 1HB LEU 29 HB1 LEU 29 6.417 2.120 4.748 209 2HB LEU 29 HB2 LEU 29 6.661 3.235 3.417 210 HG LEU 29 HG LEU 29 8.330 3.536 5.876 211 1HD1 LEU 29 HD1 LEU 29 8.684 1.438 3.750 212 2HD1 LEU 29 HD1 LEU 29 8.584 1.210 5.496 213 3HD1 LEU 29 HD1 LEU 29 9.995 1.997 4.788 214 1HD2 LEU 29 HD2 LEU 29 8.641 5.249 4.306 215 2HD2 LEU 29 HD2 LEU 29 8.630 4.122 2.948 216 3HD2 LEU 29 HD2 LEU 29 9.999 4.149 4.061 217 H ASP 30 HN ASP 30 6.036 6.422 6.229 218 HA ASP 30 HA ASP 30 6.166 7.818 3.637 219 1HB ASP 30 HB2 ASP 30 5.163 9.782 4.919 220 2HB ASP 30 HB1 ASP 30 4.084 8.427 4.599 221 H VAL 31 HN VAL 31 8.321 8.134 3.415 222 HA VAL 31 HA VAL 31 9.631 9.727 5.509 223 HB VAL 31 HB VAL 31 10.436 7.460 5.786 224 1HG1 VAL 31 HG1 VAL 31 10.077 7.078 3.168 225 2HG1 VAL 31 HG1 VAL 31 11.151 6.077 4.145 226 3HG1 VAL 31 HG1 VAL 31 11.813 7.390 3.172 227 1HG2 VAL 31 HG2 VAL 31 11.938 9.629 5.783 228 2HG2 VAL 31 HG2 VAL 31 12.745 8.775 4.467 229 3HG2 VAL 31 HG2 VAL 31 12.622 8.026 6.060 230 H ARG 32 HN ARG 32 8.835 11.367 3.908 231 HA ARG 32 HA ARG 32 9.887 11.630 1.333 232 1HB ARG 32 HB1 ARG 32 8.187 13.100 2.962 233 2HB ARG 32 HB2 ARG 32 9.549 14.179 2.693 234 1HG ARG 32 HG1 ARG 32 9.155 13.352 0.181 235 2HG ARG 32 HG2 ARG 32 7.512 13.187 0.805 236 1HD ARG 32 HD2 ARG 32 7.729 15.377 -0.122 237 2HD ARG 32 HD1 ARG 32 7.668 15.533 1.633 238 HE ARG 32 HE ARG 32 10.346 15.384 0.663 239 1HH1 ARG 32 HH2 ARG 32 7.633 17.530 1.087 240 2HH1 ARG 32 HH2 ARG 32 8.610 18.958 1.161 241 1HH2 ARG 32 HH1 ARG 32 11.639 17.258 0.759 242 2HH2 ARG 32 HH1 ARG 32 10.887 18.804 0.974 243 H GLY 33 HN GLY 33 10.788 14.062 3.673 244 1HA GLY 33 HA2 GLY 33 13.469 14.161 2.615 245 2HA GLY 33 HA1 GLY 33 12.805 15.189 3.877 246 H GLU 34 HN GLU 34 14.639 12.369 3.162 247 HA GLU 34 HA GLU 34 14.821 11.703 6.019 248 1HB GLU 34 HB2 GLU 34 15.459 9.515 5.415 249 2HB GLU 34 HB1 GLU 34 14.163 9.932 4.303 250 1HG GLU 34 HG1 GLU 34 17.029 10.329 3.543 251 2HG GLU 34 HG2 GLU 34 16.253 8.754 3.388 252 H VAL 35 HN VAL 35 17.093 10.634 6.475 253 HA VAL 35 HA VAL 35 19.207 12.302 5.327 254 HB VAL 35 HB VAL 35 19.875 11.851 8.025 255 1HG1 VAL 35 HG2 VAL 35 19.143 14.393 6.584 256 2HG1 VAL 35 HG2 VAL 35 20.732 13.627 6.571 257 3HG1 VAL 35 HG2 VAL 35 20.076 14.270 8.076 258 1HG2 VAL 35 HG1 VAL 35 17.073 12.701 7.560 259 2HG2 VAL 35 HG1 VAL 35 17.980 13.504 8.842 260 3HG2 VAL 35 HG1 VAL 35 17.760 11.754 8.880 261 H CYS 36 HN CYS 36 19.574 10.207 8.064 262 HA CYS 36 HA CYS 36 21.705 8.755 6.972 263 1HB CYS 36 HB1 CYS 36 20.258 8.832 9.441 264 2HB CYS 36 HB2 CYS 36 20.429 7.152 8.944 265 HG CYS 36 HG CYS 36 23.037 8.761 8.954 266 HA PRO 37 HA PRO 37 19.771 5.655 4.498 267 1HB PRO 37 HB1 PRO 37 21.660 3.621 5.406 268 2HB PRO 37 HB2 PRO 37 21.535 4.402 3.829 269 1HG PRO 37 HG2 PRO 37 23.591 4.870 5.522 270 2HG PRO 37 HG1 PRO 37 22.969 6.103 4.409 271 1HD PRO 37 HD2 PRO 37 22.450 5.762 7.342 272 2HD PRO 37 HD1 PRO 37 22.763 7.248 6.418 273 H VAL 38 HN VAL 38 19.016 5.828 7.476 274 HA VAL 38 HA VAL 38 18.554 3.251 8.470 275 HB VAL 38 HB VAL 38 16.841 5.679 8.995 276 1HG1 VAL 38 HG2 VAL 38 15.682 4.018 10.033 277 2HG1 VAL 38 HG2 VAL 38 16.851 4.369 11.306 278 3HG1 VAL 38 HG2 VAL 38 17.106 2.995 10.230 279 1HG2 VAL 38 HG1 VAL 38 18.525 6.620 10.094 280 2HG2 VAL 38 HG1 VAL 38 19.590 5.349 9.492 281 3HG2 VAL 38 HG1 VAL 38 18.772 5.153 11.042 282 HA PRO 39 HA PRO 39 14.056 3.679 6.509 283 1HB PRO 39 HB2 PRO 39 14.129 5.090 4.127 284 2HB PRO 39 HB1 PRO 39 13.529 5.723 5.662 285 1HG PRO 39 HG1 PRO 39 16.200 6.086 4.374 286 2HG PRO 39 HG2 PRO 39 15.211 7.262 5.259 287 1HD PRO 39 HD1 PRO 39 17.331 6.093 6.399 288 2HD PRO 39 HD2 PRO 39 15.856 6.432 7.329 289 H ASP 40 HN ASP 40 17.047 3.618 4.676 290 HA ASP 40 HA ASP 40 16.190 2.007 2.534 291 1HB ASP 40 HB1 ASP 40 18.875 2.535 3.785 292 2HB ASP 40 HB2 ASP 40 18.703 1.371 2.475 293 H VAL 41 HN VAL 41 17.996 1.086 5.469 294 HA VAL 41 HA VAL 41 17.685 -1.710 5.013 295 HB VAL 41 HB VAL 41 18.289 -0.484 7.692 296 1HG1 VAL 41 HG2 VAL 41 18.685 -3.118 6.379 297 2HG1 VAL 41 HG2 VAL 41 18.222 -2.737 8.037 298 3HG1 VAL 41 HG2 VAL 41 19.904 -2.575 7.532 299 1HG2 VAL 41 HG1 VAL 41 20.099 0.514 6.881 300 2HG2 VAL 41 HG1 VAL 41 19.755 -0.098 5.263 301 3HG2 VAL 41 HG1 VAL 41 20.710 -1.065 6.387 302 H GLU 42 HN GLU 42 15.645 0.695 6.271 303 HA GLU 42 HA GLU 42 14.166 -0.813 8.153 304 1HB GLU 42 HB1 GLU 42 14.109 1.648 8.054 305 2HB GLU 42 HB2 GLU 42 13.297 1.565 6.497 306 1HG GLU 42 HG2 GLU 42 11.301 0.985 7.408 307 2HG GLU 42 HG1 GLU 42 12.040 0.144 8.770 308 H THR 43 HN THR 43 13.257 0.180 4.848 309 HA THR 43 HA THR 43 11.002 -1.473 4.669 310 HB THR 43 HB THR 43 11.201 0.329 3.129 311 HG1 THR 43 HG1 THR 43 10.518 -0.736 1.436 312 1HG2 THR 43 HG2 THR 43 13.071 -0.166 1.245 313 2HG2 THR 43 HG2 THR 43 13.913 -0.679 2.707 314 3HG2 THR 43 HG2 THR 43 13.271 0.959 2.588 315 H LYS 44 HN LYS 44 14.389 -2.073 3.961 316 HA LYS 44 HA LYS 44 14.179 -4.424 2.489 317 1HB LYS 44 HB2 LYS 44 16.312 -3.378 2.685 318 2HB LYS 44 HB1 LYS 44 16.277 -3.476 4.439 319 1HG LYS 44 HG2 LYS 44 17.800 -5.119 3.670 320 2HG LYS 44 HG1 LYS 44 16.352 -5.969 4.215 321 1HD LYS 44 HD2 LYS 44 16.171 -6.930 2.221 322 2HD LYS 44 HD1 LYS 44 16.004 -5.341 1.472 323 1HE LYS 44 HE2 LYS 44 17.869 -6.775 0.576 324 2HE LYS 44 HE1 LYS 44 18.338 -5.163 1.114 325 1HZ LYS 44 HZ1 LYS 44 19.554 -5.983 2.805 326 2HZ LYS 44 HZ2 LYS 44 19.620 -7.367 1.835 327 3HZ LYS 44 HZ3 LYS 44 18.504 -7.275 3.104 328 H ARG 45 HN ARG 45 14.283 -3.974 6.008 329 HA ARG 45 HA ARG 45 14.223 -6.711 6.676 330 1HB ARG 45 HB1 ARG 45 14.798 -4.727 8.168 331 2HB ARG 45 HB2 ARG 45 13.066 -4.519 8.376 332 1HG ARG 45 HG2 ARG 45 14.209 -7.209 8.881 333 2HG ARG 45 HG1 ARG 45 14.529 -5.936 10.061 334 1HD ARG 45 HD2 ARG 45 11.746 -6.420 9.078 335 2HD ARG 45 HD1 ARG 45 12.433 -7.445 10.337 336 HE ARG 45 HE ARG 45 12.615 -5.507 11.737 337 1HH1 ARG 45 HH1 ARG 45 10.805 -5.047 8.795 338 2HH1 ARG 45 HH1 ARG 45 9.967 -3.648 9.378 339 1HH2 ARG 45 HH2 ARG 45 11.517 -3.665 12.512 340 2HH2 ARG 45 HH2 ARG 45 10.372 -2.862 11.490 341 H ALA 46 HN ALA 46 11.724 -4.383 5.922 342 HA ALA 46 HA ALA 46 9.501 -5.847 6.850 343 1HB ALA 46 HB1 ALA 46 9.870 -3.362 5.787 344 2HB ALA 46 HB2 ALA 46 8.304 -4.111 6.100 345 3HB ALA 46 HB3 ALA 46 9.015 -4.193 4.488 346 H LEU 47 HN LEU 47 11.256 -5.873 3.796 347 HA LEU 47 HA LEU 47 9.420 -7.462 2.345 348 1HB LEU 47 HB2 LEU 47 12.364 -7.581 1.837 349 2HB LEU 47 HB1 LEU 47 11.045 -7.588 0.684 350 HG LEU 47 HG LEU 47 12.068 -5.226 2.244 351 1HD1 LEU 47 HD1 LEU 47 13.364 -6.142 0.236 352 2HD1 LEU 47 HD1 LEU 47 12.961 -4.425 0.245 353 3HD1 LEU 47 HD1 LEU 47 12.016 -5.548 -0.733 354 1HD2 LEU 47 HD2 LEU 47 9.536 -5.365 1.783 355 2HD2 LEU 47 HD2 LEU 47 9.983 -5.092 0.099 356 3HD2 LEU 47 HD2 LEU 47 10.396 -3.895 1.327 357 H GLN 48 HN GLN 48 12.259 -8.255 4.301 358 HA GLN 48 HA GLN 48 12.121 -11.060 3.806 359 1HB GLN 48 HB2 GLN 48 14.228 -10.669 4.517 360 2HB GLN 48 HB1 GLN 48 13.762 -9.219 5.392 361 1HG GLN 48 HG2 GLN 48 13.156 -10.454 7.310 362 2HG GLN 48 HG1 GLN 48 13.245 -11.984 6.438 363 1HE2 GLN 48 HE2 GLN 48 15.408 -12.540 5.555 364 2HE2 GLN 48 HE2 GLN 48 16.790 -12.157 6.519 365 H ASN 49 HN ASN 49 10.625 -8.877 6.039 366 HA ASN 49 HA ASN 49 9.389 -11.158 7.436 367 1HB ASN 49 HB2 ASN 49 10.861 -9.138 8.568 368 2HB ASN 49 HB1 ASN 49 9.217 -8.535 8.753 369 1HD2 ASN 49 HD2 ASN 49 11.249 -9.590 10.673 370 2HD2 ASN 49 HD2 ASN 49 10.414 -10.811 11.565 371 H MET 50 HN MET 50 8.140 -10.730 5.203 372 HA MET 50 HA MET 50 6.015 -8.760 5.604 373 1HB MET 50 HB1 MET 50 5.346 -9.411 3.278 374 2HB MET 50 HB2 MET 50 6.959 -8.724 3.404 375 1HG MET 50 HG2 MET 50 7.734 -11.183 3.540 376 2HG MET 50 HG1 MET 50 6.139 -11.546 2.883 377 1HE MET 50 HE1 MET 50 5.766 -10.633 -0.309 378 2HE MET 50 HE2 MET 50 6.110 -8.946 0.074 379 3HE MET 50 HE3 MET 50 5.188 -9.937 1.205 380 H LYS 51 HN LYS 51 3.805 -9.325 5.565 381 HA LYS 51 HA LYS 51 3.303 -12.091 6.411 382 1HB LYS 51 HB1 LYS 51 1.798 -9.528 6.927 383 2HB LYS 51 HB2 LYS 51 1.127 -11.111 7.294 384 1HG LYS 51 HG2 LYS 51 3.608 -11.186 8.488 385 2HG LYS 51 HG1 LYS 51 3.070 -9.526 8.754 386 1HD LYS 51 HD2 LYS 51 1.341 -10.153 10.092 387 2HD LYS 51 HD1 LYS 51 1.090 -11.675 9.235 388 1HE LYS 51 HE1 LYS 51 3.519 -12.128 10.308 389 2HE LYS 51 HE2 LYS 51 2.839 -11.050 11.526 390 1HZ LYS 51 HZ1 LYS 51 2.402 -13.742 11.314 391 2HZ LYS 51 HZ2 LYS 51 0.975 -13.054 10.723 392 3HZ LYS 51 HZ3 LYS 51 1.526 -12.658 12.273 393 HA PRO 52 HA PRO 52 0.996 -13.324 2.915 394 1HB PRO 52 HB1 PRO 52 -1.422 -14.083 4.117 395 2HB PRO 52 HB2 PRO 52 -0.012 -15.113 3.854 396 1HG PRO 52 HG1 PRO 52 -0.863 -13.653 6.308 397 2HG PRO 52 HG2 PRO 52 -0.071 -15.232 6.154 398 1HD PRO 52 HD1 PRO 52 1.294 -13.070 6.931 399 2HD PRO 52 HD2 PRO 52 2.032 -14.287 5.867 400 H GLY 53 HN GLY 53 -1.271 -11.694 5.161 401 1HA GLY 53 HA1 GLY 53 -2.471 -10.364 2.825 402 2HA GLY 53 HA2 GLY 53 -3.274 -10.617 4.366 403 H GLU 54 HN GLU 54 -0.258 -9.092 3.225 404 HA GLU 54 HA GLU 54 -0.615 -6.990 5.214 405 1HB GLU 54 HB2 GLU 54 1.637 -7.952 3.541 406 2HB GLU 54 HB1 GLU 54 1.632 -6.241 3.955 407 1HG GLU 54 HG1 GLU 54 1.379 -8.434 5.991 408 2HG GLU 54 HG2 GLU 54 2.920 -7.731 5.501 409 H ILE 55 HN ILE 55 -0.771 -4.813 4.775 410 HA ILE 55 HA ILE 55 -1.190 -3.990 1.993 411 HB ILE 55 HB ILE 55 -3.010 -3.056 4.207 412 1HG1 ILE 55 HG1 ILE 55 -4.022 -4.876 2.080 413 2HG1 ILE 55 HG1 ILE 55 -3.073 -5.603 3.373 414 1HG2 ILE 55 HG2 ILE 55 -2.851 -2.634 1.255 415 2HG2 ILE 55 HG2 ILE 55 -3.079 -1.456 2.547 416 3HG2 ILE 55 HG2 ILE 55 -4.406 -2.520 2.079 417 1HD1 ILE 55 HD1 ILE 55 -5.768 -5.127 3.423 418 2HD1 ILE 55 HD1 ILE 55 -5.111 -3.783 4.357 419 3HD1 ILE 55 HD1 ILE 55 -4.746 -5.444 4.825 420 H LEU 56 HN LEU 56 0.590 -2.702 1.813 421 HA LEU 56 HA LEU 56 0.964 -0.647 3.887 422 1HB LEU 56 HB2 LEU 56 3.256 -1.310 2.160 423 2HB LEU 56 HB1 LEU 56 3.205 -0.964 3.877 424 HG LEU 56 HG LEU 56 2.287 -3.586 2.713 425 1HD1 LEU 56 HD1 LEU 56 4.969 -2.569 3.025 426 2HD1 LEU 56 HD1 LEU 56 4.416 -4.081 2.306 427 3HD1 LEU 56 HD1 LEU 56 4.699 -3.983 4.043 428 1HD2 LEU 56 HD2 LEU 56 2.917 -4.234 5.141 429 2HD2 LEU 56 HD2 LEU 56 1.386 -3.415 4.828 430 3HD2 LEU 56 HD2 LEU 56 2.762 -2.505 5.454 431 H GLU 57 HN GLU 57 1.406 1.431 3.303 432 HA GLU 57 HA GLU 57 1.256 2.055 0.431 433 1HB GLU 57 HB2 GLU 57 -0.277 3.689 0.758 434 2HB GLU 57 HB1 GLU 57 -0.664 2.758 2.196 435 1HG GLU 57 HG1 GLU 57 0.891 4.220 3.478 436 2HG GLU 57 HG2 GLU 57 1.066 5.210 2.029 437 H VAL 58 HN VAL 58 2.903 3.233 -0.370 438 HA VAL 58 HA VAL 58 4.867 4.252 1.572 439 HB VAL 58 HB VAL 58 5.564 3.546 -1.258 440 1HG1 VAL 58 HG2 VAL 58 7.478 2.985 0.850 441 2HG1 VAL 58 HG2 VAL 58 6.971 4.674 0.837 442 3HG1 VAL 58 HG2 VAL 58 7.661 3.948 -0.615 443 1HG2 VAL 58 HG1 VAL 58 6.347 1.417 0.404 444 2HG2 VAL 58 HG1 VAL 58 5.174 1.388 -0.912 445 3HG2 VAL 58 HG1 VAL 58 4.641 1.712 0.737 446 H TRP 59 HN TRP 59 5.379 6.320 1.557 447 HA TRP 59 HA TRP 59 4.685 7.937 -0.808 448 1HB TRP 59 HB1 TRP 59 3.380 8.212 1.501 449 2HB TRP 59 HB2 TRP 59 4.776 9.212 1.887 450 HD1 TRP 59 HD1 TRP 59 4.760 10.074 -1.455 451 HE1 TRP 59 HE1 TRP 59 3.206 12.038 -2.043 452 HE3 TRP 59 HE3 TRP 59 1.771 10.021 2.696 453 HZ2 TRP 59 HZ2 TRP 59 1.008 13.386 -0.902 454 HZ3 TRP 59 HZ3 TRP 59 -0.035 11.683 2.868 455 HH2 TRP 59 HH2 TRP 59 -0.407 13.331 1.105 456 H ILE 60 HN ILE 60 6.569 8.345 -1.792 457 HA ILE 60 HA ILE 60 8.617 9.806 -0.378 458 HB ILE 60 HB ILE 60 10.298 8.011 -1.509 459 1HG1 ILE 60 HG1 ILE 60 9.420 5.760 -0.616 460 2HG1 ILE 60 HG1 ILE 60 7.830 6.518 -0.633 461 1HG2 ILE 60 HG2 ILE 60 9.896 7.026 1.072 462 2HG2 ILE 60 HG2 ILE 60 9.421 8.723 1.135 463 3HG2 ILE 60 HG2 ILE 60 11.030 8.278 0.567 464 1HD1 ILE 60 HD1 ILE 60 9.270 6.847 -3.135 465 2HD1 ILE 60 HD1 ILE 60 7.628 6.281 -2.832 466 3HD1 ILE 60 HD1 ILE 60 8.985 5.161 -2.707 467 H ASP 61 HN ASP 61 10.699 9.455 -2.197 468 HA ASP 61 HA ASP 61 9.534 10.623 -4.635 469 1HB ASP 61 HB2 ASP 61 12.118 11.112 -3.180 470 2HB ASP 61 HB1 ASP 61 11.977 11.496 -4.893 471 H TYR 62 HN TYR 62 11.806 8.270 -3.371 472 HA TYR 62 HA TYR 62 12.375 7.320 -6.090 473 1HB TYR 62 HB1 TYR 62 14.002 7.634 -3.820 474 2HB TYR 62 HB2 TYR 62 13.790 5.896 -4.008 475 HD1 TYR 62 HD1 TYR 62 14.991 8.961 -5.684 476 HD2 TYR 62 HD2 TYR 62 14.860 4.710 -5.766 477 HE1 TYR 62 HE1 TYR 62 16.706 8.948 -7.447 478 HE2 TYR 62 HE2 TYR 62 16.575 4.685 -7.529 479 HH TYR 62 HH TYR 62 18.566 6.660 -8.189 480 HA PRO 63 HA PRO 63 9.168 4.244 -5.368 481 1HB PRO 63 HB1 PRO 63 10.490 3.044 -7.747 482 2HB PRO 63 HB2 PRO 63 8.781 3.391 -7.463 483 1HG PRO 63 HG1 PRO 63 10.229 4.926 -9.089 484 2HG PRO 63 HG2 PRO 63 9.010 5.634 -8.013 485 1HD PRO 63 HD2 PRO 63 11.986 5.603 -7.751 486 2HD PRO 63 HD1 PRO 63 10.828 6.882 -7.330 487 H MET 64 HN MET 64 9.939 3.261 -3.502 488 HA MET 64 HA MET 64 12.259 1.629 -3.410 489 1HB MET 64 HB1 MET 64 9.861 1.838 -1.586 490 2HB MET 64 HB2 MET 64 11.254 0.825 -1.236 491 1HG MET 64 HG1 MET 64 12.609 3.002 -1.540 492 2HG MET 64 HG2 MET 64 11.053 3.801 -1.322 493 1HE MET 64 HE1 MET 64 12.678 4.403 2.148 494 2HE MET 64 HE2 MET 64 12.178 5.098 0.606 495 3HE MET 64 HE3 MET 64 13.686 4.191 0.716 496 H SER 65 HN SER 65 9.233 1.130 -4.773 497 HA SER 65 HA SER 65 8.753 -1.582 -4.244 498 1HB SER 65 HB1 SER 65 6.988 -1.297 -5.622 499 2HB SER 65 HB2 SER 65 7.480 0.395 -5.680 500 HG SER 65 HG SER 65 7.218 -0.988 -7.732 501 H LYS 66 HN LYS 66 11.223 -0.103 -6.040 502 HA LYS 66 HA LYS 66 11.689 -1.974 -8.068 503 1HB LYS 66 HB1 LYS 66 14.038 -1.121 -8.016 504 2HB LYS 66 HB2 LYS 66 12.821 0.145 -8.107 505 1HG LYS 66 HG2 LYS 66 13.683 1.107 -6.316 506 2HG LYS 66 HG1 LYS 66 13.354 -0.345 -5.368 507 1HD LYS 66 HD2 LYS 66 15.588 -0.400 -5.110 508 2HD LYS 66 HD1 LYS 66 15.575 -1.104 -6.729 509 1HE LYS 66 HE2 LYS 66 15.635 1.379 -7.509 510 2HE LYS 66 HE1 LYS 66 16.230 1.685 -5.878 511 1HZ LYS 66 HZ1 LYS 66 17.885 1.198 -7.795 512 2HZ LYS 66 HZ2 LYS 66 17.491 -0.419 -7.494 513 3HZ LYS 66 HZ3 LYS 66 18.156 0.532 -6.263 514 H GLU 67 HN GLU 67 12.495 -2.011 -4.664 515 HA GLU 67 HA GLU 67 14.052 -4.467 -4.977 516 1HB GLU 67 HB2 GLU 67 13.707 -2.446 -2.812 517 2HB GLU 67 HB1 GLU 67 14.107 -4.092 -2.339 518 1HG GLU 67 HG1 GLU 67 15.843 -3.420 -4.446 519 2HG GLU 67 HG2 GLU 67 15.810 -2.039 -3.351 520 H ARG 68 HN ARG 68 10.981 -3.289 -3.889 521 HA ARG 68 HA ARG 68 10.155 -5.487 -2.345 522 1HB ARG 68 HB1 ARG 68 8.765 -3.278 -3.798 523 2HB ARG 68 HB2 ARG 68 7.806 -4.634 -3.220 524 1HG ARG 68 HG1 ARG 68 9.229 -4.076 -1.001 525 2HG ARG 68 HG2 ARG 68 9.121 -2.470 -1.726 526 1HD ARG 68 HD1 ARG 68 6.709 -2.641 -1.826 527 2HD ARG 68 HD2 ARG 68 6.775 -4.292 -1.210 528 HE ARG 68 HE ARG 68 7.044 -3.460 0.908 529 1HH1 ARG 68 HH1 ARG 68 7.577 -0.907 -1.404 530 2HH1 ARG 68 HH1 ARG 68 7.635 0.341 -0.205 531 1HH2 ARG 68 HH2 ARG 68 7.118 -1.823 2.493 532 2HH2 ARG 68 HH2 ARG 68 7.373 -0.179 2.010 533 H ILE 69 HN ILE 69 10.007 -4.852 -5.816 534 HA ILE 69 HA ILE 69 8.329 -6.953 -6.553 535 HB ILE 69 HB ILE 69 10.573 -5.705 -8.129 536 1HG1 ILE 69 HG1 ILE 69 7.679 -5.223 -8.664 537 2HG1 ILE 69 HG1 ILE 69 8.396 -4.439 -7.260 538 1HG2 ILE 69 HG2 ILE 69 8.781 -6.638 -9.960 539 2HG2 ILE 69 HG2 ILE 69 8.762 -7.918 -8.747 540 3HG2 ILE 69 HG2 ILE 69 10.282 -7.446 -9.507 541 1HD1 ILE 69 HD1 ILE 69 10.042 -3.363 -8.668 542 2HD1 ILE 69 HD1 ILE 69 8.411 -3.002 -9.234 543 3HD1 ILE 69 HD1 ILE 69 9.397 -4.191 -10.085 544 HA PRO 70 HA PRO 70 12.446 -9.589 -7.396 545 1HB PRO 70 HB1 PRO 70 13.988 -8.398 -5.133 546 2HB PRO 70 HB2 PRO 70 14.568 -9.055 -6.669 547 1HG PRO 70 HG1 PRO 70 14.433 -6.428 -6.291 548 2HG PRO 70 HG2 PRO 70 13.990 -7.141 -7.853 549 1HD PRO 70 HD1 PRO 70 12.239 -6.054 -5.700 550 2HD PRO 70 HD2 PRO 70 12.019 -6.021 -7.459 551 H GLU 71 HN GLU 71 11.625 -8.458 -4.119 552 HA GLU 71 HA GLU 71 12.050 -10.969 -2.873 553 1HB GLU 71 HB1 GLU 71 11.100 -8.340 -2.104 554 2HB GLU 71 HB2 GLU 71 10.167 -9.610 -1.323 555 1HG GLU 71 HG1 GLU 71 11.818 -9.414 0.204 556 2HG GLU 71 HG2 GLU 71 12.593 -10.580 -0.867 557 H THR 72 HN THR 72 8.990 -9.316 -3.713 558 HA THR 72 HA THR 72 7.305 -11.407 -2.989 559 HB THR 72 HB THR 72 5.986 -10.161 -5.063 560 HG1 THR 72 HG1 THR 72 6.558 -8.016 -4.972 561 1HG2 THR 72 HG2 THR 72 6.193 -9.430 -2.168 562 2HG2 THR 72 HG2 THR 72 4.923 -10.343 -2.983 563 3HG2 THR 72 HG2 THR 72 5.098 -8.614 -3.283 564 H VAL 73 HN VAL 73 8.741 -10.654 -6.156 565 HA VAL 73 HA VAL 73 7.477 -12.669 -7.602 566 HB VAL 73 HB VAL 73 8.830 -10.802 -8.590 567 1HG1 VAL 73 HG1 VAL 73 10.941 -10.579 -7.930 568 2HG1 VAL 73 HG1 VAL 73 11.319 -12.006 -8.894 569 3HG1 VAL 73 HG1 VAL 73 10.941 -12.175 -7.179 570 1HG2 VAL 73 HG2 VAL 73 9.579 -12.093 -10.512 571 2HG2 VAL 73 HG2 VAL 73 8.023 -12.684 -9.930 572 3HG2 VAL 73 HG2 VAL 73 9.499 -13.577 -9.562 573 H LYS 74 HN LYS 74 10.172 -12.829 -5.392 574 HA LYS 74 HA LYS 74 11.224 -15.337 -6.134 575 1HB LYS 74 HB2 LYS 74 11.107 -13.826 -3.537 576 2HB LYS 74 HB1 LYS 74 11.738 -15.466 -3.583 577 1HG LYS 74 HG2 LYS 74 12.816 -13.425 -5.472 578 2HG LYS 74 HG1 LYS 74 13.347 -13.434 -3.789 579 1HD LYS 74 HD1 LYS 74 13.514 -16.084 -4.497 580 2HD LYS 74 HD2 LYS 74 14.012 -15.250 -5.971 581 1HE LYS 74 HE2 LYS 74 15.919 -14.479 -5.050 582 2HE LYS 74 HE1 LYS 74 15.171 -14.206 -3.477 583 1HZ LYS 74 HZ1 LYS 74 16.305 -15.992 -2.833 584 2HZ LYS 74 HZ2 LYS 74 16.663 -16.465 -4.417 585 3HZ LYS 74 HZ3 LYS 74 15.191 -16.911 -3.714 586 H LYS 75 HN LYS 75 8.592 -14.352 -4.014 587 HA LYS 75 HA LYS 75 7.747 -17.111 -3.600 588 1HB LYS 75 HB2 LYS 75 6.734 -14.451 -2.609 589 2HB LYS 75 HB1 LYS 75 5.825 -15.936 -2.367 590 1HG LYS 75 HG1 LYS 75 6.980 -16.230 -0.501 591 2HG LYS 75 HG2 LYS 75 8.397 -16.542 -1.507 592 1HD LYS 75 HD2 LYS 75 9.029 -14.852 0.026 593 2HD LYS 75 HD1 LYS 75 8.780 -14.045 -1.525 594 1HE LYS 75 HE2 LYS 75 7.702 -12.642 -0.020 595 2HE LYS 75 HE1 LYS 75 6.388 -13.620 -0.672 596 1HZ LYS 75 HZ1 LYS 75 5.929 -14.372 1.346 597 2HZ LYS 75 HZ2 LYS 75 7.064 -13.291 1.983 598 3HZ LYS 75 HZ3 LYS 75 7.525 -14.873 1.600 599 H LEU 76 HN LEU 76 5.686 -14.327 -4.335 600 HA LEU 76 HA LEU 76 4.380 -15.916 -6.427 601 1HB LEU 76 HB1 LEU 76 2.762 -13.775 -6.218 602 2HB LEU 76 HB2 LEU 76 2.553 -15.251 -5.301 603 HG LEU 76 HG LEU 76 2.304 -13.107 -4.013 604 1HD1 LEU 76 HD1 LEU 76 3.524 -15.540 -3.297 605 2HD1 LEU 76 HD1 LEU 76 2.664 -14.403 -2.259 606 3HD1 LEU 76 HD1 LEU 76 4.408 -14.257 -2.473 607 1HD2 LEU 76 HD2 LEU 76 5.091 -12.794 -4.904 608 2HD2 LEU 76 HD2 LEU 76 4.756 -12.386 -3.222 609 3HD2 LEU 76 HD2 LEU 76 3.871 -11.581 -4.518 610 H GLY 77 HN GLY 77 3.837 -12.544 -6.524 611 1HA GLY 77 HA1 GLY 77 5.878 -12.182 -8.613 612 2HA GLY 77 HA2 GLY 77 4.202 -11.767 -8.940 613 H HIS 78 HN HIS 78 3.224 -10.055 -7.676 614 HA HIS 78 HA HIS 78 5.024 -8.342 -6.175 615 1HB HIS 78 HB1 HIS 78 3.874 -6.414 -7.708 616 2HB HIS 78 HB2 HIS 78 5.477 -7.082 -7.999 617 HD2 HIS 78 HD2 HIS 78 5.687 -7.406 -10.638 618 HE1 HIS 78 HE1 HIS 78 1.818 -8.985 -11.316 619 HE2 HIS 78 HE2 HIS 78 4.038 -8.386 -12.386 620 H GLU 79 HN GLU 79 3.772 -6.361 -5.339 621 HA GLU 79 HA GLU 79 1.077 -7.225 -4.580 622 1HB GLU 79 HB1 GLU 79 2.704 -5.176 -3.107 623 2HB GLU 79 HB2 GLU 79 1.402 -6.187 -2.505 624 1HG GLU 79 HG2 GLU 79 2.797 -7.805 -1.904 625 2HG GLU 79 HG1 GLU 79 3.662 -7.741 -3.439 626 H VAL 80 HN VAL 80 0.498 -6.255 -6.728 627 HA VAL 80 HA VAL 80 0.568 -3.337 -6.771 628 HB VAL 80 HB VAL 80 -0.681 -4.828 -9.007 629 1HG1 VAL 80 HG1 VAL 80 -0.105 -2.282 -8.719 630 2HG1 VAL 80 HG1 VAL 80 0.074 -3.079 -10.282 631 3HG1 VAL 80 HG1 VAL 80 1.488 -2.804 -9.265 632 1HG2 VAL 80 HG2 VAL 80 2.247 -5.026 -8.333 633 2HG2 VAL 80 HG2 VAL 80 1.608 -5.298 -9.954 634 3HG2 VAL 80 HG2 VAL 80 1.108 -6.341 -8.623 635 H LEU 81 HN LEU 81 -1.074 -2.226 -5.996 636 HA LEU 81 HA LEU 81 -3.786 -3.243 -6.411 637 1HB LEU 81 HB1 LEU 81 -4.462 -2.905 -4.219 638 2HB LEU 81 HB2 LEU 81 -2.870 -3.615 -4.041 639 HG LEU 81 HG LEU 81 -2.331 -0.909 -4.057 640 1HD1 LEU 81 HD1 LEU 81 -4.959 -1.420 -2.692 641 2HD1 LEU 81 HD1 LEU 81 -4.571 -0.189 -3.893 642 3HD1 LEU 81 HD1 LEU 81 -3.907 -0.072 -2.263 643 1HD2 LEU 81 HD2 LEU 81 -1.901 -3.078 -2.437 644 2HD2 LEU 81 HD2 LEU 81 -2.828 -1.993 -1.400 645 3HD2 LEU 81 HD2 LEU 81 -1.325 -1.438 -2.138 646 H GLU 82 HN GLU 82 -1.734 -0.464 -5.690 647 HA GLU 82 HA GLU 82 -3.427 1.178 -7.367 648 1HB GLU 82 HB1 GLU 82 -4.644 1.574 -5.429 649 2HB GLU 82 HB2 GLU 82 -3.205 1.606 -4.433 650 1HG GLU 82 HG1 GLU 82 -3.071 3.802 -4.608 651 2HG GLU 82 HG2 GLU 82 -3.042 3.693 -6.367 652 H ILE 83 HN ILE 83 -2.442 2.986 -8.197 653 HA ILE 83 HA ILE 83 0.226 3.721 -7.262 654 HB ILE 83 HB ILE 83 -0.309 3.032 -10.156 655 1HG1 ILE 83 HG1 ILE 83 1.816 1.493 -9.255 656 2HG1 ILE 83 HG1 ILE 83 0.681 1.451 -7.909 657 1HG2 ILE 83 HG2 ILE 83 1.752 3.841 -10.697 658 2HG2 ILE 83 HG2 ILE 83 2.410 3.556 -9.086 659 3HG2 ILE 83 HG2 ILE 83 1.349 4.935 -9.373 660 1HD1 ILE 83 HD1 ILE 83 -0.538 -0.055 -8.961 661 2HD1 ILE 83 HD1 ILE 83 0.630 -0.055 -10.282 662 3HD1 ILE 83 HD1 ILE 83 -0.755 1.036 -10.329 663 H GLU 84 HN GLU 84 0.490 5.898 -7.300 664 HA GLU 84 HA GLU 84 -0.983 7.511 -9.220 665 1HB GLU 84 HB2 GLU 84 -1.952 8.957 -7.479 666 2HB GLU 84 HB1 GLU 84 -2.574 7.315 -7.392 667 1HG GLU 84 HG1 GLU 84 -0.768 6.934 -5.616 668 2HG GLU 84 HG2 GLU 84 -0.651 8.692 -5.559 669 H GLU 85 HN GLU 85 -0.529 9.946 -8.633 670 HA GLU 85 HA GLU 85 2.275 10.238 -7.798 671 1HB GLU 85 HB2 GLU 85 2.637 11.824 -9.661 672 2HB GLU 85 HB1 GLU 85 2.283 10.197 -10.225 673 1HG GLU 85 HG1 GLU 85 -0.034 11.990 -9.944 674 2HG GLU 85 HG2 GLU 85 1.126 12.413 -11.203 675 H VAL 86 HN VAL 86 2.859 12.448 -7.204 676 HA VAL 86 HA VAL 86 0.530 14.026 -6.324 677 HB VAL 86 HB VAL 86 3.113 13.901 -4.786 678 1HG1 VAL 86 HG1 VAL 86 1.202 15.714 -4.584 679 2HG1 VAL 86 HG1 VAL 86 2.041 15.097 -3.161 680 3HG1 VAL 86 HG1 VAL 86 0.451 14.466 -3.589 681 1HG2 VAL 86 HG2 VAL 86 2.633 11.877 -4.015 682 2HG2 VAL 86 HG2 VAL 86 1.217 11.804 -5.065 683 3HG2 VAL 86 HG2 VAL 86 1.074 12.465 -3.436 684 H GLY 87 HN GLY 87 4.081 14.377 -6.546 685 1HA GLY 87 HA1 GLY 87 3.615 16.946 -7.928 686 2HA GLY 87 HA2 GLY 87 4.831 16.776 -6.671 687 HA PRO 88 HA PRO 88 7.192 16.354 -10.571 688 1HB PRO 88 HB2 PRO 88 9.422 16.813 -8.682 689 2HB PRO 88 HB1 PRO 88 9.044 17.635 -10.198 690 1HG PRO 88 HG2 PRO 88 8.649 18.834 -7.844 691 2HG PRO 88 HG1 PRO 88 7.525 19.068 -9.196 692 1HD PRO 88 HD1 PRO 88 7.239 17.336 -6.771 693 2HD PRO 88 HD2 PRO 88 6.024 18.342 -7.588 694 H SER 89 HN SER 89 9.320 15.421 -7.928 695 HA SER 89 HA SER 89 9.489 12.741 -9.089 696 1HB SER 89 HB2 SER 89 11.509 12.668 -7.397 697 2HB SER 89 HB1 SER 89 11.660 13.540 -8.923 698 HG SER 89 HG SER 89 11.946 15.289 -7.818 699 H GLU 90 HN GLU 90 7.789 14.221 -6.742 700 HA GLU 90 HA GLU 90 7.971 12.069 -4.776 701 1HB GLU 90 HB2 GLU 90 6.167 13.545 -3.626 702 2HB GLU 90 HB1 GLU 90 7.835 14.098 -3.650 703 1HG GLU 90 HG1 GLU 90 7.346 15.569 -5.516 704 2HG GLU 90 HG2 GLU 90 5.683 14.986 -5.557 705 H TRP 91 HN TRP 91 6.758 10.320 -5.041 706 HA TRP 91 HA TRP 91 4.063 10.644 -6.175 707 1HB TRP 91 HB2 TRP 91 5.918 8.332 -6.778 708 2HB TRP 91 HB1 TRP 91 4.320 8.611 -7.464 709 HD1 TRP 91 HD1 TRP 91 4.227 11.181 -8.820 710 HE1 TRP 91 HE1 TRP 91 5.932 12.018 -10.557 711 HE3 TRP 91 HE3 TRP 91 8.177 8.175 -7.596 712 HZ2 TRP 91 HZ2 TRP 91 8.598 11.477 -11.309 713 HZ3 TRP 91 HZ3 TRP 91 10.269 8.397 -8.873 714 HH2 TRP 91 HH2 TRP 91 10.473 10.015 -10.691 715 H LYS 92 HN LYS 92 2.680 8.676 -5.771 716 HA LYS 92 HA LYS 92 3.274 7.517 -3.128 717 1HB LYS 92 HB1 LYS 92 1.206 9.296 -3.744 718 2HB LYS 92 HB2 LYS 92 0.433 7.717 -3.700 719 1HG LYS 92 HG1 LYS 92 2.160 7.906 -1.458 720 2HG LYS 92 HG2 LYS 92 1.192 9.380 -1.537 721 1HD LYS 92 HD1 LYS 92 -0.766 7.679 -1.976 722 2HD LYS 92 HD2 LYS 92 0.326 6.553 -1.166 723 1HE LYS 92 HE1 LYS 92 -0.230 7.385 0.814 724 2HE LYS 92 HE2 LYS 92 0.254 9.001 0.300 725 1HZ LYS 92 HZ1 LYS 92 -2.356 7.948 0.669 726 2HZ LYS 92 HZ2 LYS 92 -2.176 8.541 -0.905 727 3HZ LYS 92 HZ3 LYS 92 -1.875 9.550 0.419 728 H ILE 93 HN ILE 93 3.197 5.362 -3.046 729 HA ILE 93 HA ILE 93 1.816 3.938 -5.225 730 HB ILE 93 HB ILE 93 4.392 3.054 -3.926 731 1HG1 ILE 93 HG1 ILE 93 4.991 3.540 -6.549 732 2HG1 ILE 93 HG1 ILE 93 3.847 4.835 -6.211 733 1HG2 ILE 93 HG2 ILE 93 2.791 1.328 -4.873 734 2HG2 ILE 93 HG2 ILE 93 4.441 1.303 -5.497 735 3HG2 ILE 93 HG2 ILE 93 3.146 2.020 -6.456 736 1HD1 ILE 93 HD1 ILE 93 5.582 5.967 -5.425 737 2HD1 ILE 93 HD1 ILE 93 6.604 4.530 -5.389 738 3HD1 ILE 93 HD1 ILE 93 5.532 4.884 -4.034 739 H TYR 94 HN TYR 94 0.804 2.007 -4.711 740 HA TYR 94 HA TYR 94 0.577 1.425 -1.834 741 1HB TYR 94 HB1 TYR 94 -1.511 1.586 -3.970 742 2HB TYR 94 HB2 TYR 94 -1.742 0.463 -2.635 743 HD1 TYR 94 HD1 TYR 94 -1.182 4.041 -3.440 744 HD2 TYR 94 HD2 TYR 94 -2.516 1.221 -0.548 745 HE1 TYR 94 HE1 TYR 94 -2.054 5.878 -2.059 746 HE2 TYR 94 HE2 TYR 94 -3.391 3.050 0.842 747 HH TYR 94 HH TYR 94 -4.056 5.308 0.708 748 H ILE 95 HN ILE 95 1.259 -0.495 -1.257 749 HA ILE 95 HA ILE 95 1.291 -2.680 -3.235 750 HB ILE 95 HB ILE 95 3.486 -1.480 -1.878 751 1HG1 ILE 95 HG1 ILE 95 4.756 -3.295 -3.132 752 2HG1 ILE 95 HG1 ILE 95 3.188 -3.893 -3.665 753 1HG2 ILE 95 HG2 ILE 95 3.039 -4.337 -1.028 754 2HG2 ILE 95 HG2 ILE 95 3.030 -2.921 0.022 755 3HG2 ILE 95 HG2 ILE 95 4.520 -3.411 -0.784 756 1HD1 ILE 95 HD1 ILE 95 4.676 -1.480 -4.482 757 2HD1 ILE 95 HD1 ILE 95 2.919 -1.351 -4.395 758 3HD1 ILE 95 HD1 ILE 95 3.664 -2.572 -5.427 759 H LYS 96 HN LYS 96 0.763 -4.760 -2.467 760 HA LYS 96 HA LYS 96 0.105 -5.056 0.348 761 1HB LYS 96 HB2 LYS 96 -2.004 -4.313 -0.028 762 2HB LYS 96 HB1 LYS 96 -1.948 -4.682 -1.745 763 1HG LYS 96 HG1 LYS 96 -1.969 -7.087 -0.133 764 2HG LYS 96 HG2 LYS 96 -3.356 -6.048 0.201 765 1HD LYS 96 HD1 LYS 96 -3.067 -6.033 -2.578 766 2HD LYS 96 HD2 LYS 96 -2.828 -7.712 -2.090 767 1HE LYS 96 HE2 LYS 96 -4.995 -7.976 -1.660 768 2HE LYS 96 HE1 LYS 96 -5.039 -6.517 -0.670 769 1HZ LYS 96 HZ1 LYS 96 -5.072 -6.390 -3.624 770 2HZ LYS 96 HZ2 LYS 96 -5.529 -5.198 -2.515 771 3HZ LYS 96 HZ3 LYS 96 -6.496 -6.570 -2.728 772 H VAL 97 HN VAL 97 0.943 -6.922 0.911 773 HA VAL 97 HA VAL 97 1.630 -8.978 -0.913 774 HB VAL 97 HB VAL 97 1.312 -9.311 2.068 775 1HG1 VAL 97 HG2 VAL 97 1.722 -11.298 0.516 776 2HG1 VAL 97 HG2 VAL 97 2.818 -11.098 1.886 777 3HG1 VAL 97 HG2 VAL 97 3.329 -10.615 0.267 778 1HG2 VAL 97 HG1 VAL 97 2.647 -7.291 1.537 779 2HG2 VAL 97 HG1 VAL 97 3.752 -8.307 0.611 780 3HG2 VAL 97 HG1 VAL 97 3.577 -8.551 2.349 781 H LYS 98 HN LYS 98 0.422 -10.558 -1.732 782 HA LYS 98 HA LYS 98 -2.338 -10.827 -0.914 783 1HB LYS 98 HB2 LYS 98 -0.877 -11.238 -3.296 784 2HB LYS 98 HB1 LYS 98 -1.520 -12.807 -2.833 785 1HG LYS 98 HG1 LYS 98 -3.741 -12.048 -2.933 786 2HG LYS 98 HG2 LYS 98 -3.243 -10.355 -2.969 787 1HD LYS 98 HD1 LYS 98 -2.401 -10.558 -5.180 788 2HD LYS 98 HD2 LYS 98 -2.540 -12.317 -5.141 789 1HE LYS 98 HE2 LYS 98 -4.332 -11.333 -6.464 790 2HE LYS 98 HE1 LYS 98 -4.973 -12.126 -5.026 791 1HZ LYS 98 HZ1 LYS 98 -5.861 -10.227 -4.351 792 2HZ LYS 98 HZ2 LYS 98 -5.427 -9.532 -5.830 793 3HZ LYS 98 HZ3 LYS 98 -4.393 -9.400 -4.498 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -24.745 -17.615 15.126 2 2H GLY 1 HT2 GLY 1 -25.272 -18.912 16.076 3 3H GLY 1 HT3 GLY 1 -25.254 -17.345 16.715 4 1HA GLY 1 HA2 GLY 1 -26.844 -16.803 14.763 5 2HA GLY 1 HA1 GLY 1 -27.111 -18.539 14.771 6 H SER 2 HN SER 2 -28.829 -16.163 15.477 7 HA SER 2 HA SER 2 -29.643 -17.116 18.145 8 1HB SER 2 HB2 SER 2 -28.635 -14.679 17.826 9 2HB SER 2 HB1 SER 2 -30.281 -14.322 17.302 10 HG SER 2 HG SER 2 -30.300 -15.802 19.556 11 H SER 3 HN SER 3 -30.653 -15.814 15.032 12 HA SER 3 HA SER 3 -33.253 -17.112 15.397 13 1HB SER 3 HB1 SER 3 -32.882 -14.266 14.427 14 2HB SER 3 HB2 SER 3 -34.407 -15.151 14.409 15 HG SER 3 HG SER 3 -33.820 -15.416 16.804 16 H HIS 4 HN HIS 4 -34.429 -16.363 13.019 17 HA HIS 4 HA HIS 4 -32.797 -17.854 11.121 18 1HB HIS 4 HB1 HIS 4 -35.549 -17.750 11.677 19 2HB HIS 4 HB2 HIS 4 -35.362 -17.021 10.085 20 HD2 HIS 4 HD2 HIS 4 -36.734 -20.006 10.535 21 HE1 HIS 4 HE1 HIS 4 -33.186 -21.307 8.627 22 HE2 HIS 4 HE2 HIS 4 -35.555 -21.942 9.271 23 H HIS 5 HN HIS 5 -33.795 -14.631 11.770 24 HA HIS 5 HA HIS 5 -33.542 -13.592 9.131 25 1HB HIS 5 HB2 HIS 5 -34.492 -12.616 11.522 26 2HB HIS 5 HB1 HIS 5 -32.993 -11.715 11.318 27 HD2 HIS 5 HD2 HIS 5 -36.097 -10.445 10.966 28 HE1 HIS 5 HE1 HIS 5 -34.753 -9.972 6.980 29 HE2 HIS 5 HE2 HIS 5 -36.475 -9.247 8.694 30 H HIS 6 HN HIS 6 -31.698 -13.659 8.037 31 HA HIS 6 HA HIS 6 -29.143 -13.926 9.195 32 1HB HIS 6 HB2 HIS 6 -30.107 -13.242 6.428 33 2HB HIS 6 HB1 HIS 6 -28.389 -13.235 6.816 34 HD2 HIS 6 HD2 HIS 6 -27.962 -15.431 5.151 35 HE1 HIS 6 HE1 HIS 6 -30.127 -18.125 7.597 36 HE2 HIS 6 HE2 HIS 6 -28.544 -17.916 5.626 37 H HIS 7 HN HIS 7 -27.677 -12.485 9.867 38 HA HIS 7 HA HIS 7 -28.350 -9.633 9.591 39 1HB HIS 7 HB2 HIS 7 -27.713 -11.175 11.859 40 2HB HIS 7 HB1 HIS 7 -26.306 -10.159 11.561 41 HD2 HIS 7 HD2 HIS 7 -30.177 -9.653 12.114 42 HE1 HIS 7 HE1 HIS 7 -28.056 -6.213 13.374 43 HE2 HIS 7 HE2 HIS 7 -30.337 -7.313 13.225 44 H HIS 8 HN HIS 8 -25.996 -8.450 10.216 45 HA HIS 8 HA HIS 8 -24.403 -9.026 7.844 46 1HB HIS 8 HB2 HIS 8 -24.185 -6.721 9.794 47 2HB HIS 8 HB1 HIS 8 -23.362 -6.855 8.242 48 HD2 HIS 8 HD2 HIS 8 -25.699 -4.537 9.152 49 HE1 HIS 8 HE1 HIS 8 -27.721 -6.348 5.904 50 HE2 HIS 8 HE2 HIS 8 -27.615 -4.315 7.416 51 H HIS 9 HN HIS 9 -23.634 -11.049 8.885 52 HA HIS 9 HA HIS 9 -21.230 -10.487 10.482 53 1HB HIS 9 HB1 HIS 9 -23.456 -12.353 11.078 54 2HB HIS 9 HB2 HIS 9 -21.831 -12.973 11.351 55 HD2 HIS 9 HD2 HIS 9 -24.455 -11.033 13.175 56 HE1 HIS 9 HE1 HIS 9 -20.773 -10.091 15.040 57 HE2 HIS 9 HE2 HIS 9 -23.299 -9.953 15.231 58 H SER 10 HN SER 10 -22.393 -13.651 9.486 59 HA SER 10 HA SER 10 -19.930 -14.086 8.017 60 1HB SER 10 HB1 SER 10 -22.248 -15.948 8.596 61 2HB SER 10 HB2 SER 10 -20.727 -16.422 7.842 62 HG SER 10 HG SER 10 -20.995 -16.705 10.227 63 H SER 11 HN SER 11 -23.386 -13.839 7.376 64 HA SER 11 HA SER 11 -23.067 -14.430 4.565 65 1HB SER 11 HB1 SER 11 -25.529 -13.293 5.891 66 2HB SER 11 HB2 SER 11 -25.432 -14.254 4.416 67 HG SER 11 HG SER 11 -24.361 -15.769 6.196 68 H GLY 12 HN GLY 12 -21.639 -12.095 5.702 69 1HA GLY 12 HA1 GLY 12 -23.007 -9.772 4.653 70 2HA GLY 12 HA2 GLY 12 -21.403 -9.808 5.369 71 H LEU 13 HN LEU 13 -20.410 -8.599 3.783 72 HA LEU 13 HA LEU 13 -20.666 -9.252 1.000 73 1HB LEU 13 HB1 LEU 13 -19.517 -7.142 2.586 74 2HB LEU 13 HB2 LEU 13 -18.355 -7.690 1.393 75 HG LEU 13 HG LEU 13 -19.652 -5.804 0.553 76 1HD1 LEU 13 HD2 LEU 13 -19.261 -6.778 -1.403 77 2HD1 LEU 13 HD2 LEU 13 -20.878 -7.477 -1.306 78 3HD1 LEU 13 HD2 LEU 13 -19.487 -8.387 -0.716 79 1HD2 LEU 13 HD1 LEU 13 -21.792 -5.579 1.073 80 2HD2 LEU 13 HD1 LEU 13 -21.823 -7.201 1.766 81 3HD2 LEU 13 HD1 LEU 13 -22.170 -6.967 0.052 82 H VAL 14 HN VAL 14 -18.279 -9.235 -0.133 83 HA VAL 14 HA VAL 14 -17.283 -11.847 0.335 84 HB VAL 14 HB VAL 14 -15.517 -11.226 -1.327 85 1HG1 VAL 14 HG1 VAL 14 -16.975 -11.266 -3.182 86 2HG1 VAL 14 HG1 VAL 14 -18.257 -10.447 -2.290 87 3HG1 VAL 14 HG1 VAL 14 -17.826 -12.109 -1.888 88 1HG2 VAL 14 HG2 VAL 14 -16.180 -8.622 -0.559 89 2HG2 VAL 14 HG2 VAL 14 -16.760 -8.787 -2.216 90 3HG2 VAL 14 HG2 VAL 14 -15.068 -9.109 -1.837 91 HA PRO 15 HA PRO 15 -14.177 -11.343 3.430 92 1HB PRO 15 HB1 PRO 15 -12.381 -12.905 1.648 93 2HB PRO 15 HB2 PRO 15 -12.844 -13.209 3.325 94 1HG PRO 15 HG1 PRO 15 -13.867 -14.670 1.349 95 2HG PRO 15 HG2 PRO 15 -14.868 -14.175 2.727 96 1HD PRO 15 HD2 PRO 15 -14.780 -13.069 -0.051 97 2HD PRO 15 HD1 PRO 15 -16.176 -13.330 1.017 98 H ARG 16 HN ARG 16 -13.221 -10.864 0.062 99 HA ARG 16 HA ARG 16 -10.981 -9.181 0.840 100 1HB ARG 16 HB1 ARG 16 -11.995 -10.283 -1.760 101 2HB ARG 16 HB2 ARG 16 -10.851 -8.947 -1.758 102 1HG ARG 16 HG1 ARG 16 -9.130 -10.258 -1.179 103 2HG ARG 16 HG2 ARG 16 -10.097 -11.199 -0.041 104 1HD ARG 16 HD2 ARG 16 -10.692 -12.736 -1.600 105 2HD ARG 16 HD1 ARG 16 -10.693 -11.562 -2.915 106 HE ARG 16 HE ARG 16 -8.053 -11.977 -2.034 107 1HH1 ARG 16 HH2 ARG 16 -10.611 -13.603 -3.755 108 2HH1 ARG 16 HH2 ARG 16 -9.531 -14.581 -4.694 109 1HH2 ARG 16 HH1 ARG 16 -6.627 -13.260 -3.265 110 2HH2 ARG 16 HH1 ARG 16 -7.268 -14.385 -4.415 111 H GLY 17 HN GLY 17 -11.295 -7.506 -1.604 112 1HA GLY 17 HA1 GLY 17 -12.788 -5.386 -0.371 113 2HA GLY 17 HA2 GLY 17 -11.965 -5.319 -1.923 114 H SER 18 HN SER 18 -14.826 -4.788 -0.691 115 HA SER 18 HA SER 18 -16.590 -6.385 -2.234 116 1HB SER 18 HB1 SER 18 -18.014 -4.094 -1.712 117 2HB SER 18 HB2 SER 18 -17.873 -5.467 -0.614 118 HG SER 18 HG SER 18 -17.327 -3.340 0.274 119 H HIS 19 HN HIS 19 -16.317 -2.856 -2.531 120 HA HIS 19 HA HIS 19 -16.600 -3.166 -5.439 121 1HB HIS 19 HB2 HIS 19 -17.453 -1.077 -3.483 122 2HB HIS 19 HB1 HIS 19 -17.082 -0.568 -5.127 123 HD2 HIS 19 HD2 HIS 19 -18.574 -2.368 -7.055 124 HE1 HIS 19 HE1 HIS 19 -21.857 -2.343 -4.384 125 HE2 HIS 19 HE2 HIS 19 -21.108 -2.839 -6.755 126 H MET 20 HN MET 20 -15.774 -0.335 -5.817 127 HA MET 20 HA MET 20 -12.988 -0.825 -6.232 128 1HB MET 20 HB1 MET 20 -14.735 0.686 -7.548 129 2HB MET 20 HB2 MET 20 -14.131 1.921 -6.452 130 1HG MET 20 HG1 MET 20 -12.241 2.144 -7.591 131 2HG MET 20 HG2 MET 20 -11.983 0.402 -7.660 132 1HE MET 20 HE1 MET 20 -11.124 -0.081 -9.575 133 2HE MET 20 HE2 MET 20 -10.991 1.335 -10.619 134 3HE MET 20 HE3 MET 20 -11.892 -0.081 -11.164 135 H ALA 21 HN ALA 21 -14.657 0.016 -3.522 136 HA ALA 21 HA ALA 21 -12.763 1.940 -2.465 137 1HB ALA 21 HB1 ALA 21 -15.252 1.956 -1.990 138 2HB ALA 21 HB2 ALA 21 -14.185 2.120 -0.596 139 3HB ALA 21 HB3 ALA 21 -14.959 0.573 -0.936 140 H LYS 22 HN LYS 22 -11.295 -0.188 -3.107 141 HA LYS 22 HA LYS 22 -11.023 -1.929 -0.792 142 1HB LYS 22 HB1 LYS 22 -9.431 -1.879 -3.363 143 2HB LYS 22 HB2 LYS 22 -9.381 -3.136 -2.135 144 1HG LYS 22 HG1 LYS 22 -11.665 -3.747 -2.606 145 2HG LYS 22 HG2 LYS 22 -11.816 -2.412 -3.751 146 1HD LYS 22 HD2 LYS 22 -9.539 -4.119 -4.335 147 2HD LYS 22 HD1 LYS 22 -11.065 -5.007 -4.346 148 1HE LYS 22 HE1 LYS 22 -11.727 -4.046 -6.248 149 2HE LYS 22 HE2 LYS 22 -11.259 -2.439 -5.691 150 1HZ LYS 22 HZ1 LYS 22 -9.317 -2.548 -6.768 151 2HZ LYS 22 HZ2 LYS 22 -10.040 -3.783 -7.670 152 3HZ LYS 22 HZ3 LYS 22 -9.044 -4.167 -6.357 153 H TYR 23 HN TYR 23 -10.475 0.772 -0.248 154 HA TYR 23 HA TYR 23 -7.562 0.971 -0.158 155 1HB TYR 23 HB1 TYR 23 -8.175 3.243 0.957 156 2HB TYR 23 HB2 TYR 23 -8.423 3.040 -0.774 157 HD1 TYR 23 HD1 TYR 23 -10.431 3.734 -1.662 158 HD2 TYR 23 HD2 TYR 23 -10.294 2.597 2.435 159 HE1 TYR 23 HE1 TYR 23 -12.786 4.392 -1.407 160 HE2 TYR 23 HE2 TYR 23 -12.649 3.252 2.702 161 HH TYR 23 HH TYR 23 -14.630 4.144 -0.033 162 H GLN 24 HN GLN 24 -8.698 -1.083 1.388 163 HA GLN 24 HA GLN 24 -8.796 -0.176 4.135 164 1HB GLN 24 HB2 GLN 24 -9.868 -2.337 2.795 165 2HB GLN 24 HB1 GLN 24 -8.546 -3.061 3.700 166 1HG GLN 24 HG2 GLN 24 -9.719 -2.994 5.571 167 2HG GLN 24 HG1 GLN 24 -10.001 -1.264 5.387 168 1HE2 GLN 24 HE2 GLN 24 -11.086 -4.289 3.873 169 2HE2 GLN 24 HE2 GLN 24 -12.764 -3.875 3.852 170 H VAL 25 HN VAL 25 -6.600 0.771 3.964 171 HA VAL 25 HA VAL 25 -4.364 -1.058 3.869 172 HB VAL 25 HB VAL 25 -4.386 1.879 4.580 173 1HG1 VAL 25 HG2 VAL 25 -2.285 -0.149 4.413 174 2HG1 VAL 25 HG2 VAL 25 -2.285 1.423 5.211 175 3HG1 VAL 25 HG2 VAL 25 -1.949 1.310 3.484 176 1HG2 VAL 25 HG1 VAL 25 -4.944 0.661 2.116 177 2HG2 VAL 25 HG1 VAL 25 -3.295 1.273 1.996 178 3HG2 VAL 25 HG1 VAL 25 -4.612 2.365 2.426 179 H THR 26 HN THR 26 -3.013 -1.609 5.565 180 HA THR 26 HA THR 26 -4.216 -1.349 8.222 181 HB THR 26 HB THR 26 -1.917 -3.149 7.472 182 HG1 THR 26 HG1 THR 26 -3.717 -3.561 6.098 183 1HG2 THR 26 HG2 THR 26 -2.023 -3.579 9.651 184 2HG2 THR 26 HG2 THR 26 -3.482 -4.485 9.252 185 3HG2 THR 26 HG2 THR 26 -3.606 -2.821 9.821 186 H LYS 27 HN LYS 27 -0.899 -1.417 6.876 187 HA LYS 27 HA LYS 27 -0.191 0.639 8.867 188 1HB LYS 27 HB1 LYS 27 0.830 -1.715 9.100 189 2HB LYS 27 HB2 LYS 27 1.786 -1.296 7.685 190 1HG LYS 27 HG1 LYS 27 3.263 -0.374 9.047 191 2HG LYS 27 HG2 LYS 27 2.066 0.869 9.418 192 1HD LYS 27 HD2 LYS 27 1.172 -0.640 11.200 193 2HD LYS 27 HD1 LYS 27 2.541 -1.712 10.898 194 1HE LYS 27 HE1 LYS 27 2.817 1.194 11.640 195 2HE LYS 27 HE2 LYS 27 2.840 -0.123 12.813 196 1HZ LYS 27 HZ1 LYS 27 4.931 0.819 11.147 197 2HZ LYS 27 HZ2 LYS 27 4.651 -0.824 10.855 198 3HZ LYS 27 HZ3 LYS 27 5.001 -0.290 12.421 199 H THR 28 HN THR 28 1.530 2.115 8.241 200 HA THR 28 HA THR 28 1.742 2.485 5.328 201 HB THR 28 HB THR 28 1.433 4.710 7.353 202 HG1 THR 28 HG1 THR 28 -0.614 4.746 5.806 203 1HG2 THR 28 HG2 THR 28 2.623 5.405 5.346 204 2HG2 THR 28 HG2 THR 28 1.025 6.146 5.447 205 3HG2 THR 28 HG2 THR 28 1.302 4.793 4.349 206 H LEU 29 HN LEU 29 3.656 3.503 4.585 207 HA LEU 29 HA LEU 29 5.825 3.701 6.548 208 1HB LEU 29 HB1 LEU 29 5.863 1.536 5.262 209 2HB LEU 29 HB2 LEU 29 6.114 2.479 3.805 210 HG LEU 29 HG LEU 29 8.005 3.060 5.972 211 1HD1 LEU 29 HD1 LEU 29 9.040 0.743 4.740 212 2HD1 LEU 29 HD1 LEU 29 7.434 0.338 5.345 213 3HD1 LEU 29 HD1 LEU 29 8.651 0.991 6.441 214 1HD2 LEU 29 HD2 LEU 29 9.582 2.744 3.998 215 2HD2 LEU 29 HD2 LEU 29 8.427 4.074 3.904 216 3HD2 LEU 29 HD2 LEU 29 8.128 2.581 3.014 217 H ASP 30 HN ASP 30 6.739 5.630 6.486 218 HA ASP 30 HA ASP 30 6.739 7.120 3.944 219 1HB ASP 30 HB2 ASP 30 7.008 9.033 5.930 220 2HB ASP 30 HB1 ASP 30 5.532 8.671 5.040 221 H VAL 31 HN VAL 31 8.715 7.381 3.146 222 HA VAL 31 HA VAL 31 10.964 7.583 5.043 223 HB VAL 31 HB VAL 31 12.182 6.648 2.806 224 1HG1 VAL 31 HG2 VAL 31 12.829 5.638 4.747 225 2HG1 VAL 31 HG2 VAL 31 11.852 4.342 4.056 226 3HG1 VAL 31 HG2 VAL 31 11.173 5.391 5.301 227 1HG2 VAL 31 HG1 VAL 31 9.496 5.285 2.952 228 2HG2 VAL 31 HG1 VAL 31 10.874 4.718 2.008 229 3HG2 VAL 31 HG1 VAL 31 10.111 6.258 1.615 230 H ARG 32 HN ARG 32 9.263 9.581 3.445 231 HA ARG 32 HA ARG 32 11.051 10.748 1.553 232 1HB ARG 32 HB1 ARG 32 8.363 11.070 2.276 233 2HB ARG 32 HB2 ARG 32 9.119 12.619 2.623 234 1HG ARG 32 HG1 ARG 32 10.144 12.172 0.192 235 2HG ARG 32 HG2 ARG 32 8.625 11.286 0.040 236 1HD ARG 32 HD1 ARG 32 8.258 13.529 -0.708 237 2HD ARG 32 HD2 ARG 32 7.431 13.318 0.835 238 HE ARG 32 HE ARG 32 9.878 14.871 0.381 239 1HH1 ARG 32 HH1 ARG 32 7.259 13.885 2.457 240 2HH1 ARG 32 HH1 ARG 32 7.566 15.110 3.642 241 1HH2 ARG 32 HH2 ARG 32 10.291 16.487 1.937 242 2HH2 ARG 32 HH2 ARG 32 9.290 16.589 3.346 243 H GLY 33 HN GLY 33 11.806 10.409 4.570 244 1HA GLY 33 HA2 GLY 33 12.307 13.136 5.391 245 2HA GLY 33 HA1 GLY 33 12.790 11.680 6.247 246 H GLU 34 HN GLU 34 14.847 11.027 6.123 247 HA GLU 34 HA GLU 34 16.701 12.674 4.612 248 1HB GLU 34 HB2 GLU 34 18.435 11.597 5.916 249 2HB GLU 34 HB1 GLU 34 17.136 12.103 6.986 250 1HG GLU 34 HG2 GLU 34 16.311 9.626 6.542 251 2HG GLU 34 HG1 GLU 34 18.031 9.382 6.239 252 H VAL 35 HN VAL 35 18.770 10.764 4.259 253 HA VAL 35 HA VAL 35 17.620 9.140 2.096 254 HB VAL 35 HB VAL 35 20.273 9.305 1.473 255 1HG1 VAL 35 HG2 VAL 35 18.036 11.109 0.551 256 2HG1 VAL 35 HG2 VAL 35 18.398 9.500 -0.076 257 3HG1 VAL 35 HG2 VAL 35 19.547 10.817 -0.312 258 1HG2 VAL 35 HG1 VAL 35 19.471 11.678 3.022 259 2HG2 VAL 35 HG1 VAL 35 20.365 11.978 1.531 260 3HG2 VAL 35 HG1 VAL 35 21.066 10.962 2.791 261 H CYS 36 HN CYS 36 19.716 7.546 1.461 262 HA CYS 36 HA CYS 36 19.558 5.438 3.259 263 1HB CYS 36 HB1 CYS 36 21.452 6.115 1.029 264 2HB CYS 36 HB2 CYS 36 21.741 4.693 2.026 265 HG CYS 36 HG CYS 36 20.354 3.880 0.039 266 HA PRO 37 HA PRO 37 20.981 3.717 3.581 267 1HB PRO 37 HB2 PRO 37 22.041 2.184 5.483 268 2HB PRO 37 HB1 PRO 37 23.064 2.932 4.250 269 1HG PRO 37 HG1 PRO 37 22.665 3.690 7.103 270 2HG PRO 37 HG2 PRO 37 24.124 3.799 6.105 271 1HD PRO 37 HD2 PRO 37 22.316 5.889 6.687 272 2HD PRO 37 HD1 PRO 37 23.619 5.919 5.484 273 H VAL 38 HN VAL 38 19.654 5.668 5.640 274 HA VAL 38 HA VAL 38 18.451 4.099 7.637 275 HB VAL 38 HB VAL 38 17.378 6.625 6.377 276 1HG1 VAL 38 HG2 VAL 38 16.801 5.625 9.148 277 2HG1 VAL 38 HG2 VAL 38 15.809 5.148 7.770 278 3HG1 VAL 38 HG2 VAL 38 15.945 6.851 8.212 279 1HG2 VAL 38 HG1 VAL 38 19.226 6.172 8.714 280 2HG2 VAL 38 HG1 VAL 38 18.410 7.702 8.389 281 3HG2 VAL 38 HG1 VAL 38 19.566 7.054 7.224 282 HA PRO 39 HA PRO 39 14.641 3.610 4.731 283 1HB PRO 39 HB2 PRO 39 14.891 4.206 2.111 284 2HB PRO 39 HB1 PRO 39 14.437 5.416 3.317 285 1HG PRO 39 HG1 PRO 39 17.113 4.884 2.079 286 2HG PRO 39 HG2 PRO 39 16.311 6.437 2.383 287 1HD PRO 39 HD2 PRO 39 18.239 5.435 4.009 288 2HD PRO 39 HD1 PRO 39 16.916 6.459 4.603 289 H ASP 40 HN ASP 40 17.857 2.834 3.756 290 HA ASP 40 HA ASP 40 17.302 0.758 1.923 291 1HB ASP 40 HB1 ASP 40 19.519 1.836 2.147 292 2HB ASP 40 HB2 ASP 40 19.711 1.081 3.726 293 H VAL 41 HN VAL 41 18.299 0.557 5.346 294 HA VAL 41 HA VAL 41 17.681 -2.230 5.516 295 HB VAL 41 HB VAL 41 18.033 -0.369 7.857 296 1HG1 VAL 41 HG2 VAL 41 19.280 -2.803 8.332 297 2HG1 VAL 41 HG2 VAL 41 17.784 -3.229 7.502 298 3HG1 VAL 41 HG2 VAL 41 17.729 -2.268 8.979 299 1HG2 VAL 41 HG1 VAL 41 19.899 0.093 6.460 300 2HG2 VAL 41 HG1 VAL 41 20.135 -1.617 6.100 301 3HG2 VAL 41 HG1 VAL 41 20.460 -1.004 7.721 302 H GLU 42 HN GLU 42 15.928 0.712 6.029 303 HA GLU 42 HA GLU 42 13.912 -0.257 7.745 304 1HB GLU 42 HB1 GLU 42 14.338 2.145 7.328 305 2HB GLU 42 HB2 GLU 42 13.726 1.955 5.691 306 1HG GLU 42 HG2 GLU 42 11.532 1.512 6.468 307 2HG GLU 42 HG1 GLU 42 12.086 1.347 8.134 308 H THR 43 HN THR 43 14.005 0.077 4.202 309 HA THR 43 HA THR 43 11.434 -1.029 3.782 310 HB THR 43 HB THR 43 12.629 0.403 2.139 311 HG1 THR 43 HG1 THR 43 11.396 -1.983 1.566 312 1HG2 THR 43 HG2 THR 43 14.265 -0.532 0.640 313 2HG2 THR 43 HG2 THR 43 14.250 -2.053 1.535 314 3HG2 THR 43 HG2 THR 43 14.862 -0.586 2.300 315 H LYS 44 HN LYS 44 14.691 -2.427 3.715 316 HA LYS 44 HA LYS 44 14.064 -4.972 2.795 317 1HB LYS 44 HB1 LYS 44 16.225 -3.837 4.507 318 2HB LYS 44 HB2 LYS 44 16.058 -5.587 4.449 319 1HG LYS 44 HG1 LYS 44 16.033 -4.236 1.839 320 2HG LYS 44 HG2 LYS 44 17.552 -4.142 2.732 321 1HD LYS 44 HD1 LYS 44 16.525 -6.805 2.898 322 2HD LYS 44 HD2 LYS 44 16.559 -6.299 1.208 323 1HE LYS 44 HE1 LYS 44 18.881 -6.137 3.125 324 2HE LYS 44 HE2 LYS 44 18.653 -7.387 1.903 325 1HZ LYS 44 HZ1 LYS 44 19.960 -5.011 1.565 326 2HZ LYS 44 HZ2 LYS 44 18.476 -4.766 0.790 327 3HZ LYS 44 HZ3 LYS 44 19.463 -6.062 0.335 328 H ARG 45 HN ARG 45 13.974 -3.670 6.082 329 HA ARG 45 HA ARG 45 13.267 -6.058 7.392 330 1HB ARG 45 HB1 ARG 45 14.123 -3.994 8.490 331 2HB ARG 45 HB2 ARG 45 12.564 -3.236 8.198 332 1HG ARG 45 HG2 ARG 45 12.364 -5.811 9.552 333 2HG ARG 45 HG1 ARG 45 13.278 -4.600 10.458 334 1HD ARG 45 HD2 ARG 45 11.038 -3.264 9.434 335 2HD ARG 45 HD1 ARG 45 10.441 -4.810 10.037 336 HE ARG 45 HE ARG 45 12.092 -3.807 12.005 337 1HH1 ARG 45 HH2 ARG 45 9.168 -2.814 10.388 338 2HH1 ARG 45 HH2 ARG 45 8.562 -1.933 11.751 339 1HH2 ARG 45 HH1 ARG 45 11.301 -2.648 13.802 340 2HH2 ARG 45 HH1 ARG 45 9.774 -1.838 13.690 341 H ALA 46 HN ALA 46 11.415 -3.653 5.668 342 HA ALA 46 HA ALA 46 8.854 -4.251 6.620 343 1HB ALA 46 HB1 ALA 46 9.740 -2.357 5.029 344 2HB ALA 46 HB2 ALA 46 8.059 -2.887 4.966 345 3HB ALA 46 HB3 ALA 46 9.213 -3.476 3.771 346 H LEU 47 HN LEU 47 10.586 -5.550 3.786 347 HA LEU 47 HA LEU 47 8.554 -7.244 2.881 348 1HB LEU 47 HB2 LEU 47 11.549 -7.423 2.643 349 2HB LEU 47 HB1 LEU 47 10.475 -8.581 1.886 350 HG LEU 47 HG LEU 47 10.936 -7.114 0.156 351 1HD1 LEU 47 HD2 LEU 47 8.534 -5.715 1.278 352 2HD1 LEU 47 HD2 LEU 47 8.452 -7.370 0.679 353 3HD1 LEU 47 HD2 LEU 47 8.927 -6.063 -0.405 354 1HD2 LEU 47 HD1 LEU 47 10.979 -4.663 0.396 355 2HD2 LEU 47 HD1 LEU 47 12.183 -5.473 1.398 356 3HD2 LEU 47 HD1 LEU 47 10.703 -4.851 2.127 357 H GLN 48 HN GLN 48 11.156 -7.833 5.210 358 HA GLN 48 HA GLN 48 10.358 -10.567 5.635 359 1HB GLN 48 HB1 GLN 48 12.628 -8.944 6.238 360 2HB GLN 48 HB2 GLN 48 12.043 -9.653 7.738 361 1HG GLN 48 HG1 GLN 48 12.241 -11.865 6.840 362 2HG GLN 48 HG2 GLN 48 12.641 -11.227 5.246 363 1HE2 GLN 48 HE2 GLN 48 14.668 -10.266 4.916 364 2HE2 GLN 48 HE2 GLN 48 15.999 -10.583 5.971 365 H ASN 49 HN ASN 49 8.736 -7.955 6.397 366 HA ASN 49 HA ASN 49 7.776 -9.087 8.931 367 1HB ASN 49 HB2 ASN 49 9.063 -6.538 8.589 368 2HB ASN 49 HB1 ASN 49 7.391 -6.290 9.087 369 1HD2 ASN 49 HD2 ASN 49 7.730 -5.654 11.145 370 2HD2 ASN 49 HD2 ASN 49 8.449 -6.648 12.362 371 H MET 50 HN MET 50 6.758 -9.341 6.240 372 HA MET 50 HA MET 50 4.250 -7.814 6.434 373 1HB MET 50 HB2 MET 50 5.714 -8.995 4.097 374 2HB MET 50 HB1 MET 50 4.001 -8.611 4.001 375 1HG MET 50 HG2 MET 50 4.348 -6.355 4.127 376 2HG MET 50 HG1 MET 50 5.888 -6.529 4.965 377 1HE MET 50 HE1 MET 50 5.587 -4.438 2.309 378 2HE MET 50 HE2 MET 50 7.284 -4.755 1.946 379 3HE MET 50 HE3 MET 50 6.741 -4.667 3.622 380 H LYS 51 HN LYS 51 2.281 -8.844 6.362 381 HA LYS 51 HA LYS 51 2.355 -11.696 6.985 382 1HB LYS 51 HB1 LYS 51 -0.025 -9.847 7.148 383 2HB LYS 51 HB2 LYS 51 0.169 -11.415 7.919 384 1HG LYS 51 HG2 LYS 51 1.943 -10.494 9.335 385 2HG LYS 51 HG1 LYS 51 1.720 -8.917 8.572 386 1HD LYS 51 HD2 LYS 51 -0.420 -8.648 9.499 387 2HD LYS 51 HD1 LYS 51 -0.545 -10.358 9.918 388 1HE LYS 51 HE1 LYS 51 0.010 -9.622 11.974 389 2HE LYS 51 HE2 LYS 51 1.648 -9.687 11.327 390 1HZ LYS 51 HZ1 LYS 51 1.536 -7.356 10.815 391 2HZ LYS 51 HZ2 LYS 51 1.145 -7.578 12.446 392 3HZ LYS 51 HZ3 LYS 51 -0.077 -7.270 11.319 393 HA PRO 52 HA PRO 52 0.677 -13.545 3.382 394 1HB PRO 52 HB1 PRO 52 -1.907 -13.836 4.875 395 2HB PRO 52 HB2 PRO 52 -1.054 -15.016 3.872 396 1HG PRO 52 HG1 PRO 52 -0.889 -15.118 6.530 397 2HG PRO 52 HG2 PRO 52 0.521 -15.467 5.514 398 1HD PRO 52 HD2 PRO 52 -0.052 -13.101 7.202 399 2HD PRO 52 HD1 PRO 52 1.508 -13.779 6.696 400 H GLY 53 HN GLY 53 -2.260 -12.041 4.745 401 1HA GLY 53 HA1 GLY 53 -2.683 -10.744 2.137 402 2HA GLY 53 HA2 GLY 53 -3.945 -11.124 3.297 403 H GLU 54 HN GLU 54 -0.879 -9.297 3.366 404 HA GLU 54 HA GLU 54 -2.175 -7.274 5.019 405 1HB GLU 54 HB2 GLU 54 0.608 -8.068 4.455 406 2HB GLU 54 HB1 GLU 54 0.352 -6.338 4.656 407 1HG GLU 54 HG1 GLU 54 -0.479 -8.447 6.634 408 2HG GLU 54 HG2 GLU 54 0.979 -7.461 6.745 409 H ILE 55 HN ILE 55 -1.987 -5.014 4.560 410 HA ILE 55 HA ILE 55 -1.615 -4.307 1.735 411 HB ILE 55 HB ILE 55 -3.896 -3.196 3.362 412 1HG1 ILE 55 HG1 ILE 55 -5.097 -4.736 1.456 413 2HG1 ILE 55 HG1 ILE 55 -3.699 -5.728 1.861 414 1HG2 ILE 55 HG2 ILE 55 -2.804 -2.760 0.679 415 2HG2 ILE 55 HG2 ILE 55 -3.780 -1.701 1.697 416 3HG2 ILE 55 HG2 ILE 55 -4.556 -2.959 0.734 417 1HD1 ILE 55 HD1 ILE 55 -5.255 -4.635 4.119 418 2HD1 ILE 55 HD1 ILE 55 -4.464 -6.200 3.931 419 3HD1 ILE 55 HD1 ILE 55 -6.016 -5.897 3.150 420 H LEU 56 HN LEU 56 0.078 -2.932 1.814 421 HA LEU 56 HA LEU 56 0.137 -0.943 3.983 422 1HB LEU 56 HB2 LEU 56 2.376 -2.324 2.516 423 2HB LEU 56 HB1 LEU 56 2.631 -0.912 3.521 424 HG LEU 56 HG LEU 56 3.044 -2.372 5.160 425 1HD1 LEU 56 HD2 LEU 56 0.080 -2.852 4.994 426 2HD1 LEU 56 HD2 LEU 56 0.891 -1.577 5.905 427 3HD1 LEU 56 HD2 LEU 56 1.105 -3.266 6.369 428 1HD2 LEU 56 HD1 LEU 56 3.423 -4.411 4.370 429 2HD2 LEU 56 HD1 LEU 56 2.189 -4.231 3.123 430 3HD2 LEU 56 HD1 LEU 56 1.738 -4.780 4.737 431 H GLU 57 HN GLU 57 0.774 1.148 3.553 432 HA GLU 57 HA GLU 57 0.713 1.938 0.714 433 1HB GLU 57 HB2 GLU 57 -1.183 2.875 1.842 434 2HB GLU 57 HB1 GLU 57 -0.194 3.397 3.198 435 1HG GLU 57 HG2 GLU 57 1.012 4.902 1.555 436 2HG GLU 57 HG1 GLU 57 -0.295 4.536 0.426 437 H VAL 58 HN VAL 58 2.408 3.105 -0.087 438 HA VAL 58 HA VAL 58 4.487 3.916 1.841 439 HB VAL 58 HB VAL 58 5.209 3.008 -0.920 440 1HG1 VAL 58 HG2 VAL 58 6.685 2.955 1.710 441 2HG1 VAL 58 HG2 VAL 58 6.867 4.181 0.455 442 3HG1 VAL 58 HG2 VAL 58 7.343 2.513 0.134 443 1HG2 VAL 58 HG1 VAL 58 3.968 1.343 1.007 444 2HG2 VAL 58 HG1 VAL 58 5.674 0.902 0.933 445 3HG2 VAL 58 HG1 VAL 58 4.694 0.885 -0.533 446 H TRP 59 HN TRP 59 5.608 5.771 1.458 447 HA TRP 59 HA TRP 59 4.858 7.370 -0.893 448 1HB TRP 59 HB1 TRP 59 3.585 8.161 1.082 449 2HB TRP 59 HB2 TRP 59 5.102 8.424 1.937 450 HD1 TRP 59 HD1 TRP 59 4.803 9.452 -1.734 451 HE1 TRP 59 HE1 TRP 59 4.894 12.020 -1.879 452 HE3 TRP 59 HE3 TRP 59 4.579 10.558 3.253 453 HZ2 TRP 59 HZ2 TRP 59 4.874 14.222 -0.116 454 HZ3 TRP 59 HZ3 TRP 59 4.620 12.921 3.939 455 HH2 TRP 59 HH2 TRP 59 4.764 14.713 2.289 456 H ILE 60 HN ILE 60 6.689 7.498 -2.034 457 HA ILE 60 HA ILE 60 9.099 8.484 -0.707 458 HB ILE 60 HB ILE 60 9.777 6.434 -2.663 459 1HG1 ILE 60 HG1 ILE 60 9.361 4.652 -0.729 460 2HG1 ILE 60 HG1 ILE 60 8.026 5.734 -0.348 461 1HG2 ILE 60 HG2 ILE 60 11.652 6.548 -1.492 462 2HG2 ILE 60 HG2 ILE 60 10.820 5.974 -0.046 463 3HG2 ILE 60 HG2 ILE 60 10.879 7.700 -0.403 464 1HD1 ILE 60 HD1 ILE 60 6.870 5.185 -2.211 465 2HD1 ILE 60 HD1 ILE 60 7.784 3.689 -2.015 466 3HD1 ILE 60 HD1 ILE 60 8.324 4.909 -3.170 467 H ASP 61 HN ASP 61 10.860 8.287 -2.812 468 HA ASP 61 HA ASP 61 9.566 9.480 -5.137 469 1HB ASP 61 HB1 ASP 61 11.057 11.420 -5.137 470 2HB ASP 61 HB2 ASP 61 10.097 11.380 -3.662 471 H TYR 62 HN TYR 62 11.039 6.977 -4.523 472 HA TYR 62 HA TYR 62 13.422 7.335 -6.190 473 1HB TYR 62 HB2 TYR 62 12.761 5.573 -3.973 474 2HB TYR 62 HB1 TYR 62 13.419 4.691 -5.347 475 HD1 TYR 62 HD1 TYR 62 15.696 5.169 -6.156 476 HD2 TYR 62 HD2 TYR 62 14.132 7.062 -2.681 477 HE1 TYR 62 HE1 TYR 62 17.971 5.833 -5.501 478 HE2 TYR 62 HE2 TYR 62 16.403 7.732 -2.017 479 HH TYR 62 HH TYR 62 18.555 7.997 -2.822 480 HA PRO 63 HA PRO 63 10.468 5.643 -4.892 481 1HB PRO 63 HB2 PRO 63 8.470 3.919 -5.243 482 2HB PRO 63 HB1 PRO 63 8.429 5.512 -6.007 483 1HG PRO 63 HG2 PRO 63 8.977 2.848 -7.206 484 2HG PRO 63 HG1 PRO 63 8.216 4.274 -7.931 485 1HD PRO 63 HD1 PRO 63 10.924 3.442 -8.193 486 2HD PRO 63 HD2 PRO 63 10.199 4.948 -8.787 487 H MET 64 HN MET 64 9.966 3.963 -3.204 488 HA MET 64 HA MET 64 12.141 2.165 -2.942 489 1HB MET 64 HB2 MET 64 10.761 3.358 -1.109 490 2HB MET 64 HB1 MET 64 9.635 2.019 -1.286 491 1HG MET 64 HG2 MET 64 10.928 1.247 0.418 492 2HG MET 64 HG1 MET 64 11.793 0.571 -0.962 493 1HE MET 64 HE1 MET 64 13.344 2.703 2.394 494 2HE MET 64 HE2 MET 64 11.657 2.347 2.021 495 3HE MET 64 HE3 MET 64 12.321 3.945 1.675 496 H SER 65 HN SER 65 8.913 1.825 -4.165 497 HA SER 65 HA SER 65 8.538 -0.926 -3.852 498 1HB SER 65 HB2 SER 65 7.213 -0.476 -6.160 499 2HB SER 65 HB1 SER 65 6.586 -0.005 -4.581 500 HG SER 65 HG SER 65 7.150 1.557 -6.638 501 H LYS 66 HN LYS 66 10.739 0.762 -5.844 502 HA LYS 66 HA LYS 66 10.974 -0.980 -8.023 503 1HB LYS 66 HB1 LYS 66 13.065 0.056 -8.475 504 2HB LYS 66 HB2 LYS 66 12.037 1.302 -7.779 505 1HG LYS 66 HG1 LYS 66 13.162 1.177 -5.688 506 2HG LYS 66 HG2 LYS 66 14.043 -0.270 -6.183 507 1HD LYS 66 HD1 LYS 66 14.867 1.316 -8.123 508 2HD LYS 66 HD2 LYS 66 14.470 2.574 -6.949 509 1HE LYS 66 HE2 LYS 66 16.589 2.214 -6.263 510 2HE LYS 66 HE1 LYS 66 15.842 0.891 -5.368 511 1HZ LYS 66 HZ1 LYS 66 16.313 -0.372 -7.606 512 2HZ LYS 66 HZ2 LYS 66 17.503 -0.224 -6.414 513 3HZ LYS 66 HZ3 LYS 66 17.523 0.800 -7.759 514 H GLU 67 HN GLU 67 12.283 -1.130 -4.779 515 HA GLU 67 HA GLU 67 13.826 -3.525 -5.399 516 1HB GLU 67 HB2 GLU 67 13.604 -1.694 -3.044 517 2HB GLU 67 HB1 GLU 67 14.187 -3.334 -2.789 518 1HG GLU 67 HG1 GLU 67 15.722 -2.623 -4.872 519 2HG GLU 67 HG2 GLU 67 15.476 -1.046 -4.121 520 H ARG 68 HN ARG 68 10.791 -2.569 -4.106 521 HA ARG 68 HA ARG 68 10.166 -4.802 -2.527 522 1HB ARG 68 HB1 ARG 68 8.674 -2.614 -3.830 523 2HB ARG 68 HB2 ARG 68 7.740 -4.071 -3.519 524 1HG ARG 68 HG2 ARG 68 7.401 -2.786 -1.621 525 2HG ARG 68 HG1 ARG 68 8.667 -3.915 -1.129 526 1HD ARG 68 HD1 ARG 68 10.307 -2.290 -1.152 527 2HD ARG 68 HD2 ARG 68 9.416 -1.260 -2.272 528 HE ARG 68 HE ARG 68 8.432 -0.253 -0.480 529 1HH1 ARG 68 HH2 ARG 68 9.688 -3.339 0.539 530 2HH1 ARG 68 HH2 ARG 68 9.317 -3.083 2.211 531 1HH2 ARG 68 HH1 ARG 68 7.941 0.092 1.720 532 2HH2 ARG 68 HH1 ARG 68 8.324 -1.133 2.882 533 H ILE 69 HN ILE 69 9.568 -4.175 -5.986 534 HA ILE 69 HA ILE 69 8.132 -6.455 -6.595 535 HB ILE 69 HB ILE 69 10.143 -5.149 -8.421 536 1HG1 ILE 69 HG1 ILE 69 7.281 -4.468 -8.649 537 2HG1 ILE 69 HG1 ILE 69 8.069 -3.874 -7.191 538 1HG2 ILE 69 HG2 ILE 69 7.754 -6.110 -9.683 539 2HG2 ILE 69 HG2 ILE 69 8.525 -7.410 -8.774 540 3HG2 ILE 69 HG2 ILE 69 9.436 -6.533 -10.004 541 1HD1 ILE 69 HD1 ILE 69 9.515 -2.514 -8.374 542 2HD1 ILE 69 HD1 ILE 69 8.010 -2.381 -9.282 543 3HD1 ILE 69 HD1 ILE 69 9.305 -3.423 -9.871 544 HA PRO 70 HA PRO 70 12.409 -8.672 -7.772 545 1HB PRO 70 HB2 PRO 70 14.016 -7.338 -5.643 546 2HB PRO 70 HB1 PRO 70 14.517 -7.915 -7.236 547 1HG PRO 70 HG1 PRO 70 14.152 -5.319 -6.790 548 2HG PRO 70 HG2 PRO 70 13.653 -6.056 -8.324 549 1HD PRO 70 HD2 PRO 70 11.990 -5.187 -6.007 550 2HD PRO 70 HD1 PRO 70 11.622 -5.140 -7.741 551 H GLU 71 HN GLU 71 11.697 -7.615 -4.454 552 HA GLU 71 HA GLU 71 12.472 -10.054 -3.237 553 1HB GLU 71 HB2 GLU 71 11.996 -7.580 -2.324 554 2HB GLU 71 HB1 GLU 71 10.447 -8.313 -1.942 555 1HG GLU 71 HG2 GLU 71 13.086 -9.468 -1.106 556 2HG GLU 71 HG1 GLU 71 12.151 -8.356 -0.109 557 H THR 72 HN THR 72 9.224 -8.652 -3.753 558 HA THR 72 HA THR 72 7.787 -10.884 -2.911 559 HB THR 72 HB THR 72 6.387 -9.493 -5.022 560 HG1 THR 72 HG1 THR 72 7.574 -7.717 -4.770 561 1HG2 THR 72 HG2 THR 72 5.671 -8.727 -2.335 562 2HG2 THR 72 HG2 THR 72 5.809 -10.476 -2.512 563 3HG2 THR 72 HG2 THR 72 4.728 -9.565 -3.567 564 H VAL 73 HN VAL 73 9.236 -10.178 -6.025 565 HA VAL 73 HA VAL 73 7.833 -12.238 -7.423 566 HB VAL 73 HB VAL 73 8.908 -10.229 -8.514 567 1HG1 VAL 73 HG1 VAL 73 11.054 -9.982 -7.801 568 2HG1 VAL 73 HG1 VAL 73 11.358 -10.938 -9.251 569 3HG1 VAL 73 HG1 VAL 73 11.329 -11.718 -7.670 570 1HG2 VAL 73 HG2 VAL 73 8.345 -12.722 -9.476 571 2HG2 VAL 73 HG2 VAL 73 10.010 -12.485 -10.012 572 3HG2 VAL 73 HG2 VAL 73 8.764 -11.321 -10.463 573 H LYS 74 HN LYS 74 10.684 -12.096 -5.462 574 HA LYS 74 HA LYS 74 11.991 -14.436 -6.312 575 1HB LYS 74 HB2 LYS 74 12.229 -12.578 -4.171 576 2HB LYS 74 HB1 LYS 74 12.169 -14.185 -3.464 577 1HG LYS 74 HG1 LYS 74 14.369 -14.214 -3.839 578 2HG LYS 74 HG2 LYS 74 13.927 -14.551 -5.515 579 1HD LYS 74 HD2 LYS 74 13.890 -12.057 -5.886 580 2HD LYS 74 HD1 LYS 74 14.614 -11.889 -4.285 581 1HE LYS 74 HE1 LYS 74 16.138 -13.824 -5.629 582 2HE LYS 74 HE2 LYS 74 15.863 -12.527 -6.791 583 1HZ LYS 74 HZ1 LYS 74 17.884 -12.263 -5.385 584 2HZ LYS 74 HZ2 LYS 74 16.875 -12.067 -4.042 585 3HZ LYS 74 HZ3 LYS 74 16.815 -10.954 -5.314 586 H LYS 75 HN LYS 75 9.490 -13.866 -3.877 587 HA LYS 75 HA LYS 75 9.073 -16.728 -3.536 588 1HB LYS 75 HB2 LYS 75 7.207 -15.879 -1.965 589 2HB LYS 75 HB1 LYS 75 8.881 -15.649 -1.483 590 1HG LYS 75 HG2 LYS 75 7.899 -13.395 -3.003 591 2HG LYS 75 HG1 LYS 75 6.899 -13.721 -1.587 592 1HD LYS 75 HD2 LYS 75 9.727 -13.913 -0.982 593 2HD LYS 75 HD1 LYS 75 9.295 -12.330 -1.631 594 1HE LYS 75 HE2 LYS 75 8.171 -11.755 0.217 595 2HE LYS 75 HE1 LYS 75 7.391 -13.332 0.338 596 1HZ LYS 75 HZ1 LYS 75 8.770 -13.864 1.965 597 2HZ LYS 75 HZ2 LYS 75 9.488 -12.335 1.879 598 3HZ LYS 75 HZ3 LYS 75 10.112 -13.615 0.966 599 H LEU 76 HN LEU 76 6.704 -14.092 -3.993 600 HA LEU 76 HA LEU 76 5.163 -15.878 -5.737 601 1HB LEU 76 HB1 LEU 76 3.479 -13.853 -5.445 602 2HB LEU 76 HB2 LEU 76 3.607 -15.129 -4.247 603 HG LEU 76 HG LEU 76 5.412 -12.852 -3.795 604 1HD1 LEU 76 HD2 LEU 76 2.647 -12.365 -4.418 605 2HD1 LEU 76 HD2 LEU 76 3.936 -11.218 -4.056 606 3HD1 LEU 76 HD2 LEU 76 2.998 -11.934 -2.745 607 1HD2 LEU 76 HD1 LEU 76 3.578 -13.473 -1.679 608 2HD2 LEU 76 HD1 LEU 76 5.327 -13.690 -1.742 609 3HD2 LEU 76 HD1 LEU 76 4.258 -14.957 -2.345 610 H GLY 77 HN GLY 77 4.592 -12.501 -5.939 611 1HA GLY 77 HA2 GLY 77 6.268 -12.190 -8.311 612 2HA GLY 77 HA1 GLY 77 4.531 -12.009 -8.517 613 H HIS 78 HN HIS 78 3.456 -10.293 -7.399 614 HA HIS 78 HA HIS 78 5.107 -8.261 -6.156 615 1HB HIS 78 HB1 HIS 78 3.648 -6.659 -7.846 616 2HB HIS 78 HB2 HIS 78 5.345 -7.077 -8.058 617 HD2 HIS 78 HD2 HIS 78 5.921 -8.418 -10.326 618 HE1 HIS 78 HE1 HIS 78 1.931 -9.323 -11.409 619 HE2 HIS 78 HE2 HIS 78 4.359 -9.427 -12.136 620 H GLU 79 HN GLU 79 3.856 -6.611 -5.062 621 HA GLU 79 HA GLU 79 1.146 -7.518 -4.416 622 1HB GLU 79 HB1 GLU 79 2.046 -5.479 -2.639 623 2HB GLU 79 HB2 GLU 79 1.715 -7.167 -2.279 624 1HG GLU 79 HG1 GLU 79 4.137 -7.460 -3.328 625 2HG GLU 79 HG2 GLU 79 4.291 -5.795 -2.767 626 H VAL 80 HN VAL 80 0.697 -6.479 -6.579 627 HA VAL 80 HA VAL 80 0.696 -3.563 -6.509 628 HB VAL 80 HB VAL 80 -0.379 -4.892 -8.901 629 1HG1 VAL 80 HG1 VAL 80 0.660 -2.427 -8.242 630 2HG1 VAL 80 HG1 VAL 80 0.340 -3.018 -9.873 631 3HG1 VAL 80 HG1 VAL 80 1.953 -3.178 -9.176 632 1HG2 VAL 80 HG2 VAL 80 2.561 -5.182 -8.300 633 2HG2 VAL 80 HG2 VAL 80 1.684 -5.775 -9.711 634 3HG2 VAL 80 HG2 VAL 80 1.392 -6.491 -8.126 635 H LEU 81 HN LEU 81 -1.024 -2.457 -5.956 636 HA LEU 81 HA LEU 81 -3.675 -3.464 -6.630 637 1HB LEU 81 HB1 LEU 81 -4.561 -2.844 -4.423 638 2HB LEU 81 HB2 LEU 81 -3.391 -4.146 -4.330 639 HG LEU 81 HG LEU 81 -2.655 -1.274 -3.784 640 1HD1 LEU 81 HD2 LEU 81 -3.482 -1.356 -1.722 641 2HD1 LEU 81 HD2 LEU 81 -2.875 -2.993 -1.458 642 3HD1 LEU 81 HD2 LEU 81 -4.429 -2.744 -2.258 643 1HD2 LEU 81 HD1 LEU 81 -1.368 -3.941 -3.303 644 2HD2 LEU 81 HD1 LEU 81 -0.861 -2.472 -2.467 645 3HD2 LEU 81 HD1 LEU 81 -0.749 -2.570 -4.224 646 H GLU 82 HN GLU 82 -1.606 -0.791 -5.657 647 HA GLU 82 HA GLU 82 -3.216 0.964 -7.306 648 1HB GLU 82 HB1 GLU 82 -4.436 1.279 -5.334 649 2HB GLU 82 HB2 GLU 82 -2.982 1.356 -4.364 650 1HG GLU 82 HG1 GLU 82 -3.010 3.557 -4.516 651 2HG GLU 82 HG2 GLU 82 -2.802 3.423 -6.262 652 H ILE 83 HN ILE 83 -2.165 2.706 -8.101 653 HA ILE 83 HA ILE 83 0.495 3.380 -7.110 654 HB ILE 83 HB ILE 83 0.018 2.689 -10.014 655 1HG1 ILE 83 HG1 ILE 83 2.054 1.076 -9.105 656 2HG1 ILE 83 HG1 ILE 83 0.961 1.111 -7.724 657 1HG2 ILE 83 HG2 ILE 83 1.627 4.563 -9.474 658 2HG2 ILE 83 HG2 ILE 83 2.283 3.220 -10.409 659 3HG2 ILE 83 HG2 ILE 83 2.633 3.347 -8.686 660 1HD1 ILE 83 HD1 ILE 83 -0.500 0.700 -10.165 661 2HD1 ILE 83 HD1 ILE 83 -0.429 -0.294 -8.711 662 3HD1 ILE 83 HD1 ILE 83 0.779 -0.501 -9.979 663 H GLU 84 HN GLU 84 0.923 5.537 -7.291 664 HA GLU 84 HA GLU 84 -0.450 7.187 -9.218 665 1HB GLU 84 HB1 GLU 84 -1.496 8.653 -7.522 666 2HB GLU 84 HB2 GLU 84 -2.183 7.035 -7.532 667 1HG GLU 84 HG2 GLU 84 -1.486 6.580 -5.449 668 2HG GLU 84 HG1 GLU 84 0.043 7.434 -5.660 669 H GLU 85 HN GLU 85 -0.003 9.614 -8.543 670 HA GLU 85 HA GLU 85 2.748 9.832 -7.531 671 1HB GLU 85 HB1 GLU 85 3.168 11.534 -9.345 672 2HB GLU 85 HB2 GLU 85 3.022 9.872 -9.900 673 1HG GLU 85 HG2 GLU 85 0.985 10.244 -10.907 674 2HG GLU 85 HG1 GLU 85 0.625 11.644 -9.899 675 H VAL 86 HN VAL 86 3.336 12.060 -6.918 676 HA VAL 86 HA VAL 86 0.970 13.590 -6.047 677 HB VAL 86 HB VAL 86 3.542 13.727 -4.529 678 1HG1 VAL 86 HG1 VAL 86 0.730 13.802 -3.481 679 2HG1 VAL 86 HG1 VAL 86 1.502 15.229 -4.174 680 3HG1 VAL 86 HG1 VAL 86 2.199 14.451 -2.752 681 1HG2 VAL 86 HG2 VAL 86 1.630 11.815 -3.436 682 2HG2 VAL 86 HG2 VAL 86 3.384 11.708 -3.583 683 3HG2 VAL 86 HG2 VAL 86 2.357 11.288 -4.954 684 H GLY 87 HN GLY 87 4.503 14.053 -6.347 685 1HA GLY 87 HA1 GLY 87 3.925 16.624 -7.686 686 2HA GLY 87 HA2 GLY 87 5.202 16.455 -6.490 687 HA PRO 88 HA PRO 88 7.381 16.232 -10.524 688 1HB PRO 88 HB1 PRO 88 9.655 16.593 -8.649 689 2HB PRO 88 HB2 PRO 88 9.289 17.443 -10.153 690 1HG PRO 88 HG2 PRO 88 8.911 18.620 -7.790 691 2HG PRO 88 HG1 PRO 88 7.776 18.872 -9.129 692 1HD PRO 88 HD2 PRO 88 7.496 17.151 -6.703 693 2HD PRO 88 HD1 PRO 88 6.275 18.131 -7.538 694 H SER 89 HN SER 89 9.640 15.159 -8.054 695 HA SER 89 HA SER 89 9.761 12.556 -9.368 696 1HB SER 89 HB2 SER 89 11.740 12.604 -7.415 697 2HB SER 89 HB1 SER 89 11.962 12.957 -9.129 698 HG SER 89 HG SER 89 11.595 14.746 -6.982 699 H GLU 90 HN GLU 90 8.144 13.882 -6.858 700 HA GLU 90 HA GLU 90 8.347 11.574 -5.079 701 1HB GLU 90 HB2 GLU 90 6.668 12.968 -3.711 702 2HB GLU 90 HB1 GLU 90 8.321 13.555 -3.832 703 1HG GLU 90 HG1 GLU 90 7.681 15.164 -5.500 704 2HG GLU 90 HG2 GLU 90 6.043 14.513 -5.549 705 H TRP 91 HN TRP 91 6.816 10.031 -4.899 706 HA TRP 91 HA TRP 91 4.186 10.462 -6.078 707 1HB TRP 91 HB2 TRP 91 4.651 7.970 -7.046 708 2HB TRP 91 HB1 TRP 91 4.854 9.442 -7.989 709 HD1 TRP 91 HD1 TRP 91 7.112 7.322 -5.628 710 HE1 TRP 91 HE1 TRP 91 9.454 7.204 -6.688 711 HE3 TRP 91 HE3 TRP 91 6.272 10.194 -9.775 712 HZ2 TRP 91 HZ2 TRP 91 10.771 8.196 -8.979 713 HZ3 TRP 91 HZ3 TRP 91 8.126 10.560 -11.351 714 HH2 TRP 91 HH2 TRP 91 10.329 9.582 -10.959 715 H LYS 92 HN LYS 92 2.756 8.502 -5.689 716 HA LYS 92 HA LYS 92 3.424 7.297 -3.084 717 1HB LYS 92 HB1 LYS 92 0.952 8.658 -4.035 718 2HB LYS 92 HB2 LYS 92 0.752 7.259 -2.988 719 1HG LYS 92 HG1 LYS 92 2.309 8.376 -1.367 720 2HG LYS 92 HG2 LYS 92 2.202 9.819 -2.378 721 1HD LYS 92 HD2 LYS 92 -0.180 9.945 -2.028 722 2HD LYS 92 HD1 LYS 92 -0.164 8.421 -1.138 723 1HE LYS 92 HE2 LYS 92 0.869 9.359 0.709 724 2HE LYS 92 HE1 LYS 92 1.527 10.707 -0.218 725 1HZ LYS 92 HZ1 LYS 92 -0.237 11.520 1.131 726 2HZ LYS 92 HZ2 LYS 92 -1.297 10.313 0.601 727 3HZ LYS 92 HZ3 LYS 92 -0.789 11.521 -0.469 728 H ILE 93 HN ILE 93 3.386 5.148 -3.018 729 HA ILE 93 HA ILE 93 1.960 3.712 -5.161 730 HB ILE 93 HB ILE 93 4.567 2.845 -3.908 731 1HG1 ILE 93 HG1 ILE 93 5.250 3.310 -6.448 732 2HG1 ILE 93 HG1 ILE 93 3.953 4.495 -6.313 733 1HG2 ILE 93 HG2 ILE 93 2.966 1.100 -4.803 734 2HG2 ILE 93 HG2 ILE 93 4.596 1.089 -5.479 735 3HG2 ILE 93 HG2 ILE 93 3.264 1.787 -6.401 736 1HD1 ILE 93 HD1 ILE 93 5.240 5.162 -4.125 737 2HD1 ILE 93 HD1 ILE 93 5.738 5.766 -5.706 738 3HD1 ILE 93 HD1 ILE 93 6.595 4.412 -4.968 739 H TYR 94 HN TYR 94 0.939 1.803 -4.610 740 HA TYR 94 HA TYR 94 0.795 1.224 -1.726 741 1HB TYR 94 HB1 TYR 94 -1.380 1.097 -3.821 742 2HB TYR 94 HB2 TYR 94 -1.536 0.369 -2.229 743 HD1 TYR 94 HD1 TYR 94 -0.587 3.668 -3.723 744 HD2 TYR 94 HD2 TYR 94 -2.622 1.597 -0.612 745 HE1 TYR 94 HE1 TYR 94 -1.373 5.814 -2.817 746 HE2 TYR 94 HE2 TYR 94 -3.413 3.739 0.303 747 HH TYR 94 HH TYR 94 -3.691 5.966 -0.196 748 H ILE 95 HN ILE 95 1.326 -0.734 -1.110 749 HA ILE 95 HA ILE 95 1.431 -2.897 -3.107 750 HB ILE 95 HB ILE 95 3.565 -1.780 -1.587 751 1HG1 ILE 95 HG1 ILE 95 4.853 -3.618 -2.798 752 2HG1 ILE 95 HG1 ILE 95 3.302 -4.142 -3.445 753 1HG2 ILE 95 HG2 ILE 95 2.789 -3.353 0.197 754 2HG2 ILE 95 HG2 ILE 95 4.445 -3.612 -0.351 755 3HG2 ILE 95 HG2 ILE 95 3.156 -4.682 -0.904 756 1HD1 ILE 95 HD1 ILE 95 3.162 -1.591 -4.142 757 2HD1 ILE 95 HD1 ILE 95 3.966 -2.804 -5.139 758 3HD1 ILE 95 HD1 ILE 95 4.918 -1.753 -4.089 759 H LYS 96 HN LYS 96 0.722 -4.935 -2.429 760 HA LYS 96 HA LYS 96 -0.265 -5.151 0.319 761 1HB LYS 96 HB2 LYS 96 -2.245 -4.353 -0.530 762 2HB LYS 96 HB1 LYS 96 -1.968 -5.042 -2.123 763 1HG LYS 96 HG1 LYS 96 -2.213 -7.212 -0.351 764 2HG LYS 96 HG2 LYS 96 -3.500 -6.074 0.055 765 1HD LYS 96 HD1 LYS 96 -3.113 -6.486 -2.821 766 2HD LYS 96 HD2 LYS 96 -3.622 -7.930 -1.941 767 1HE LYS 96 HE2 LYS 96 -5.044 -5.403 -1.336 768 2HE LYS 96 HE1 LYS 96 -5.352 -6.144 -2.906 769 1HZ LYS 96 HZ1 LYS 96 -5.448 -8.168 -0.999 770 2HZ LYS 96 HZ2 LYS 96 -6.728 -7.539 -1.907 771 3HZ LYS 96 HZ3 LYS 96 -6.365 -6.883 -0.390 772 H VAL 97 HN VAL 97 0.663 -6.944 1.023 773 HA VAL 97 HA VAL 97 1.548 -9.084 -0.574 774 HB VAL 97 HB VAL 97 0.805 -9.419 2.319 775 1HG1 VAL 97 HG2 VAL 97 2.338 -11.118 2.357 776 2HG1 VAL 97 HG2 VAL 97 3.318 -10.412 1.071 777 3HG1 VAL 97 HG2 VAL 97 1.803 -11.225 0.680 778 1HG2 VAL 97 HG1 VAL 97 2.383 -8.024 3.077 779 2HG2 VAL 97 HG1 VAL 97 2.278 -7.275 1.483 780 3HG2 VAL 97 HG1 VAL 97 3.526 -8.477 1.812 781 H LYS 98 HN LYS 98 0.370 -10.538 -1.626 782 HA LYS 98 HA LYS 98 -2.432 -10.892 -1.032 783 1HB LYS 98 HB1 LYS 98 -1.014 -10.982 -3.341 784 2HB LYS 98 HB2 LYS 98 -1.127 -12.698 -2.976 785 1HG LYS 98 HG1 LYS 98 -2.981 -12.307 -4.309 786 2HG LYS 98 HG2 LYS 98 -3.642 -12.254 -2.673 787 1HD LYS 98 HD1 LYS 98 -2.774 -9.641 -3.302 788 2HD LYS 98 HD2 LYS 98 -3.683 -10.235 -4.695 789 1HE LYS 98 HE1 LYS 98 -5.074 -10.991 -2.335 790 2HE LYS 98 HE2 LYS 98 -4.671 -9.279 -2.211 791 1HZ LYS 98 HZ1 LYS 98 -6.843 -9.952 -3.364 792 2HZ LYS 98 HZ2 LYS 98 -5.863 -10.360 -4.682 793 3HZ LYS 98 HZ3 LYS 98 -5.881 -8.772 -4.098 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -3.166 12.158 14.689 2 2H GLY 1 HT2 GLY 1 -3.471 13.672 13.999 3 3H GLY 1 HT3 GLY 1 -3.207 13.539 15.664 4 1HA GLY 1 HA1 GLY 1 -1.209 14.377 14.794 5 2HA GLY 1 HA2 GLY 1 -0.929 12.678 15.147 6 H SER 2 HN SER 2 -2.752 12.121 12.727 7 HA SER 2 HA SER 2 -0.733 12.661 10.650 8 1HB SER 2 HB1 SER 2 -0.432 10.378 10.982 9 2HB SER 2 HB2 SER 2 -2.131 10.108 11.372 10 HG SER 2 HG SER 2 -1.903 9.329 9.350 11 H SER 3 HN SER 3 -1.589 14.060 9.262 12 HA SER 3 HA SER 3 -4.414 14.330 8.883 13 1HB SER 3 HB2 SER 3 -1.970 15.674 7.811 14 2HB SER 3 HB1 SER 3 -3.480 15.852 6.915 15 HG SER 3 HG SER 3 -4.374 16.900 8.586 16 H HIS 4 HN HIS 4 -5.476 12.765 7.846 17 HA HIS 4 HA HIS 4 -4.271 11.546 5.468 18 1HB HIS 4 HB1 HIS 4 -5.998 10.592 7.591 19 2HB HIS 4 HB2 HIS 4 -6.699 10.260 6.011 20 HD2 HIS 4 HD2 HIS 4 -2.867 10.068 6.085 21 HE1 HIS 4 HE1 HIS 4 -4.385 6.122 6.297 22 HE2 HIS 4 HE2 HIS 4 -2.304 7.537 5.983 23 H HIS 5 HN HIS 5 -7.030 13.400 6.566 24 HA HIS 5 HA HIS 5 -7.743 13.895 3.760 25 1HB HIS 5 HB1 HIS 5 -9.672 13.297 6.015 26 2HB HIS 5 HB2 HIS 5 -10.152 13.904 4.432 27 HD2 HIS 5 HD2 HIS 5 -10.152 12.063 2.375 28 HE1 HIS 5 HE1 HIS 5 -9.163 8.754 4.823 29 HE2 HIS 5 HE2 HIS 5 -9.937 9.481 2.520 30 H HIS 6 HN HIS 6 -9.633 15.734 3.929 31 HA HIS 6 HA HIS 6 -8.245 18.051 4.833 32 1HB HIS 6 HB1 HIS 6 -11.022 17.627 3.723 33 2HB HIS 6 HB2 HIS 6 -10.409 19.215 4.172 34 HD2 HIS 6 HD2 HIS 6 -11.144 18.544 1.059 35 HE1 HIS 6 HE1 HIS 6 -6.938 18.538 0.577 36 HE2 HIS 6 HE2 HIS 6 -9.169 18.700 -0.618 37 H HIS 7 HN HIS 7 -11.477 16.832 5.731 38 HA HIS 7 HA HIS 7 -11.345 18.310 8.232 39 1HB HIS 7 HB2 HIS 7 -13.486 16.894 6.703 40 2HB HIS 7 HB1 HIS 7 -13.703 17.114 8.437 41 HD2 HIS 7 HD2 HIS 7 -15.515 19.103 8.508 42 HE1 HIS 7 HE1 HIS 7 -13.459 21.764 5.938 43 HE2 HIS 7 HE2 HIS 7 -15.460 21.480 7.469 44 H HIS 8 HN HIS 8 -12.783 16.758 9.949 45 HA HIS 8 HA HIS 8 -10.834 14.702 10.627 46 1HB HIS 8 HB2 HIS 8 -12.055 14.634 12.805 47 2HB HIS 8 HB1 HIS 8 -11.418 16.226 12.406 48 HD2 HIS 8 HD2 HIS 8 -14.627 14.645 13.539 49 HE1 HIS 8 HE1 HIS 8 -15.663 18.377 11.832 50 HE2 HIS 8 HE2 HIS 8 -16.484 16.431 13.236 51 H HIS 9 HN HIS 9 -12.330 12.960 12.124 52 HA HIS 9 HA HIS 9 -13.726 11.492 10.029 53 1HB HIS 9 HB2 HIS 9 -12.501 10.774 12.663 54 2HB HIS 9 HB1 HIS 9 -13.749 9.727 11.992 55 HD2 HIS 9 HD2 HIS 9 -12.366 7.647 11.018 56 HE1 HIS 9 HE1 HIS 9 -9.448 9.884 8.920 57 HE2 HIS 9 HE2 HIS 9 -10.332 7.557 9.410 58 H SER 10 HN SER 10 -15.488 13.165 10.195 59 HA SER 10 HA SER 10 -17.183 13.131 12.505 60 1HB SER 10 HB1 SER 10 -17.276 15.141 11.286 61 2HB SER 10 HB2 SER 10 -17.419 14.303 9.741 62 HG SER 10 HG SER 10 -19.460 14.802 10.072 63 H SER 11 HN SER 11 -17.808 12.127 9.136 64 HA SER 11 HA SER 11 -19.971 10.415 10.021 65 1HB SER 11 HB1 SER 11 -19.676 9.906 7.342 66 2HB SER 11 HB2 SER 11 -20.684 11.185 8.017 67 HG SER 11 HG SER 11 -18.460 11.393 6.517 68 H GLY 12 HN GLY 12 -17.186 9.759 10.804 69 1HA GLY 12 HA2 GLY 12 -16.238 7.580 9.262 70 2HA GLY 12 HA1 GLY 12 -15.791 7.938 10.924 71 H LEU 13 HN LEU 13 -16.706 5.468 9.266 72 HA LEU 13 HA LEU 13 -19.055 4.585 10.670 73 1HB LEU 13 HB1 LEU 13 -17.214 3.422 8.632 74 2HB LEU 13 HB2 LEU 13 -18.235 2.334 9.553 75 HG LEU 13 HG LEU 13 -19.442 4.690 8.149 76 1HD1 LEU 13 HD1 LEU 13 -19.506 3.677 6.101 77 2HD1 LEU 13 HD1 LEU 13 -19.309 2.058 6.771 78 3HD1 LEU 13 HD1 LEU 13 -17.922 3.142 6.663 79 1HD2 LEU 13 HD2 LEU 13 -20.450 1.953 8.908 80 2HD2 LEU 13 HD2 LEU 13 -21.384 3.181 8.053 81 3HD2 LEU 13 HD2 LEU 13 -20.840 3.477 9.704 82 H VAL 14 HN VAL 14 -19.108 3.694 12.612 83 HA VAL 14 HA VAL 14 -16.719 3.124 14.066 84 HB VAL 14 HB VAL 14 -19.569 2.491 14.833 85 1HG1 VAL 14 HG1 VAL 14 -16.962 2.298 16.235 86 2HG1 VAL 14 HG1 VAL 14 -18.406 1.294 16.379 87 3HG1 VAL 14 HG1 VAL 14 -18.348 2.874 17.162 88 1HG2 VAL 14 HG2 VAL 14 -18.828 4.658 16.309 89 2HG2 VAL 14 HG2 VAL 14 -19.791 4.723 14.833 90 3HG2 VAL 14 HG2 VAL 14 -18.049 4.994 14.763 91 HA PRO 15 HA PRO 15 -18.380 -1.484 13.758 92 1HB PRO 15 HB2 PRO 15 -19.737 -1.974 11.415 93 2HB PRO 15 HB1 PRO 15 -20.510 -1.689 12.977 94 1HG PRO 15 HG2 PRO 15 -20.033 0.218 10.721 95 2HG PRO 15 HG1 PRO 15 -21.472 0.027 11.741 96 1HD PRO 15 HD2 PRO 15 -19.728 2.016 12.153 97 2HD PRO 15 HD1 PRO 15 -20.521 1.191 13.512 98 H ARG 16 HN ARG 16 -17.476 -3.220 12.470 99 HA ARG 16 HA ARG 16 -15.050 -2.539 11.251 100 1HB ARG 16 HB1 ARG 16 -16.568 -5.135 10.946 101 2HB ARG 16 HB2 ARG 16 -14.844 -4.895 10.706 102 1HG ARG 16 HG1 ARG 16 -14.889 -4.098 13.184 103 2HG ARG 16 HG2 ARG 16 -16.406 -4.997 13.242 104 1HD ARG 16 HD2 ARG 16 -15.364 -7.027 12.776 105 2HD ARG 16 HD1 ARG 16 -13.921 -6.245 12.131 106 HE ARG 16 HE ARG 16 -14.620 -6.263 14.996 107 1HH1 ARG 16 HH2 ARG 16 -12.298 -6.419 12.403 108 2HH1 ARG 16 HH2 ARG 16 -10.935 -6.582 13.461 109 1HH2 ARG 16 HH1 ARG 16 -12.834 -6.478 16.396 110 2HH2 ARG 16 HH1 ARG 16 -11.241 -6.615 15.731 111 H GLY 17 HN GLY 17 -17.795 -4.170 9.648 112 1HA GLY 17 HA2 GLY 17 -16.881 -3.791 7.040 113 2HA GLY 17 HA1 GLY 17 -18.556 -4.071 7.486 114 H SER 18 HN SER 18 -16.186 -1.735 6.569 115 HA SER 18 HA SER 18 -17.880 0.550 7.025 116 1HB SER 18 HB2 SER 18 -15.911 1.444 5.341 117 2HB SER 18 HB1 SER 18 -15.778 1.387 7.099 118 HG SER 18 HG SER 18 -14.013 0.359 6.061 119 H HIS 19 HN HIS 19 -16.259 -0.264 3.975 120 HA HIS 19 HA HIS 19 -18.848 -0.031 2.599 121 1HB HIS 19 HB2 HIS 19 -16.661 1.793 2.437 122 2HB HIS 19 HB1 HIS 19 -16.802 0.969 0.887 123 HD2 HIS 19 HD2 HIS 19 -18.195 3.968 2.580 124 HE1 HIS 19 HE1 HIS 19 -21.116 2.782 -0.245 125 HE2 HIS 19 HE2 HIS 19 -20.354 4.638 1.306 126 H MET 20 HN MET 20 -15.709 -0.335 1.053 127 HA MET 20 HA MET 20 -16.529 -2.617 -0.422 128 1HB MET 20 HB1 MET 20 -13.819 -1.327 -0.062 129 2HB MET 20 HB2 MET 20 -14.130 -2.651 -1.176 130 1HG MET 20 HG2 MET 20 -15.746 -1.261 -2.373 131 2HG MET 20 HG1 MET 20 -15.418 0.068 -1.263 132 1HE MET 20 HE1 MET 20 -12.245 -0.105 -0.859 133 2HE MET 20 HE2 MET 20 -13.190 1.363 -1.109 134 3HE MET 20 HE3 MET 20 -11.765 1.051 -2.101 135 H ALA 21 HN ALA 21 -14.093 -4.125 -0.397 136 HA ALA 21 HA ALA 21 -14.710 -6.041 1.557 137 1HB ALA 21 HB1 ALA 21 -12.326 -5.638 -0.220 138 2HB ALA 21 HB2 ALA 21 -13.618 -6.831 -0.356 139 3HB ALA 21 HB3 ALA 21 -12.416 -6.975 0.927 140 H LYS 22 HN LYS 22 -12.603 -6.918 2.865 141 HA LYS 22 HA LYS 22 -12.140 -4.847 4.850 142 1HB LYS 22 HB1 LYS 22 -11.280 -7.739 4.964 143 2HB LYS 22 HB2 LYS 22 -11.438 -6.616 6.308 144 1HG LYS 22 HG1 LYS 22 -13.900 -6.513 5.784 145 2HG LYS 22 HG2 LYS 22 -13.632 -7.862 4.678 146 1HD LYS 22 HD2 LYS 22 -12.408 -8.791 6.905 147 2HD LYS 22 HD1 LYS 22 -13.685 -7.807 7.622 148 1HE LYS 22 HE2 LYS 22 -15.301 -9.002 6.105 149 2HE LYS 22 HE1 LYS 22 -13.983 -10.099 5.693 150 1HZ LYS 22 HZ1 LYS 22 -14.802 -9.634 8.496 151 2HZ LYS 22 HZ2 LYS 22 -13.893 -10.914 7.866 152 3HZ LYS 22 HZ3 LYS 22 -15.548 -10.809 7.536 153 H TYR 23 HN TYR 23 -10.762 -3.933 2.881 154 HA TYR 23 HA TYR 23 -8.014 -4.947 3.079 155 1HB TYR 23 HB2 TYR 23 -9.505 -3.375 1.019 156 2HB TYR 23 HB1 TYR 23 -7.760 -3.169 1.136 157 HD1 TYR 23 HD1 TYR 23 -10.200 -4.862 -0.588 158 HD2 TYR 23 HD2 TYR 23 -6.517 -5.598 1.411 159 HE1 TYR 23 HE1 TYR 23 -9.879 -6.888 -1.942 160 HE2 TYR 23 HE2 TYR 23 -6.185 -7.629 0.062 161 HH TYR 23 HH TYR 23 -6.890 -8.680 -1.890 162 H GLN 24 HN GLN 24 -7.878 -4.003 5.250 163 HA GLN 24 HA GLN 24 -7.719 -1.087 5.340 164 1HB GLN 24 HB2 GLN 24 -7.914 -3.259 7.374 165 2HB GLN 24 HB1 GLN 24 -7.134 -1.756 7.847 166 1HG GLN 24 HG2 GLN 24 -9.077 -0.711 8.048 167 2HG GLN 24 HG1 GLN 24 -9.619 -1.264 6.464 168 1HE2 GLN 24 HE2 GLN 24 -11.649 -1.884 6.911 169 2HE2 GLN 24 HE2 GLN 24 -12.074 -3.114 8.046 170 H VAL 25 HN VAL 25 -5.856 0.040 5.628 171 HA VAL 25 HA VAL 25 -3.395 -1.241 4.970 172 HB VAL 25 HB VAL 25 -3.925 1.565 5.883 173 1HG1 VAL 25 HG2 VAL 25 -1.683 1.412 6.302 174 2HG1 VAL 25 HG2 VAL 25 -1.645 1.836 4.590 175 3HG1 VAL 25 HG2 VAL 25 -1.434 0.158 5.087 176 1HG2 VAL 25 HG1 VAL 25 -4.801 0.501 3.605 177 2HG2 VAL 25 HG1 VAL 25 -3.166 0.922 3.099 178 3HG2 VAL 25 HG1 VAL 25 -4.246 2.171 3.720 179 H THR 26 HN THR 26 -1.840 -2.006 6.268 180 HA THR 26 HA THR 26 -2.240 -1.764 9.158 181 HB THR 26 HB THR 26 -0.102 -3.551 8.377 182 HG1 THR 26 HG1 THR 26 -1.237 -3.797 6.457 183 1HG2 THR 26 HG2 THR 26 -1.400 -5.215 9.563 184 2HG2 THR 26 HG2 THR 26 -2.776 -4.113 9.630 185 3HG2 THR 26 HG2 THR 26 -1.289 -3.722 10.496 186 H LYS 27 HN LYS 27 0.486 -1.750 6.847 187 HA LYS 27 HA LYS 27 1.911 0.033 8.709 188 1HB LYS 27 HB2 LYS 27 2.749 -2.387 7.795 189 2HB LYS 27 HB1 LYS 27 3.471 -1.314 6.605 190 1HG LYS 27 HG2 LYS 27 4.010 -0.117 9.056 191 2HG LYS 27 HG1 LYS 27 4.255 -1.844 9.325 192 1HD LYS 27 HD2 LYS 27 5.379 -0.786 6.820 193 2HD LYS 27 HD1 LYS 27 6.130 -0.185 8.300 194 1HE LYS 27 HE2 LYS 27 5.784 -2.952 8.650 195 2HE LYS 27 HE1 LYS 27 6.425 -2.734 7.023 196 1HZ LYS 27 HZ1 LYS 27 8.409 -2.462 7.934 197 2HZ LYS 27 HZ2 LYS 27 7.768 -2.517 9.498 198 3HZ LYS 27 HZ3 LYS 27 7.867 -1.042 8.675 199 H THR 28 HN THR 28 2.757 1.929 7.983 200 HA THR 28 HA THR 28 2.477 2.553 5.126 201 HB THR 28 HB THR 28 1.694 4.450 7.347 202 HG1 THR 28 HG1 THR 28 -0.178 3.543 7.309 203 1HG2 THR 28 HG2 THR 28 2.373 5.596 5.323 204 2HG2 THR 28 HG2 THR 28 0.634 5.745 5.582 205 3HG2 THR 28 HG2 THR 28 1.254 4.614 4.378 206 H LEU 29 HN LEU 29 4.397 3.108 4.358 207 HA LEU 29 HA LEU 29 6.321 4.401 6.174 208 1HB LEU 29 HB1 LEU 29 6.917 2.168 5.178 209 2HB LEU 29 HB2 LEU 29 6.934 2.949 3.607 210 HG LEU 29 HG LEU 29 8.646 4.568 4.724 211 1HD1 LEU 29 HD2 LEU 29 8.707 2.187 6.557 212 2HD1 LEU 29 HD2 LEU 29 8.489 3.884 6.983 213 3HD1 LEU 29 HD2 LEU 29 10.051 3.316 6.391 214 1HD2 LEU 29 HD1 LEU 29 9.003 2.834 2.900 215 2HD2 LEU 29 HD1 LEU 29 9.579 1.766 4.179 216 3HD2 LEU 29 HD1 LEU 29 10.415 3.284 3.856 217 H ASP 30 HN ASP 30 6.523 6.505 5.883 218 HA ASP 30 HA ASP 30 6.525 7.559 3.139 219 1HB ASP 30 HB2 ASP 30 5.496 9.626 4.710 220 2HB ASP 30 HB1 ASP 30 4.607 8.647 3.548 221 H VAL 31 HN VAL 31 8.637 8.039 2.927 222 HA VAL 31 HA VAL 31 9.748 10.015 4.774 223 HB VAL 31 HB VAL 31 10.589 7.917 5.632 224 1HG1 VAL 31 HG1 VAL 31 12.354 6.857 3.867 225 2HG1 VAL 31 HG1 VAL 31 11.043 7.341 2.792 226 3HG1 VAL 31 HG1 VAL 31 10.722 6.249 4.139 227 1HG2 VAL 31 HG2 VAL 31 12.701 8.662 5.962 228 2HG2 VAL 31 HG2 VAL 31 12.039 10.100 5.183 229 3HG2 VAL 31 HG2 VAL 31 12.989 8.947 4.245 230 H ARG 32 HN ARG 32 9.164 11.314 2.870 231 HA ARG 32 HA ARG 32 10.260 11.041 0.338 232 1HB ARG 32 HB2 ARG 32 9.431 13.456 1.922 233 2HB ARG 32 HB1 ARG 32 10.069 13.608 0.291 234 1HG ARG 32 HG2 ARG 32 8.197 12.792 -0.666 235 2HG ARG 32 HG1 ARG 32 7.885 11.660 0.653 236 1HD ARG 32 HD1 ARG 32 6.281 13.049 1.325 237 2HD ARG 32 HD2 ARG 32 7.564 14.157 1.811 238 HE ARG 32 HE ARG 32 6.375 14.248 -0.882 239 1HH1 ARG 32 HH1 ARG 32 7.344 15.797 2.087 240 2HH1 ARG 32 HH1 ARG 32 6.986 17.394 1.520 241 1HH2 ARG 32 HH2 ARG 32 5.903 16.346 -1.635 242 2HH2 ARG 32 HH2 ARG 32 6.167 17.706 -0.597 243 H GLY 33 HN GLY 33 11.398 13.757 2.226 244 1HA GLY 33 HA1 GLY 33 14.017 13.587 1.113 245 2HA GLY 33 HA2 GLY 33 13.499 14.689 2.381 246 H GLU 34 HN GLU 34 15.103 11.742 1.639 247 HA GLU 34 HA GLU 34 15.332 11.004 4.456 248 1HB GLU 34 HB1 GLU 34 16.093 8.898 3.741 249 2HB GLU 34 HB2 GLU 34 14.844 9.329 2.582 250 1HG GLU 34 HG2 GLU 34 16.502 9.960 0.956 251 2HG GLU 34 HG1 GLU 34 17.796 9.695 2.126 252 H VAL 35 HN VAL 35 17.484 10.376 5.281 253 HA VAL 35 HA VAL 35 19.681 11.897 4.091 254 HB VAL 35 HB VAL 35 20.038 12.019 6.873 255 1HG1 VAL 35 HG2 VAL 35 20.852 13.989 6.253 256 2HG1 VAL 35 HG2 VAL 35 19.267 14.525 5.697 257 3HG1 VAL 35 HG2 VAL 35 20.325 13.626 4.610 258 1HG2 VAL 35 HG1 VAL 35 17.839 11.933 7.497 259 2HG2 VAL 35 HG1 VAL 35 17.271 12.595 5.965 260 3HG2 VAL 35 HG1 VAL 35 17.996 13.659 7.172 261 H CYS 36 HN CYS 36 19.761 10.401 7.212 262 HA CYS 36 HA CYS 36 22.036 8.847 6.646 263 1HB CYS 36 HB1 CYS 36 21.230 7.623 8.827 264 2HB CYS 36 HB2 CYS 36 21.800 9.287 8.909 265 HG CYS 36 HG CYS 36 19.551 10.052 9.573 266 HA PRO 37 HA PRO 37 20.347 5.196 4.832 267 1HB PRO 37 HB1 PRO 37 22.225 3.473 6.236 268 2HB PRO 37 HB2 PRO 37 22.210 3.947 4.537 269 1HG PRO 37 HG2 PRO 37 24.100 4.797 6.292 270 2HG PRO 37 HG1 PRO 37 23.578 5.753 4.892 271 1HD PRO 37 HD2 PRO 37 22.786 6.015 7.770 272 2HD PRO 37 HD1 PRO 37 23.160 7.285 6.583 273 H VAL 38 HN VAL 38 19.704 5.901 7.888 274 HA VAL 38 HA VAL 38 19.135 3.465 9.157 275 HB VAL 38 HB VAL 38 17.696 6.088 9.553 276 1HG1 VAL 38 HG2 VAL 38 16.624 5.177 11.295 277 2HG1 VAL 38 HG2 VAL 38 18.059 4.309 11.839 278 3HG1 VAL 38 HG2 VAL 38 17.046 3.627 10.568 279 1HG2 VAL 38 HG1 VAL 38 20.394 5.219 10.219 280 2HG2 VAL 38 HG1 VAL 38 19.483 5.778 11.621 281 3HG2 VAL 38 HG1 VAL 38 19.690 6.837 10.226 282 HA PRO 39 HA PRO 39 14.568 3.946 7.484 283 1HB PRO 39 HB2 PRO 39 14.360 5.377 5.155 284 2HB PRO 39 HB1 PRO 39 14.043 6.048 6.758 285 1HG PRO 39 HG1 PRO 39 16.516 6.236 5.080 286 2HG PRO 39 HG2 PRO 39 15.712 7.497 6.034 287 1HD PRO 39 HD1 PRO 39 17.903 6.245 6.937 288 2HD PRO 39 HD2 PRO 39 16.589 6.715 8.035 289 H ASP 40 HN ASP 40 17.415 3.798 5.476 290 HA ASP 40 HA ASP 40 16.380 2.296 3.331 291 1HB ASP 40 HB2 ASP 40 18.984 3.140 4.277 292 2HB ASP 40 HB1 ASP 40 19.042 1.482 3.686 293 H VAL 41 HN VAL 41 17.945 1.307 6.360 294 HA VAL 41 HA VAL 41 17.741 -1.486 5.849 295 HB VAL 41 HB VAL 41 17.907 -0.266 8.594 296 1HG1 VAL 41 HG2 VAL 41 18.013 -2.903 7.567 297 2HG1 VAL 41 HG2 VAL 41 18.229 -2.367 9.234 298 3HG1 VAL 41 HG2 VAL 41 19.622 -2.493 8.161 299 1HG2 VAL 41 HG1 VAL 41 20.454 -0.506 8.149 300 2HG2 VAL 41 HG1 VAL 41 19.605 0.929 7.574 301 3HG2 VAL 41 HG1 VAL 41 19.991 -0.376 6.453 302 H GLU 42 HN GLU 42 15.584 0.910 7.107 303 HA GLU 42 HA GLU 42 13.831 -0.755 8.556 304 1HB GLU 42 HB1 GLU 42 13.824 1.686 8.778 305 2HB GLU 42 HB2 GLU 42 13.271 1.847 7.117 306 1HG GLU 42 HG2 GLU 42 11.139 1.218 7.615 307 2HG GLU 42 HG1 GLU 42 11.634 0.215 8.978 308 H THR 43 HN THR 43 13.538 0.544 5.241 309 HA THR 43 HA THR 43 11.228 -0.917 4.579 310 HB THR 43 HB THR 43 12.110 1.078 3.341 311 HG1 THR 43 HG1 THR 43 10.676 -0.781 2.479 312 1HG2 THR 43 HG2 THR 43 13.664 -0.361 1.421 313 2HG2 THR 43 HG2 THR 43 14.413 -0.465 3.014 314 3HG2 THR 43 HG2 THR 43 14.056 1.111 2.309 315 H LYS 44 HN LYS 44 14.582 -1.775 4.663 316 HA LYS 44 HA LYS 44 14.599 -3.972 2.926 317 1HB LYS 44 HB1 LYS 44 16.206 -3.259 5.365 318 2HB LYS 44 HB2 LYS 44 16.447 -4.800 4.553 319 1HG LYS 44 HG1 LYS 44 16.472 -2.439 2.802 320 2HG LYS 44 HG2 LYS 44 17.796 -2.542 3.966 321 1HD LYS 44 HD1 LYS 44 17.261 -5.082 2.655 322 2HD LYS 44 HD2 LYS 44 17.677 -3.805 1.510 323 1HE LYS 44 HE1 LYS 44 19.591 -3.313 3.228 324 2HE LYS 44 HE2 LYS 44 19.300 -4.981 3.720 325 1HZ LYS 44 HZ1 LYS 44 20.612 -5.567 2.048 326 2HZ LYS 44 HZ2 LYS 44 20.661 -3.995 1.425 327 3HZ LYS 44 HZ3 LYS 44 19.411 -5.044 0.977 328 H ARG 45 HN ARG 45 13.789 -3.726 6.368 329 HA ARG 45 HA ARG 45 13.322 -6.479 6.785 330 1HB ARG 45 HB1 ARG 45 13.670 -4.776 8.571 331 2HB ARG 45 HB2 ARG 45 12.040 -4.193 8.260 332 1HG ARG 45 HG1 ARG 45 11.571 -5.630 9.949 333 2HG ARG 45 HG2 ARG 45 11.477 -6.758 8.594 334 1HD ARG 45 HD2 ARG 45 12.932 -7.994 9.745 335 2HD ARG 45 HD1 ARG 45 14.135 -6.824 9.199 336 HE ARG 45 HE ARG 45 12.734 -6.532 11.775 337 1HH1 ARG 45 HH1 ARG 45 15.651 -6.603 9.869 338 2HH1 ARG 45 HH1 ARG 45 16.675 -6.140 11.186 339 1HH2 ARG 45 HH2 ARG 45 14.076 -5.921 13.514 340 2HH2 ARG 45 HH2 ARG 45 15.780 -5.751 13.257 341 H ALA 46 HN ALA 46 11.232 -3.821 5.758 342 HA ALA 46 HA ALA 46 8.773 -5.144 5.898 343 1HB ALA 46 HB1 ALA 46 9.827 -2.783 4.504 344 2HB ALA 46 HB2 ALA 46 8.338 -2.990 5.426 345 3HB ALA 46 HB3 ALA 46 8.420 -3.533 3.750 346 H LEU 47 HN LEU 47 11.353 -5.304 3.563 347 HA LEU 47 HA LEU 47 9.857 -6.725 1.569 348 1HB LEU 47 HB2 LEU 47 12.715 -5.964 1.956 349 2HB LEU 47 HB1 LEU 47 12.308 -7.207 0.793 350 HG LEU 47 HG LEU 47 11.197 -5.739 -0.611 351 1HD1 LEU 47 HD2 LEU 47 10.966 -3.912 1.763 352 2HD1 LEU 47 HD2 LEU 47 9.673 -4.649 0.816 353 3HD1 LEU 47 HD2 LEU 47 10.660 -3.367 0.113 354 1HD2 LEU 47 HD1 LEU 47 13.619 -4.540 0.632 355 2HD2 LEU 47 HD1 LEU 47 12.723 -3.606 -0.566 356 3HD2 LEU 47 HD1 LEU 47 13.384 -5.184 -0.993 357 H GLN 48 HN GLN 48 12.438 -7.635 3.842 358 HA GLN 48 HA GLN 48 12.196 -10.416 3.166 359 1HB GLN 48 HB1 GLN 48 14.008 -8.734 4.737 360 2HB GLN 48 HB2 GLN 48 13.748 -10.331 5.429 361 1HG GLN 48 HG1 GLN 48 14.589 -11.413 3.537 362 2HG GLN 48 HG2 GLN 48 14.461 -9.961 2.544 363 1HE2 GLN 48 HE2 GLN 48 16.401 -9.275 2.020 364 2HE2 GLN 48 HE2 GLN 48 17.773 -9.191 3.066 365 H ASN 49 HN ASN 49 10.339 -8.479 5.087 366 HA ASN 49 HA ASN 49 9.470 -10.800 6.654 367 1HB ASN 49 HB2 ASN 49 10.909 -9.044 7.953 368 2HB ASN 49 HB1 ASN 49 9.440 -8.071 7.906 369 1HD2 ASN 49 HD2 ASN 49 11.080 -9.814 9.931 370 2HD2 ASN 49 HD2 ASN 49 9.829 -10.602 10.823 371 H MET 50 HN MET 50 7.954 -10.749 4.766 372 HA MET 50 HA MET 50 5.813 -8.766 5.122 373 1HB MET 50 HB2 MET 50 6.016 -10.651 2.789 374 2HB MET 50 HB1 MET 50 5.191 -9.101 2.884 375 1HG MET 50 HG2 MET 50 7.142 -7.894 2.650 376 2HG MET 50 HG1 MET 50 8.159 -9.247 3.141 377 1HE MET 50 HE1 MET 50 9.093 -11.167 1.165 378 2HE MET 50 HE2 MET 50 7.778 -11.639 0.088 379 3HE MET 50 HE3 MET 50 7.509 -11.564 1.830 380 H LYS 51 HN LYS 51 3.768 -9.370 5.629 381 HA LYS 51 HA LYS 51 3.380 -12.140 6.446 382 1HB LYS 51 HB2 LYS 51 2.652 -9.714 7.560 383 2HB LYS 51 HB1 LYS 51 1.148 -10.319 6.887 384 1HG LYS 51 HG1 LYS 51 1.616 -12.476 8.116 385 2HG LYS 51 HG2 LYS 51 2.915 -11.615 8.943 386 1HD LYS 51 HD1 LYS 51 0.618 -9.979 9.086 387 2HD LYS 51 HD2 LYS 51 0.112 -11.616 9.507 388 1HE LYS 51 HE2 LYS 51 0.826 -10.339 11.477 389 2HE LYS 51 HE1 LYS 51 1.844 -11.750 11.196 390 1HZ LYS 51 HZ1 LYS 51 3.632 -10.482 10.831 391 2HZ LYS 51 HZ2 LYS 51 2.763 -9.261 11.617 392 3HZ LYS 51 HZ3 LYS 51 2.781 -9.333 9.927 393 HA PRO 52 HA PRO 52 1.012 -13.763 3.131 394 1HB PRO 52 HB2 PRO 52 -1.226 -13.828 5.127 395 2HB PRO 52 HB1 PRO 52 -0.732 -15.061 3.961 396 1HG PRO 52 HG2 PRO 52 -0.013 -15.210 6.540 397 2HG PRO 52 HG1 PRO 52 1.069 -15.740 5.241 398 1HD PRO 52 HD2 PRO 52 1.273 -13.394 7.006 399 2HD PRO 52 HD1 PRO 52 2.531 -14.197 6.048 400 H GLY 53 HN GLY 53 -1.473 -12.030 5.017 401 1HA GLY 53 HA2 GLY 53 -2.248 -10.665 2.530 402 2HA GLY 53 HA1 GLY 53 -3.320 -10.975 3.884 403 H GLU 54 HN GLU 54 -0.199 -9.348 3.343 404 HA GLU 54 HA GLU 54 -0.957 -7.299 5.263 405 1HB GLU 54 HB2 GLU 54 1.545 -8.267 4.084 406 2HB GLU 54 HB1 GLU 54 1.474 -6.517 4.255 407 1HG GLU 54 HG1 GLU 54 1.019 -8.521 6.452 408 2HG GLU 54 HG2 GLU 54 2.490 -7.579 6.198 409 H ILE 55 HN ILE 55 -1.085 -5.106 4.840 410 HA ILE 55 HA ILE 55 -1.197 -4.278 2.022 411 HB ILE 55 HB ILE 55 -3.091 -2.962 3.881 412 1HG1 ILE 55 HG1 ILE 55 -3.312 -5.440 4.342 413 2HG1 ILE 55 HG1 ILE 55 -4.774 -4.649 3.764 414 1HG2 ILE 55 HG2 ILE 55 -3.445 -2.052 1.864 415 2HG2 ILE 55 HG2 ILE 55 -4.424 -3.491 1.578 416 3HG2 ILE 55 HG2 ILE 55 -2.756 -3.430 1.006 417 1HD1 ILE 55 HD1 ILE 55 -3.938 -6.972 2.812 418 2HD1 ILE 55 HD1 ILE 55 -3.027 -5.910 1.739 419 3HD1 ILE 55 HD1 ILE 55 -4.786 -5.792 1.812 420 H LEU 56 HN LEU 56 0.354 -2.777 1.778 421 HA LEU 56 HA LEU 56 0.848 -0.924 4.008 422 1HB LEU 56 HB2 LEU 56 2.917 -1.481 1.932 423 2HB LEU 56 HB1 LEU 56 3.122 -0.993 3.603 424 HG LEU 56 HG LEU 56 2.269 -3.737 2.677 425 1HD1 LEU 56 HD1 LEU 56 4.838 -3.168 4.068 426 2HD1 LEU 56 HD1 LEU 56 4.714 -2.840 2.340 427 3HD1 LEU 56 HD1 LEU 56 4.421 -4.468 2.951 428 1HD2 LEU 56 HD2 LEU 56 1.308 -3.458 4.771 429 2HD2 LEU 56 HD2 LEU 56 2.665 -2.507 5.377 430 3HD2 LEU 56 HD2 LEU 56 2.849 -4.244 5.123 431 H GLU 57 HN GLU 57 1.406 1.210 3.559 432 HA GLU 57 HA GLU 57 0.815 2.149 0.834 433 1HB GLU 57 HB2 GLU 57 -1.080 2.824 2.060 434 2HB GLU 57 HB1 GLU 57 -0.125 3.271 3.465 435 1HG GLU 57 HG2 GLU 57 0.911 5.018 1.802 436 2HG GLU 57 HG1 GLU 57 -0.601 4.758 0.933 437 H VAL 58 HN VAL 58 2.506 3.128 -0.035 438 HA VAL 58 HA VAL 58 4.559 4.223 1.772 439 HB VAL 58 HB VAL 58 5.059 3.361 -1.067 440 1HG1 VAL 58 HG2 VAL 58 6.690 4.842 0.111 441 2HG1 VAL 58 HG2 VAL 58 7.354 3.294 -0.412 442 3HG1 VAL 58 HG2 VAL 58 6.935 3.546 1.282 443 1HG2 VAL 58 HG1 VAL 58 4.129 1.448 0.150 444 2HG2 VAL 58 HG1 VAL 58 5.345 1.664 1.411 445 3HG2 VAL 58 HG1 VAL 58 5.838 1.216 -0.222 446 H TRP 59 HN TRP 59 5.368 6.218 1.477 447 HA TRP 59 HA TRP 59 4.472 7.777 -0.844 448 1HB TRP 59 HB2 TRP 59 3.103 8.227 1.286 449 2HB TRP 59 HB1 TRP 59 4.565 8.969 1.925 450 HD1 TRP 59 HD1 TRP 59 3.868 9.526 -1.757 451 HE1 TRP 59 HE1 TRP 59 3.163 11.971 -2.126 452 HE3 TRP 59 HE3 TRP 59 3.310 10.958 3.122 453 HZ2 TRP 59 HZ2 TRP 59 2.463 14.211 -0.562 454 HZ3 TRP 59 HZ3 TRP 59 2.621 13.271 3.597 455 HH2 TRP 59 HH2 TRP 59 2.206 14.864 1.792 456 H ILE 60 HN ILE 60 6.321 8.151 -1.892 457 HA ILE 60 HA ILE 60 8.431 9.618 -0.575 458 HB ILE 60 HB ILE 60 10.058 7.816 -1.740 459 1HG1 ILE 60 HG1 ILE 60 7.799 6.173 -0.572 460 2HG1 ILE 60 HG1 ILE 60 8.122 6.340 -2.294 461 1HG2 ILE 60 HG2 ILE 60 9.365 8.617 0.870 462 2HG2 ILE 60 HG2 ILE 60 10.858 7.849 0.328 463 3HG2 ILE 60 HG2 ILE 60 9.513 6.859 0.896 464 1HD1 ILE 60 HD1 ILE 60 10.542 5.527 -1.329 465 2HD1 ILE 60 HD1 ILE 60 9.320 4.482 -2.054 466 3HD1 ILE 60 HD1 ILE 60 9.407 4.652 -0.301 467 H ASP 61 HN ASP 61 10.429 9.349 -2.444 468 HA ASP 61 HA ASP 61 9.140 10.408 -4.871 469 1HB ASP 61 HB1 ASP 61 11.976 10.964 -4.000 470 2HB ASP 61 HB2 ASP 61 11.015 11.836 -5.192 471 H TYR 62 HN TYR 62 10.636 7.721 -3.730 472 HA TYR 62 HA TYR 62 11.606 7.000 -6.411 473 1HB TYR 62 HB1 TYR 62 12.940 5.895 -3.961 474 2HB TYR 62 HB2 TYR 62 13.568 6.031 -5.600 475 HD1 TYR 62 HD1 TYR 62 14.169 8.337 -6.470 476 HD2 TYR 62 HD2 TYR 62 13.373 7.566 -2.363 477 HE1 TYR 62 HE1 TYR 62 15.322 10.423 -5.862 478 HE2 TYR 62 HE2 TYR 62 14.523 9.650 -1.744 479 HH TYR 62 HH TYR 62 16.050 11.225 -2.562 480 HA PRO 63 HA PRO 63 8.617 3.726 -5.908 481 1HB PRO 63 HB2 PRO 63 10.242 2.407 -8.008 482 2HB PRO 63 HB1 PRO 63 8.515 2.776 -7.987 483 1HG PRO 63 HG2 PRO 63 10.202 4.185 -9.500 484 2HG PRO 63 HG1 PRO 63 8.839 4.965 -8.675 485 1HD PRO 63 HD1 PRO 63 11.742 4.956 -7.955 486 2HD PRO 63 HD2 PRO 63 10.555 6.272 -7.841 487 H MET 64 HN MET 64 9.161 2.857 -3.911 488 HA MET 64 HA MET 64 11.516 1.354 -3.425 489 1HB MET 64 HB2 MET 64 9.456 2.395 -1.881 490 2HB MET 64 HB1 MET 64 9.260 0.655 -1.716 491 1HG MET 64 HG2 MET 64 10.647 1.439 0.058 492 2HG MET 64 HG1 MET 64 11.639 0.495 -1.054 493 1HE MET 64 HE1 MET 64 11.765 2.897 1.234 494 2HE MET 64 HE2 MET 64 12.884 4.165 0.734 495 3HE MET 64 HE3 MET 64 13.454 2.505 0.909 496 H SER 65 HN SER 65 8.588 0.621 -5.001 497 HA SER 65 HA SER 65 8.372 -2.135 -4.461 498 1HB SER 65 HB1 SER 65 6.732 -2.182 -6.097 499 2HB SER 65 HB2 SER 65 6.736 -0.468 -5.681 500 HG SER 65 HG SER 65 8.173 -0.163 -7.478 501 H LYS 66 HN LYS 66 10.745 -0.427 -6.120 502 HA LYS 66 HA LYS 66 11.404 -2.147 -8.226 503 1HB LYS 66 HB1 LYS 66 13.628 -1.115 -8.146 504 2HB LYS 66 HB2 LYS 66 12.361 0.096 -7.997 505 1HG LYS 66 HG1 LYS 66 12.713 0.166 -5.577 506 2HG LYS 66 HG2 LYS 66 13.994 -1.038 -5.735 507 1HD LYS 66 HD2 LYS 66 15.489 0.478 -6.441 508 2HD LYS 66 HD1 LYS 66 14.320 1.266 -7.504 509 1HE LYS 66 HE1 LYS 66 13.325 2.088 -5.195 510 2HE LYS 66 HE2 LYS 66 14.985 1.820 -4.660 511 1HZ LYS 66 HZ1 LYS 66 15.429 3.179 -6.886 512 2HZ LYS 66 HZ2 LYS 66 15.212 3.927 -5.386 513 3HZ LYS 66 HZ3 LYS 66 13.922 3.829 -6.475 514 H GLU 67 HN GLU 67 12.307 -2.207 -4.818 515 HA GLU 67 HA GLU 67 13.932 -4.595 -5.206 516 1HB GLU 67 HB2 GLU 67 13.556 -2.601 -3.054 517 2HB GLU 67 HB1 GLU 67 13.858 -4.248 -2.517 518 1HG GLU 67 HG1 GLU 67 15.835 -4.170 -4.181 519 2HG GLU 67 HG2 GLU 67 15.621 -2.423 -4.089 520 H ARG 68 HN ARG 68 10.794 -3.618 -4.138 521 HA ARG 68 HA ARG 68 10.081 -5.891 -2.643 522 1HB ARG 68 HB1 ARG 68 8.404 -3.943 -4.230 523 2HB ARG 68 HB2 ARG 68 7.722 -5.195 -3.199 524 1HG ARG 68 HG1 ARG 68 8.966 -4.199 -1.283 525 2HG ARG 68 HG2 ARG 68 9.440 -2.875 -2.351 526 1HD ARG 68 HD1 ARG 68 7.353 -1.976 -2.393 527 2HD ARG 68 HD2 ARG 68 6.557 -3.539 -2.220 528 HE ARG 68 HE ARG 68 6.943 -3.427 0.130 529 1HH1 ARG 68 HH1 ARG 68 7.763 -0.518 -1.606 530 2HH1 ARG 68 HH1 ARG 68 7.715 0.489 -0.199 531 1HH2 ARG 68 HH2 ARG 68 6.877 -2.107 1.988 532 2HH2 ARG 68 HH2 ARG 68 7.211 -0.414 1.844 533 H ILE 69 HN ILE 69 9.751 -5.150 -6.104 534 HA ILE 69 HA ILE 69 8.237 -7.294 -6.916 535 HB ILE 69 HB ILE 69 10.508 -6.000 -8.418 536 1HG1 ILE 69 HG1 ILE 69 7.604 -5.561 -8.983 537 2HG1 ILE 69 HG1 ILE 69 8.329 -4.738 -7.604 538 1HG2 ILE 69 HG2 ILE 69 9.786 -8.316 -9.201 539 2HG2 ILE 69 HG2 ILE 69 9.756 -7.016 -10.393 540 3HG2 ILE 69 HG2 ILE 69 8.255 -7.560 -9.644 541 1HD1 ILE 69 HD1 ILE 69 9.551 -4.578 -10.331 542 2HD1 ILE 69 HD1 ILE 69 9.771 -3.503 -8.951 543 3HD1 ILE 69 HD1 ILE 69 8.244 -3.504 -9.833 544 HA PRO 70 HA PRO 70 12.364 -9.912 -7.641 545 1HB PRO 70 HB1 PRO 70 13.938 -8.698 -5.421 546 2HB PRO 70 HB2 PRO 70 14.487 -9.333 -6.976 547 1HG PRO 70 HG2 PRO 70 14.340 -6.710 -6.557 548 2HG PRO 70 HG1 PRO 70 13.884 -7.408 -8.122 549 1HD PRO 70 HD2 PRO 70 12.147 -6.382 -5.923 550 2HD PRO 70 HD1 PRO 70 11.916 -6.292 -7.680 551 H GLU 71 HN GLU 71 11.625 -8.699 -4.370 552 HA GLU 71 HA GLU 71 12.049 -11.169 -3.062 553 1HB GLU 71 HB1 GLU 71 11.273 -8.528 -2.342 554 2HB GLU 71 HB2 GLU 71 10.095 -9.637 -1.652 555 1HG GLU 71 HG1 GLU 71 11.516 -9.920 0.023 556 2HG GLU 71 HG2 GLU 71 12.521 -10.835 -1.101 557 H THR 72 HN THR 72 8.944 -9.540 -3.762 558 HA THR 72 HA THR 72 7.307 -11.648 -3.023 559 HB THR 72 HB THR 72 5.943 -10.358 -5.077 560 HG1 THR 72 HG1 THR 72 7.815 -8.936 -5.154 561 1HG2 THR 72 HG2 THR 72 4.686 -9.325 -3.418 562 2HG2 THR 72 HG2 THR 72 6.043 -9.283 -2.292 563 3HG2 THR 72 HG2 THR 72 5.259 -10.817 -2.672 564 H VAL 73 HN VAL 73 8.668 -10.906 -6.225 565 HA VAL 73 HA VAL 73 7.311 -12.885 -7.644 566 HB VAL 73 HB VAL 73 8.703 -11.041 -8.648 567 1HG1 VAL 73 HG1 VAL 73 10.825 -10.959 -7.934 568 2HG1 VAL 73 HG1 VAL 73 11.116 -12.220 -9.133 569 3HG1 VAL 73 HG1 VAL 73 10.828 -12.655 -7.449 570 1HG2 VAL 73 HG2 VAL 73 9.006 -13.871 -9.624 571 2HG2 VAL 73 HG2 VAL 73 9.448 -12.456 -10.579 572 3HG2 VAL 73 HG2 VAL 73 7.774 -12.694 -10.081 573 H LYS 74 HN LYS 74 10.083 -13.097 -5.535 574 HA LYS 74 HA LYS 74 11.029 -15.647 -6.284 575 1HB LYS 74 HB1 LYS 74 12.186 -14.083 -4.698 576 2HB LYS 74 HB2 LYS 74 10.961 -14.467 -3.497 577 1HG LYS 74 HG1 LYS 74 12.452 -15.997 -2.824 578 2HG LYS 74 HG2 LYS 74 11.801 -16.950 -4.159 579 1HD LYS 74 HD1 LYS 74 14.087 -17.069 -4.523 580 2HD LYS 74 HD2 LYS 74 13.600 -15.738 -5.576 581 1HE LYS 74 HE2 LYS 74 15.231 -14.583 -4.572 582 2HE LYS 74 HE1 LYS 74 14.110 -14.453 -3.217 583 1HZ LYS 74 HZ1 LYS 74 15.110 -16.597 -2.403 584 2HZ LYS 74 HZ2 LYS 74 16.123 -15.243 -2.334 585 3HZ LYS 74 HZ3 LYS 74 16.324 -16.388 -3.564 586 H LYS 75 HN LYS 75 8.486 -14.529 -4.136 587 HA LYS 75 HA LYS 75 7.596 -17.249 -3.568 588 1HB LYS 75 HB2 LYS 75 6.781 -14.515 -2.637 589 2HB LYS 75 HB1 LYS 75 5.690 -15.876 -2.414 590 1HG LYS 75 HG1 LYS 75 6.903 -16.739 -0.742 591 2HG LYS 75 HG2 LYS 75 8.438 -16.372 -1.533 592 1HD LYS 75 HD2 LYS 75 8.278 -15.086 0.497 593 2HD LYS 75 HD1 LYS 75 8.152 -13.996 -0.884 594 1HE LYS 75 HE2 LYS 75 6.163 -13.280 -0.204 595 2HE LYS 75 HE1 LYS 75 5.545 -14.930 -0.140 596 1HZ LYS 75 HZ1 LYS 75 7.248 -13.920 2.037 597 2HZ LYS 75 HZ2 LYS 75 6.072 -15.136 2.075 598 3HZ LYS 75 HZ3 LYS 75 5.607 -13.511 1.998 599 H LEU 76 HN LEU 76 5.535 -14.484 -4.337 600 HA LEU 76 HA LEU 76 4.179 -16.113 -6.366 601 1HB LEU 76 HB1 LEU 76 2.583 -13.946 -6.158 602 2HB LEU 76 HB2 LEU 76 2.369 -15.418 -5.233 603 HG LEU 76 HG LEU 76 2.158 -13.273 -3.946 604 1HD1 LEU 76 HD1 LEU 76 4.373 -14.584 -2.580 605 2HD1 LEU 76 HD1 LEU 76 3.160 -15.705 -3.194 606 3HD1 LEU 76 HD1 LEU 76 2.686 -14.405 -2.100 607 1HD2 LEU 76 HD2 LEU 76 4.946 -12.990 -4.869 608 2HD2 LEU 76 HD2 LEU 76 4.606 -12.536 -3.199 609 3HD2 LEU 76 HD2 LEU 76 3.728 -11.764 -4.519 610 H GLY 77 HN GLY 77 3.661 -12.735 -6.485 611 1HA GLY 77 HA1 GLY 77 5.614 -12.435 -8.667 612 2HA GLY 77 HA2 GLY 77 3.938 -11.958 -8.898 613 H HIS 78 HN HIS 78 3.096 -10.207 -7.601 614 HA HIS 78 HA HIS 78 5.043 -8.566 -6.199 615 1HB HIS 78 HB1 HIS 78 3.807 -6.634 -7.730 616 2HB HIS 78 HB2 HIS 78 5.435 -7.254 -7.983 617 HD2 HIS 78 HD2 HIS 78 5.711 -7.652 -10.604 618 HE1 HIS 78 HE1 HIS 78 1.888 -9.321 -11.324 619 HE2 HIS 78 HE2 HIS 78 4.119 -8.704 -12.362 620 H GLU 79 HN GLU 79 3.952 -6.568 -5.263 621 HA GLU 79 HA GLU 79 1.249 -7.271 -4.388 622 1HB GLU 79 HB2 GLU 79 2.751 -5.265 -2.851 623 2HB GLU 79 HB1 GLU 79 1.835 -6.652 -2.289 624 1HG GLU 79 HG2 GLU 79 3.854 -7.396 -1.673 625 2HG GLU 79 HG1 GLU 79 3.940 -7.916 -3.357 626 H VAL 80 HN VAL 80 0.983 -6.164 -6.672 627 HA VAL 80 HA VAL 80 0.985 -3.251 -6.436 628 HB VAL 80 HB VAL 80 -0.010 -4.271 -8.964 629 1HG1 VAL 80 HG1 VAL 80 1.544 -2.727 -9.874 630 2HG1 VAL 80 HG1 VAL 80 2.496 -2.706 -8.389 631 3HG1 VAL 80 HG1 VAL 80 0.888 -1.982 -8.416 632 1HG2 VAL 80 HG2 VAL 80 2.006 -5.321 -9.771 633 2HG2 VAL 80 HG2 VAL 80 1.423 -6.198 -8.356 634 3HG2 VAL 80 HG2 VAL 80 2.791 -5.095 -8.208 635 H LEU 81 HN LEU 81 -0.780 -2.175 -5.919 636 HA LEU 81 HA LEU 81 -3.390 -3.305 -6.616 637 1HB LEU 81 HB2 LEU 81 -4.303 -2.901 -4.487 638 2HB LEU 81 HB1 LEU 81 -2.772 -3.703 -4.197 639 HG LEU 81 HG LEU 81 -2.130 -1.000 -4.128 640 1HD1 LEU 81 HD1 LEU 81 -4.669 -1.434 -2.568 641 2HD1 LEU 81 HD1 LEU 81 -4.567 -0.522 -4.075 642 3HD1 LEU 81 HD1 LEU 81 -3.698 0.037 -2.645 643 1HD2 LEU 81 HD2 LEU 81 -1.212 -2.743 -2.700 644 2HD2 LEU 81 HD2 LEU 81 -2.754 -2.877 -1.855 645 3HD2 LEU 81 HD2 LEU 81 -1.812 -1.391 -1.738 646 H GLU 82 HN GLU 82 -1.510 -0.454 -5.764 647 HA GLU 82 HA GLU 82 -3.177 1.119 -7.547 648 1HB GLU 82 HB2 GLU 82 -3.826 1.108 -4.869 649 2HB GLU 82 HB1 GLU 82 -2.830 2.548 -5.025 650 1HG GLU 82 HG2 GLU 82 -4.776 2.325 -7.160 651 2HG GLU 82 HG1 GLU 82 -5.527 2.335 -5.565 652 H ILE 83 HN ILE 83 -2.244 3.022 -8.269 653 HA ILE 83 HA ILE 83 0.402 3.758 -7.282 654 HB ILE 83 HB ILE 83 -0.139 3.003 -10.156 655 1HG1 ILE 83 HG1 ILE 83 2.176 1.758 -9.369 656 2HG1 ILE 83 HG1 ILE 83 1.226 1.723 -7.887 657 1HG2 ILE 83 HG2 ILE 83 1.420 4.441 -10.798 658 2HG2 ILE 83 HG2 ILE 83 2.586 3.655 -9.734 659 3HG2 ILE 83 HG2 ILE 83 1.609 4.996 -9.135 660 1HD1 ILE 83 HD1 ILE 83 1.007 0.087 -10.213 661 2HD1 ILE 83 HD1 ILE 83 -0.510 0.946 -9.944 662 3HD1 ILE 83 HD1 ILE 83 0.176 -0.054 -8.664 663 H GLU 84 HN GLU 84 0.696 5.928 -7.305 664 HA GLU 84 HA GLU 84 -0.746 7.612 -9.166 665 1HB GLU 84 HB2 GLU 84 -1.696 9.005 -7.274 666 2HB GLU 84 HB1 GLU 84 -2.471 7.451 -7.549 667 1HG GLU 84 HG2 GLU 84 -1.288 6.486 -5.679 668 2HG GLU 84 HG1 GLU 84 -0.395 7.988 -5.436 669 H GLU 85 HN GLU 85 -0.322 10.019 -8.520 670 HA GLU 85 HA GLU 85 2.379 10.320 -7.416 671 1HB GLU 85 HB1 GLU 85 3.066 11.734 -9.268 672 2HB GLU 85 HB2 GLU 85 2.578 10.156 -9.873 673 1HG GLU 85 HG2 GLU 85 1.161 11.124 -11.259 674 2HG GLU 85 HG1 GLU 85 0.293 11.823 -9.891 675 H VAL 86 HN VAL 86 2.915 12.774 -7.298 676 HA VAL 86 HA VAL 86 0.526 14.346 -6.651 677 HB VAL 86 HB VAL 86 1.992 15.198 -4.629 678 1HG1 VAL 86 HG1 VAL 86 0.521 12.582 -4.404 679 2HG1 VAL 86 HG1 VAL 86 -0.284 14.139 -4.602 680 3HG1 VAL 86 HG1 VAL 86 0.702 13.832 -3.173 681 1HG2 VAL 86 HG2 VAL 86 2.813 12.637 -3.859 682 2HG2 VAL 86 HG2 VAL 86 3.836 14.019 -4.250 683 3HG2 VAL 86 HG2 VAL 86 3.410 12.855 -5.504 684 H GLY 87 HN GLY 87 4.079 14.390 -6.894 685 1HA GLY 87 HA1 GLY 87 3.840 17.041 -8.174 686 2HA GLY 87 HA2 GLY 87 5.096 16.699 -6.994 687 HA PRO 88 HA PRO 88 7.048 16.023 -11.110 688 1HB PRO 88 HB2 PRO 88 9.575 16.575 -10.216 689 2HB PRO 88 HB1 PRO 88 8.449 17.802 -10.804 690 1HG PRO 88 HG2 PRO 88 9.093 17.012 -7.991 691 2HG PRO 88 HG1 PRO 88 8.859 18.632 -8.674 692 1HD PRO 88 HD2 PRO 88 6.936 17.388 -7.255 693 2HD PRO 88 HD1 PRO 88 6.555 18.458 -8.619 694 H SER 89 HN SER 89 9.243 15.279 -8.419 695 HA SER 89 HA SER 89 9.483 12.557 -9.463 696 1HB SER 89 HB1 SER 89 11.465 12.595 -7.718 697 2HB SER 89 HB2 SER 89 11.641 13.379 -9.288 698 HG SER 89 HG SER 89 12.114 14.537 -7.117 699 H GLU 90 HN GLU 90 7.817 14.164 -7.134 700 HA GLU 90 HA GLU 90 7.942 12.037 -5.138 701 1HB GLU 90 HB2 GLU 90 6.181 13.639 -4.025 702 2HB GLU 90 HB1 GLU 90 7.893 14.036 -3.994 703 1HG GLU 90 HG1 GLU 90 6.789 15.112 -6.373 704 2HG GLU 90 HG2 GLU 90 5.738 15.552 -5.027 705 H TRP 91 HN TRP 91 6.421 10.503 -4.904 706 HA TRP 91 HA TRP 91 3.763 10.883 -5.998 707 1HB TRP 91 HB1 TRP 91 4.068 8.517 -7.127 708 2HB TRP 91 HB2 TRP 91 4.529 9.987 -7.979 709 HD1 TRP 91 HD1 TRP 91 6.317 7.435 -5.645 710 HE1 TRP 91 HE1 TRP 91 8.681 7.042 -6.585 711 HE3 TRP 91 HE3 TRP 91 6.154 10.643 -9.623 712 HZ2 TRP 91 HZ2 TRP 91 10.266 7.969 -8.730 713 HZ3 TRP 91 HZ3 TRP 91 8.135 10.831 -11.069 714 HH2 TRP 91 HH2 TRP 91 10.148 9.520 -10.631 715 H LYS 92 HN LYS 92 2.399 8.870 -5.598 716 HA LYS 92 HA LYS 92 3.204 7.615 -3.060 717 1HB LYS 92 HB2 LYS 92 1.176 9.378 -3.288 718 2HB LYS 92 HB1 LYS 92 0.316 7.894 -3.679 719 1HG LYS 92 HG2 LYS 92 1.169 6.917 -1.558 720 2HG LYS 92 HG1 LYS 92 1.841 8.499 -1.161 721 1HD LYS 92 HD1 LYS 92 -0.783 9.045 -1.858 722 2HD LYS 92 HD2 LYS 92 -0.889 7.535 -0.951 723 1HE LYS 92 HE2 LYS 92 0.569 8.660 0.799 724 2HE LYS 92 HE1 LYS 92 0.249 10.169 -0.055 725 1HZ LYS 92 HZ1 LYS 92 -2.138 9.760 0.274 726 2HZ LYS 92 HZ2 LYS 92 -1.304 9.911 1.738 727 3HZ LYS 92 HZ3 LYS 92 -1.773 8.382 1.185 728 H ILE 93 HN ILE 93 3.098 5.443 -2.963 729 HA ILE 93 HA ILE 93 1.739 4.038 -5.169 730 HB ILE 93 HB ILE 93 4.269 3.052 -3.862 731 1HG1 ILE 93 HG1 ILE 93 4.910 3.768 -6.463 732 2HG1 ILE 93 HG1 ILE 93 3.901 5.102 -5.913 733 1HG2 ILE 93 HG2 ILE 93 2.529 1.576 -5.156 734 2HG2 ILE 93 HG2 ILE 93 4.261 1.351 -5.397 735 3HG2 ILE 93 HG2 ILE 93 3.319 2.267 -6.573 736 1HD1 ILE 93 HD1 ILE 93 5.425 5.808 -4.397 737 2HD1 ILE 93 HD1 ILE 93 6.522 5.054 -5.554 738 3HD1 ILE 93 HD1 ILE 93 6.046 4.185 -4.095 739 H TYR 94 HN TYR 94 0.829 2.018 -4.689 740 HA TYR 94 HA TYR 94 0.503 1.467 -1.817 741 1HB TYR 94 HB1 TYR 94 -1.487 1.476 -4.053 742 2HB TYR 94 HB2 TYR 94 -1.730 0.394 -2.687 743 HD1 TYR 94 HD1 TYR 94 -1.340 3.955 -3.631 744 HD2 TYR 94 HD2 TYR 94 -2.568 1.199 -0.632 745 HE1 TYR 94 HE1 TYR 94 -2.341 5.801 -2.353 746 HE2 TYR 94 HE2 TYR 94 -3.575 3.038 0.654 747 HH TYR 94 HH TYR 94 -4.256 5.990 -0.586 748 H ILE 95 HN ILE 95 1.203 -0.420 -1.161 749 HA ILE 95 HA ILE 95 1.549 -2.616 -3.104 750 HB ILE 95 HB ILE 95 3.336 -1.644 -0.879 751 1HG1 ILE 95 HG1 ILE 95 3.559 -0.689 -3.185 752 2HG1 ILE 95 HG1 ILE 95 5.016 -1.474 -2.585 753 1HG2 ILE 95 HG2 ILE 95 3.840 -4.202 -2.356 754 2HG2 ILE 95 HG2 ILE 95 2.962 -4.162 -0.827 755 3HG2 ILE 95 HG2 ILE 95 4.628 -3.588 -0.902 756 1HD1 ILE 95 HD1 ILE 95 4.298 -3.511 -3.889 757 2HD1 ILE 95 HD1 ILE 95 4.802 -2.110 -4.833 758 3HD1 ILE 95 HD1 ILE 95 3.087 -2.478 -4.649 759 H LYS 96 HN LYS 96 1.048 -4.739 -2.363 760 HA LYS 96 HA LYS 96 0.224 -5.046 0.404 761 1HB LYS 96 HB2 LYS 96 -1.899 -4.436 -0.008 762 2HB LYS 96 HB1 LYS 96 -1.735 -4.655 -1.744 763 1HG LYS 96 HG1 LYS 96 -1.752 -7.195 -0.369 764 2HG LYS 96 HG2 LYS 96 -3.181 -6.235 0.019 765 1HD LYS 96 HD1 LYS 96 -2.365 -6.345 -2.826 766 2HD LYS 96 HD2 LYS 96 -3.044 -7.817 -2.128 767 1HE LYS 96 HE2 LYS 96 -5.109 -6.967 -2.087 768 2HE LYS 96 HE1 LYS 96 -4.552 -5.437 -1.412 769 1HZ LYS 96 HZ1 LYS 96 -3.757 -5.679 -4.121 770 2HZ LYS 96 HZ2 LYS 96 -4.710 -4.488 -3.392 771 3HZ LYS 96 HZ3 LYS 96 -5.428 -5.899 -3.985 772 H VAL 97 HN VAL 97 1.128 -6.866 1.006 773 HA VAL 97 HA VAL 97 1.962 -8.914 -0.751 774 HB VAL 97 HB VAL 97 1.485 -9.236 2.209 775 1HG1 VAL 97 HG2 VAL 97 3.371 -10.822 2.027 776 2HG1 VAL 97 HG2 VAL 97 3.376 -10.576 0.281 777 3HG1 VAL 97 HG2 VAL 97 1.974 -11.303 1.067 778 1HG2 VAL 97 HG1 VAL 97 3.190 -7.369 0.937 779 2HG2 VAL 97 HG1 VAL 97 4.204 -8.636 1.629 780 3HG2 VAL 97 HG1 VAL 97 3.071 -7.754 2.655 781 H LYS 98 HN LYS 98 0.765 -10.397 -1.736 782 HA LYS 98 HA LYS 98 -1.968 -10.870 -0.897 783 1HB LYS 98 HB2 LYS 98 -1.125 -10.623 -3.324 784 2HB LYS 98 HB1 LYS 98 -0.560 -12.279 -3.153 785 1HG LYS 98 HG2 LYS 98 -2.583 -13.057 -3.591 786 2HG LYS 98 HG1 LYS 98 -3.272 -12.112 -2.269 787 1HD LYS 98 HD1 LYS 98 -4.411 -11.112 -3.941 788 2HD LYS 98 HD2 LYS 98 -2.927 -10.171 -4.104 789 1HE LYS 98 HE1 LYS 98 -2.139 -11.650 -5.848 790 2HE LYS 98 HE2 LYS 98 -3.550 -12.688 -5.643 791 1HZ LYS 98 HZ1 LYS 98 -3.283 -10.414 -7.260 792 2HZ LYS 98 HZ2 LYS 98 -4.456 -10.085 -6.085 793 3HZ LYS 98 HZ3 LYS 98 -4.623 -11.433 -7.093 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -11.299 15.056 10.993 2 2H GLY 1 HT2 GLY 1 -10.573 13.796 11.857 3 3H GLY 1 HT3 GLY 1 -12.248 14.022 11.936 4 1HA GLY 1 HA1 GLY 1 -10.762 13.304 9.470 5 2HA GLY 1 HA2 GLY 1 -11.601 12.147 10.491 6 H SER 2 HN SER 2 -11.869 13.765 7.701 7 HA SER 2 HA SER 2 -14.790 14.072 7.917 8 1HB SER 2 HB2 SER 2 -13.400 15.188 5.551 9 2HB SER 2 HB1 SER 2 -14.704 15.873 6.521 10 HG SER 2 HG SER 2 -12.034 16.291 6.689 11 H SER 3 HN SER 3 -15.905 12.452 7.084 12 HA SER 3 HA SER 3 -15.008 11.251 4.565 13 1HB SER 3 HB2 SER 3 -14.244 9.712 6.283 14 2HB SER 3 HB1 SER 3 -15.841 9.706 7.034 15 HG SER 3 HG SER 3 -15.741 7.904 5.771 16 H HIS 4 HN HIS 4 -16.632 12.304 3.448 17 HA HIS 4 HA HIS 4 -19.392 11.591 4.191 18 1HB HIS 4 HB1 HIS 4 -18.583 14.075 4.043 19 2HB HIS 4 HB2 HIS 4 -18.730 13.829 2.306 20 HD2 HIS 4 HD2 HIS 4 -20.746 15.957 3.241 21 HE1 HIS 4 HE1 HIS 4 -23.589 12.843 3.621 22 HE2 HIS 4 HE2 HIS 4 -23.261 15.352 3.448 23 H HIS 5 HN HIS 5 -17.879 9.718 2.834 24 HA HIS 5 HA HIS 5 -18.469 9.917 0.004 25 1HB HIS 5 HB2 HIS 5 -16.428 8.749 1.249 26 2HB HIS 5 HB1 HIS 5 -17.526 7.372 1.244 27 HD2 HIS 5 HD2 HIS 5 -16.190 5.918 -0.643 28 HE1 HIS 5 HE1 HIS 5 -16.511 8.805 -3.723 29 HE2 HIS 5 HE2 HIS 5 -15.833 6.426 -3.163 30 H HIS 6 HN HIS 6 -20.230 9.148 -0.967 31 HA HIS 6 HA HIS 6 -21.811 7.071 0.375 32 1HB HIS 6 HB2 HIS 6 -23.884 8.357 -0.417 33 2HB HIS 6 HB1 HIS 6 -23.029 8.996 0.983 34 HD2 HIS 6 HD2 HIS 6 -23.195 9.767 -2.884 35 HE1 HIS 6 HE1 HIS 6 -22.290 13.290 -0.721 36 HE2 HIS 6 HE2 HIS 6 -22.776 12.323 -3.016 37 H HIS 7 HN HIS 7 -19.968 7.275 -2.007 38 HA HIS 7 HA HIS 7 -21.863 6.358 -4.067 39 1HB HIS 7 HB1 HIS 7 -19.658 8.196 -4.189 40 2HB HIS 7 HB2 HIS 7 -19.328 6.820 -5.237 41 HD2 HIS 7 HD2 HIS 7 -21.699 6.287 -6.992 42 HE1 HIS 7 HE1 HIS 7 -22.434 10.451 -7.195 43 HE2 HIS 7 HE2 HIS 7 -22.933 8.197 -8.244 44 H HIS 8 HN HIS 8 -21.944 4.219 -4.165 45 HA HIS 8 HA HIS 8 -19.640 2.620 -3.384 46 1HB HIS 8 HB2 HIS 8 -22.303 2.260 -2.966 47 2HB HIS 8 HB1 HIS 8 -22.061 1.260 -4.393 48 HD2 HIS 8 HD2 HIS 8 -19.315 -0.210 -3.741 49 HE1 HIS 8 HE1 HIS 8 -21.121 -1.193 -0.041 50 HE2 HIS 8 HE2 HIS 8 -19.248 -1.754 -1.657 51 H HIS 9 HN HIS 9 -21.461 3.490 -6.235 52 HA HIS 9 HA HIS 9 -19.660 1.817 -7.860 53 1HB HIS 9 HB1 HIS 9 -21.591 2.347 -9.621 54 2HB HIS 9 HB2 HIS 9 -21.700 0.994 -8.499 55 HD2 HIS 9 HD2 HIS 9 -23.831 1.027 -6.837 56 HE1 HIS 9 HE1 HIS 9 -25.115 4.954 -7.761 57 HE2 HIS 9 HE2 HIS 9 -25.677 2.821 -6.508 58 H SER 10 HN SER 10 -18.366 3.931 -7.231 59 HA SER 10 HA SER 10 -18.914 6.304 -8.678 60 1HB SER 10 HB2 SER 10 -16.882 5.343 -6.866 61 2HB SER 10 HB1 SER 10 -16.137 6.191 -8.221 62 HG SER 10 HG SER 10 -18.314 7.260 -6.764 63 H SER 11 HN SER 11 -18.246 7.008 -10.646 64 HA SER 11 HA SER 11 -17.671 5.114 -12.642 65 1HB SER 11 HB2 SER 11 -18.789 7.057 -13.364 66 2HB SER 11 HB1 SER 11 -17.627 8.124 -12.578 67 HG SER 11 HG SER 11 -17.525 7.729 -14.993 68 H GLY 12 HN GLY 12 -15.595 7.872 -11.726 69 1HA GLY 12 HA1 GLY 12 -13.290 6.719 -12.927 70 2HA GLY 12 HA2 GLY 12 -13.316 8.136 -11.889 71 H LEU 13 HN LEU 13 -13.213 4.616 -11.923 72 HA LEU 13 HA LEU 13 -12.801 4.281 -9.140 73 1HB LEU 13 HB1 LEU 13 -12.571 2.597 -11.566 74 2HB LEU 13 HB2 LEU 13 -11.651 2.075 -10.168 75 HG LEU 13 HG LEU 13 -14.518 2.738 -9.740 76 1HD1 LEU 13 HD1 LEU 13 -13.912 -0.007 -10.683 77 2HD1 LEU 13 HD1 LEU 13 -14.077 1.260 -11.899 78 3HD1 LEU 13 HD1 LEU 13 -15.404 0.925 -10.788 79 1HD2 LEU 13 HD2 LEU 13 -12.695 1.896 -8.059 80 2HD2 LEU 13 HD2 LEU 13 -13.084 0.320 -8.749 81 3HD2 LEU 13 HD2 LEU 13 -14.346 1.280 -7.976 82 H VAL 14 HN VAL 14 -10.430 3.580 -11.701 83 HA VAL 14 HA VAL 14 -8.192 3.670 -10.040 84 HB VAL 14 HB VAL 14 -8.221 4.260 -13.000 85 1HG1 VAL 14 HG1 VAL 14 -5.984 2.763 -11.889 86 2HG1 VAL 14 HG1 VAL 14 -6.133 4.384 -11.211 87 3HG1 VAL 14 HG1 VAL 14 -5.990 4.168 -12.956 88 1HG2 VAL 14 HG2 VAL 14 -9.403 2.129 -12.209 89 2HG2 VAL 14 HG2 VAL 14 -7.795 1.560 -11.761 90 3HG2 VAL 14 HG2 VAL 14 -8.152 1.963 -13.440 91 HA PRO 15 HA PRO 15 -7.577 8.266 -11.777 92 1HB PRO 15 HB2 PRO 15 -10.456 9.014 -11.779 93 2HB PRO 15 HB1 PRO 15 -9.160 9.514 -12.873 94 1HG PRO 15 HG2 PRO 15 -10.983 7.745 -13.658 95 2HG PRO 15 HG1 PRO 15 -9.280 7.556 -14.116 96 1HD PRO 15 HD1 PRO 15 -10.854 6.113 -12.021 97 2HD PRO 15 HD2 PRO 15 -9.613 5.492 -13.128 98 H ARG 16 HN ARG 16 -8.590 10.478 -10.697 99 HA ARG 16 HA ARG 16 -8.179 10.087 -7.907 100 1HB ARG 16 HB1 ARG 16 -9.204 12.623 -9.166 101 2HB ARG 16 HB2 ARG 16 -8.223 12.444 -7.717 102 1HG ARG 16 HG1 ARG 16 -7.179 11.602 -10.393 103 2HG ARG 16 HG2 ARG 16 -7.104 13.286 -9.869 104 1HD ARG 16 HD1 ARG 16 -5.915 12.533 -7.819 105 2HD ARG 16 HD2 ARG 16 -5.886 10.901 -8.485 106 HE ARG 16 HE ARG 16 -4.168 13.066 -9.181 107 1HH1 ARG 16 HH1 ARG 16 -5.717 10.209 -10.439 108 2HH1 ARG 16 HH1 ARG 16 -4.527 9.951 -11.670 109 1HH2 ARG 16 HH2 ARG 16 -2.598 12.732 -10.798 110 2HH2 ARG 16 HH2 ARG 16 -2.755 11.384 -11.875 111 H GLY 17 HN GLY 17 -10.699 8.972 -9.249 112 1HA GLY 17 HA1 GLY 17 -12.848 10.387 -7.934 113 2HA GLY 17 HA2 GLY 17 -12.986 8.896 -8.854 114 H SER 18 HN SER 18 -13.130 7.005 -7.792 115 HA SER 18 HA SER 18 -13.381 7.080 -4.917 116 1HB SER 18 HB1 SER 18 -14.811 5.736 -6.640 117 2HB SER 18 HB2 SER 18 -13.503 4.557 -6.542 118 HG SER 18 HG SER 18 -15.512 4.801 -4.899 119 H HIS 19 HN HIS 19 -10.706 7.540 -6.021 120 HA HIS 19 HA HIS 19 -8.942 5.498 -6.070 121 1HB HIS 19 HB2 HIS 19 -7.249 7.022 -5.181 122 2HB HIS 19 HB1 HIS 19 -8.310 7.863 -6.307 123 HD2 HIS 19 HD2 HIS 19 -9.944 9.826 -5.202 124 HE1 HIS 19 HE1 HIS 19 -8.117 9.682 -1.386 125 HE2 HIS 19 HE2 HIS 19 -9.714 10.965 -2.880 126 H MET 20 HN MET 20 -10.485 6.782 -3.167 127 HA MET 20 HA MET 20 -8.921 5.420 -1.268 128 1HB MET 20 HB2 MET 20 -10.989 7.224 -1.171 129 2HB MET 20 HB1 MET 20 -11.752 5.761 -0.564 130 1HG MET 20 HG2 MET 20 -9.115 6.369 0.578 131 2HG MET 20 HG1 MET 20 -10.393 7.523 0.958 132 1HE MET 20 HE1 MET 20 -13.069 5.438 2.691 133 2HE MET 20 HE2 MET 20 -12.786 6.632 1.425 134 3HE MET 20 HE3 MET 20 -12.216 6.935 3.066 135 H ALA 21 HN ALA 21 -8.578 3.288 -1.718 136 HA ALA 21 HA ALA 21 -10.570 1.481 -2.588 137 1HB ALA 21 HB1 ALA 21 -7.788 1.414 -2.134 138 2HB ALA 21 HB2 ALA 21 -8.792 0.210 -2.943 139 3HB ALA 21 HB3 ALA 21 -8.499 0.093 -1.208 140 H LYS 22 HN LYS 22 -11.463 -0.324 -1.432 141 HA LYS 22 HA LYS 22 -12.227 0.408 1.284 142 1HB LYS 22 HB2 LYS 22 -13.685 -1.784 0.860 143 2HB LYS 22 HB1 LYS 22 -14.169 -0.207 0.252 144 1HG LYS 22 HG2 LYS 22 -13.890 -0.802 -1.891 145 2HG LYS 22 HG1 LYS 22 -12.435 -1.741 -1.551 146 1HD LYS 22 HD1 LYS 22 -13.786 -3.576 -0.709 147 2HD LYS 22 HD2 LYS 22 -15.256 -2.633 -0.956 148 1HE LYS 22 HE1 LYS 22 -14.344 -2.485 -3.422 149 2HE LYS 22 HE2 LYS 22 -13.481 -3.950 -2.953 150 1HZ LYS 22 HZ1 LYS 22 -15.612 -4.459 -3.971 151 2HZ LYS 22 HZ2 LYS 22 -16.421 -3.553 -2.793 152 3HZ LYS 22 HZ3 LYS 22 -15.590 -4.960 -2.355 153 H TYR 23 HN TYR 23 -9.543 -0.552 0.777 154 HA TYR 23 HA TYR 23 -9.550 -3.205 2.019 155 1HB TYR 23 HB2 TYR 23 -7.718 -1.737 0.258 156 2HB TYR 23 HB1 TYR 23 -6.909 -2.570 1.582 157 HD1 TYR 23 HD1 TYR 23 -8.102 -2.902 -1.697 158 HD2 TYR 23 HD2 TYR 23 -7.680 -5.079 1.934 159 HE1 TYR 23 HE1 TYR 23 -8.230 -5.010 -2.954 160 HE2 TYR 23 HE2 TYR 23 -7.808 -7.194 0.686 161 HH TYR 23 HH TYR 23 -7.221 -7.794 -1.982 162 H GLN 24 HN GLN 24 -8.168 -3.637 3.845 163 HA GLN 24 HA GLN 24 -8.150 -1.405 5.718 164 1HB GLN 24 HB1 GLN 24 -8.917 -3.961 6.064 165 2HB GLN 24 HB2 GLN 24 -7.238 -4.099 6.566 166 1HG GLN 24 HG1 GLN 24 -8.122 -1.834 7.872 167 2HG GLN 24 HG2 GLN 24 -9.501 -2.931 7.944 168 1HE2 GLN 24 HE2 GLN 24 -7.605 -1.961 10.016 169 2HE2 GLN 24 HE2 GLN 24 -6.984 -3.390 10.760 170 H VAL 25 HN VAL 25 -6.395 -0.152 5.350 171 HA VAL 25 HA VAL 25 -3.850 -1.071 4.575 172 HB VAL 25 HB VAL 25 -4.504 1.483 6.054 173 1HG1 VAL 25 HG2 VAL 25 -2.186 0.865 4.226 174 2HG1 VAL 25 HG2 VAL 25 -2.100 0.856 5.988 175 3HG1 VAL 25 HG2 VAL 25 -2.462 2.353 5.131 176 1HG2 VAL 25 HG1 VAL 25 -4.079 1.843 3.253 177 2HG2 VAL 25 HG1 VAL 25 -5.503 2.231 4.218 178 3HG2 VAL 25 HG1 VAL 25 -5.335 0.630 3.498 179 H THR 26 HN THR 26 -1.937 -1.370 5.748 180 HA THR 26 HA THR 26 -2.338 -1.865 8.622 181 HB THR 26 HB THR 26 -0.053 -3.202 7.359 182 HG1 THR 26 HG1 THR 26 -1.874 -4.789 6.600 183 1HG2 THR 26 HG2 THR 26 -0.537 -4.927 8.749 184 2HG2 THR 26 HG2 THR 26 -2.277 -4.663 8.659 185 3HG2 THR 26 HG2 THR 26 -1.276 -3.605 9.652 186 H LYS 27 HN LYS 27 0.357 -1.220 6.344 187 HA LYS 27 HA LYS 27 1.524 0.500 8.436 188 1HB LYS 27 HB2 LYS 27 2.622 -1.730 7.132 189 2HB LYS 27 HB1 LYS 27 3.435 -0.334 6.439 190 1HG LYS 27 HG2 LYS 27 3.269 -0.073 9.294 191 2HG LYS 27 HG1 LYS 27 4.001 -1.617 8.852 192 1HD LYS 27 HD2 LYS 27 4.966 0.664 7.288 193 2HD LYS 27 HD1 LYS 27 5.332 0.759 9.013 194 1HE LYS 27 HE1 LYS 27 6.841 -0.890 8.900 195 2HE LYS 27 HE2 LYS 27 5.815 -1.879 7.863 196 1HZ LYS 27 HZ1 LYS 27 7.536 0.377 6.990 197 2HZ LYS 27 HZ2 LYS 27 6.499 -0.495 5.977 198 3HZ LYS 27 HZ3 LYS 27 7.817 -1.267 6.705 199 H THR 28 HN THR 28 2.847 2.297 7.700 200 HA THR 28 HA THR 28 2.203 3.286 5.016 201 HB THR 28 HB THR 28 2.004 5.000 7.499 202 HG1 THR 28 HG1 THR 28 -0.096 4.664 7.483 203 1HG2 THR 28 HG2 THR 28 2.500 5.921 5.059 204 2HG2 THR 28 HG2 THR 28 1.468 6.769 6.211 205 3HG2 THR 28 HG2 THR 28 0.747 5.775 4.946 206 H LEU 29 HN LEU 29 4.168 3.388 4.092 207 HA LEU 29 HA LEU 29 6.409 4.396 5.701 208 1HB LEU 29 HB1 LEU 29 6.502 2.115 4.547 209 2HB LEU 29 HB2 LEU 29 6.618 3.005 3.040 210 HG LEU 29 HG LEU 29 8.551 3.718 5.175 211 1HD1 LEU 29 HD1 LEU 29 8.858 1.218 3.522 212 2HD1 LEU 29 HD1 LEU 29 8.462 1.244 5.240 213 3HD1 LEU 29 HD1 LEU 29 10.012 1.874 4.683 214 1HD2 LEU 29 HD2 LEU 29 9.091 4.928 3.354 215 2HD2 LEU 29 HD2 LEU 29 8.329 3.792 2.240 216 3HD2 LEU 29 HD2 LEU 29 9.937 3.453 2.883 217 H ASP 30 HN ASP 30 6.794 6.482 5.443 218 HA ASP 30 HA ASP 30 6.787 7.588 2.722 219 1HB ASP 30 HB2 ASP 30 6.032 9.780 4.048 220 2HB ASP 30 HB1 ASP 30 4.862 8.638 3.392 221 H VAL 31 HN VAL 31 8.880 7.980 2.351 222 HA VAL 31 HA VAL 31 10.360 9.565 4.330 223 HB VAL 31 HB VAL 31 11.820 7.396 2.882 224 1HG1 VAL 31 HG2 VAL 31 12.976 7.556 5.265 225 2HG1 VAL 31 HG2 VAL 31 12.243 9.160 5.229 226 3HG1 VAL 31 HG2 VAL 31 13.365 8.673 3.957 227 1HG2 VAL 31 HG1 VAL 31 11.473 5.888 4.802 228 2HG2 VAL 31 HG1 VAL 31 9.984 6.206 3.912 229 3HG2 VAL 31 HG1 VAL 31 10.283 7.018 5.448 230 H ARG 32 HN ARG 32 9.680 11.192 2.674 231 HA ARG 32 HA ARG 32 10.649 11.203 0.052 232 1HB ARG 32 HB2 ARG 32 8.999 12.817 1.319 233 2HB ARG 32 HB1 ARG 32 10.462 13.754 1.597 234 1HG ARG 32 HG2 ARG 32 10.022 12.870 -1.176 235 2HG ARG 32 HG1 ARG 32 8.868 14.048 -0.548 236 1HD ARG 32 HD1 ARG 32 11.369 14.960 0.286 237 2HD ARG 32 HD2 ARG 32 11.608 14.417 -1.375 238 HE ARG 32 HE ARG 32 9.326 16.151 -0.875 239 1HH1 ARG 32 HH1 ARG 32 12.606 15.830 -2.012 240 2HH1 ARG 32 HH1 ARG 32 12.576 17.315 -2.903 241 1HH2 ARG 32 HH2 ARG 32 9.282 18.106 -2.046 242 2HH2 ARG 32 HH2 ARG 32 10.688 18.608 -2.923 243 H GLY 33 HN GLY 33 11.888 13.650 2.221 244 1HA GLY 33 HA2 GLY 33 14.530 13.377 1.077 245 2HA GLY 33 HA1 GLY 33 14.022 14.574 2.260 246 H GLU 34 HN GLU 34 15.510 11.516 1.750 247 HA GLU 34 HA GLU 34 15.545 10.870 4.590 248 1HB GLU 34 HB2 GLU 34 16.371 8.749 3.977 249 2HB GLU 34 HB1 GLU 34 15.198 9.155 2.732 250 1HG GLU 34 HG2 GLU 34 16.859 9.594 1.145 251 2HG GLU 34 HG1 GLU 34 18.122 9.696 2.370 252 H VAL 35 HN VAL 35 17.615 10.237 5.599 253 HA VAL 35 HA VAL 35 19.930 11.692 4.566 254 HB VAL 35 HB VAL 35 19.993 11.878 7.387 255 1HG1 VAL 35 HG2 VAL 35 21.208 13.578 6.638 256 2HG1 VAL 35 HG2 VAL 35 19.695 14.423 6.311 257 3HG1 VAL 35 HG2 VAL 35 20.467 13.477 5.040 258 1HG2 VAL 35 HG1 VAL 35 17.873 13.697 6.642 259 2HG2 VAL 35 HG1 VAL 35 17.994 12.622 8.034 260 3HG2 VAL 35 HG1 VAL 35 17.377 12.013 6.499 261 H CYS 36 HN CYS 36 19.683 10.272 7.724 262 HA CYS 36 HA CYS 36 21.986 8.694 7.426 263 1HB CYS 36 HB2 CYS 36 19.834 8.053 9.426 264 2HB CYS 36 HB1 CYS 36 21.580 7.926 9.605 265 HG CYS 36 HG CYS 36 20.353 10.759 9.427 266 HA PRO 37 HA PRO 37 20.430 5.047 5.477 267 1HB PRO 37 HB2 PRO 37 22.153 3.177 6.337 268 2HB PRO 37 HB1 PRO 37 22.663 4.486 5.265 269 1HG PRO 37 HG1 PRO 37 22.982 4.233 8.234 270 2HG PRO 37 HG2 PRO 37 24.160 4.781 7.027 271 1HD PRO 37 HD1 PRO 37 22.687 6.482 8.578 272 2HD PRO 37 HD2 PRO 37 23.288 6.904 6.962 273 H VAL 38 HN VAL 38 19.567 5.723 8.432 274 HA VAL 38 HA VAL 38 19.114 3.248 9.711 275 HB VAL 38 HB VAL 38 17.512 5.780 10.068 276 1HG1 VAL 38 HG2 VAL 38 18.026 3.546 12.025 277 2HG1 VAL 38 HG2 VAL 38 16.572 3.672 11.033 278 3HG1 VAL 38 HG2 VAL 38 16.939 4.921 12.223 279 1HG2 VAL 38 HG1 VAL 38 19.652 6.521 10.490 280 2HG2 VAL 38 HG1 VAL 38 20.194 4.952 11.085 281 3HG2 VAL 38 HG1 VAL 38 19.152 5.963 12.086 282 HA PRO 39 HA PRO 39 14.616 3.486 7.878 283 1HB PRO 39 HB2 PRO 39 14.921 5.246 5.539 284 2HB PRO 39 HB1 PRO 39 13.670 5.242 6.785 285 1HG PRO 39 HG1 PRO 39 15.521 7.181 6.654 286 2HG PRO 39 HG2 PRO 39 14.894 6.590 8.205 287 1HD PRO 39 HD2 PRO 39 17.482 5.950 6.837 288 2HD PRO 39 HD1 PRO 39 17.165 6.268 8.557 289 H ASP 40 HN ASP 40 17.506 3.579 5.952 290 HA ASP 40 HA ASP 40 16.590 2.185 3.684 291 1HB ASP 40 HB1 ASP 40 19.122 3.099 4.740 292 2HB ASP 40 HB2 ASP 40 19.285 1.489 4.045 293 H VAL 41 HN VAL 41 18.456 0.975 6.474 294 HA VAL 41 HA VAL 41 18.205 -1.751 5.750 295 HB VAL 41 HB VAL 41 18.697 -0.726 8.539 296 1HG1 VAL 41 HG2 VAL 41 20.258 -2.859 8.328 297 2HG1 VAL 41 HG2 VAL 41 19.053 -3.310 7.122 298 3HG1 VAL 41 HG2 VAL 41 18.559 -2.988 8.784 299 1HG2 VAL 41 HG1 VAL 41 20.721 0.037 7.993 300 2HG2 VAL 41 HG1 VAL 41 20.172 -0.011 6.317 301 3HG2 VAL 41 HG1 VAL 41 21.067 -1.372 6.991 302 H GLU 42 HN GLU 42 16.173 0.438 7.517 303 HA GLU 42 HA GLU 42 14.639 -1.423 8.967 304 1HB GLU 42 HB1 GLU 42 14.610 0.997 9.417 305 2HB GLU 42 HB2 GLU 42 13.813 1.274 7.874 306 1HG GLU 42 HG2 GLU 42 11.821 0.877 8.751 307 2HG GLU 42 HG1 GLU 42 12.360 -0.660 9.426 308 H THR 43 HN THR 43 13.762 0.287 5.956 309 HA THR 43 HA THR 43 11.487 -1.254 5.417 310 HB THR 43 HB THR 43 11.869 0.897 4.343 311 HG1 THR 43 HG1 THR 43 11.660 -1.341 2.640 312 1HG2 THR 43 HG2 THR 43 14.423 -0.129 3.725 313 2HG2 THR 43 HG2 THR 43 13.773 1.477 3.400 314 3HG2 THR 43 HG2 THR 43 13.587 0.193 2.206 315 H LYS 44 HN LYS 44 14.857 -1.839 4.842 316 HA LYS 44 HA LYS 44 14.694 -3.780 2.827 317 1HB LYS 44 HB1 LYS 44 16.741 -2.591 4.068 318 2HB LYS 44 HB2 LYS 44 16.735 -4.101 4.970 319 1HG LYS 44 HG2 LYS 44 18.183 -4.635 3.296 320 2HG LYS 44 HG1 LYS 44 16.663 -5.157 2.565 321 1HD LYS 44 HD1 LYS 44 16.598 -2.710 1.652 322 2HD LYS 44 HD2 LYS 44 18.335 -2.758 1.958 323 1HE LYS 44 HE1 LYS 44 17.291 -3.500 -0.365 324 2HE LYS 44 HE2 LYS 44 18.728 -4.270 0.308 325 1HZ LYS 44 HZ1 LYS 44 17.523 -6.123 0.969 326 2HZ LYS 44 HZ2 LYS 44 16.853 -5.756 -0.541 327 3HZ LYS 44 HZ3 LYS 44 16.031 -5.329 0.874 328 H ARG 45 HN ARG 45 14.591 -4.088 6.360 329 HA ARG 45 HA ARG 45 14.398 -6.901 6.426 330 1HB ARG 45 HB1 ARG 45 14.985 -5.385 8.347 331 2HB ARG 45 HB2 ARG 45 13.276 -4.994 8.471 332 1HG ARG 45 HG2 ARG 45 13.883 -7.864 8.448 333 2HG ARG 45 HG1 ARG 45 14.510 -6.976 9.840 334 1HD ARG 45 HD2 ARG 45 12.108 -5.960 9.912 335 2HD ARG 45 HD1 ARG 45 11.684 -7.388 8.966 336 HE ARG 45 HE ARG 45 12.597 -8.718 10.838 337 1HH1 ARG 45 HH1 ARG 45 11.622 -5.420 11.402 338 2HH1 ARG 45 HH1 ARG 45 11.334 -5.660 13.093 339 1HH2 ARG 45 HH2 ARG 45 12.220 -9.042 13.063 340 2HH2 ARG 45 HH2 ARG 45 11.674 -7.718 14.036 341 H ALA 46 HN ALA 46 12.037 -4.354 6.033 342 HA ALA 46 HA ALA 46 9.695 -5.792 6.568 343 1HB ALA 46 HB1 ALA 46 8.747 -4.090 4.800 344 2HB ALA 46 HB2 ALA 46 10.339 -3.356 4.987 345 3HB ALA 46 HB3 ALA 46 9.286 -3.550 6.389 346 H LEU 47 HN LEU 47 11.618 -5.503 3.623 347 HA LEU 47 HA LEU 47 9.809 -6.905 1.940 348 1HB LEU 47 HB2 LEU 47 12.745 -6.928 1.421 349 2HB LEU 47 HB1 LEU 47 11.421 -6.735 0.290 350 HG LEU 47 HG LEU 47 12.481 -4.664 2.199 351 1HD1 LEU 47 HD1 LEU 47 13.448 -5.428 -0.251 352 2HD1 LEU 47 HD1 LEU 47 13.717 -3.867 0.524 353 3HD1 LEU 47 HD1 LEU 47 12.410 -4.058 -0.644 354 1HD2 LEU 47 HD2 LEU 47 10.689 -3.368 1.845 355 2HD2 LEU 47 HD2 LEU 47 9.884 -4.861 1.360 356 3HD2 LEU 47 HD2 LEU 47 10.597 -3.807 0.139 357 H GLN 48 HN GLN 48 12.440 -7.864 4.044 358 HA GLN 48 HA GLN 48 12.455 -10.595 3.118 359 1HB GLN 48 HB1 GLN 48 14.101 -8.929 4.809 360 2HB GLN 48 HB2 GLN 48 13.752 -10.456 5.608 361 1HG GLN 48 HG1 GLN 48 14.464 -11.539 3.392 362 2HG GLN 48 HG2 GLN 48 15.174 -9.968 3.022 363 1HE2 GLN 48 HE2 GLN 48 16.306 -12.698 3.610 364 2HE2 GLN 48 HE2 GLN 48 17.491 -12.414 4.835 365 H ASN 49 HN ASN 49 10.544 -8.783 5.221 366 HA ASN 49 HA ASN 49 9.440 -11.246 6.372 367 1HB ASN 49 HB2 ASN 49 10.941 -9.933 7.992 368 2HB ASN 49 HB1 ASN 49 9.669 -8.713 7.991 369 1HD2 ASN 49 HD2 ASN 49 10.532 -11.959 8.893 370 2HD2 ASN 49 HD2 ASN 49 9.216 -12.221 9.980 371 H MET 50 HN MET 50 8.006 -10.762 4.460 372 HA MET 50 HA MET 50 6.047 -8.654 5.011 373 1HB MET 50 HB2 MET 50 5.964 -10.380 2.566 374 2HB MET 50 HB1 MET 50 5.464 -8.706 2.766 375 1HG MET 50 HG1 MET 50 7.629 -7.904 2.614 376 2HG MET 50 HG2 MET 50 8.342 -9.473 2.978 377 1HE MET 50 HE1 MET 50 8.376 -7.023 0.757 378 2HE MET 50 HE2 MET 50 6.871 -7.235 -0.137 379 3HE MET 50 HE3 MET 50 8.409 -7.667 -0.884 380 H LYS 51 HN LYS 51 4.117 -9.098 5.848 381 HA LYS 51 HA LYS 51 3.385 -11.834 6.410 382 1HB LYS 51 HB1 LYS 51 1.980 -9.225 7.019 383 2HB LYS 51 HB2 LYS 51 1.451 -10.801 7.588 384 1HG LYS 51 HG1 LYS 51 2.873 -10.759 9.290 385 2HG LYS 51 HG2 LYS 51 4.224 -10.321 8.242 386 1HD LYS 51 HD1 LYS 51 4.048 -8.519 9.719 387 2HD LYS 51 HD2 LYS 51 3.220 -7.959 8.265 388 1HE LYS 51 HE1 LYS 51 1.596 -9.337 10.330 389 2HE LYS 51 HE2 LYS 51 2.163 -7.707 10.691 390 1HZ LYS 51 HZ1 LYS 51 0.336 -7.087 9.591 391 2HZ LYS 51 HZ2 LYS 51 0.146 -8.581 8.823 392 3HZ LYS 51 HZ3 LYS 51 1.217 -7.436 8.190 393 HA PRO 52 HA PRO 52 0.709 -12.611 2.994 394 1HB PRO 52 HB2 PRO 52 -1.335 -13.960 4.250 395 2HB PRO 52 HB1 PRO 52 0.206 -14.687 3.784 396 1HG PRO 52 HG1 PRO 52 -0.675 -13.649 6.447 397 2HG PRO 52 HG2 PRO 52 0.254 -15.111 6.064 398 1HD PRO 52 HD1 PRO 52 1.444 -12.894 7.000 399 2HD PRO 52 HD2 PRO 52 2.233 -13.934 5.795 400 H GLY 53 HN GLY 53 -0.542 -11.027 5.848 401 1HA GLY 53 HA1 GLY 53 -2.818 -10.005 4.279 402 2HA GLY 53 HA2 GLY 53 -2.752 -10.048 6.033 403 H GLU 54 HN GLU 54 -0.229 -8.881 3.803 404 HA GLU 54 HA GLU 54 -0.220 -6.379 5.294 405 1HB GLU 54 HB2 GLU 54 1.688 -7.619 3.334 406 2HB GLU 54 HB1 GLU 54 1.815 -5.920 3.778 407 1HG GLU 54 HG2 GLU 54 1.815 -6.777 6.204 408 2HG GLU 54 HG1 GLU 54 2.198 -8.341 5.488 409 H ILE 55 HN ILE 55 -1.156 -4.601 4.641 410 HA ILE 55 HA ILE 55 -1.523 -4.086 1.770 411 HB ILE 55 HB ILE 55 -3.689 -3.141 3.566 412 1HG1 ILE 55 HG1 ILE 55 -3.284 -5.578 4.170 413 2HG1 ILE 55 HG1 ILE 55 -4.905 -5.184 3.610 414 1HG2 ILE 55 HG2 ILE 55 -4.165 -2.460 1.467 415 2HG2 ILE 55 HG2 ILE 55 -4.902 -4.059 1.364 416 3HG2 ILE 55 HG2 ILE 55 -3.285 -3.791 0.714 417 1HD1 ILE 55 HD1 ILE 55 -2.786 -6.329 1.818 418 2HD1 ILE 55 HD1 ILE 55 -4.514 -6.181 1.503 419 3HD1 ILE 55 HD1 ILE 55 -3.936 -7.314 2.724 420 H LEU 56 HN LEU 56 0.311 -2.653 2.055 421 HA LEU 56 HA LEU 56 -0.323 -0.266 3.656 422 1HB LEU 56 HB1 LEU 56 2.326 -0.059 3.414 423 2HB LEU 56 HB2 LEU 56 1.549 -0.922 4.727 424 HG LEU 56 HG LEU 56 1.869 -2.747 2.586 425 1HD1 LEU 56 HD1 LEU 56 4.464 -2.660 2.670 426 2HD1 LEU 56 HD1 LEU 56 4.218 -0.959 3.062 427 3HD1 LEU 56 HD1 LEU 56 3.597 -1.613 1.546 428 1HD2 LEU 56 HD2 LEU 56 3.014 -2.400 5.329 429 2HD2 LEU 56 HD2 LEU 56 3.500 -3.746 4.298 430 3HD2 LEU 56 HD2 LEU 56 1.809 -3.558 4.765 431 H GLU 57 HN GLU 57 1.272 1.589 2.922 432 HA GLU 57 HA GLU 57 1.287 1.802 -0.003 433 1HB GLU 57 HB2 GLU 57 0.348 4.061 0.100 434 2HB GLU 57 HB1 GLU 57 -0.777 2.888 0.771 435 1HG GLU 57 HG1 GLU 57 0.110 3.526 3.046 436 2HG GLU 57 HG2 GLU 57 0.932 4.865 2.247 437 H VAL 58 HN VAL 58 2.915 3.129 -0.834 438 HA VAL 58 HA VAL 58 4.878 4.073 1.153 439 HB VAL 58 HB VAL 58 5.602 3.167 -1.622 440 1HG1 VAL 58 HG2 VAL 58 7.501 4.150 -0.948 441 2HG1 VAL 58 HG2 VAL 58 7.722 2.687 0.013 442 3HG1 VAL 58 HG2 VAL 58 7.025 4.129 0.751 443 1HG2 VAL 58 HG1 VAL 58 5.187 1.058 -1.054 444 2HG2 VAL 58 HG1 VAL 58 4.735 1.535 0.583 445 3HG2 VAL 58 HG1 VAL 58 6.424 1.204 0.194 446 H TRP 59 HN TRP 59 5.603 6.114 0.996 447 HA TRP 59 HA TRP 59 4.847 7.655 -1.401 448 1HB TRP 59 HB1 TRP 59 3.536 8.184 0.702 449 2HB TRP 59 HB2 TRP 59 5.040 8.782 1.395 450 HD1 TRP 59 HD1 TRP 59 3.674 9.434 -2.174 451 HE1 TRP 59 HE1 TRP 59 3.477 11.980 -2.494 452 HE3 TRP 59 HE3 TRP 59 5.012 10.950 2.522 453 HZ2 TRP 59 HZ2 TRP 59 3.839 14.322 -0.958 454 HZ3 TRP 59 HZ3 TRP 59 5.060 13.359 3.014 455 HH2 TRP 59 HH2 TRP 59 4.486 15.009 1.309 456 H ILE 60 HN ILE 60 6.767 7.634 -2.467 457 HA ILE 60 HA ILE 60 8.891 9.260 -1.341 458 HB ILE 60 HB ILE 60 9.991 6.857 -2.627 459 1HG1 ILE 60 HG1 ILE 60 8.771 6.706 0.140 460 2HG1 ILE 60 HG1 ILE 60 8.294 5.760 -1.266 461 1HG2 ILE 60 HG2 ILE 60 10.871 8.995 -1.053 462 2HG2 ILE 60 HG2 ILE 60 11.826 7.640 -1.655 463 3HG2 ILE 60 HG2 ILE 60 11.080 7.552 -0.060 464 1HD1 ILE 60 HD1 ILE 60 10.094 4.370 -1.112 465 2HD1 ILE 60 HD1 ILE 60 9.849 4.760 0.591 466 3HD1 ILE 60 HD1 ILE 60 11.108 5.584 -0.330 467 H ASP 61 HN ASP 61 10.818 8.637 -3.329 468 HA ASP 61 HA ASP 61 9.417 9.364 -5.809 469 1HB ASP 61 HB2 ASP 61 12.074 10.578 -5.446 470 2HB ASP 61 HB1 ASP 61 10.592 11.280 -6.085 471 H TYR 62 HN TYR 62 10.351 6.758 -5.110 472 HA TYR 62 HA TYR 62 12.573 6.484 -7.019 473 1HB TYR 62 HB2 TYR 62 11.928 4.702 -4.668 474 2HB TYR 62 HB1 TYR 62 13.172 4.369 -5.868 475 HD1 TYR 62 HD1 TYR 62 15.028 6.147 -6.143 476 HD2 TYR 62 HD2 TYR 62 12.445 5.944 -2.769 477 HE1 TYR 62 HE1 TYR 62 16.645 7.457 -4.833 478 HE2 TYR 62 HE2 TYR 62 14.055 7.252 -1.450 479 HH TYR 62 HH TYR 62 17.241 7.854 -2.508 480 HA PRO 63 HA PRO 63 9.928 5.264 -4.802 481 1HB PRO 63 HB1 PRO 63 7.759 3.766 -4.451 482 2HB PRO 63 HB2 PRO 63 7.681 5.227 -5.444 483 1HG PRO 63 HG1 PRO 63 7.686 2.376 -6.267 484 2HG PRO 63 HG2 PRO 63 6.958 3.777 -7.069 485 1HD PRO 63 HD1 PRO 63 9.481 2.535 -7.636 486 2HD PRO 63 HD2 PRO 63 8.770 3.963 -8.414 487 H MET 64 HN MET 64 9.128 3.484 -2.967 488 HA MET 64 HA MET 64 11.372 1.771 -2.632 489 1HB MET 64 HB1 MET 64 9.452 2.838 -0.963 490 2HB MET 64 HB2 MET 64 9.045 1.127 -0.981 491 1HG MET 64 HG1 MET 64 11.737 2.283 -0.295 492 2HG MET 64 HG2 MET 64 10.540 1.692 0.857 493 1HE MET 64 HE1 MET 64 13.103 1.175 -1.649 494 2HE MET 64 HE2 MET 64 13.408 -0.557 -1.786 495 3HE MET 64 HE3 MET 64 13.962 0.325 -0.364 496 H SER 65 HN SER 65 8.187 1.342 -3.950 497 HA SER 65 HA SER 65 7.888 -1.418 -3.692 498 1HB SER 65 HB2 SER 65 6.936 -0.085 -6.189 499 2HB SER 65 HB1 SER 65 6.095 -1.212 -5.127 500 HG SER 65 HG SER 65 6.315 1.546 -4.978 501 H LYS 66 HN LYS 66 10.124 0.338 -5.559 502 HA LYS 66 HA LYS 66 10.469 -1.327 -7.776 503 1HB LYS 66 HB2 LYS 66 12.577 -0.256 -8.092 504 2HB LYS 66 HB1 LYS 66 11.495 0.952 -7.415 505 1HG LYS 66 HG1 LYS 66 12.604 1.030 -5.413 506 2HG LYS 66 HG2 LYS 66 13.219 -0.616 -5.566 507 1HD LYS 66 HD2 LYS 66 14.376 0.666 -7.702 508 2HD LYS 66 HD1 LYS 66 14.384 1.909 -6.449 509 1HE LYS 66 HE2 LYS 66 15.407 0.211 -4.910 510 2HE LYS 66 HE1 LYS 66 15.576 -0.853 -6.306 511 1HZ LYS 66 HZ1 LYS 66 17.440 0.185 -6.838 512 2HZ LYS 66 HZ2 LYS 66 17.294 1.184 -5.481 513 3HZ LYS 66 HZ3 LYS 66 16.628 1.663 -6.960 514 H GLU 67 HN GLU 67 11.646 -1.607 -4.488 515 HA GLU 67 HA GLU 67 13.219 -3.973 -5.178 516 1HB GLU 67 HB2 GLU 67 13.262 -2.001 -3.042 517 2HB GLU 67 HB1 GLU 67 13.304 -3.642 -2.413 518 1HG GLU 67 HG1 GLU 67 15.123 -2.978 -4.656 519 2HG GLU 67 HG2 GLU 67 15.498 -2.319 -3.062 520 H ARG 68 HN ARG 68 10.226 -3.020 -3.748 521 HA ARG 68 HA ARG 68 9.640 -5.329 -2.261 522 1HB ARG 68 HB1 ARG 68 7.953 -3.201 -3.543 523 2HB ARG 68 HB2 ARG 68 7.200 -4.588 -2.768 524 1HG ARG 68 HG1 ARG 68 8.914 -3.815 -0.830 525 2HG ARG 68 HG2 ARG 68 8.550 -2.263 -1.586 526 1HD ARG 68 HD1 ARG 68 6.356 -2.319 -0.973 527 2HD ARG 68 HD2 ARG 68 6.274 -4.080 -1.022 528 HE ARG 68 HE ARG 68 6.903 -4.146 1.185 529 1HH1 ARG 68 HH2 ARG 68 7.426 -0.937 -0.071 530 2HH1 ARG 68 HH2 ARG 68 7.758 -0.244 1.482 531 1HH2 ARG 68 HH1 ARG 68 7.339 -3.241 3.233 532 2HH2 ARG 68 HH1 ARG 68 7.708 -1.554 3.359 533 H ILE 69 HN ILE 69 9.141 -4.541 -5.678 534 HA ILE 69 HA ILE 69 7.529 -6.725 -6.346 535 HB ILE 69 HB ILE 69 9.548 -5.399 -8.150 536 1HG1 ILE 69 HG1 ILE 69 6.659 -4.680 -8.186 537 2HG1 ILE 69 HG1 ILE 69 7.634 -4.046 -6.864 538 1HG2 ILE 69 HG2 ILE 69 6.976 -6.743 -8.924 539 2HG2 ILE 69 HG2 ILE 69 8.518 -7.596 -8.869 540 3HG2 ILE 69 HG2 ILE 69 8.302 -6.234 -9.969 541 1HD1 ILE 69 HD1 ILE 69 8.571 -2.518 -8.171 542 2HD1 ILE 69 HD1 ILE 69 7.339 -2.933 -9.364 543 3HD1 ILE 69 HD1 ILE 69 8.925 -3.700 -9.432 544 HA PRO 70 HA PRO 70 11.762 -8.965 -7.747 545 1HB PRO 70 HB1 PRO 70 13.329 -7.789 -5.487 546 2HB PRO 70 HB2 PRO 70 13.881 -8.328 -7.076 547 1HG PRO 70 HG2 PRO 70 13.559 -5.739 -6.563 548 2HG PRO 70 HG1 PRO 70 13.109 -6.416 -8.139 549 1HD PRO 70 HD1 PRO 70 11.376 -5.527 -5.892 550 2HD PRO 70 HD2 PRO 70 11.063 -5.508 -7.638 551 H GLU 71 HN GLU 71 11.342 -8.154 -4.288 552 HA GLU 71 HA GLU 71 11.921 -10.719 -3.304 553 1HB GLU 71 HB1 GLU 71 10.299 -8.437 -2.190 554 2HB GLU 71 HB2 GLU 71 10.531 -9.934 -1.299 555 1HG GLU 71 HG2 GLU 71 12.791 -8.232 -2.311 556 2HG GLU 71 HG1 GLU 71 12.093 -8.083 -0.699 557 H THR 72 HN THR 72 8.806 -9.206 -4.094 558 HA THR 72 HA THR 72 7.173 -11.325 -3.322 559 HB THR 72 HB THR 72 6.487 -9.582 -5.667 560 HG1 THR 72 HG1 THR 72 6.296 -7.869 -4.412 561 1HG2 THR 72 HG2 THR 72 4.365 -9.479 -4.069 562 2HG2 THR 72 HG2 THR 72 5.000 -11.052 -3.587 563 3HG2 THR 72 HG2 THR 72 4.597 -10.744 -5.276 564 H VAL 73 HN VAL 73 8.602 -10.656 -6.538 565 HA VAL 73 HA VAL 73 7.396 -12.767 -7.870 566 HB VAL 73 HB VAL 73 8.827 -12.365 -9.621 567 1HG1 VAL 73 HG1 VAL 73 9.351 -9.791 -8.213 568 2HG1 VAL 73 HG1 VAL 73 7.712 -10.259 -8.668 569 3HG1 VAL 73 HG1 VAL 73 8.954 -10.075 -9.907 570 1HG2 VAL 73 HG2 VAL 73 10.899 -12.132 -7.555 571 2HG2 VAL 73 HG2 VAL 73 11.133 -11.131 -8.988 572 3HG2 VAL 73 HG2 VAL 73 10.966 -12.879 -9.151 573 H LYS 74 HN LYS 74 10.113 -12.730 -5.687 574 HA LYS 74 HA LYS 74 11.251 -15.226 -6.323 575 1HB LYS 74 HB1 LYS 74 12.050 -13.386 -4.652 576 2HB LYS 74 HB2 LYS 74 11.031 -14.230 -3.495 577 1HG LYS 74 HG1 LYS 74 12.638 -15.701 -3.123 578 2HG LYS 74 HG2 LYS 74 12.651 -16.148 -4.831 579 1HD LYS 74 HD2 LYS 74 14.275 -14.491 -5.342 580 2HD LYS 74 HD1 LYS 74 14.106 -13.744 -3.751 581 1HE LYS 74 HE1 LYS 74 15.976 -14.945 -3.329 582 2HE LYS 74 HE2 LYS 74 14.797 -16.212 -2.992 583 1HZ LYS 74 HZ1 LYS 74 15.411 -16.154 -5.753 584 2HZ LYS 74 HZ2 LYS 74 15.607 -17.417 -4.645 585 3HZ LYS 74 HZ3 LYS 74 16.838 -16.277 -4.853 586 H LYS 75 HN LYS 75 8.586 -14.245 -4.249 587 HA LYS 75 HA LYS 75 7.900 -17.020 -3.665 588 1HB LYS 75 HB2 LYS 75 6.342 -14.573 -2.842 589 2HB LYS 75 HB1 LYS 75 6.322 -16.170 -2.107 590 1HG LYS 75 HG2 LYS 75 7.891 -15.544 -0.683 591 2HG LYS 75 HG1 LYS 75 8.986 -15.194 -2.022 592 1HD LYS 75 HD2 LYS 75 8.821 -13.180 -0.819 593 2HD LYS 75 HD1 LYS 75 7.776 -12.967 -2.225 594 1HE LYS 75 HE2 LYS 75 6.538 -12.141 -0.406 595 2HE LYS 75 HE1 LYS 75 5.868 -13.739 -0.739 596 1HZ LYS 75 HZ1 LYS 75 7.741 -12.999 1.439 597 2HZ LYS 75 HZ2 LYS 75 7.339 -14.597 1.053 598 3HZ LYS 75 HZ3 LYS 75 6.142 -13.531 1.595 599 H LEU 76 HN LEU 76 5.716 -14.337 -4.456 600 HA LEU 76 HA LEU 76 4.306 -16.112 -6.323 601 1HB LEU 76 HB1 LEU 76 2.677 -13.958 -6.102 602 2HB LEU 76 HB2 LEU 76 2.563 -15.392 -5.096 603 HG LEU 76 HG LEU 76 4.351 -13.197 -4.175 604 1HD1 LEU 76 HD2 LEU 76 2.405 -11.953 -4.875 605 2HD1 LEU 76 HD2 LEU 76 2.437 -12.058 -3.115 606 3HD1 LEU 76 HD2 LEU 76 1.342 -13.085 -4.040 607 1HD2 LEU 76 HD1 LEU 76 3.703 -15.556 -3.113 608 2HD2 LEU 76 HD1 LEU 76 2.389 -14.585 -2.448 609 3HD2 LEU 76 HD1 LEU 76 4.066 -14.137 -2.132 610 H GLY 77 HN GLY 77 3.917 -12.670 -6.412 611 1HA GLY 77 HA2 GLY 77 5.618 -12.418 -8.780 612 2HA GLY 77 HA1 GLY 77 3.905 -12.063 -8.957 613 H HIS 78 HN HIS 78 3.009 -10.279 -7.766 614 HA HIS 78 HA HIS 78 4.893 -8.479 -6.474 615 1HB HIS 78 HB1 HIS 78 3.586 -6.640 -7.992 616 2HB HIS 78 HB2 HIS 78 5.176 -7.291 -8.377 617 HD2 HIS 78 HD2 HIS 78 5.313 -8.137 -10.900 618 HE1 HIS 78 HE1 HIS 78 1.221 -9.107 -11.395 619 HE2 HIS 78 HE2 HIS 78 3.489 -9.010 -12.529 620 H GLU 79 HN GLU 79 3.919 -6.969 -5.086 621 HA GLU 79 HA GLU 79 1.173 -7.616 -4.364 622 1HB GLU 79 HB1 GLU 79 2.556 -5.706 -2.660 623 2HB GLU 79 HB2 GLU 79 1.816 -7.241 -2.241 624 1HG GLU 79 HG2 GLU 79 3.897 -7.876 -1.760 625 2HG GLU 79 HG1 GLU 79 4.061 -8.078 -3.505 626 H VAL 80 HN VAL 80 1.058 -6.361 -6.625 627 HA VAL 80 HA VAL 80 0.929 -3.477 -6.170 628 HB VAL 80 HB VAL 80 2.111 -3.955 -8.145 629 1HG1 VAL 80 HG2 VAL 80 -0.119 -5.837 -8.910 630 2HG1 VAL 80 HG2 VAL 80 1.503 -6.293 -8.387 631 3HG1 VAL 80 HG2 VAL 80 1.274 -5.442 -9.916 632 1HG2 VAL 80 HG1 VAL 80 -0.705 -3.360 -9.043 633 2HG2 VAL 80 HG1 VAL 80 0.781 -2.982 -9.913 634 3HG2 VAL 80 HG1 VAL 80 0.424 -2.174 -8.387 635 H LEU 81 HN LEU 81 -0.921 -2.447 -5.868 636 HA LEU 81 HA LEU 81 -3.405 -3.675 -6.812 637 1HB LEU 81 HB2 LEU 81 -4.532 -3.329 -4.788 638 2HB LEU 81 HB1 LEU 81 -2.990 -4.025 -4.330 639 HG LEU 81 HG LEU 81 -2.568 -1.263 -4.259 640 1HD1 LEU 81 HD1 LEU 81 -5.166 -1.933 -2.887 641 2HD1 LEU 81 HD1 LEU 81 -5.032 -1.001 -4.378 642 3HD1 LEU 81 HD1 LEU 81 -4.327 -0.381 -2.885 643 1HD2 LEU 81 HD2 LEU 81 -1.855 -1.709 -2.163 644 2HD2 LEU 81 HD2 LEU 81 -2.014 -3.377 -2.712 645 3HD2 LEU 81 HD2 LEU 81 -3.296 -2.639 -1.752 646 H GLU 82 HN GLU 82 -1.673 -0.770 -5.872 647 HA GLU 82 HA GLU 82 -3.245 0.741 -7.783 648 1HB GLU 82 HB2 GLU 82 -4.115 0.747 -5.175 649 2HB GLU 82 HB1 GLU 82 -3.132 2.203 -5.256 650 1HG GLU 82 HG2 GLU 82 -4.976 1.831 -7.504 651 2HG GLU 82 HG1 GLU 82 -5.746 2.054 -5.933 652 H ILE 83 HN ILE 83 -2.310 2.675 -8.447 653 HA ILE 83 HA ILE 83 0.251 3.454 -7.270 654 HB ILE 83 HB ILE 83 -0.023 3.059 -10.249 655 1HG1 ILE 83 HG1 ILE 83 1.903 1.281 -9.260 656 2HG1 ILE 83 HG1 ILE 83 0.534 1.119 -8.166 657 1HG2 ILE 83 HG2 ILE 83 1.772 4.370 -10.284 658 2HG2 ILE 83 HG2 ILE 83 2.652 3.058 -9.499 659 3HG2 ILE 83 HG2 ILE 83 1.916 4.332 -8.526 660 1HD1 ILE 83 HD1 ILE 83 0.135 1.028 -11.124 661 2HD1 ILE 83 HD1 ILE 83 -0.875 0.366 -9.839 662 3HD1 ILE 83 HD1 ILE 83 0.664 -0.399 -10.234 663 H GLU 84 HN GLU 84 0.668 5.645 -7.424 664 HA GLU 84 HA GLU 84 -0.828 7.324 -9.232 665 1HB GLU 84 HB2 GLU 84 -1.828 8.695 -7.404 666 2HB GLU 84 HB1 GLU 84 -2.511 7.081 -7.537 667 1HG GLU 84 HG2 GLU 84 -1.444 6.341 -5.598 668 2HG GLU 84 HG1 GLU 84 -0.307 7.688 -5.603 669 H GLU 85 HN GLU 85 -0.437 9.739 -8.497 670 HA GLU 85 HA GLU 85 2.328 10.021 -7.545 671 1HB GLU 85 HB2 GLU 85 2.803 11.640 -9.315 672 2HB GLU 85 HB1 GLU 85 2.369 10.080 -9.999 673 1HG GLU 85 HG1 GLU 85 0.144 10.879 -10.501 674 2HG GLU 85 HG2 GLU 85 0.502 12.426 -9.732 675 H VAL 86 HN VAL 86 2.841 12.416 -7.149 676 HA VAL 86 HA VAL 86 0.460 13.811 -6.123 677 HB VAL 86 HB VAL 86 3.097 13.672 -4.662 678 1HG1 VAL 86 HG1 VAL 86 2.077 14.883 -2.940 679 2HG1 VAL 86 HG1 VAL 86 0.456 14.594 -3.573 680 3HG1 VAL 86 HG1 VAL 86 1.548 15.695 -4.413 681 1HG2 VAL 86 HG2 VAL 86 1.407 12.416 -3.013 682 2HG2 VAL 86 HG2 VAL 86 2.387 11.568 -4.209 683 3HG2 VAL 86 HG2 VAL 86 0.700 11.944 -4.559 684 H GLY 87 HN GLY 87 3.969 14.257 -6.644 685 1HA GLY 87 HA1 GLY 87 3.328 16.882 -7.836 686 2HA GLY 87 HA2 GLY 87 4.667 16.684 -6.715 687 HA PRO 88 HA PRO 88 6.624 16.532 -10.859 688 1HB PRO 88 HB2 PRO 88 9.008 16.878 -9.126 689 2HB PRO 88 HB1 PRO 88 8.535 17.760 -10.582 690 1HG PRO 88 HG1 PRO 88 8.307 18.878 -8.172 691 2HG PRO 88 HG2 PRO 88 7.082 19.150 -9.427 692 1HD PRO 88 HD2 PRO 88 6.984 17.354 -7.035 693 2HD PRO 88 HD1 PRO 88 5.704 18.360 -7.744 694 H SER 89 HN SER 89 8.949 15.409 -8.453 695 HA SER 89 HA SER 89 9.017 12.827 -9.829 696 1HB SER 89 HB2 SER 89 11.143 12.801 -8.088 697 2HB SER 89 HB1 SER 89 11.223 13.312 -9.774 698 HG SER 89 HG SER 89 10.478 15.150 -7.782 699 H GLU 90 HN GLU 90 7.574 14.136 -7.207 700 HA GLU 90 HA GLU 90 7.925 11.839 -5.442 701 1HB GLU 90 HB2 GLU 90 6.311 13.190 -3.972 702 2HB GLU 90 HB1 GLU 90 7.923 13.846 -4.224 703 1HG GLU 90 HG1 GLU 90 7.092 15.407 -5.849 704 2HG GLU 90 HG2 GLU 90 5.485 14.684 -5.776 705 H TRP 91 HN TRP 91 6.463 10.246 -5.175 706 HA TRP 91 HA TRP 91 3.740 10.590 -6.144 707 1HB TRP 91 HB1 TRP 91 4.007 8.308 -7.357 708 2HB TRP 91 HB2 TRP 91 4.580 9.767 -8.159 709 HD1 TRP 91 HD1 TRP 91 6.221 7.205 -5.727 710 HE1 TRP 91 HE1 TRP 91 8.552 6.631 -6.654 711 HE3 TRP 91 HE3 TRP 91 6.184 10.157 -9.902 712 HZ2 TRP 91 HZ2 TRP 91 10.162 7.335 -8.863 713 HZ3 TRP 91 HZ3 TRP 91 8.159 10.148 -11.368 714 HH2 TRP 91 HH2 TRP 91 10.106 8.766 -10.858 715 H LYS 92 HN LYS 92 2.416 8.582 -5.708 716 HA LYS 92 HA LYS 92 3.329 7.293 -3.223 717 1HB LYS 92 HB2 LYS 92 1.237 9.037 -3.422 718 2HB LYS 92 HB1 LYS 92 0.421 7.497 -3.652 719 1HG LYS 92 HG2 LYS 92 1.575 6.720 -1.543 720 2HG LYS 92 HG1 LYS 92 2.034 8.405 -1.290 721 1HD LYS 92 HD2 LYS 92 -0.704 8.442 -1.885 722 2HD LYS 92 HD1 LYS 92 -0.475 7.097 -0.765 723 1HE LYS 92 HE1 LYS 92 0.672 8.581 0.794 724 2HE LYS 92 HE2 LYS 92 0.478 9.925 -0.330 725 1HZ LYS 92 HZ1 LYS 92 -1.290 9.104 1.638 726 2HZ LYS 92 HZ2 LYS 92 -2.025 8.721 0.164 727 3HZ LYS 92 HZ3 LYS 92 -1.532 10.308 0.475 728 H ILE 93 HN ILE 93 2.792 5.126 -2.918 729 HA ILE 93 HA ILE 93 1.665 3.733 -5.251 730 HB ILE 93 HB ILE 93 3.763 2.338 -3.685 731 1HG1 ILE 93 HG1 ILE 93 4.646 4.671 -4.148 732 2HG1 ILE 93 HG1 ILE 93 5.605 3.347 -4.803 733 1HG2 ILE 93 HG2 ILE 93 3.187 2.435 -6.641 734 2HG2 ILE 93 HG2 ILE 93 2.489 1.272 -5.514 735 3HG2 ILE 93 HG2 ILE 93 4.229 1.288 -5.799 736 1HD1 ILE 93 HD1 ILE 93 5.313 4.025 -6.903 737 2HD1 ILE 93 HD1 ILE 93 4.825 5.557 -6.178 738 3HD1 ILE 93 HD1 ILE 93 3.603 4.380 -6.656 739 H TYR 94 HN TYR 94 0.840 1.592 -4.781 740 HA TYR 94 HA TYR 94 0.096 1.201 -1.965 741 1HB TYR 94 HB1 TYR 94 -1.657 1.056 -4.406 742 2HB TYR 94 HB2 TYR 94 -2.061 0.167 -2.942 743 HD1 TYR 94 HD1 TYR 94 -3.105 1.240 -1.126 744 HD2 TYR 94 HD2 TYR 94 -1.436 3.575 -4.266 745 HE1 TYR 94 HE1 TYR 94 -4.173 3.249 -0.192 746 HE2 TYR 94 HE2 TYR 94 -2.501 5.590 -3.342 747 HH TYR 94 HH TYR 94 -4.083 6.331 -1.881 748 H ILE 95 HN ILE 95 0.773 -0.669 -1.213 749 HA ILE 95 HA ILE 95 1.297 -2.872 -3.101 750 HB ILE 95 HB ILE 95 2.843 -1.969 -0.670 751 1HG1 ILE 95 HG1 ILE 95 3.311 -0.774 -2.774 752 2HG1 ILE 95 HG1 ILE 95 4.696 -1.726 -2.246 753 1HG2 ILE 95 HG2 ILE 95 4.280 -3.872 -0.897 754 2HG2 ILE 95 HG2 ILE 95 3.382 -4.439 -2.304 755 3HG2 ILE 95 HG2 ILE 95 2.619 -4.435 -0.714 756 1HD1 ILE 95 HD1 ILE 95 3.135 -3.343 -3.969 757 2HD1 ILE 95 HD1 ILE 95 4.763 -2.712 -4.217 758 3HD1 ILE 95 HD1 ILE 95 3.363 -1.773 -4.738 759 H LYS 96 HN LYS 96 0.934 -5.033 -2.342 760 HA LYS 96 HA LYS 96 -0.337 -5.324 0.258 761 1HB LYS 96 HB2 LYS 96 -2.333 -4.791 -0.736 762 2HB LYS 96 HB1 LYS 96 -1.842 -5.401 -2.309 763 1HG LYS 96 HG1 LYS 96 -2.019 -7.555 -0.415 764 2HG LYS 96 HG2 LYS 96 -3.521 -6.631 -0.455 765 1HD LYS 96 HD1 LYS 96 -2.684 -6.923 -3.124 766 2HD LYS 96 HD2 LYS 96 -2.498 -8.506 -2.364 767 1HE LYS 96 HE1 LYS 96 -4.734 -8.749 -1.999 768 2HE LYS 96 HE2 LYS 96 -5.005 -7.015 -1.827 769 1HZ LYS 96 HZ1 LYS 96 -5.917 -8.152 -3.893 770 2HZ LYS 96 HZ2 LYS 96 -4.318 -8.213 -4.439 771 3HZ LYS 96 HZ3 LYS 96 -5.047 -6.720 -4.122 772 H VAL 97 HN VAL 97 1.066 -6.828 0.928 773 HA VAL 97 HA VAL 97 2.005 -8.980 -0.690 774 HB VAL 97 HB VAL 97 2.048 -8.744 2.322 775 1HG1 VAL 97 HG2 VAL 97 2.634 -10.918 2.029 776 2HG1 VAL 97 HG2 VAL 97 4.213 -10.182 1.755 777 3HG1 VAL 97 HG2 VAL 97 3.212 -10.659 0.383 778 1HG2 VAL 97 HG1 VAL 97 3.491 -7.301 0.284 779 2HG2 VAL 97 HG1 VAL 97 4.589 -8.226 1.309 780 3HG2 VAL 97 HG1 VAL 97 3.473 -7.068 2.034 781 H LYS 98 HN LYS 98 0.172 -10.048 -1.488 782 HA LYS 98 HA LYS 98 -1.721 -11.185 0.404 783 1HB LYS 98 HB2 LYS 98 -2.785 -12.094 -1.719 784 2HB LYS 98 HB1 LYS 98 -2.755 -10.345 -1.548 785 1HG LYS 98 HG1 LYS 98 -0.912 -10.168 -3.075 786 2HG LYS 98 HG2 LYS 98 -0.760 -11.925 -3.152 787 1HD LYS 98 HD2 LYS 98 -3.131 -11.963 -4.033 788 2HD LYS 98 HD1 LYS 98 -3.000 -10.211 -4.201 789 1HE LYS 98 HE2 LYS 98 -0.951 -12.035 -5.407 790 2HE LYS 98 HE1 LYS 98 -2.467 -11.695 -6.242 791 1HZ LYS 98 HZ1 LYS 98 -0.262 -9.857 -5.591 792 2HZ LYS 98 HZ2 LYS 98 -1.827 -9.252 -5.809 793 3HZ LYS 98 HZ3 LYS 98 -1.060 -10.087 -7.064 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -8.058 10.198 -7.782 2 2H GLY 1 HT2 GLY 1 -8.071 11.139 -9.187 3 3H GLY 1 HT3 GLY 1 -9.463 10.300 -8.717 4 1HA GLY 1 HA1 GLY 1 -10.130 12.179 -7.763 5 2HA GLY 1 HA2 GLY 1 -8.938 11.798 -6.530 6 H SER 2 HN SER 2 -6.591 12.246 -7.979 7 HA SER 2 HA SER 2 -6.675 15.168 -8.167 8 1HB SER 2 HB1 SER 2 -4.159 13.515 -8.147 9 2HB SER 2 HB2 SER 2 -4.388 15.184 -7.625 10 HG SER 2 HG SER 2 -5.325 12.836 -6.340 11 H SER 3 HN SER 3 -7.398 13.055 -10.276 12 HA SER 3 HA SER 3 -5.464 13.627 -12.370 13 1HB SER 3 HB1 SER 3 -8.053 12.092 -12.645 14 2HB SER 3 HB2 SER 3 -6.633 12.012 -13.687 15 HG SER 3 HG SER 3 -5.494 11.114 -11.899 16 H HIS 4 HN HIS 4 -5.790 14.936 -14.104 17 HA HIS 4 HA HIS 4 -8.357 16.373 -14.246 18 1HB HIS 4 HB2 HIS 4 -6.341 17.670 -13.274 19 2HB HIS 4 HB1 HIS 4 -5.734 17.684 -14.928 20 HD2 HIS 4 HD2 HIS 4 -9.360 18.519 -13.579 21 HE1 HIS 4 HE1 HIS 4 -7.917 21.674 -16.005 22 HE2 HIS 4 HE2 HIS 4 -9.881 20.829 -14.641 23 H HIS 5 HN HIS 5 -5.338 16.026 -16.120 24 HA HIS 5 HA HIS 5 -6.912 15.966 -18.578 25 1HB HIS 5 HB2 HIS 5 -4.793 16.276 -19.735 26 2HB HIS 5 HB1 HIS 5 -4.944 17.461 -18.443 27 HD2 HIS 5 HD2 HIS 5 -3.438 16.683 -16.048 28 HE1 HIS 5 HE1 HIS 5 -0.653 14.544 -18.411 29 HE2 HIS 5 HE2 HIS 5 -1.101 15.558 -16.130 30 H HIS 6 HN HIS 6 -5.914 13.761 -16.387 31 HA HIS 6 HA HIS 6 -4.909 11.722 -18.146 32 1HB HIS 6 HB1 HIS 6 -5.246 12.085 -15.289 33 2HB HIS 6 HB2 HIS 6 -5.793 10.489 -15.793 34 HD2 HIS 6 HD2 HIS 6 -3.817 8.794 -16.810 35 HE1 HIS 6 HE1 HIS 6 -0.614 11.317 -15.671 36 HE2 HIS 6 HE2 HIS 6 -1.248 9.011 -16.516 37 H HIS 7 HN HIS 7 -7.693 11.468 -15.954 38 HA HIS 7 HA HIS 7 -9.262 10.369 -18.189 39 1HB HIS 7 HB1 HIS 7 -8.287 8.812 -16.191 40 2HB HIS 7 HB2 HIS 7 -9.836 9.286 -15.499 41 HD2 HIS 7 HD2 HIS 7 -8.452 7.298 -18.574 42 HE1 HIS 7 HE1 HIS 7 -12.558 6.420 -18.040 43 HE2 HIS 7 HE2 HIS 7 -10.459 5.843 -19.340 44 H HIS 8 HN HIS 8 -10.917 11.675 -18.560 45 HA HIS 8 HA HIS 8 -12.098 13.156 -16.316 46 1HB HIS 8 HB1 HIS 8 -11.278 14.045 -18.789 47 2HB HIS 8 HB2 HIS 8 -13.014 13.852 -19.015 48 HD2 HIS 8 HD2 HIS 8 -14.554 15.812 -17.963 49 HE1 HIS 8 HE1 HIS 8 -11.460 17.780 -15.848 50 HE2 HIS 8 HE2 HIS 8 -13.894 17.888 -16.552 51 H HIS 9 HN HIS 9 -14.052 12.652 -15.584 52 HA HIS 9 HA HIS 9 -15.502 10.447 -16.657 53 1HB HIS 9 HB2 HIS 9 -15.544 12.045 -14.265 54 2HB HIS 9 HB1 HIS 9 -17.180 11.889 -14.898 55 HD2 HIS 9 HD2 HIS 9 -14.905 10.053 -12.618 56 HE1 HIS 9 HE1 HIS 9 -17.506 7.129 -14.231 57 HE2 HIS 9 HE2 HIS 9 -15.795 7.622 -12.425 58 H SER 10 HN SER 10 -16.404 10.707 -18.619 59 HA SER 10 HA SER 10 -17.488 13.138 -19.579 60 1HB SER 10 HB1 SER 10 -16.654 11.057 -20.896 61 2HB SER 10 HB2 SER 10 -18.293 10.448 -20.659 62 HG SER 10 HG SER 10 -18.722 11.600 -22.360 63 H SER 11 HN SER 11 -18.706 10.815 -17.438 64 HA SER 11 HA SER 11 -21.486 11.120 -18.053 65 1HB SER 11 HB2 SER 11 -19.989 9.922 -15.720 66 2HB SER 11 HB1 SER 11 -21.750 10.021 -15.748 67 HG SER 11 HG SER 11 -21.586 8.882 -17.819 68 H GLY 12 HN GLY 12 -22.356 11.421 -15.250 69 1HA GLY 12 HA1 GLY 12 -22.327 14.334 -15.195 70 2HA GLY 12 HA2 GLY 12 -23.366 13.282 -14.244 71 H LEU 13 HN LEU 13 -22.941 14.348 -12.314 72 HA LEU 13 HA LEU 13 -20.185 14.478 -11.376 73 1HB LEU 13 HB1 LEU 13 -22.792 15.610 -10.452 74 2HB LEU 13 HB2 LEU 13 -21.483 15.450 -9.299 75 HG LEU 13 HG LEU 13 -21.514 17.695 -10.202 76 1HD1 LEU 13 HD2 LEU 13 -19.311 16.110 -10.028 77 2HD1 LEU 13 HD2 LEU 13 -19.283 17.848 -10.321 78 3HD1 LEU 13 HD2 LEU 13 -19.177 16.725 -11.676 79 1HD2 LEU 13 HD1 LEU 13 -21.039 16.513 -12.928 80 2HD2 LEU 13 HD1 LEU 13 -21.303 18.206 -12.511 81 3HD2 LEU 13 HD1 LEU 13 -22.621 17.044 -12.356 82 H VAL 14 HN VAL 14 -19.638 12.350 -11.011 83 HA VAL 14 HA VAL 14 -21.319 10.699 -9.336 84 HB VAL 14 HB VAL 14 -20.443 9.177 -10.699 85 1HG1 VAL 14 HG1 VAL 14 -19.219 11.209 -11.846 86 2HG1 VAL 14 HG1 VAL 14 -18.838 9.540 -12.269 87 3HG1 VAL 14 HG1 VAL 14 -17.794 10.430 -11.162 88 1HG2 VAL 14 HG2 VAL 14 -19.451 8.471 -8.626 89 2HG2 VAL 14 HG2 VAL 14 -18.057 9.517 -8.893 90 3HG2 VAL 14 HG2 VAL 14 -18.335 8.132 -9.949 91 HA PRO 15 HA PRO 15 -18.529 12.816 -10.055 92 1HB PRO 15 HB1 PRO 15 -16.562 14.354 -9.126 93 2HB PRO 15 HB2 PRO 15 -18.238 14.654 -8.656 94 1HG PRO 15 HG1 PRO 15 -16.012 13.521 -7.075 95 2HG PRO 15 HG2 PRO 15 -17.471 14.355 -6.522 96 1HD PRO 15 HD2 PRO 15 -16.984 11.512 -6.686 97 2HD PRO 15 HD1 PRO 15 -18.413 12.351 -6.052 98 H ARG 16 HN ARG 16 -15.845 13.604 -10.493 99 HA ARG 16 HA ARG 16 -14.765 11.349 -11.695 100 1HB ARG 16 HB1 ARG 16 -13.245 13.810 -10.822 101 2HB ARG 16 HB2 ARG 16 -12.768 12.681 -12.082 102 1HG ARG 16 HG1 ARG 16 -14.014 13.712 -13.605 103 2HG ARG 16 HG2 ARG 16 -15.417 13.764 -12.536 104 1HD ARG 16 HD1 ARG 16 -13.789 15.618 -11.388 105 2HD ARG 16 HD2 ARG 16 -13.390 15.809 -13.095 106 HE ARG 16 HE ARG 16 -16.213 15.804 -12.365 107 1HH1 ARG 16 HH1 ARG 16 -13.380 17.611 -13.286 108 2HH1 ARG 16 HH1 ARG 16 -14.274 19.017 -13.758 109 1HH2 ARG 16 HH2 ARG 16 -17.396 17.650 -12.984 110 2HH2 ARG 16 HH2 ARG 16 -16.556 19.039 -13.587 111 H GLY 17 HN GLY 17 -14.861 11.873 -8.400 112 1HA GLY 17 HA1 GLY 17 -12.261 10.894 -7.691 113 2HA GLY 17 HA2 GLY 17 -13.633 11.092 -6.611 114 H SER 18 HN SER 18 -11.943 8.937 -8.751 115 HA SER 18 HA SER 18 -13.832 6.789 -8.496 116 1HB SER 18 HB1 SER 18 -11.385 7.318 -9.980 117 2HB SER 18 HB2 SER 18 -11.420 5.677 -9.335 118 HG SER 18 HG SER 18 -12.437 6.091 -11.474 119 H HIS 19 HN HIS 19 -12.611 7.966 -6.022 120 HA HIS 19 HA HIS 19 -11.029 5.763 -4.969 121 1HB HIS 19 HB1 HIS 19 -11.628 8.545 -4.158 122 2HB HIS 19 HB2 HIS 19 -11.398 7.398 -2.842 123 HD2 HIS 19 HD2 HIS 19 -9.322 9.797 -4.609 124 HE1 HIS 19 HE1 HIS 19 -6.746 6.507 -3.933 125 HE2 HIS 19 HE2 HIS 19 -6.868 8.958 -4.575 126 H MET 20 HN MET 20 -13.842 5.293 -5.689 127 HA MET 20 HA MET 20 -15.299 5.120 -3.208 128 1HB MET 20 HB1 MET 20 -17.021 3.991 -4.590 129 2HB MET 20 HB2 MET 20 -16.531 5.546 -5.248 130 1HG MET 20 HG2 MET 20 -15.050 4.371 -6.832 131 2HG MET 20 HG1 MET 20 -15.652 2.835 -6.211 132 1HE MET 20 HE1 MET 20 -15.667 4.392 -9.232 133 2HE MET 20 HE2 MET 20 -17.153 3.725 -9.908 134 3HE MET 20 HE3 MET 20 -16.004 2.666 -9.090 135 H ALA 21 HN ALA 21 -12.813 3.372 -4.446 136 HA ALA 21 HA ALA 21 -13.666 0.701 -3.993 137 1HB ALA 21 HB1 ALA 21 -11.829 0.651 -5.314 138 2HB ALA 21 HB2 ALA 21 -11.013 0.479 -3.761 139 3HB ALA 21 HB3 ALA 21 -11.099 2.057 -4.542 140 H LYS 22 HN LYS 22 -12.568 -0.720 -2.344 141 HA LYS 22 HA LYS 22 -12.906 0.496 0.281 142 1HB LYS 22 HB2 LYS 22 -12.841 -2.316 -0.752 143 2HB LYS 22 HB1 LYS 22 -12.556 -2.012 0.956 144 1HG LYS 22 HG2 LYS 22 -14.824 -2.429 0.882 145 2HG LYS 22 HG1 LYS 22 -14.757 -0.665 0.846 146 1HD LYS 22 HD1 LYS 22 -16.312 -1.238 -0.815 147 2HD LYS 22 HD2 LYS 22 -14.823 -0.885 -1.696 148 1HE LYS 22 HE2 LYS 22 -14.888 -2.904 -2.611 149 2HE LYS 22 HE1 LYS 22 -14.781 -3.631 -1.009 150 1HZ LYS 22 HZ1 LYS 22 -16.818 -4.399 -1.332 151 2HZ LYS 22 HZ2 LYS 22 -16.992 -3.533 -2.775 152 3HZ LYS 22 HZ3 LYS 22 -17.400 -2.810 -1.300 153 H TYR 23 HN TYR 23 -10.908 1.724 0.102 154 HA TYR 23 HA TYR 23 -8.390 0.390 -0.035 155 1HB TYR 23 HB1 TYR 23 -7.621 2.700 0.968 156 2HB TYR 23 HB2 TYR 23 -8.173 2.588 -0.699 157 HD1 TYR 23 HD1 TYR 23 -9.005 3.778 2.670 158 HD2 TYR 23 HD2 TYR 23 -10.252 3.605 -1.394 159 HE1 TYR 23 HE1 TYR 23 -10.683 5.518 3.118 160 HE2 TYR 23 HE2 TYR 23 -11.934 5.343 -0.956 161 HH TYR 23 HH TYR 23 -12.422 6.651 2.303 162 H GLN 24 HN GLN 24 -8.707 -1.256 1.570 163 HA GLN 24 HA GLN 24 -8.857 -0.419 4.349 164 1HB GLN 24 HB1 GLN 24 -9.294 -2.888 2.854 165 2HB GLN 24 HB2 GLN 24 -8.383 -3.149 4.335 166 1HG GLN 24 HG1 GLN 24 -10.518 -1.427 4.977 167 2HG GLN 24 HG2 GLN 24 -11.180 -2.731 3.991 168 1HE2 GLN 24 HE2 GLN 24 -10.214 -1.799 7.060 169 2HE2 GLN 24 HE2 GLN 24 -10.235 -3.349 7.822 170 H VAL 25 HN VAL 25 -6.730 0.770 3.879 171 HA VAL 25 HA VAL 25 -4.340 -0.813 3.766 172 HB VAL 25 HB VAL 25 -4.589 2.089 4.556 173 1HG1 VAL 25 HG2 VAL 25 -2.331 0.271 3.931 174 2HG1 VAL 25 HG2 VAL 25 -2.425 1.613 5.071 175 3HG1 VAL 25 HG2 VAL 25 -2.227 1.933 3.348 176 1HG2 VAL 25 HG1 VAL 25 -4.813 0.749 1.942 177 2HG2 VAL 25 HG1 VAL 25 -3.745 2.152 1.994 178 3HG2 VAL 25 HG1 VAL 25 -5.433 2.311 2.477 179 H THR 26 HN THR 26 -3.007 -1.437 5.393 180 HA THR 26 HA THR 26 -4.045 -1.142 8.114 181 HB THR 26 HB THR 26 -1.769 -2.922 7.847 182 HG1 THR 26 HG1 THR 26 -2.274 -3.689 5.961 183 1HG2 THR 26 HG2 THR 26 -3.900 -4.507 8.406 184 2HG2 THR 26 HG2 THR 26 -4.438 -2.945 9.024 185 3HG2 THR 26 HG2 THR 26 -2.929 -3.649 9.603 186 H LYS 27 HN LYS 27 -0.781 -1.372 6.672 187 HA LYS 27 HA LYS 27 0.116 0.614 8.648 188 1HB LYS 27 HB2 LYS 27 1.121 -1.869 8.219 189 2HB LYS 27 HB1 LYS 27 2.144 -0.919 7.151 190 1HG LYS 27 HG2 LYS 27 1.783 0.188 9.846 191 2HG LYS 27 HG1 LYS 27 2.644 -1.351 9.762 192 1HD LYS 27 HD2 LYS 27 4.472 -0.385 8.921 193 2HD LYS 27 HD1 LYS 27 3.534 0.504 7.718 194 1HE LYS 27 HE1 LYS 27 4.450 2.211 8.975 195 2HE LYS 27 HE2 LYS 27 2.866 2.009 9.724 196 1HZ LYS 27 HZ1 LYS 27 5.516 1.341 10.768 197 2HZ LYS 27 HZ2 LYS 27 4.221 0.349 11.222 198 3HZ LYS 27 HZ3 LYS 27 4.177 2.006 11.562 199 H THR 28 HN THR 28 1.477 2.312 8.015 200 HA THR 28 HA THR 28 1.746 2.769 5.126 201 HB THR 28 HB THR 28 0.804 4.862 7.098 202 HG1 THR 28 HG1 THR 28 -0.565 3.139 5.379 203 1HG2 THR 28 HG2 THR 28 1.958 5.935 5.318 204 2HG2 THR 28 HG2 THR 28 0.227 6.136 5.049 205 3HG2 THR 28 HG2 THR 28 1.133 4.946 4.114 206 H LEU 29 HN LEU 29 3.831 3.045 4.686 207 HA LEU 29 HA LEU 29 5.582 4.136 6.774 208 1HB LEU 29 HB1 LEU 29 6.020 1.864 5.684 209 2HB LEU 29 HB2 LEU 29 6.476 2.767 4.250 210 HG LEU 29 HG LEU 29 8.132 3.998 5.763 211 1HD1 LEU 29 HD2 LEU 29 8.889 2.633 7.710 212 2HD1 LEU 29 HD2 LEU 29 7.425 1.666 7.528 213 3HD1 LEU 29 HD2 LEU 29 7.304 3.384 7.910 214 1HD2 LEU 29 HD1 LEU 29 9.065 1.229 5.702 215 2HD2 LEU 29 HD1 LEU 29 9.712 2.663 4.905 216 3HD2 LEU 29 HD1 LEU 29 8.365 1.783 4.182 217 H ASP 30 HN ASP 30 5.861 6.243 6.610 218 HA ASP 30 HA ASP 30 6.386 7.381 3.944 219 1HB ASP 30 HB2 ASP 30 5.456 9.547 5.207 220 2HB ASP 30 HB1 ASP 30 4.396 8.442 4.337 221 H VAL 31 HN VAL 31 8.435 7.991 3.820 222 HA VAL 31 HA VAL 31 9.641 9.365 6.116 223 HB VAL 31 HB VAL 31 11.817 8.065 5.194 224 1HG1 VAL 31 HG2 VAL 31 11.787 7.786 7.403 225 2HG1 VAL 31 HG2 VAL 31 10.848 6.321 7.114 226 3HG1 VAL 31 HG2 VAL 31 10.025 7.841 7.459 227 1HG2 VAL 31 HG1 VAL 31 9.619 6.615 4.111 228 2HG2 VAL 31 HG1 VAL 31 10.398 5.621 5.340 229 3HG2 VAL 31 HG1 VAL 31 11.342 6.259 3.995 230 H ARG 32 HN ARG 32 8.624 10.693 3.964 231 HA ARG 32 HA ARG 32 10.586 11.146 1.940 232 1HB ARG 32 HB2 ARG 32 9.124 13.069 1.320 233 2HB ARG 32 HB1 ARG 32 8.269 11.536 1.430 234 1HG ARG 32 HG1 ARG 32 6.928 12.280 3.043 235 2HG ARG 32 HG2 ARG 32 8.265 13.006 3.938 236 1HD ARG 32 HD1 ARG 32 6.920 14.216 1.526 237 2HD ARG 32 HD2 ARG 32 6.611 14.673 3.201 238 HE ARG 32 HE ARG 32 9.000 15.270 1.637 239 1HH1 ARG 32 HH1 ARG 32 7.316 15.420 4.685 240 2HH1 ARG 32 HH1 ARG 32 8.339 16.657 5.335 241 1HH2 ARG 32 HH2 ARG 32 10.351 16.900 2.486 242 2HH2 ARG 32 HH2 ARG 32 10.064 17.498 4.086 243 H GLY 33 HN GLY 33 11.180 11.674 4.953 244 1HA GLY 33 HA2 GLY 33 11.814 14.500 4.973 245 2HA GLY 33 HA1 GLY 33 12.158 13.341 6.248 246 H GLU 34 HN GLU 34 13.966 11.878 5.932 247 HA GLU 34 HA GLU 34 16.212 13.260 4.746 248 1HB GLU 34 HB1 GLU 34 17.572 11.542 5.814 249 2HB GLU 34 HB2 GLU 34 16.409 12.193 6.960 250 1HG GLU 34 HG1 GLU 34 15.674 9.749 5.439 251 2HG GLU 34 HG2 GLU 34 16.845 9.609 6.749 252 H VAL 35 HN VAL 35 17.846 11.148 3.984 253 HA VAL 35 HA VAL 35 16.406 9.970 1.707 254 HB VAL 35 HB VAL 35 19.136 10.321 1.031 255 1HG1 VAL 35 HG2 VAL 35 16.515 11.319 -0.031 256 2HG1 VAL 35 HG2 VAL 35 17.544 10.035 -0.666 257 3HG1 VAL 35 HG2 VAL 35 18.051 11.719 -0.800 258 1HG2 VAL 35 HG1 VAL 35 17.791 12.683 2.239 259 2HG2 VAL 35 HG1 VAL 35 18.853 12.916 0.851 260 3HG2 VAL 35 HG1 VAL 35 19.480 12.186 2.328 261 H CYS 36 HN CYS 36 18.231 8.395 0.596 262 HA CYS 36 HA CYS 36 18.335 6.137 2.238 263 1HB CYS 36 HB1 CYS 36 19.176 6.871 -0.434 264 2HB CYS 36 HB2 CYS 36 20.374 5.832 0.330 265 HG CYS 36 HG CYS 36 17.866 4.427 0.747 266 HA PRO 37 HA PRO 37 19.675 4.344 2.124 267 1HB PRO 37 HB1 PRO 37 21.064 2.637 3.618 268 2HB PRO 37 HB2 PRO 37 21.812 3.429 2.227 269 1HG PRO 37 HG2 PRO 37 22.128 4.002 5.135 270 2HG PRO 37 HG1 PRO 37 23.325 4.105 3.832 271 1HD PRO 37 HD2 PRO 37 21.844 6.240 4.930 272 2HD PRO 37 HD1 PRO 37 22.823 6.282 3.452 273 H VAL 38 HN VAL 38 18.859 6.208 4.439 274 HA VAL 38 HA VAL 38 18.164 4.676 6.674 275 HB VAL 38 HB VAL 38 16.612 7.049 5.649 276 1HG1 VAL 38 HG2 VAL 38 16.285 5.374 7.899 277 2HG1 VAL 38 HG2 VAL 38 15.426 6.867 7.518 278 3HG1 VAL 38 HG2 VAL 38 16.899 6.920 8.486 279 1HG2 VAL 38 HG1 VAL 38 19.292 6.847 6.890 280 2HG2 VAL 38 HG1 VAL 38 18.231 8.129 7.474 281 3HG2 VAL 38 HG1 VAL 38 18.649 8.042 5.764 282 HA PRO 39 HA PRO 39 13.862 3.888 4.676 283 1HB PRO 39 HB2 PRO 39 13.480 4.428 2.064 284 2HB PRO 39 HB1 PRO 39 13.261 5.653 3.319 285 1HG PRO 39 HG1 PRO 39 15.599 5.196 1.505 286 2HG PRO 39 HG2 PRO 39 14.822 6.722 1.962 287 1HD PRO 39 HD2 PRO 39 17.120 5.820 3.109 288 2HD PRO 39 HD1 PRO 39 15.943 6.834 3.965 289 H ASP 40 HN ASP 40 16.822 3.252 3.027 290 HA ASP 40 HA ASP 40 15.982 1.094 1.401 291 1HB ASP 40 HB2 ASP 40 18.334 2.505 1.757 292 2HB ASP 40 HB1 ASP 40 18.734 0.904 2.374 293 H VAL 41 HN VAL 41 17.611 1.141 4.572 294 HA VAL 41 HA VAL 41 17.427 -1.684 4.922 295 HB VAL 41 HB VAL 41 17.850 0.359 7.096 296 1HG1 VAL 41 HG2 VAL 41 19.396 -1.766 7.716 297 2HG1 VAL 41 HG2 VAL 41 18.062 -2.570 6.887 298 3HG1 VAL 41 HG2 VAL 41 17.742 -1.549 8.289 299 1HG2 VAL 41 HG1 VAL 41 20.340 -0.373 6.546 300 2HG2 VAL 41 HG1 VAL 41 19.567 0.992 5.741 301 3HG2 VAL 41 HG1 VAL 41 19.654 -0.574 4.933 302 H GLU 42 HN GLU 42 15.427 1.047 5.783 303 HA GLU 42 HA GLU 42 13.820 -0.116 7.746 304 1HB GLU 42 HB1 GLU 42 13.821 2.291 7.190 305 2HB GLU 42 HB2 GLU 42 13.020 1.929 5.667 306 1HG GLU 42 HG2 GLU 42 11.009 1.687 6.628 307 2HG GLU 42 HG1 GLU 42 11.671 0.892 8.057 308 H THR 43 HN THR 43 13.022 0.271 4.284 309 HA THR 43 HA THR 43 10.745 -1.367 4.359 310 HB THR 43 HB THR 43 11.187 0.239 2.552 311 HG1 THR 43 HG1 THR 43 10.819 -1.390 0.778 312 1HG2 THR 43 HG2 THR 43 13.524 0.030 2.161 313 2HG2 THR 43 HG2 THR 43 12.676 -0.430 0.684 314 3HG2 THR 43 HG2 THR 43 13.354 -1.673 1.735 315 H LYS 44 HN LYS 44 14.133 -2.098 3.746 316 HA LYS 44 HA LYS 44 13.972 -4.642 2.708 317 1HB LYS 44 HB2 LYS 44 16.088 -3.484 2.925 318 2HB LYS 44 HB1 LYS 44 15.973 -3.523 4.679 319 1HG LYS 44 HG2 LYS 44 17.465 -5.222 4.224 320 2HG LYS 44 HG1 LYS 44 15.936 -6.088 4.392 321 1HD LYS 44 HD1 LYS 44 16.092 -5.345 1.696 322 2HD LYS 44 HD2 LYS 44 17.704 -5.922 2.126 323 1HE LYS 44 HE1 LYS 44 15.557 -7.594 3.176 324 2HE LYS 44 HE2 LYS 44 15.570 -7.498 1.416 325 1HZ LYS 44 HZ1 LYS 44 17.078 -9.182 2.859 326 2HZ LYS 44 HZ2 LYS 44 18.165 -7.909 2.615 327 3HZ LYS 44 HZ3 LYS 44 17.451 -8.678 1.288 328 H ARG 45 HN ARG 45 13.794 -3.651 6.100 329 HA ARG 45 HA ARG 45 13.646 -6.282 7.150 330 1HB ARG 45 HB1 ARG 45 14.183 -4.006 8.305 331 2HB ARG 45 HB2 ARG 45 12.447 -3.948 8.565 332 1HG ARG 45 HG2 ARG 45 13.950 -6.402 9.332 333 2HG ARG 45 HG1 ARG 45 14.042 -4.973 10.363 334 1HD ARG 45 HD2 ARG 45 11.446 -4.995 10.154 335 2HD ARG 45 HD1 ARG 45 11.682 -6.679 9.691 336 HE ARG 45 HE ARG 45 11.852 -5.599 12.310 337 1HH1 ARG 45 HH2 ARG 45 13.263 -8.003 10.216 338 2HH1 ARG 45 HH2 ARG 45 13.745 -9.039 11.518 339 1HH2 ARG 45 HH1 ARG 45 12.484 -6.959 14.028 340 2HH2 ARG 45 HH1 ARG 45 13.304 -8.445 13.683 341 H ALA 46 HN ALA 46 11.286 -3.962 6.009 342 HA ALA 46 HA ALA 46 8.957 -5.127 7.035 343 1HB ALA 46 HB1 ALA 46 8.687 -2.988 6.166 344 2HB ALA 46 HB2 ALA 46 7.877 -4.014 4.983 345 3HB ALA 46 HB3 ALA 46 9.494 -3.396 4.652 346 H LEU 47 HN LEU 47 10.575 -5.653 3.903 347 HA LEU 47 HA LEU 47 8.729 -7.511 2.891 348 1HB LEU 47 HB2 LEU 47 11.642 -7.044 2.319 349 2HB LEU 47 HB1 LEU 47 10.727 -8.294 1.504 350 HG LEU 47 HG LEU 47 10.546 -6.626 -0.040 351 1HD1 LEU 47 HD2 LEU 47 8.318 -5.546 1.624 352 2HD1 LEU 47 HD2 LEU 47 8.253 -7.209 1.044 353 3HD1 LEU 47 HD2 LEU 47 8.370 -5.878 -0.107 354 1HD2 LEU 47 HD1 LEU 47 11.608 -5.046 1.914 355 2HD2 LEU 47 HD1 LEU 47 10.031 -4.304 1.648 356 3HD2 LEU 47 HD1 LEU 47 11.148 -4.506 0.299 357 H GLN 48 HN GLN 48 11.533 -7.899 4.976 358 HA GLN 48 HA GLN 48 11.514 -10.759 4.885 359 1HB GLN 48 HB1 GLN 48 13.127 -8.683 6.081 360 2HB GLN 48 HB2 GLN 48 12.785 -9.944 7.256 361 1HG GLN 48 HG1 GLN 48 13.595 -11.611 5.586 362 2HG GLN 48 HG2 GLN 48 14.101 -10.261 4.573 363 1HE2 GLN 48 HE2 GLN 48 15.514 -12.462 6.134 364 2HE2 GLN 48 HE2 GLN 48 16.751 -11.620 6.999 365 H ASN 49 HN ASN 49 9.506 -8.521 6.356 366 HA ASN 49 HA ASN 49 8.475 -10.583 8.174 367 1HB ASN 49 HB2 ASN 49 9.828 -8.368 9.086 368 2HB ASN 49 HB1 ASN 49 8.149 -7.841 9.167 369 1HD2 ASN 49 HD2 ASN 49 6.650 -9.231 10.334 370 2HD2 ASN 49 HD2 ASN 49 7.228 -10.126 11.695 371 H MET 50 HN MET 50 7.389 -10.289 5.739 372 HA MET 50 HA MET 50 5.158 -8.430 5.883 373 1HB MET 50 HB1 MET 50 4.597 -9.288 3.638 374 2HB MET 50 HB2 MET 50 6.251 -8.701 3.730 375 1HG MET 50 HG1 MET 50 7.021 -11.022 3.973 376 2HG MET 50 HG2 MET 50 5.353 -11.565 3.807 377 1HE MET 50 HE1 MET 50 6.736 -8.637 0.907 378 2HE MET 50 HE2 MET 50 8.176 -9.654 0.974 379 3HE MET 50 HE3 MET 50 7.527 -8.947 2.454 380 H LYS 51 HN LYS 51 2.987 -9.029 5.962 381 HA LYS 51 HA LYS 51 2.508 -11.702 7.066 382 1HB LYS 51 HB2 LYS 51 1.730 -9.196 7.934 383 2HB LYS 51 HB1 LYS 51 0.284 -9.819 7.158 384 1HG LYS 51 HG1 LYS 51 -0.154 -11.107 8.907 385 2HG LYS 51 HG2 LYS 51 1.448 -11.844 8.820 386 1HD LYS 51 HD2 LYS 51 1.190 -9.111 9.978 387 2HD LYS 51 HD1 LYS 51 0.683 -10.495 10.949 388 1HE LYS 51 HE2 LYS 51 2.803 -11.300 11.160 389 2HE LYS 51 HE1 LYS 51 3.314 -10.667 9.596 390 1HZ LYS 51 HZ1 LYS 51 3.940 -9.601 12.005 391 2HZ LYS 51 HZ2 LYS 51 2.667 -8.612 11.492 392 3HZ LYS 51 HZ3 LYS 51 4.041 -8.793 10.523 393 HA PRO 52 HA PRO 52 0.406 -13.643 3.743 394 1HB PRO 52 HB1 PRO 52 -2.066 -13.280 5.385 395 2HB PRO 52 HB2 PRO 52 -1.479 -14.716 4.544 396 1HG PRO 52 HG1 PRO 52 -1.158 -14.239 7.240 397 2HG PRO 52 HG2 PRO 52 -0.147 -15.330 6.281 398 1HD PRO 52 HD1 PRO 52 0.607 -12.866 7.541 399 2HD PRO 52 HD2 PRO 52 1.620 -13.954 6.575 400 H GLY 53 HN GLY 53 -2.293 -11.708 4.965 401 1HA GLY 53 HA2 GLY 53 -2.498 -10.494 2.297 402 2HA GLY 53 HA1 GLY 53 -3.841 -10.735 3.399 403 H GLU 54 HN GLU 54 -0.676 -9.112 3.414 404 HA GLU 54 HA GLU 54 -1.785 -6.974 5.043 405 1HB GLU 54 HB2 GLU 54 0.912 -7.920 4.346 406 2HB GLU 54 HB1 GLU 54 0.759 -6.170 4.445 407 1HG GLU 54 HG2 GLU 54 -0.224 -6.425 6.699 408 2HG GLU 54 HG1 GLU 54 0.090 -8.157 6.597 409 H ILE 55 HN ILE 55 -1.747 -4.781 4.483 410 HA ILE 55 HA ILE 55 -1.358 -4.113 1.660 411 HB ILE 55 HB ILE 55 -3.757 -3.152 3.221 412 1HG1 ILE 55 HG1 ILE 55 -4.649 -4.689 1.068 413 2HG1 ILE 55 HG1 ILE 55 -3.334 -5.633 1.762 414 1HG2 ILE 55 HG2 ILE 55 -4.277 -2.830 0.553 415 2HG2 ILE 55 HG2 ILE 55 -2.552 -2.475 0.650 416 3HG2 ILE 55 HG2 ILE 55 -3.696 -1.571 1.642 417 1HD1 ILE 55 HD1 ILE 55 -6.003 -5.072 2.805 418 2HD1 ILE 55 HD1 ILE 55 -4.705 -4.907 3.988 419 3HD1 ILE 55 HD1 ILE 55 -4.917 -6.425 3.118 420 H LEU 56 HN LEU 56 0.335 -2.736 1.853 421 HA LEU 56 HA LEU 56 0.158 -0.665 3.936 422 1HB LEU 56 HB1 LEU 56 2.785 -1.348 2.740 423 2HB LEU 56 HB2 LEU 56 2.388 -0.856 4.374 424 HG LEU 56 HG LEU 56 1.795 -3.590 3.251 425 1HD1 LEU 56 HD1 LEU 56 4.235 -3.066 3.400 426 2HD1 LEU 56 HD1 LEU 56 3.707 -4.398 4.427 427 3HD1 LEU 56 HD1 LEU 56 4.015 -2.811 5.130 428 1HD2 LEU 56 HD2 LEU 56 0.321 -3.240 5.008 429 2HD2 LEU 56 HD2 LEU 56 1.494 -2.305 5.936 430 3HD2 LEU 56 HD2 LEU 56 1.684 -4.052 5.778 431 H GLU 57 HN GLU 57 0.800 1.418 3.494 432 HA GLU 57 HA GLU 57 1.021 2.103 0.637 433 1HB GLU 57 HB2 GLU 57 -1.040 2.983 1.417 434 2HB GLU 57 HB1 GLU 57 -0.321 3.543 2.920 435 1HG GLU 57 HG2 GLU 57 1.108 5.053 1.357 436 2HG GLU 57 HG1 GLU 57 -0.177 4.738 0.193 437 H VAL 58 HN VAL 58 2.821 3.135 0.020 438 HA VAL 58 HA VAL 58 4.601 4.155 2.134 439 HB VAL 58 HB VAL 58 5.594 3.366 -0.581 440 1HG1 VAL 58 HG2 VAL 58 6.791 3.589 2.169 441 2HG1 VAL 58 HG2 VAL 58 7.191 4.519 0.725 442 3HG1 VAL 58 HG2 VAL 58 7.623 2.812 0.822 443 1HG2 VAL 58 HG1 VAL 58 4.323 1.585 1.228 444 2HG2 VAL 58 HG1 VAL 58 6.053 1.246 1.251 445 3HG2 VAL 58 HG1 VAL 58 5.170 1.210 -0.274 446 H TRP 59 HN TRP 59 5.291 6.200 2.059 447 HA TRP 59 HA TRP 59 4.725 7.773 -0.374 448 1HB TRP 59 HB1 TRP 59 3.212 8.267 1.592 449 2HB TRP 59 HB2 TRP 59 4.636 8.834 2.458 450 HD1 TRP 59 HD1 TRP 59 3.831 9.628 -1.238 451 HE1 TRP 59 HE1 TRP 59 3.595 12.180 -1.475 452 HE3 TRP 59 HE3 TRP 59 4.238 10.946 3.688 453 HZ2 TRP 59 HZ2 TRP 59 3.583 14.450 0.201 454 HZ3 TRP 59 HZ3 TRP 59 4.104 13.330 4.285 455 HH2 TRP 59 HH2 TRP 59 3.782 15.045 2.575 456 H ILE 60 HN ILE 60 6.622 8.197 -1.319 457 HA ILE 60 HA ILE 60 8.673 9.588 0.162 458 HB ILE 60 HB ILE 60 10.266 7.722 -1.115 459 1HG1 ILE 60 HG1 ILE 60 9.415 5.579 0.060 460 2HG1 ILE 60 HG1 ILE 60 7.854 6.393 0.106 461 1HG2 ILE 60 HG2 ILE 60 9.710 8.657 1.545 462 2HG2 ILE 60 HG2 ILE 60 11.231 8.102 0.845 463 3HG2 ILE 60 HG2 ILE 60 10.115 6.941 1.565 464 1HD1 ILE 60 HD1 ILE 60 7.451 5.719 -1.954 465 2HD1 ILE 60 HD1 ILE 60 9.025 4.926 -2.007 466 3HD1 ILE 60 HD1 ILE 60 8.865 6.603 -2.528 467 H ASP 61 HN ASP 61 10.762 9.476 -1.580 468 HA ASP 61 HA ASP 61 9.591 10.621 -4.026 469 1HB ASP 61 HB2 ASP 61 12.285 11.395 -3.872 470 2HB ASP 61 HB1 ASP 61 10.872 12.398 -3.565 471 H TYR 62 HN TYR 62 11.220 7.945 -2.900 472 HA TYR 62 HA TYR 62 12.242 7.352 -5.597 473 1HB TYR 62 HB2 TYR 62 13.857 7.682 -3.421 474 2HB TYR 62 HB1 TYR 62 13.556 5.949 -3.361 475 HD1 TYR 62 HD1 TYR 62 14.973 8.676 -5.393 476 HD2 TYR 62 HD2 TYR 62 14.517 4.467 -4.975 477 HE1 TYR 62 HE1 TYR 62 16.690 8.324 -7.117 478 HE2 TYR 62 HE2 TYR 62 16.232 4.103 -6.699 479 HH TYR 62 HH TYR 62 17.389 6.610 -8.699 480 HA PRO 63 HA PRO 63 9.222 4.069 -5.291 481 1HB PRO 63 HB2 PRO 63 10.816 2.933 -7.521 482 2HB PRO 63 HB1 PRO 63 9.085 3.277 -7.434 483 1HG PRO 63 HG2 PRO 63 10.720 4.824 -8.867 484 2HG PRO 63 HG1 PRO 63 9.373 5.520 -7.946 485 1HD PRO 63 HD2 PRO 63 12.292 5.480 -7.298 486 2HD PRO 63 HD1 PRO 63 11.100 6.774 -7.053 487 H MET 64 HN MET 64 9.951 3.191 -3.315 488 HA MET 64 HA MET 64 12.273 1.576 -3.088 489 1HB MET 64 HB1 MET 64 9.799 1.828 -1.376 490 2HB MET 64 HB2 MET 64 11.157 0.797 -0.948 491 1HG MET 64 HG1 MET 64 12.505 3.039 -1.324 492 2HG MET 64 HG2 MET 64 10.937 3.752 -0.948 493 1HE MET 64 HE1 MET 64 10.587 3.703 2.623 494 2HE MET 64 HE2 MET 64 9.617 2.554 1.703 495 3HE MET 64 HE3 MET 64 10.019 4.123 1.008 496 H SER 65 HN SER 65 9.221 1.042 -4.451 497 HA SER 65 HA SER 65 8.867 -1.710 -3.964 498 1HB SER 65 HB1 SER 65 7.566 -1.520 -6.236 499 2HB SER 65 HB2 SER 65 6.958 -0.685 -4.807 500 HG SER 65 HG SER 65 6.961 0.783 -6.462 501 H LYS 66 HN LYS 66 11.116 -0.026 -5.893 502 HA LYS 66 HA LYS 66 11.565 -1.806 -7.996 503 1HB LYS 66 HB1 LYS 66 13.744 -0.777 -8.211 504 2HB LYS 66 HB2 LYS 66 12.566 0.465 -7.807 505 1HG LYS 66 HG1 LYS 66 13.351 0.642 -5.599 506 2HG LYS 66 HG2 LYS 66 14.267 -0.862 -5.721 507 1HD LYS 66 HD2 LYS 66 15.173 0.855 -7.779 508 2HD LYS 66 HD1 LYS 66 15.116 1.798 -6.288 509 1HE LYS 66 HE1 LYS 66 16.493 0.183 -5.154 510 2HE LYS 66 HE2 LYS 66 16.448 -0.893 -6.551 511 1HZ LYS 66 HZ1 LYS 66 17.828 1.710 -6.293 512 2HZ LYS 66 HZ2 LYS 66 17.522 1.008 -7.802 513 3HZ LYS 66 HZ3 LYS 66 18.493 0.202 -6.675 514 H GLU 67 HN GLU 67 12.545 -1.914 -4.652 515 HA GLU 67 HA GLU 67 14.217 -4.268 -5.113 516 1HB GLU 67 HB2 GLU 67 14.172 -2.159 -3.172 517 2HB GLU 67 HB1 GLU 67 13.982 -3.697 -2.342 518 1HG GLU 67 HG1 GLU 67 16.049 -3.923 -4.306 519 2HG GLU 67 HG2 GLU 67 16.346 -2.515 -3.288 520 H ARG 68 HN ARG 68 11.137 -3.301 -3.844 521 HA ARG 68 HA ARG 68 10.518 -5.605 -2.353 522 1HB ARG 68 HB1 ARG 68 8.808 -3.537 -3.722 523 2HB ARG 68 HB2 ARG 68 8.108 -4.871 -2.815 524 1HG ARG 68 HG1 ARG 68 9.158 -4.128 -0.794 525 2HG ARG 68 HG2 ARG 68 10.057 -2.886 -1.667 526 1HD ARG 68 HD2 ARG 68 8.169 -1.583 -2.017 527 2HD ARG 68 HD1 ARG 68 7.068 -2.936 -1.755 528 HE ARG 68 HE ARG 68 7.809 -2.791 0.644 529 1HH1 ARG 68 HH1 ARG 68 7.880 -0.026 -1.475 530 2HH1 ARG 68 HH1 ARG 68 7.714 1.124 -0.191 531 1HH2 ARG 68 HH2 ARG 68 7.589 -1.284 2.341 532 2HH2 ARG 68 HH2 ARG 68 7.548 0.409 1.977 533 H ILE 69 HN ILE 69 10.059 -4.821 -5.779 534 HA ILE 69 HA ILE 69 8.459 -6.993 -6.478 535 HB ILE 69 HB ILE 69 10.512 -5.635 -8.216 536 1HG1 ILE 69 HG1 ILE 69 7.595 -5.033 -8.355 537 2HG1 ILE 69 HG1 ILE 69 8.507 -4.351 -7.011 538 1HG2 ILE 69 HG2 ILE 69 9.711 -7.806 -9.075 539 2HG2 ILE 69 HG2 ILE 69 9.222 -6.447 -10.087 540 3HG2 ILE 69 HG2 ILE 69 8.057 -7.199 -8.998 541 1HD1 ILE 69 HD1 ILE 69 9.623 -2.903 -8.325 542 2HD1 ILE 69 HD1 ILE 69 8.204 -3.115 -9.352 543 3HD1 ILE 69 HD1 ILE 69 9.682 -4.016 -9.693 544 HA PRO 70 HA PRO 70 12.697 -9.286 -7.734 545 1HB PRO 70 HB1 PRO 70 14.239 -8.117 -5.458 546 2HB PRO 70 HB2 PRO 70 14.808 -8.655 -7.043 547 1HG PRO 70 HG2 PRO 70 14.507 -6.063 -6.524 548 2HG PRO 70 HG1 PRO 70 14.064 -6.729 -8.106 549 1HD PRO 70 HD2 PRO 70 12.317 -5.857 -5.859 550 2HD PRO 70 HD1 PRO 70 12.031 -5.780 -7.607 551 H GLU 71 HN GLU 71 12.113 -8.408 -4.318 552 HA GLU 71 HA GLU 71 12.622 -11.004 -3.324 553 1HB GLU 71 HB2 GLU 71 12.411 -8.576 -2.206 554 2HB GLU 71 HB1 GLU 71 10.803 -9.184 -1.850 555 1HG GLU 71 HG1 GLU 71 11.583 -10.816 -0.445 556 2HG GLU 71 HG2 GLU 71 13.151 -10.893 -1.246 557 H THR 72 HN THR 72 9.584 -9.256 -3.956 558 HA THR 72 HA THR 72 7.840 -11.262 -3.132 559 HB THR 72 HB THR 72 7.264 -9.348 -5.390 560 HG1 THR 72 HG1 THR 72 7.709 -8.867 -2.692 561 1HG2 THR 72 HG2 THR 72 5.633 -11.013 -3.621 562 2HG2 THR 72 HG2 THR 72 5.276 -10.347 -5.215 563 3HG2 THR 72 HG2 THR 72 5.098 -9.340 -3.778 564 H VAL 73 HN VAL 73 9.108 -10.628 -6.418 565 HA VAL 73 HA VAL 73 7.732 -12.651 -7.716 566 HB VAL 73 HB VAL 73 9.367 -12.460 -9.467 567 1HG1 VAL 73 HG1 VAL 73 9.407 -9.956 -9.751 568 2HG1 VAL 73 HG1 VAL 73 8.654 -9.864 -8.159 569 3HG1 VAL 73 HG1 VAL 73 7.824 -10.684 -9.480 570 1HG2 VAL 73 HG2 VAL 73 11.054 -10.782 -7.641 571 2HG2 VAL 73 HG2 VAL 73 11.439 -11.300 -9.282 572 3HG2 VAL 73 HG2 VAL 73 11.363 -12.485 -7.978 573 H LYS 74 HN LYS 74 10.582 -12.762 -5.696 574 HA LYS 74 HA LYS 74 11.600 -15.269 -6.457 575 1HB LYS 74 HB1 LYS 74 11.595 -13.797 -3.823 576 2HB LYS 74 HB2 LYS 74 12.366 -15.365 -4.009 577 1HG LYS 74 HG2 LYS 74 13.071 -13.138 -5.866 578 2HG LYS 74 HG1 LYS 74 13.766 -13.197 -4.245 579 1HD LYS 74 HD2 LYS 74 13.920 -15.786 -5.479 580 2HD LYS 74 HD1 LYS 74 14.637 -14.566 -6.534 581 1HE LYS 74 HE2 LYS 74 16.475 -14.741 -5.290 582 2HE LYS 74 HE1 LYS 74 15.581 -13.903 -4.022 583 1HZ LYS 74 HZ1 LYS 74 16.479 -16.599 -4.105 584 2HZ LYS 74 HZ2 LYS 74 14.813 -16.530 -3.827 585 3HZ LYS 74 HZ3 LYS 74 15.876 -15.711 -2.797 586 H LYS 75 HN LYS 75 9.072 -14.296 -4.213 587 HA LYS 75 HA LYS 75 8.325 -17.072 -3.705 588 1HB LYS 75 HB1 LYS 75 6.930 -14.579 -2.725 589 2HB LYS 75 HB2 LYS 75 6.782 -16.210 -2.084 590 1HG LYS 75 HG2 LYS 75 8.366 -15.734 -0.617 591 2HG LYS 75 HG1 LYS 75 9.510 -15.555 -1.950 592 1HD LYS 75 HD2 LYS 75 9.634 -13.529 -0.767 593 2HD LYS 75 HD1 LYS 75 8.629 -13.176 -2.174 594 1HE LYS 75 HE2 LYS 75 7.573 -12.169 -0.302 595 2HE LYS 75 HE1 LYS 75 6.625 -13.595 -0.722 596 1HZ LYS 75 HZ1 LYS 75 8.455 -13.216 1.565 597 2HZ LYS 75 HZ2 LYS 75 8.025 -14.765 1.036 598 3HZ LYS 75 HZ3 LYS 75 6.833 -13.694 1.577 599 H LEU 76 HN LEU 76 6.209 -14.289 -4.314 600 HA LEU 76 HA LEU 76 4.682 -15.931 -6.210 601 1HB LEU 76 HB1 LEU 76 3.125 -13.770 -5.909 602 2HB LEU 76 HB2 LEU 76 3.038 -15.168 -4.853 603 HG LEU 76 HG LEU 76 4.918 -12.998 -4.083 604 1HD1 LEU 76 HD2 LEU 76 3.007 -11.829 -2.940 605 2HD1 LEU 76 HD2 LEU 76 1.923 -12.756 -3.977 606 3HD1 LEU 76 HD2 LEU 76 3.081 -11.634 -4.691 607 1HD2 LEU 76 HD1 LEU 76 4.663 -15.075 -2.774 608 2HD2 LEU 76 HD1 LEU 76 2.966 -14.676 -2.513 609 3HD2 LEU 76 HD1 LEU 76 4.228 -13.633 -1.855 610 H GLY 77 HN GLY 77 4.347 -12.503 -6.252 611 1HA GLY 77 HA2 GLY 77 6.124 -12.201 -8.550 612 2HA GLY 77 HA1 GLY 77 4.414 -11.879 -8.801 613 H HIS 78 HN HIS 78 3.435 -10.122 -7.679 614 HA HIS 78 HA HIS 78 5.180 -8.297 -6.247 615 1HB HIS 78 HB1 HIS 78 3.994 -6.462 -7.851 616 2HB HIS 78 HB2 HIS 78 5.605 -7.117 -8.136 617 HD2 HIS 78 HD2 HIS 78 5.761 -7.496 -10.780 618 HE1 HIS 78 HE1 HIS 78 1.940 -9.239 -11.313 619 HE2 HIS 78 HE2 HIS 78 4.111 -8.594 -12.456 620 H GLU 79 HN GLU 79 4.039 -6.701 -5.033 621 HA GLU 79 HA GLU 79 1.264 -7.453 -4.506 622 1HB GLU 79 HB1 GLU 79 2.857 -5.574 -2.801 623 2HB GLU 79 HB2 GLU 79 1.579 -6.682 -2.334 624 1HG GLU 79 HG2 GLU 79 2.999 -8.364 -1.965 625 2HG GLU 79 HG1 GLU 79 3.958 -7.999 -3.399 626 H VAL 80 HN VAL 80 0.882 -6.254 -6.625 627 HA VAL 80 HA VAL 80 0.953 -3.352 -6.320 628 HB VAL 80 HB VAL 80 -0.131 -4.412 -8.828 629 1HG1 VAL 80 HG1 VAL 80 1.067 -2.093 -7.926 630 2HG1 VAL 80 HG1 VAL 80 0.708 -2.499 -9.603 631 3HG1 VAL 80 HG1 VAL 80 2.305 -2.837 -8.937 632 1HG2 VAL 80 HG2 VAL 80 1.361 -6.223 -8.572 633 2HG2 VAL 80 HG2 VAL 80 2.628 -5.189 -7.911 634 3HG2 VAL 80 HG2 VAL 80 2.195 -5.071 -9.617 635 H LEU 81 HN LEU 81 -0.762 -2.221 -5.759 636 HA LEU 81 HA LEU 81 -3.423 -3.248 -6.413 637 1HB LEU 81 HB2 LEU 81 -4.283 -2.949 -4.288 638 2HB LEU 81 HB1 LEU 81 -2.694 -3.612 -3.969 639 HG LEU 81 HG LEU 81 -2.152 -0.951 -3.881 640 1HD1 LEU 81 HD1 LEU 81 -4.660 -1.000 -2.323 641 2HD1 LEU 81 HD1 LEU 81 -4.816 -0.830 -4.071 642 3HD1 LEU 81 HD1 LEU 81 -3.863 0.336 -3.152 643 1HD2 LEU 81 HD2 LEU 81 -2.831 -1.466 -1.286 644 2HD2 LEU 81 HD2 LEU 81 -1.312 -1.925 -2.052 645 3HD2 LEU 81 HD2 LEU 81 -2.631 -3.093 -1.945 646 H GLU 82 HN GLU 82 -1.399 -0.481 -5.615 647 HA GLU 82 HA GLU 82 -3.002 1.151 -7.383 648 1HB GLU 82 HB1 GLU 82 -4.314 1.623 -5.529 649 2HB GLU 82 HB2 GLU 82 -2.938 1.617 -4.445 650 1HG GLU 82 HG1 GLU 82 -2.731 3.808 -4.619 651 2HG GLU 82 HG2 GLU 82 -2.587 3.685 -6.372 652 H ILE 83 HN ILE 83 -1.963 2.973 -8.167 653 HA ILE 83 HA ILE 83 0.706 3.605 -7.150 654 HB ILE 83 HB ILE 83 0.182 3.033 -10.070 655 1HG1 ILE 83 HG1 ILE 83 2.286 1.468 -8.888 656 2HG1 ILE 83 HG1 ILE 83 0.805 1.258 -7.959 657 1HG2 ILE 83 HG2 ILE 83 1.949 4.817 -9.085 658 2HG2 ILE 83 HG2 ILE 83 2.197 3.904 -10.573 659 3HG2 ILE 83 HG2 ILE 83 2.930 3.352 -9.068 660 1HD1 ILE 83 HD1 ILE 83 1.282 0.667 -10.856 661 2HD1 ILE 83 HD1 ILE 83 -0.338 0.789 -10.169 662 3HD1 ILE 83 HD1 ILE 83 0.782 -0.434 -9.572 663 H GLU 84 HN GLU 84 1.150 5.765 -7.227 664 HA GLU 84 HA GLU 84 -0.207 7.518 -9.074 665 1HB GLU 84 HB1 GLU 84 -1.063 8.945 -7.103 666 2HB GLU 84 HB2 GLU 84 -1.986 7.522 -7.566 667 1HG GLU 84 HG2 GLU 84 -0.982 6.259 -5.746 668 2HG GLU 84 HG1 GLU 84 -0.024 7.668 -5.289 669 H GLU 85 HN GLU 85 0.259 9.913 -8.264 670 HA GLU 85 HA GLU 85 3.025 10.043 -7.274 671 1HB GLU 85 HB2 GLU 85 2.771 12.118 -9.145 672 2HB GLU 85 HB1 GLU 85 3.755 10.669 -9.291 673 1HG GLU 85 HG2 GLU 85 2.545 10.533 -11.211 674 2HG GLU 85 HG1 GLU 85 1.508 9.607 -10.126 675 H VAL 86 HN VAL 86 3.659 12.249 -6.581 676 HA VAL 86 HA VAL 86 1.335 13.755 -5.566 677 HB VAL 86 HB VAL 86 3.956 13.292 -4.138 678 1HG1 VAL 86 HG1 VAL 86 3.163 15.456 -3.556 679 2HG1 VAL 86 HG1 VAL 86 2.731 14.380 -2.226 680 3HG1 VAL 86 HG1 VAL 86 1.505 14.876 -3.394 681 1HG2 VAL 86 HG2 VAL 86 1.241 12.067 -3.887 682 2HG2 VAL 86 HG2 VAL 86 2.296 12.188 -2.479 683 3HG2 VAL 86 HG2 VAL 86 2.822 11.288 -3.902 684 H GLY 87 HN GLY 87 4.877 14.199 -5.759 685 1HA GLY 87 HA1 GLY 87 4.349 16.846 -6.965 686 2HA GLY 87 HA2 GLY 87 5.616 16.581 -5.777 687 HA PRO 88 HA PRO 88 7.710 16.587 -9.905 688 1HB PRO 88 HB1 PRO 88 9.983 17.014 -8.034 689 2HB PRO 88 HB2 PRO 88 9.594 17.848 -9.542 690 1HG PRO 88 HG2 PRO 88 9.171 19.022 -7.189 691 2HG PRO 88 HG1 PRO 88 8.025 19.224 -8.527 692 1HD PRO 88 HD1 PRO 88 7.809 17.516 -6.085 693 2HD PRO 88 HD2 PRO 88 6.550 18.432 -6.938 694 H SER 89 HN SER 89 9.829 15.498 -7.282 695 HA SER 89 HA SER 89 10.146 12.950 -8.688 696 1HB SER 89 HB2 SER 89 11.877 13.583 -6.364 697 2HB SER 89 HB1 SER 89 12.295 12.869 -7.922 698 HG SER 89 HG SER 89 12.424 14.852 -8.814 699 H GLU 90 HN GLU 90 8.339 14.182 -6.264 700 HA GLU 90 HA GLU 90 8.476 11.827 -4.538 701 1HB GLU 90 HB2 GLU 90 6.460 13.366 -3.504 702 2HB GLU 90 HB1 GLU 90 8.143 13.438 -3.004 703 1HG GLU 90 HG2 GLU 90 7.448 15.099 -5.327 704 2HG GLU 90 HG1 GLU 90 6.700 15.567 -3.800 705 H TRP 91 HN TRP 91 6.887 10.318 -4.381 706 HA TRP 91 HA TRP 91 4.340 10.723 -5.700 707 1HB TRP 91 HB2 TRP 91 4.844 8.316 -6.791 708 2HB TRP 91 HB1 TRP 91 5.155 9.832 -7.630 709 HD1 TRP 91 HD1 TRP 91 7.114 7.343 -5.384 710 HE1 TRP 91 HE1 TRP 91 9.548 7.281 -6.216 711 HE3 TRP 91 HE3 TRP 91 6.807 10.882 -9.064 712 HZ2 TRP 91 HZ2 TRP 91 11.129 8.562 -8.174 713 HZ3 TRP 91 HZ3 TRP 91 8.826 11.404 -10.368 714 HH2 TRP 91 HH2 TRP 91 10.943 10.266 -9.931 715 H LYS 92 HN LYS 92 2.960 8.666 -5.467 716 HA LYS 92 HA LYS 92 3.542 7.416 -2.868 717 1HB LYS 92 HB2 LYS 92 1.520 9.154 -3.300 718 2HB LYS 92 HB1 LYS 92 0.721 7.650 -3.741 719 1HG LYS 92 HG2 LYS 92 0.714 6.869 -1.626 720 2HG LYS 92 HG1 LYS 92 2.248 7.639 -1.220 721 1HD LYS 92 HD2 LYS 92 0.664 8.791 0.061 722 2HD LYS 92 HD1 LYS 92 0.961 9.846 -1.323 723 1HE LYS 92 HE2 LYS 92 -1.101 9.461 -2.237 724 2HE LYS 92 HE1 LYS 92 -1.240 7.857 -1.519 725 1HZ LYS 92 HZ1 LYS 92 -2.167 10.359 -0.528 726 2HZ LYS 92 HZ2 LYS 92 -1.182 9.585 0.609 727 3HZ LYS 92 HZ3 LYS 92 -2.545 8.794 -0.009 728 H ILE 93 HN ILE 93 3.452 5.252 -2.769 729 HA ILE 93 HA ILE 93 2.309 3.812 -5.072 730 HB ILE 93 HB ILE 93 4.702 2.831 -3.530 731 1HG1 ILE 93 HG1 ILE 93 5.656 3.582 -6.001 732 2HG1 ILE 93 HG1 ILE 93 4.541 4.890 -5.617 733 1HG2 ILE 93 HG2 ILE 93 4.984 1.573 -5.754 734 2HG2 ILE 93 HG2 ILE 93 3.307 2.025 -6.057 735 3HG2 ILE 93 HG2 ILE 93 3.716 1.043 -4.650 736 1HD1 ILE 93 HD1 ILE 93 6.325 4.133 -3.425 737 2HD1 ILE 93 HD1 ILE 93 5.880 5.726 -4.036 738 3HD1 ILE 93 HD1 ILE 93 7.132 4.788 -4.848 739 H TYR 94 HN TYR 94 1.241 1.897 -4.644 740 HA TYR 94 HA TYR 94 0.753 1.329 -1.796 741 1HB TYR 94 HB1 TYR 94 -1.123 1.417 -4.135 742 2HB TYR 94 HB2 TYR 94 -1.491 0.398 -2.748 743 HD1 TYR 94 HD1 TYR 94 -2.920 1.310 -1.203 744 HD2 TYR 94 HD2 TYR 94 -0.322 3.904 -3.350 745 HE1 TYR 94 HE1 TYR 94 -3.891 3.240 -0.031 746 HE2 TYR 94 HE2 TYR 94 -1.285 5.843 -2.185 747 HH TYR 94 HH TYR 94 -3.571 6.346 -1.024 748 H ILE 95 HN ILE 95 1.363 -0.591 -1.141 749 HA ILE 95 HA ILE 95 1.564 -2.792 -3.091 750 HB ILE 95 HB ILE 95 3.656 -1.598 -1.708 751 1HG1 ILE 95 HG1 ILE 95 4.877 -3.776 -2.425 752 2HG1 ILE 95 HG1 ILE 95 3.324 -4.225 -3.122 753 1HG2 ILE 95 HG2 ILE 95 4.441 -3.026 -0.032 754 2HG2 ILE 95 HG2 ILE 95 3.297 -4.300 -0.456 755 3HG2 ILE 95 HG2 ILE 95 2.726 -2.825 0.325 756 1HD1 ILE 95 HD1 ILE 95 3.390 -2.515 -4.684 757 2HD1 ILE 95 HD1 ILE 95 5.059 -3.084 -4.618 758 3HD1 ILE 95 HD1 ILE 95 4.598 -1.603 -3.779 759 H LYS 96 HN LYS 96 1.048 -4.916 -2.308 760 HA LYS 96 HA LYS 96 -0.048 -5.095 0.385 761 1HB LYS 96 HB1 LYS 96 -2.240 -5.997 -0.544 762 2HB LYS 96 HB2 LYS 96 -1.988 -4.265 -0.652 763 1HG LYS 96 HG2 LYS 96 -2.493 -4.435 -2.803 764 2HG LYS 96 HG1 LYS 96 -0.950 -5.263 -3.020 765 1HD LYS 96 HD1 LYS 96 -1.997 -7.144 -3.550 766 2HD LYS 96 HD2 LYS 96 -2.876 -7.121 -2.018 767 1HE LYS 96 HE1 LYS 96 -4.472 -5.494 -3.103 768 2HE LYS 96 HE2 LYS 96 -3.677 -5.861 -4.633 769 1HZ LYS 96 HZ1 LYS 96 -4.616 -8.115 -3.029 770 2HZ LYS 96 HZ2 LYS 96 -4.571 -7.927 -4.710 771 3HZ LYS 96 HZ3 LYS 96 -5.789 -7.177 -3.807 772 H VAL 97 HN VAL 97 0.965 -6.833 1.104 773 HA VAL 97 HA VAL 97 1.893 -8.992 -0.411 774 HB VAL 97 HB VAL 97 1.065 -9.248 2.472 775 1HG1 VAL 97 HG2 VAL 97 3.058 -10.710 2.566 776 2HG1 VAL 97 HG2 VAL 97 3.279 -10.473 0.833 777 3HG1 VAL 97 HG2 VAL 97 1.832 -11.282 1.434 778 1HG2 VAL 97 HG1 VAL 97 3.458 -8.446 2.929 779 2HG2 VAL 97 HG1 VAL 97 2.235 -7.232 2.554 780 3HG2 VAL 97 HG1 VAL 97 3.384 -7.740 1.314 781 H LYS 98 HN LYS 98 0.791 -10.519 -1.456 782 HA LYS 98 HA LYS 98 -2.023 -10.910 -0.979 783 1HB LYS 98 HB2 LYS 98 -0.526 -11.085 -3.209 784 2HB LYS 98 HB1 LYS 98 -0.540 -12.779 -2.743 785 1HG LYS 98 HG2 LYS 98 -3.116 -11.290 -2.820 786 2HG LYS 98 HG1 LYS 98 -2.372 -11.809 -4.334 787 1HD LYS 98 HD2 LYS 98 -2.262 -13.982 -2.509 788 2HD LYS 98 HD1 LYS 98 -3.906 -13.341 -2.499 789 1HE LYS 98 HE2 LYS 98 -4.227 -14.589 -4.323 790 2HE LYS 98 HE1 LYS 98 -3.289 -13.357 -5.169 791 1HZ LYS 98 HZ1 LYS 98 -2.666 -16.049 -4.836 792 2HZ LYS 98 HZ2 LYS 98 -1.532 -15.175 -3.937 793 3HZ LYS 98 HZ3 LYS 98 -1.733 -14.854 -5.586 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 13.527 -12.521 13.575 2 2H GLY 1 HT2 GLY 1 14.045 -12.774 11.985 3 3H GLY 1 HT3 GLY 1 14.264 -11.264 12.716 4 1HA GLY 1 HA1 GLY 1 15.536 -12.872 14.452 5 2HA GLY 1 HA2 GLY 1 15.855 -13.667 12.917 6 H SER 2 HN SER 2 15.801 -10.363 14.259 7 HA SER 2 HA SER 2 18.081 -9.688 12.552 8 1HB SER 2 HB2 SER 2 15.783 -8.263 13.380 9 2HB SER 2 HB1 SER 2 17.161 -7.477 14.150 10 HG SER 2 HG SER 2 16.656 -6.694 12.009 11 H SER 3 HN SER 3 17.183 -8.630 15.830 12 HA SER 3 HA SER 3 19.789 -9.535 16.813 13 1HB SER 3 HB1 SER 3 19.869 -7.259 18.082 14 2HB SER 3 HB2 SER 3 20.371 -7.310 16.392 15 HG SER 3 HG SER 3 17.905 -6.838 16.154 16 H HIS 4 HN HIS 4 17.284 -7.437 18.210 17 HA HIS 4 HA HIS 4 16.668 -9.565 20.147 18 1HB HIS 4 HB1 HIS 4 16.920 -6.633 20.850 19 2HB HIS 4 HB2 HIS 4 16.629 -7.969 21.960 20 HD2 HIS 4 HD2 HIS 4 18.840 -9.063 23.039 21 HE1 HIS 4 HE1 HIS 4 21.634 -7.245 20.429 22 HE2 HIS 4 HE2 HIS 4 21.349 -8.686 22.497 23 H HIS 5 HN HIS 5 14.823 -9.973 18.793 24 HA HIS 5 HA HIS 5 12.725 -7.918 19.007 25 1HB HIS 5 HB2 HIS 5 13.312 -9.989 16.920 26 2HB HIS 5 HB1 HIS 5 11.665 -9.403 17.128 27 HD2 HIS 5 HD2 HIS 5 11.798 -8.171 14.618 28 HE1 HIS 5 HE1 HIS 5 14.596 -5.246 15.855 29 HE2 HIS 5 HE2 HIS 5 12.992 -5.947 14.019 30 H HIS 6 HN HIS 6 12.313 -8.690 21.188 31 HA HIS 6 HA HIS 6 11.089 -11.341 21.371 32 1HB HIS 6 HB1 HIS 6 12.716 -9.918 23.108 33 2HB HIS 6 HB2 HIS 6 11.114 -9.757 23.821 34 HD2 HIS 6 HD2 HIS 6 10.102 -11.992 25.022 35 HE1 HIS 6 HE1 HIS 6 13.374 -14.510 24.083 36 HE2 HIS 6 HE2 HIS 6 11.219 -14.304 25.404 37 H HIS 7 HN HIS 7 10.302 -8.131 22.716 38 HA HIS 7 HA HIS 7 7.498 -8.598 21.949 39 1HB HIS 7 HB1 HIS 7 8.634 -7.798 24.599 40 2HB HIS 7 HB2 HIS 7 7.064 -7.161 24.122 41 HD2 HIS 7 HD2 HIS 7 6.465 -8.872 26.490 42 HE1 HIS 7 HE1 HIS 7 6.159 -12.247 23.955 43 HE2 HIS 7 HE2 HIS 7 5.631 -11.318 26.255 44 H HIS 8 HN HIS 8 6.378 -6.861 21.171 45 HA HIS 8 HA HIS 8 7.964 -4.432 20.690 46 1HB HIS 8 HB2 HIS 8 6.036 -4.089 18.929 47 2HB HIS 8 HB1 HIS 8 7.380 -5.170 18.581 48 HD2 HIS 8 HD2 HIS 8 6.699 -7.714 17.998 49 HE1 HIS 8 HE1 HIS 8 2.641 -7.426 19.170 50 HE2 HIS 8 HE2 HIS 8 4.393 -8.901 18.079 51 H HIS 9 HN HIS 9 6.984 -2.373 20.903 52 HA HIS 9 HA HIS 9 4.867 -2.334 22.927 53 1HB HIS 9 HB1 HIS 9 6.794 -0.179 22.029 54 2HB HIS 9 HB2 HIS 9 5.576 0.024 23.285 55 HD2 HIS 9 HD2 HIS 9 8.626 0.414 24.161 56 HE1 HIS 9 HE1 HIS 9 8.265 -3.475 25.793 57 HE2 HIS 9 HE2 HIS 9 9.617 -1.329 25.808 58 H SER 10 HN SER 10 4.001 -2.928 20.358 59 HA SER 10 HA SER 10 3.064 -0.557 19.037 60 1HB SER 10 HB1 SER 10 3.545 -2.933 18.042 61 2HB SER 10 HB2 SER 10 1.892 -3.276 18.552 62 HG SER 10 HG SER 10 1.937 -0.923 17.301 63 H SER 11 HN SER 11 1.637 0.668 20.110 64 HA SER 11 HA SER 11 -0.349 -0.439 21.855 65 1HB SER 11 HB2 SER 11 0.798 2.114 21.409 66 2HB SER 11 HB1 SER 11 -0.937 2.281 21.138 67 HG SER 11 HG SER 11 -0.771 0.838 23.271 68 H GLY 12 HN GLY 12 -2.439 1.520 21.056 69 1HA GLY 12 HA2 GLY 12 -3.799 -0.202 19.174 70 2HA GLY 12 HA1 GLY 12 -4.474 1.204 19.980 71 H LEU 13 HN LEU 13 -5.068 0.792 17.366 72 HA LEU 13 HA LEU 13 -3.281 2.093 15.575 73 1HB LEU 13 HB1 LEU 13 -5.601 0.586 15.348 74 2HB LEU 13 HB2 LEU 13 -6.083 2.176 14.790 75 HG LEU 13 HG LEU 13 -3.652 0.774 13.702 76 1HD1 LEU 13 HD1 LEU 13 -5.025 -0.735 12.800 77 2HD1 LEU 13 HD1 LEU 13 -5.596 0.578 11.770 78 3HD1 LEU 13 HD1 LEU 13 -6.464 0.178 13.251 79 1HD2 LEU 13 HD2 LEU 13 -4.072 2.277 11.785 80 2HD2 LEU 13 HD2 LEU 13 -3.729 3.145 13.281 81 3HD2 LEU 13 HD2 LEU 13 -5.386 3.023 12.694 82 H VAL 14 HN VAL 14 -3.559 4.133 14.543 83 HA VAL 14 HA VAL 14 -4.247 6.235 16.336 84 HB VAL 14 HB VAL 14 -3.853 6.666 13.394 85 1HG1 VAL 14 HG1 VAL 14 -2.772 8.268 15.690 86 2HG1 VAL 14 HG1 VAL 14 -4.408 8.507 15.072 87 3HG1 VAL 14 HG1 VAL 14 -3.019 8.765 14.015 88 1HG2 VAL 14 HG2 VAL 14 -1.445 6.631 13.698 89 2HG2 VAL 14 HG2 VAL 14 -2.134 5.060 14.104 90 3HG2 VAL 14 HG2 VAL 14 -1.646 6.165 15.388 91 HA PRO 15 HA PRO 15 -8.620 6.480 15.535 92 1HB PRO 15 HB1 PRO 15 -8.222 9.343 16.226 93 2HB PRO 15 HB2 PRO 15 -9.348 8.165 16.909 94 1HG PRO 15 HG2 PRO 15 -7.186 8.926 18.265 95 2HG PRO 15 HG1 PRO 15 -7.739 7.242 18.304 96 1HD PRO 15 HD1 PRO 15 -5.463 8.459 16.794 97 2HD PRO 15 HD2 PRO 15 -5.567 6.879 17.600 98 H ARG 16 HN ARG 16 -6.339 8.831 14.233 99 HA ARG 16 HA ARG 16 -8.198 9.749 12.214 100 1HB ARG 16 HB1 ARG 16 -5.550 10.540 13.209 101 2HB ARG 16 HB2 ARG 16 -5.741 10.720 11.471 102 1HG ARG 16 HG2 ARG 16 -7.826 11.790 13.321 103 2HG ARG 16 HG1 ARG 16 -6.335 12.691 13.041 104 1HD ARG 16 HD1 ARG 16 -6.898 12.280 10.525 105 2HD ARG 16 HD2 ARG 16 -8.532 12.015 11.134 106 HE ARG 16 HE ARG 16 -7.332 14.447 12.081 107 1HH1 ARG 16 HH2 ARG 16 -9.137 12.970 9.491 108 2HH1 ARG 16 HH2 ARG 16 -9.833 14.462 8.954 109 1HH2 ARG 16 HH1 ARG 16 -8.244 16.415 11.379 110 2HH2 ARG 16 HH1 ARG 16 -9.325 16.419 10.026 111 H GLY 17 HN GLY 17 -7.434 6.891 12.241 112 1HA GLY 17 HA1 GLY 17 -5.595 6.344 10.164 113 2HA GLY 17 HA2 GLY 17 -6.821 5.240 10.768 114 H SER 18 HN SER 18 -6.479 4.892 8.251 115 HA SER 18 HA SER 18 -8.009 6.692 6.598 116 1HB SER 18 HB2 SER 18 -6.212 4.436 6.200 117 2HB SER 18 HB1 SER 18 -7.629 4.343 5.152 118 HG SER 18 HG SER 18 -5.912 5.555 4.219 119 H HIS 19 HN HIS 19 -9.363 5.335 8.869 120 HA HIS 19 HA HIS 19 -10.987 3.237 8.177 121 1HB HIS 19 HB1 HIS 19 -10.806 4.904 10.331 122 2HB HIS 19 HB2 HIS 19 -12.376 5.359 9.676 123 HD2 HIS 19 HD2 HIS 19 -13.759 4.155 11.746 124 HE1 HIS 19 HE1 HIS 19 -12.507 0.224 10.797 125 HE2 HIS 19 HE2 HIS 19 -14.087 1.622 12.205 126 H MET 20 HN MET 20 -11.666 6.696 7.627 127 HA MET 20 HA MET 20 -14.185 6.460 6.509 128 1HB MET 20 HB2 MET 20 -12.039 8.458 6.493 129 2HB MET 20 HB1 MET 20 -13.074 8.526 5.073 130 1HG MET 20 HG2 MET 20 -14.980 8.403 6.890 131 2HG MET 20 HG1 MET 20 -13.712 9.065 7.921 132 1HE MET 20 HE1 MET 20 -13.309 11.624 8.110 133 2HE MET 20 HE2 MET 20 -14.970 11.159 8.480 134 3HE MET 20 HE3 MET 20 -14.653 12.602 7.517 135 H ALA 21 HN ALA 21 -11.079 6.600 4.755 136 HA ALA 21 HA ALA 21 -12.176 6.097 2.208 137 1HB ALA 21 HB1 ALA 21 -10.093 6.937 1.946 138 2HB ALA 21 HB2 ALA 21 -9.664 5.228 1.886 139 3HB ALA 21 HB3 ALA 21 -9.467 6.134 3.387 140 H LYS 22 HN LYS 22 -11.825 4.164 0.879 141 HA LYS 22 HA LYS 22 -12.500 1.770 2.385 142 1HB LYS 22 HB2 LYS 22 -12.839 2.699 -0.399 143 2HB LYS 22 HB1 LYS 22 -12.538 0.976 -0.213 144 1HG LYS 22 HG1 LYS 22 -14.449 0.770 1.261 145 2HG LYS 22 HG2 LYS 22 -14.730 2.510 1.169 146 1HD LYS 22 HD2 LYS 22 -14.614 1.657 -1.482 147 2HD LYS 22 HD1 LYS 22 -15.549 0.417 -0.643 148 1HE LYS 22 HE1 LYS 22 -17.208 1.900 -0.021 149 2HE LYS 22 HE2 LYS 22 -16.151 3.304 -0.168 150 1HZ LYS 22 HZ1 LYS 22 -17.315 3.567 -2.066 151 2HZ LYS 22 HZ2 LYS 22 -17.703 1.927 -2.209 152 3HZ LYS 22 HZ3 LYS 22 -16.176 2.478 -2.681 153 H TYR 23 HN TYR 23 -9.784 2.856 2.442 154 HA TYR 23 HA TYR 23 -8.280 0.746 1.063 155 1HB TYR 23 HB2 TYR 23 -7.472 3.414 2.211 156 2HB TYR 23 HB1 TYR 23 -6.282 2.194 1.770 157 HD1 TYR 23 HD1 TYR 23 -8.441 4.807 0.574 158 HD2 TYR 23 HD2 TYR 23 -6.179 1.411 -0.627 159 HE1 TYR 23 HE1 TYR 23 -8.496 5.601 -1.752 160 HE2 TYR 23 HE2 TYR 23 -6.229 2.195 -2.958 161 HH TYR 23 HH TYR 23 -7.335 5.346 -3.812 162 H GLN 24 HN GLN 24 -7.701 -0.970 2.197 163 HA GLN 24 HA GLN 24 -7.733 -0.848 5.110 164 1HB GLN 24 HB2 GLN 24 -7.955 -2.990 3.070 165 2HB GLN 24 HB1 GLN 24 -7.183 -3.435 4.585 166 1HG GLN 24 HG1 GLN 24 -9.402 -2.090 5.440 167 2HG GLN 24 HG2 GLN 24 -9.986 -2.902 3.989 168 1HE2 GLN 24 HE2 GLN 24 -10.036 -5.141 3.919 169 2HE2 GLN 24 HE2 GLN 24 -9.890 -6.114 5.339 170 H VAL 25 HN VAL 25 -5.718 0.607 4.571 171 HA VAL 25 HA VAL 25 -3.272 -0.895 4.198 172 HB VAL 25 HB VAL 25 -3.641 2.009 4.843 173 1HG1 VAL 25 HG2 VAL 25 -1.327 0.384 4.875 174 2HG1 VAL 25 HG2 VAL 25 -1.440 2.131 5.086 175 3HG1 VAL 25 HG2 VAL 25 -1.216 1.451 3.474 176 1HG2 VAL 25 HG1 VAL 25 -3.198 0.626 2.205 177 2HG2 VAL 25 HG1 VAL 25 -3.154 2.372 2.450 178 3HG2 VAL 25 HG1 VAL 25 -4.653 1.482 2.715 179 H THR 26 HN THR 26 -1.891 -1.543 5.756 180 HA THR 26 HA THR 26 -2.702 -1.077 8.532 181 HB THR 26 HB THR 26 -0.568 -3.024 7.747 182 HG1 THR 26 HG1 THR 26 -2.231 -3.495 6.318 183 1HG2 THR 26 HG2 THR 26 -2.161 -4.301 9.491 184 2HG2 THR 26 HG2 THR 26 -2.386 -2.632 10.014 185 3HG2 THR 26 HG2 THR 26 -0.766 -3.326 9.954 186 H LYS 27 HN LYS 27 0.385 -1.426 6.756 187 HA LYS 27 HA LYS 27 1.522 0.586 8.584 188 1HB LYS 27 HB1 LYS 27 2.397 -1.943 8.289 189 2HB LYS 27 HB2 LYS 27 3.339 -1.156 7.033 190 1HG LYS 27 HG1 LYS 27 4.777 -0.903 8.745 191 2HG LYS 27 HG2 LYS 27 3.822 0.560 8.990 192 1HD LYS 27 HD1 LYS 27 2.614 -0.390 10.762 193 2HD LYS 27 HD2 LYS 27 3.111 -2.029 10.335 194 1HE LYS 27 HE1 LYS 27 5.197 -1.786 11.270 195 2HE LYS 27 HE2 LYS 27 5.196 -0.034 11.078 196 1HZ LYS 27 HZ1 LYS 27 4.969 -0.702 13.398 197 2HZ LYS 27 HZ2 LYS 27 3.546 -1.541 13.035 198 3HZ LYS 27 HZ3 LYS 27 3.601 0.142 12.869 199 H THR 28 HN THR 28 2.610 2.317 7.780 200 HA THR 28 HA THR 28 2.846 2.545 4.857 201 HB THR 28 HB THR 28 1.788 4.640 6.762 202 HG1 THR 28 HG1 THR 28 0.535 2.774 5.500 203 1HG2 THR 28 HG2 THR 28 3.137 5.778 5.148 204 2HG2 THR 28 HG2 THR 28 1.435 6.017 4.744 205 3HG2 THR 28 HG2 THR 28 2.405 4.860 3.831 206 H LEU 29 HN LEU 29 4.728 3.365 4.132 207 HA LEU 29 HA LEU 29 6.623 4.354 6.155 208 1HB LEU 29 HB1 LEU 29 7.046 2.163 4.803 209 2HB LEU 29 HB2 LEU 29 7.473 3.257 3.502 210 HG LEU 29 HG LEU 29 8.826 4.021 5.927 211 1HD1 LEU 29 HD1 LEU 29 9.155 1.167 5.026 212 2HD1 LEU 29 HD1 LEU 29 8.692 1.742 6.627 213 3HD1 LEU 29 HD1 LEU 29 10.325 2.028 6.026 214 1HD2 LEU 29 HD2 LEU 29 10.812 3.606 4.417 215 2HD2 LEU 29 HD2 LEU 29 9.625 4.782 3.853 216 3HD2 LEU 29 HD2 LEU 29 9.646 3.155 3.173 217 H ASP 30 HN ASP 30 7.355 6.358 5.968 218 HA ASP 30 HA ASP 30 6.968 7.758 3.405 219 1HB ASP 30 HB2 ASP 30 6.784 9.849 4.855 220 2HB ASP 30 HB1 ASP 30 5.423 8.733 4.920 221 H VAL 31 HN VAL 31 8.903 7.946 2.480 222 HA VAL 31 HA VAL 31 11.135 8.927 4.132 223 HB VAL 31 HB VAL 31 12.515 7.630 2.244 224 1HG1 VAL 31 HG2 VAL 31 11.942 7.279 4.970 225 2HG1 VAL 31 HG2 VAL 31 13.307 6.632 4.061 226 3HG1 VAL 31 HG2 VAL 31 11.832 5.681 4.232 227 1HG2 VAL 31 HG1 VAL 31 9.831 6.419 2.232 228 2HG2 VAL 31 HG1 VAL 31 11.180 5.287 2.337 229 3HG2 VAL 31 HG1 VAL 31 11.085 6.423 0.991 230 H ARG 32 HN ARG 32 10.084 10.958 3.233 231 HA ARG 32 HA ARG 32 10.139 11.685 0.559 232 1HB ARG 32 HB2 ARG 32 10.219 13.161 3.135 233 2HB ARG 32 HB1 ARG 32 10.661 14.055 1.687 234 1HG ARG 32 HG1 ARG 32 8.419 12.976 0.782 235 2HG ARG 32 HG2 ARG 32 8.041 12.940 2.507 236 1HD ARG 32 HD2 ARG 32 8.816 15.355 0.877 237 2HD ARG 32 HD1 ARG 32 7.219 14.994 1.532 238 HE ARG 32 HE ARG 32 8.761 15.038 3.739 239 1HH1 ARG 32 HH2 ARG 32 8.382 17.263 1.082 240 2HH1 ARG 32 HH2 ARG 32 8.741 18.663 2.036 241 1HH2 ARG 32 HH1 ARG 32 9.236 16.877 5.001 242 2HH2 ARG 32 HH1 ARG 32 9.226 18.444 4.263 243 H GLY 33 HN GLY 33 12.386 13.400 2.610 244 1HA GLY 33 HA2 GLY 33 14.368 13.432 0.533 245 2HA GLY 33 HA1 GLY 33 14.524 14.143 2.133 246 H GLU 34 HN GLU 34 16.674 13.360 2.284 247 HA GLU 34 HA GLU 34 16.877 10.444 2.620 248 1HB GLU 34 HB2 GLU 34 19.050 10.495 1.859 249 2HB GLU 34 HB1 GLU 34 18.348 11.799 0.913 250 1HG GLU 34 HG1 GLU 34 19.547 12.491 3.526 251 2HG GLU 34 HG2 GLU 34 20.639 12.056 2.212 252 H VAL 35 HN VAL 35 17.847 9.605 4.450 253 HA VAL 35 HA VAL 35 18.537 11.468 6.598 254 HB VAL 35 HB VAL 35 17.225 9.235 7.758 255 1HG1 VAL 35 HG2 VAL 35 15.739 11.605 8.124 256 2HG1 VAL 35 HG2 VAL 35 17.443 12.056 8.056 257 3HG1 VAL 35 HG2 VAL 35 16.893 10.859 9.229 258 1HG2 VAL 35 HG1 VAL 35 15.804 10.546 5.500 259 2HG2 VAL 35 HG1 VAL 35 14.885 10.110 6.941 260 3HG2 VAL 35 HG1 VAL 35 15.753 8.867 6.039 261 H CYS 36 HN CYS 36 18.801 9.418 8.571 262 HA CYS 36 HA CYS 36 21.434 8.565 8.110 263 1HB CYS 36 HB1 CYS 36 19.646 7.110 10.027 264 2HB CYS 36 HB2 CYS 36 21.330 7.586 10.217 265 HG CYS 36 HG CYS 36 19.058 9.111 11.284 266 HA PRO 37 HA PRO 37 20.996 4.782 5.874 267 1HB PRO 37 HB1 PRO 37 22.937 3.372 7.529 268 2HB PRO 37 HB2 PRO 37 23.108 3.965 5.876 269 1HG PRO 37 HG2 PRO 37 24.442 5.049 7.974 270 2HG PRO 37 HG1 PRO 37 23.957 5.987 6.550 271 1HD PRO 37 HD1 PRO 37 22.665 5.834 9.249 272 2HD PRO 37 HD2 PRO 37 22.935 7.248 8.207 273 H VAL 38 HN VAL 38 20.232 4.892 9.163 274 HA VAL 38 HA VAL 38 19.731 2.163 9.688 275 HB VAL 38 HB VAL 38 18.341 4.501 10.989 276 1HG1 VAL 38 HG2 VAL 38 18.686 1.611 11.667 277 2HG1 VAL 38 HG2 VAL 38 17.236 2.614 11.735 278 3HG1 VAL 38 HG2 VAL 38 18.499 2.804 12.953 279 1HG2 VAL 38 HG1 VAL 38 21.122 3.620 11.102 280 2HG2 VAL 38 HG1 VAL 38 20.352 3.743 12.683 281 3HG2 VAL 38 HG1 VAL 38 20.392 5.142 11.612 282 HA PRO 39 HA PRO 39 15.020 3.239 8.699 283 1HB PRO 39 HB2 PRO 39 15.537 5.405 6.719 284 2HB PRO 39 HB1 PRO 39 14.204 5.221 7.864 285 1HG PRO 39 HG1 PRO 39 16.145 6.973 8.332 286 2HG PRO 39 HG2 PRO 39 15.464 6.006 9.653 287 1HD PRO 39 HD2 PRO 39 18.058 5.679 8.206 288 2HD PRO 39 HD1 PRO 39 17.689 5.446 9.926 289 H ASP 40 HN ASP 40 17.636 3.600 6.369 290 HA ASP 40 HA ASP 40 16.319 2.558 4.115 291 1HB ASP 40 HB1 ASP 40 18.879 3.524 4.704 292 2HB ASP 40 HB2 ASP 40 19.134 1.863 4.174 293 H VAL 41 HN VAL 41 18.424 0.964 6.503 294 HA VAL 41 HA VAL 41 18.096 -1.635 5.396 295 HB VAL 41 HB VAL 41 18.884 -1.014 8.237 296 1HG1 VAL 41 HG2 VAL 41 18.665 -3.412 6.694 297 2HG1 VAL 41 HG2 VAL 41 19.124 -3.216 8.386 298 3HG1 VAL 41 HG2 VAL 41 20.354 -3.142 7.123 299 1HG2 VAL 41 HG1 VAL 41 21.123 -0.711 7.560 300 2HG2 VAL 41 HG1 VAL 41 20.161 0.301 6.482 301 3HG2 VAL 41 HG1 VAL 41 20.779 -1.250 5.915 302 H GLU 42 HN GLU 42 16.240 0.308 7.562 303 HA GLU 42 HA GLU 42 14.828 -1.742 8.903 304 1HB GLU 42 HB1 GLU 42 14.884 0.563 9.727 305 2HB GLU 42 HB2 GLU 42 14.006 1.107 8.304 306 1HG GLU 42 HG2 GLU 42 12.030 0.022 8.981 307 2HG GLU 42 HG1 GLU 42 12.876 -0.915 10.212 308 H THR 43 HN THR 43 13.889 0.304 6.134 309 HA THR 43 HA THR 43 11.442 -0.947 5.627 310 HB THR 43 HB THR 43 12.343 1.249 4.670 311 HG1 THR 43 HG1 THR 43 11.211 0.720 2.574 312 1HG2 THR 43 HG2 THR 43 13.515 -0.631 2.640 313 2HG2 THR 43 HG2 THR 43 14.389 0.518 3.655 314 3HG2 THR 43 HG2 THR 43 13.288 1.103 2.407 315 H LYS 44 HN LYS 44 14.704 -1.769 4.621 316 HA LYS 44 HA LYS 44 14.084 -3.660 2.646 317 1HB LYS 44 HB1 LYS 44 16.420 -2.921 4.242 318 2HB LYS 44 HB2 LYS 44 16.373 -4.636 3.859 319 1HG LYS 44 HG2 LYS 44 16.009 -2.535 1.750 320 2HG LYS 44 HG1 LYS 44 17.605 -3.101 2.248 321 1HD LYS 44 HD1 LYS 44 15.817 -5.313 1.741 322 2HD LYS 44 HD2 LYS 44 15.939 -4.252 0.337 323 1HE LYS 44 HE2 LYS 44 18.547 -4.470 1.194 324 2HE LYS 44 HE1 LYS 44 17.895 -6.084 1.472 325 1HZ LYS 44 HZ1 LYS 44 17.102 -6.059 -0.855 326 2HZ LYS 44 HZ2 LYS 44 18.787 -5.980 -0.725 327 3HZ LYS 44 HZ3 LYS 44 17.901 -4.586 -1.090 328 H ARG 45 HN ARG 45 14.243 -3.888 6.146 329 HA ARG 45 HA ARG 45 14.003 -6.700 6.339 330 1HB ARG 45 HB1 ARG 45 14.730 -5.132 8.163 331 2HB ARG 45 HB2 ARG 45 13.048 -4.662 8.344 332 1HG ARG 45 HG2 ARG 45 13.546 -7.554 8.440 333 2HG ARG 45 HG1 ARG 45 14.256 -6.621 9.760 334 1HD ARG 45 HD2 ARG 45 11.366 -6.814 8.956 335 2HD ARG 45 HD1 ARG 45 12.104 -7.258 10.494 336 HE ARG 45 HE ARG 45 12.473 -4.499 9.961 337 1HH1 ARG 45 HH1 ARG 45 10.070 -6.810 10.973 338 2HH1 ARG 45 HH1 ARG 45 9.149 -5.651 11.872 339 1HH2 ARG 45 HH2 ARG 45 11.267 -2.967 11.142 340 2HH2 ARG 45 HH2 ARG 45 9.829 -3.467 11.967 341 H ALA 46 HN ALA 46 11.722 -4.092 5.929 342 HA ALA 46 HA ALA 46 9.350 -5.384 6.640 343 1HB ALA 46 HB1 ALA 46 8.700 -3.720 4.494 344 2HB ALA 46 HB2 ALA 46 10.094 -2.967 5.270 345 3HB ALA 46 HB3 ALA 46 8.646 -3.324 6.213 346 H LEU 47 HN LEU 47 10.832 -5.084 3.400 347 HA LEU 47 HA LEU 47 8.974 -6.649 2.033 348 1HB LEU 47 HB2 LEU 47 11.918 -6.300 1.464 349 2HB LEU 47 HB1 LEU 47 10.750 -6.964 0.340 350 HG LEU 47 HG LEU 47 10.805 -4.838 -0.452 351 1HD1 LEU 47 HD2 LEU 47 8.910 -4.480 1.863 352 2HD1 LEU 47 HD2 LEU 47 8.511 -5.164 0.287 353 3HD1 LEU 47 HD2 LEU 47 8.981 -3.470 0.420 354 1HD2 LEU 47 HD1 LEU 47 11.980 -3.219 0.510 355 2HD2 LEU 47 HD1 LEU 47 12.294 -4.355 1.822 356 3HD2 LEU 47 HD1 LEU 47 10.951 -3.218 1.943 357 H GLN 48 HN GLN 48 11.810 -7.573 3.887 358 HA GLN 48 HA GLN 48 11.676 -10.337 3.081 359 1HB GLN 48 HB1 GLN 48 13.572 -8.655 4.359 360 2HB GLN 48 HB2 GLN 48 13.223 -9.978 5.463 361 1HG GLN 48 HG1 GLN 48 13.674 -11.556 3.577 362 2HG GLN 48 HG2 GLN 48 14.225 -10.171 2.636 363 1HE2 GLN 48 HE2 GLN 48 15.714 -8.722 4.228 364 2HE2 GLN 48 HE2 GLN 48 17.044 -9.616 4.876 365 H ASN 49 HN ASN 49 9.974 -8.446 5.261 366 HA ASN 49 HA ASN 49 9.054 -10.848 6.685 367 1HB ASN 49 HB1 ASN 49 10.622 -9.047 7.932 368 2HB ASN 49 HB2 ASN 49 9.053 -8.294 8.200 369 1HD2 ASN 49 HD2 ASN 49 11.064 -9.751 9.934 370 2HD2 ASN 49 HD2 ASN 49 10.109 -10.900 10.801 371 H MET 50 HN MET 50 7.466 -10.549 4.841 372 HA MET 50 HA MET 50 5.408 -8.565 5.544 373 1HB MET 50 HB2 MET 50 5.812 -10.043 2.935 374 2HB MET 50 HB1 MET 50 4.564 -8.849 3.257 375 1HG MET 50 HG2 MET 50 6.175 -7.117 3.490 376 2HG MET 50 HG1 MET 50 7.504 -8.270 3.379 377 1HE MET 50 HE1 MET 50 7.294 -10.065 1.572 378 2HE MET 50 HE2 MET 50 7.768 -9.433 -0.005 379 3HE MET 50 HE3 MET 50 6.109 -9.963 0.271 380 H LYS 51 HN LYS 51 3.247 -9.189 5.707 381 HA LYS 51 HA LYS 51 2.865 -11.981 6.433 382 1HB LYS 51 HB2 LYS 51 1.986 -9.607 7.520 383 2HB LYS 51 HB1 LYS 51 0.560 -10.212 6.694 384 1HG LYS 51 HG1 LYS 51 0.167 -11.477 8.470 385 2HG LYS 51 HG2 LYS 51 1.609 -12.409 8.058 386 1HD LYS 51 HD1 LYS 51 2.889 -10.557 9.325 387 2HD LYS 51 HD2 LYS 51 1.313 -10.157 10.011 388 1HE LYS 51 HE2 LYS 51 1.101 -12.520 10.751 389 2HE LYS 51 HE1 LYS 51 2.746 -12.803 10.183 390 1HZ LYS 51 HZ1 LYS 51 1.940 -11.808 12.654 391 2HZ LYS 51 HZ2 LYS 51 2.723 -10.541 11.852 392 3HZ LYS 51 HZ3 LYS 51 3.519 -12.016 12.084 393 HA PRO 52 HA PRO 52 0.769 -13.617 2.941 394 1HB PRO 52 HB1 PRO 52 -1.641 -13.683 4.728 395 2HB PRO 52 HB2 PRO 52 -1.046 -14.914 3.609 396 1HG PRO 52 HG2 PRO 52 -0.559 -15.085 6.231 397 2HG PRO 52 HG1 PRO 52 0.652 -15.581 5.034 398 1HD PRO 52 HD2 PRO 52 0.628 -13.234 6.822 399 2HD PRO 52 HD1 PRO 52 1.997 -14.031 6.023 400 H GLY 53 HN GLY 53 -1.909 -11.920 4.576 401 1HA GLY 53 HA1 GLY 53 -2.448 -10.546 2.031 402 2HA GLY 53 HA2 GLY 53 -3.633 -10.867 3.285 403 H GLU 54 HN GLU 54 -0.475 -9.219 3.119 404 HA GLU 54 HA GLU 54 -1.536 -7.154 4.885 405 1HB GLU 54 HB2 GLU 54 1.141 -8.118 4.167 406 2HB GLU 54 HB1 GLU 54 1.022 -6.370 4.336 407 1HG GLU 54 HG2 GLU 54 0.021 -6.693 6.568 408 2HG GLU 54 HG1 GLU 54 0.273 -8.430 6.396 409 H ILE 55 HN ILE 55 -1.278 -4.907 4.443 410 HA ILE 55 HA ILE 55 -1.044 -4.165 1.617 411 HB ILE 55 HB ILE 55 -3.205 -3.027 3.386 412 1HG1 ILE 55 HG1 ILE 55 -4.569 -4.426 1.509 413 2HG1 ILE 55 HG1 ILE 55 -3.168 -5.474 1.716 414 1HG2 ILE 55 HG2 ILE 55 -3.335 -1.501 1.782 415 2HG2 ILE 55 HG2 ILE 55 -3.821 -2.774 0.664 416 3HG2 ILE 55 HG2 ILE 55 -2.119 -2.342 0.821 417 1HD1 ILE 55 HD1 ILE 55 -4.317 -6.375 3.391 418 2HD1 ILE 55 HD1 ILE 55 -5.437 -5.015 3.474 419 3HD1 ILE 55 HD1 ILE 55 -3.881 -4.926 4.298 420 H LEU 56 HN LEU 56 0.588 -2.747 1.536 421 HA LEU 56 HA LEU 56 0.937 -0.885 3.789 422 1HB LEU 56 HB2 LEU 56 2.981 -2.096 1.937 423 2HB LEU 56 HB1 LEU 56 3.336 -0.823 3.087 424 HG LEU 56 HG LEU 56 3.960 -2.526 4.407 425 1HD1 LEU 56 HD2 LEU 56 2.196 -3.452 5.821 426 2HD1 LEU 56 HD2 LEU 56 0.986 -2.868 4.677 427 3HD1 LEU 56 HD2 LEU 56 1.990 -1.718 5.562 428 1HD2 LEU 56 HD1 LEU 56 3.192 -4.035 2.285 429 2HD2 LEU 56 HD1 LEU 56 2.130 -4.644 3.554 430 3HD2 LEU 56 HD1 LEU 56 3.879 -4.674 3.777 431 H GLU 57 HN GLU 57 1.722 1.220 3.342 432 HA GLU 57 HA GLU 57 1.134 2.161 0.611 433 1HB GLU 57 HB2 GLU 57 -0.450 2.987 2.328 434 2HB GLU 57 HB1 GLU 57 0.898 3.699 3.206 435 1HG GLU 57 HG2 GLU 57 1.326 5.245 1.442 436 2HG GLU 57 HG1 GLU 57 0.167 4.439 0.386 437 H VAL 58 HN VAL 58 2.541 3.656 -0.335 438 HA VAL 58 HA VAL 58 5.041 4.175 1.130 439 HB VAL 58 HB VAL 58 4.957 3.457 -1.799 440 1HG1 VAL 58 HG2 VAL 58 7.307 3.467 0.079 441 2HG1 VAL 58 HG2 VAL 58 6.844 4.870 -0.884 442 3HG1 VAL 58 HG2 VAL 58 7.318 3.369 -1.682 443 1HG2 VAL 58 HG1 VAL 58 6.276 1.444 -0.351 444 2HG2 VAL 58 HG1 VAL 58 4.755 1.320 -1.234 445 3HG2 VAL 58 HG1 VAL 58 4.748 1.733 0.481 446 H TRP 59 HN TRP 59 5.758 6.206 1.041 447 HA TRP 59 HA TRP 59 4.619 8.009 -0.998 448 1HB TRP 59 HB1 TRP 59 5.237 8.602 1.907 449 2HB TRP 59 HB2 TRP 59 4.817 9.829 0.717 450 HD1 TRP 59 HD1 TRP 59 2.516 7.584 -0.496 451 HE1 TRP 59 HE1 TRP 59 0.247 7.613 0.717 452 HE3 TRP 59 HE3 TRP 59 3.930 9.930 3.824 453 HZ2 TRP 59 HZ2 TRP 59 -0.805 8.511 3.176 454 HZ3 TRP 59 HZ3 TRP 59 2.230 10.335 5.556 455 HH2 TRP 59 HH2 TRP 59 -0.089 9.639 5.236 456 H ILE 60 HN ILE 60 6.224 8.388 -2.415 457 HA ILE 60 HA ILE 60 8.667 9.608 -1.485 458 HB ILE 60 HB ILE 60 9.884 7.814 -3.095 459 1HG1 ILE 60 HG1 ILE 60 9.116 5.545 -2.303 460 2HG1 ILE 60 HG1 ILE 60 7.676 6.328 -1.658 461 1HG2 ILE 60 HG2 ILE 60 10.107 6.616 -0.618 462 2HG2 ILE 60 HG2 ILE 60 9.672 8.284 -0.243 463 3HG2 ILE 60 HG2 ILE 60 11.092 7.944 -1.234 464 1HD1 ILE 60 HD1 ILE 60 6.737 6.567 -3.686 465 2HD1 ILE 60 HD1 ILE 60 7.803 5.221 -4.090 466 3HD1 ILE 60 HD1 ILE 60 8.278 6.873 -4.486 467 H ASP 61 HN ASP 61 10.231 9.566 -3.634 468 HA ASP 61 HA ASP 61 8.590 10.835 -5.708 469 1HB ASP 61 HB2 ASP 61 11.579 10.967 -5.236 470 2HB ASP 61 HB1 ASP 61 10.697 11.855 -6.476 471 H TYR 62 HN TYR 62 10.658 8.153 -5.046 472 HA TYR 62 HA TYR 62 10.422 7.272 -7.850 473 1HB TYR 62 HB1 TYR 62 12.642 6.659 -5.883 474 2HB TYR 62 HB2 TYR 62 12.510 5.986 -7.504 475 HD1 TYR 62 HD1 TYR 62 13.699 8.722 -5.526 476 HD2 TYR 62 HD2 TYR 62 12.609 7.587 -9.479 477 HE1 TYR 62 HE1 TYR 62 14.961 10.635 -6.417 478 HE2 TYR 62 HE2 TYR 62 13.869 9.498 -10.380 479 HH TYR 62 HH TYR 62 15.919 10.930 -9.500 480 HA PRO 63 HA PRO 63 7.679 4.149 -6.176 481 1HB PRO 63 HB2 PRO 63 8.793 2.710 -8.553 482 2HB PRO 63 HB1 PRO 63 7.116 2.856 -8.012 483 1HG PRO 63 HG2 PRO 63 8.024 4.325 -10.041 484 2HG PRO 63 HG1 PRO 63 6.894 5.006 -8.856 485 1HD PRO 63 HD1 PRO 63 9.806 5.496 -9.197 486 2HD PRO 63 HD2 PRO 63 8.540 6.576 -8.579 487 H MET 64 HN MET 64 8.592 3.348 -4.340 488 HA MET 64 HA MET 64 11.101 2.051 -4.207 489 1HB MET 64 HB2 MET 64 9.370 3.045 -2.361 490 2HB MET 64 HB1 MET 64 9.091 1.320 -2.171 491 1HG MET 64 HG2 MET 64 10.776 2.111 -0.619 492 2HG MET 64 HG1 MET 64 11.462 0.965 -1.769 493 1HE MET 64 HE1 MET 64 13.457 1.813 -0.517 494 2HE MET 64 HE2 MET 64 14.399 3.234 -0.972 495 3HE MET 64 HE3 MET 64 14.296 1.856 -2.068 496 H SER 65 HN SER 65 8.077 1.014 -5.334 497 HA SER 65 HA SER 65 8.013 -1.685 -4.670 498 1HB SER 65 HB1 SER 65 6.436 -1.946 -6.386 499 2HB SER 65 HB2 SER 65 6.290 -0.239 -5.968 500 HG SER 65 HG SER 65 6.442 -0.709 -8.263 501 H LYS 66 HN LYS 66 10.301 -0.024 -6.514 502 HA LYS 66 HA LYS 66 11.067 -1.853 -8.463 503 1HB LYS 66 HB2 LYS 66 13.393 -0.823 -8.101 504 2HB LYS 66 HB1 LYS 66 12.088 0.260 -8.568 505 1HG LYS 66 HG1 LYS 66 12.310 1.464 -6.713 506 2HG LYS 66 HG2 LYS 66 12.297 0.025 -5.692 507 1HD LYS 66 HD2 LYS 66 14.677 -0.337 -6.203 508 2HD LYS 66 HD1 LYS 66 14.680 1.137 -7.173 509 1HE LYS 66 HE2 LYS 66 14.644 2.497 -5.360 510 2HE LYS 66 HE1 LYS 66 13.678 1.376 -4.402 511 1HZ LYS 66 HZ1 LYS 66 16.378 0.512 -5.034 512 2HZ LYS 66 HZ2 LYS 66 15.497 0.353 -3.599 513 3HZ LYS 66 HZ3 LYS 66 16.256 1.819 -3.968 514 H GLU 67 HN GLU 67 11.985 -1.656 -5.053 515 HA GLU 67 HA GLU 67 13.620 -4.054 -5.259 516 1HB GLU 67 HB2 GLU 67 13.022 -2.083 -3.073 517 2HB GLU 67 HB1 GLU 67 13.736 -3.644 -2.686 518 1HG GLU 67 HG1 GLU 67 15.234 -2.607 -4.817 519 2HG GLU 67 HG2 GLU 67 14.982 -1.273 -3.692 520 H ARG 68 HN ARG 68 10.453 -3.057 -4.309 521 HA ARG 68 HA ARG 68 9.718 -5.200 -2.660 522 1HB ARG 68 HB1 ARG 68 8.251 -3.212 -4.329 523 2HB ARG 68 HB2 ARG 68 7.360 -4.608 -3.739 524 1HG ARG 68 HG2 ARG 68 6.967 -3.116 -2.061 525 2HG ARG 68 HG1 ARG 68 8.412 -3.919 -1.438 526 1HD ARG 68 HD2 ARG 68 9.661 -2.026 -2.733 527 2HD ARG 68 HD1 ARG 68 8.110 -1.194 -2.621 528 HE ARG 68 HE ARG 68 8.325 -1.527 -0.153 529 1HH1 ARG 68 HH1 ARG 68 11.138 -1.464 -2.211 530 2HH1 ARG 68 HH1 ARG 68 12.204 -0.931 -0.954 531 1HH2 ARG 68 HH2 ARG 68 9.723 -0.825 1.507 532 2HH2 ARG 68 HH2 ARG 68 11.400 -0.567 1.159 533 H ILE 69 HN ILE 69 9.559 -4.822 -6.186 534 HA ILE 69 HA ILE 69 8.110 -7.097 -6.809 535 HB ILE 69 HB ILE 69 10.352 -5.892 -8.426 536 1HG1 ILE 69 HG1 ILE 69 7.449 -5.465 -8.990 537 2HG1 ILE 69 HG1 ILE 69 8.189 -4.553 -7.679 538 1HG2 ILE 69 HG2 ILE 69 10.045 -7.537 -9.881 539 2HG2 ILE 69 HG2 ILE 69 8.358 -7.051 -10.057 540 3HG2 ILE 69 HG2 ILE 69 8.808 -8.250 -8.846 541 1HD1 ILE 69 HD1 ILE 69 9.456 -4.594 -10.379 542 2HD1 ILE 69 HD1 ILE 69 9.577 -3.384 -9.101 543 3HD1 ILE 69 HD1 ILE 69 8.091 -3.528 -10.041 544 HA PRO 70 HA PRO 70 12.421 -9.516 -7.288 545 1HB PRO 70 HB2 PRO 70 13.751 -8.053 -5.048 546 2HB PRO 70 HB1 PRO 70 14.463 -8.794 -6.486 547 1HG PRO 70 HG2 PRO 70 14.148 -6.158 -6.347 548 2HG PRO 70 HG1 PRO 70 13.840 -7.027 -7.862 549 1HD PRO 70 HD2 PRO 70 11.906 -5.875 -5.908 550 2HD PRO 70 HD1 PRO 70 11.784 -6.010 -7.672 551 H GLU 71 HN GLU 71 11.437 -8.181 -4.131 552 HA GLU 71 HA GLU 71 11.871 -10.587 -2.699 553 1HB GLU 71 HB1 GLU 71 10.747 -7.946 -2.159 554 2HB GLU 71 HB2 GLU 71 9.952 -9.227 -1.254 555 1HG GLU 71 HG2 GLU 71 12.916 -8.706 -1.292 556 2HG GLU 71 HG1 GLU 71 11.805 -8.205 -0.018 557 H THR 72 HN THR 72 8.811 -9.085 -3.791 558 HA THR 72 HA THR 72 7.121 -11.118 -2.942 559 HB THR 72 HB THR 72 5.909 -10.134 -5.216 560 HG1 THR 72 HG1 THR 72 6.420 -7.945 -5.251 561 1HG2 THR 72 HG2 THR 72 4.444 -9.231 -3.800 562 2HG2 THR 72 HG2 THR 72 5.691 -8.360 -2.907 563 3HG2 THR 72 HG2 THR 72 5.391 -10.064 -2.567 564 H VAL 73 HN VAL 73 8.597 -10.661 -6.153 565 HA VAL 73 HA VAL 73 7.455 -12.876 -7.370 566 HB VAL 73 HB VAL 73 8.722 -11.090 -8.563 567 1HG1 VAL 73 HG1 VAL 73 10.844 -12.031 -6.895 568 2HG1 VAL 73 HG1 VAL 73 10.809 -10.632 -7.967 569 3HG1 VAL 73 HG1 VAL 73 11.305 -12.206 -8.588 570 1HG2 VAL 73 HG2 VAL 73 9.021 -12.431 -10.352 571 2HG2 VAL 73 HG2 VAL 73 8.287 -13.643 -9.302 572 3HG2 VAL 73 HG2 VAL 73 10.041 -13.564 -9.467 573 H LYS 74 HN LYS 74 10.122 -12.693 -5.134 574 HA LYS 74 HA LYS 74 11.289 -15.214 -5.608 575 1HB LYS 74 HB2 LYS 74 11.097 -13.419 -3.212 576 2HB LYS 74 HB1 LYS 74 11.754 -15.040 -3.035 577 1HG LYS 74 HG2 LYS 74 12.909 -13.566 -5.270 578 2HG LYS 74 HG1 LYS 74 13.179 -12.802 -3.703 579 1HD LYS 74 HD1 LYS 74 14.747 -14.294 -3.207 580 2HD LYS 74 HD2 LYS 74 13.607 -15.618 -3.462 581 1HE LYS 74 HE1 LYS 74 14.097 -15.590 -5.852 582 2HE LYS 74 HE2 LYS 74 15.220 -14.251 -5.613 583 1HZ LYS 74 HZ1 LYS 74 16.111 -16.657 -5.734 584 2HZ LYS 74 HZ2 LYS 74 15.604 -16.759 -4.123 585 3HZ LYS 74 HZ3 LYS 74 16.748 -15.598 -4.578 586 H LYS 75 HN LYS 75 8.595 -14.145 -3.602 587 HA LYS 75 HA LYS 75 7.889 -16.894 -2.930 588 1HB LYS 75 HB1 LYS 75 6.726 -14.220 -2.156 589 2HB LYS 75 HB2 LYS 75 5.957 -15.743 -1.732 590 1HG LYS 75 HG2 LYS 75 7.162 -15.268 0.164 591 2HG LYS 75 HG1 LYS 75 8.265 -16.334 -0.710 592 1HD LYS 75 HD2 LYS 75 9.541 -14.487 0.097 593 2HD LYS 75 HD1 LYS 75 9.360 -14.289 -1.647 594 1HE LYS 75 HE2 LYS 75 8.706 -12.205 -1.145 595 2HE LYS 75 HE1 LYS 75 7.172 -12.958 -0.706 596 1HZ LYS 75 HZ1 LYS 75 9.136 -11.705 0.968 597 2HZ LYS 75 HZ2 LYS 75 8.689 -13.236 1.531 598 3HZ LYS 75 HZ3 LYS 75 7.510 -12.048 1.284 599 H LEU 76 HN LEU 76 5.745 -14.240 -3.897 600 HA LEU 76 HA LEU 76 4.421 -16.073 -5.763 601 1HB LEU 76 HB1 LEU 76 2.751 -13.961 -5.727 602 2HB LEU 76 HB2 LEU 76 2.611 -15.338 -4.657 603 HG LEU 76 HG LEU 76 2.336 -13.090 -3.578 604 1HD1 LEU 76 HD1 LEU 76 2.882 -14.084 -1.675 605 2HD1 LEU 76 HD1 LEU 76 4.598 -14.070 -2.080 606 3HD1 LEU 76 HD1 LEU 76 3.569 -15.392 -2.638 607 1HD2 LEU 76 HD2 LEU 76 5.074 -12.771 -4.612 608 2HD2 LEU 76 HD2 LEU 76 4.778 -12.194 -2.972 609 3HD2 LEU 76 HD2 LEU 76 3.817 -11.569 -4.313 610 H GLY 77 HN GLY 77 3.791 -12.741 -6.209 611 1HA GLY 77 HA1 GLY 77 5.744 -12.589 -8.408 612 2HA GLY 77 HA2 GLY 77 4.051 -12.219 -8.696 613 H HIS 78 HN HIS 78 3.113 -10.392 -7.525 614 HA HIS 78 HA HIS 78 5.008 -8.498 -6.390 615 1HB HIS 78 HB1 HIS 78 3.443 -6.908 -8.096 616 2HB HIS 78 HB2 HIS 78 5.166 -7.228 -8.225 617 HD2 HIS 78 HD2 HIS 78 5.740 -8.004 -10.705 618 HE1 HIS 78 HE1 HIS 78 2.171 -10.146 -11.474 619 HE2 HIS 78 HE2 HIS 78 4.413 -9.429 -12.420 620 H GLU 79 HN GLU 79 3.859 -6.537 -5.512 621 HA GLU 79 HA GLU 79 1.207 -7.294 -4.517 622 1HB GLU 79 HB1 GLU 79 2.201 -5.228 -2.920 623 2HB GLU 79 HB2 GLU 79 2.111 -6.931 -2.494 624 1HG GLU 79 HG1 GLU 79 4.401 -7.056 -3.749 625 2HG GLU 79 HG2 GLU 79 4.440 -5.325 -3.415 626 H VAL 80 HN VAL 80 0.803 -6.354 -6.823 627 HA VAL 80 HA VAL 80 0.769 -3.435 -6.819 628 HB VAL 80 HB VAL 80 -0.288 -4.755 -9.204 629 1HG1 VAL 80 HG1 VAL 80 0.870 -3.096 -10.311 630 2HG1 VAL 80 HG1 VAL 80 2.143 -3.023 -9.093 631 3HG1 VAL 80 HG1 VAL 80 0.557 -2.329 -8.754 632 1HG2 VAL 80 HG2 VAL 80 1.727 -5.763 -9.981 633 2HG2 VAL 80 HG2 VAL 80 1.385 -6.447 -8.393 634 3HG2 VAL 80 HG2 VAL 80 2.625 -5.205 -8.571 635 H LEU 81 HN LEU 81 -0.982 -2.329 -6.338 636 HA LEU 81 HA LEU 81 -3.608 -3.418 -6.969 637 1HB LEU 81 HB1 LEU 81 -4.460 -2.687 -4.731 638 2HB LEU 81 HB2 LEU 81 -3.401 -4.083 -4.701 639 HG LEU 81 HG LEU 81 -2.416 -1.296 -4.114 640 1HD1 LEU 81 HD2 LEU 81 -4.167 -2.877 -2.526 641 2HD1 LEU 81 HD2 LEU 81 -3.399 -1.338 -2.130 642 3HD1 LEU 81 HD2 LEU 81 -2.577 -2.857 -1.756 643 1HD2 LEU 81 HD1 LEU 81 -0.764 -2.816 -2.794 644 2HD2 LEU 81 HD1 LEU 81 -0.563 -2.582 -4.529 645 3HD2 LEU 81 HD1 LEU 81 -1.314 -4.057 -3.919 646 H GLU 82 HN GLU 82 -1.645 -0.647 -6.013 647 HA GLU 82 HA GLU 82 -3.397 1.031 -7.641 648 1HB GLU 82 HB2 GLU 82 -3.889 0.960 -4.970 649 2HB GLU 82 HB1 GLU 82 -2.737 2.284 -5.061 650 1HG GLU 82 HG1 GLU 82 -5.152 2.900 -5.191 651 2HG GLU 82 HG2 GLU 82 -4.136 3.520 -6.491 652 H ILE 83 HN ILE 83 -2.446 2.761 -8.560 653 HA ILE 83 HA ILE 83 0.235 3.573 -7.739 654 HB ILE 83 HB ILE 83 -0.393 2.786 -10.588 655 1HG1 ILE 83 HG1 ILE 83 1.773 1.298 -9.781 656 2HG1 ILE 83 HG1 ILE 83 0.779 1.323 -8.327 657 1HG2 ILE 83 HG2 ILE 83 1.722 4.385 -9.362 658 2HG2 ILE 83 HG2 ILE 83 1.197 4.291 -11.044 659 3HG2 ILE 83 HG2 ILE 83 2.315 3.089 -10.401 660 1HD1 ILE 83 HD1 ILE 83 0.513 -0.524 -10.202 661 2HD1 ILE 83 HD1 ILE 83 -0.570 0.691 -10.882 662 3HD1 ILE 83 HD1 ILE 83 -0.856 0.065 -9.258 663 H GLU 84 HN GLU 84 0.163 5.728 -7.542 664 HA GLU 84 HA GLU 84 -1.035 7.358 -9.615 665 1HB GLU 84 HB1 GLU 84 -2.439 8.613 -7.943 666 2HB GLU 84 HB2 GLU 84 -3.006 6.994 -8.330 667 1HG GLU 84 HG2 GLU 84 -1.991 6.157 -6.263 668 2HG GLU 84 HG1 GLU 84 -1.466 7.794 -5.871 669 H GLU 85 HN GLU 85 -1.052 9.762 -8.627 670 HA GLU 85 HA GLU 85 1.515 10.198 -7.263 671 1HB GLU 85 HB1 GLU 85 2.012 12.052 -8.816 672 2HB GLU 85 HB2 GLU 85 1.935 10.499 -9.637 673 1HG GLU 85 HG1 GLU 85 -0.470 11.102 -10.205 674 2HG GLU 85 HG2 GLU 85 -0.057 12.737 -9.690 675 H VAL 86 HN VAL 86 1.734 12.506 -6.505 676 HA VAL 86 HA VAL 86 -0.891 13.628 -5.774 677 HB VAL 86 HB VAL 86 1.102 14.220 -3.776 678 1HG1 VAL 86 HG1 VAL 86 -1.526 12.744 -3.660 679 2HG1 VAL 86 HG1 VAL 86 -1.299 14.483 -3.473 680 3HG1 VAL 86 HG1 VAL 86 -0.637 13.372 -2.273 681 1HG2 VAL 86 HG2 VAL 86 1.537 12.082 -2.860 682 2HG2 VAL 86 HG2 VAL 86 1.958 11.983 -4.569 683 3HG2 VAL 86 HG2 VAL 86 0.441 11.294 -3.994 684 H GLY 87 HN GLY 87 2.596 14.302 -6.009 685 1HA GLY 87 HA1 GLY 87 1.891 17.081 -6.728 686 2HA GLY 87 HA2 GLY 87 3.294 16.684 -5.746 687 HA PRO 88 HA PRO 88 4.726 17.273 -10.144 688 1HB PRO 88 HB2 PRO 88 7.149 18.065 -8.622 689 2HB PRO 88 HB1 PRO 88 6.370 18.861 -9.993 690 1HG PRO 88 HG2 PRO 88 6.154 19.862 -7.533 691 2HG PRO 88 HG1 PRO 88 4.782 19.897 -8.657 692 1HD PRO 88 HD2 PRO 88 5.290 18.074 -6.339 693 2HD PRO 88 HD1 PRO 88 3.767 18.809 -6.884 694 H SER 89 HN SER 89 7.375 16.550 -7.905 695 HA SER 89 HA SER 89 7.930 14.129 -9.448 696 1HB SER 89 HB2 SER 89 9.846 14.947 -7.358 697 2HB SER 89 HB1 SER 89 10.137 14.471 -9.030 698 HG SER 89 HG SER 89 10.487 16.782 -8.341 699 H GLU 90 HN GLU 90 6.273 14.932 -6.759 700 HA GLU 90 HA GLU 90 7.071 12.607 -5.175 701 1HB GLU 90 HB2 GLU 90 4.981 13.688 -3.805 702 2HB GLU 90 HB1 GLU 90 6.664 14.129 -3.558 703 1HG GLU 90 HG2 GLU 90 5.093 15.581 -5.624 704 2HG GLU 90 HG1 GLU 90 4.819 15.951 -3.922 705 H TRP 91 HN TRP 91 6.091 10.717 -5.471 706 HA TRP 91 HA TRP 91 3.348 10.735 -6.548 707 1HB TRP 91 HB2 TRP 91 5.444 8.612 -7.050 708 2HB TRP 91 HB1 TRP 91 3.841 8.707 -7.772 709 HD1 TRP 91 HD1 TRP 91 4.032 11.874 -8.526 710 HE1 TRP 91 HE1 TRP 91 5.479 12.541 -10.547 711 HE3 TRP 91 HE3 TRP 91 7.009 7.725 -8.802 712 HZ2 TRP 91 HZ2 TRP 91 7.601 11.455 -12.057 713 HZ3 TRP 91 HZ3 TRP 91 8.722 7.619 -10.565 714 HH2 TRP 91 HH2 TRP 91 9.012 9.446 -12.158 715 H LYS 92 HN LYS 92 2.175 8.654 -6.125 716 HA LYS 92 HA LYS 92 2.792 7.654 -3.424 717 1HB LYS 92 HB1 LYS 92 0.325 8.778 -4.558 718 2HB LYS 92 HB2 LYS 92 0.090 7.254 -3.714 719 1HG LYS 92 HG1 LYS 92 1.531 8.438 -1.860 720 2HG LYS 92 HG2 LYS 92 0.943 9.897 -2.659 721 1HD LYS 92 HD1 LYS 92 -1.250 8.118 -2.358 722 2HD LYS 92 HD2 LYS 92 -0.413 8.220 -0.807 723 1HE LYS 92 HE2 LYS 92 -0.895 10.754 -2.267 724 2HE LYS 92 HE1 LYS 92 -2.292 9.960 -1.542 725 1HZ LYS 92 HZ1 LYS 92 -0.353 9.893 0.395 726 2HZ LYS 92 HZ2 LYS 92 -1.692 10.925 0.347 727 3HZ LYS 92 HZ3 LYS 92 -0.208 11.435 -0.285 728 H ILE 93 HN ILE 93 2.931 5.501 -3.201 729 HA ILE 93 HA ILE 93 1.977 3.823 -5.429 730 HB ILE 93 HB ILE 93 4.284 2.865 -3.836 731 1HG1 ILE 93 HG1 ILE 93 4.764 5.298 -4.350 732 2HG1 ILE 93 HG1 ILE 93 5.927 4.147 -4.997 733 1HG2 ILE 93 HG2 ILE 93 3.291 1.500 -5.589 734 2HG2 ILE 93 HG2 ILE 93 4.953 1.932 -5.992 735 3HG2 ILE 93 HG2 ILE 93 3.611 2.766 -6.773 736 1HD1 ILE 93 HD1 ILE 93 5.458 4.673 -7.122 737 2HD1 ILE 93 HD1 ILE 93 4.845 6.164 -6.406 738 3HD1 ILE 93 HD1 ILE 93 3.732 4.857 -6.810 739 H TYR 94 HN TYR 94 0.893 1.989 -4.916 740 HA TYR 94 HA TYR 94 0.613 1.375 -2.050 741 1HB TYR 94 HB1 TYR 94 -1.453 1.203 -4.247 742 2HB TYR 94 HB2 TYR 94 -1.661 0.470 -2.664 743 HD1 TYR 94 HD1 TYR 94 -0.866 3.782 -4.202 744 HD2 TYR 94 HD2 TYR 94 -2.747 1.675 -1.021 745 HE1 TYR 94 HE1 TYR 94 -1.771 5.900 -3.343 746 HE2 TYR 94 HE2 TYR 94 -3.658 3.788 -0.153 747 HH TYR 94 HH TYR 94 -2.693 6.502 -0.534 748 H ILE 95 HN ILE 95 1.346 -0.515 -1.475 749 HA ILE 95 HA ILE 95 1.466 -2.695 -3.451 750 HB ILE 95 HB ILE 95 3.604 -1.464 -2.021 751 1HG1 ILE 95 HG1 ILE 95 4.984 -3.029 -3.330 752 2HG1 ILE 95 HG1 ILE 95 3.546 -3.960 -3.731 753 1HG2 ILE 95 HG2 ILE 95 3.082 -2.976 -0.169 754 2HG2 ILE 95 HG2 ILE 95 4.638 -3.359 -0.903 755 3HG2 ILE 95 HG2 ILE 95 3.229 -4.357 -1.257 756 1HD1 ILE 95 HD1 ILE 95 2.872 -1.439 -4.552 757 2HD1 ILE 95 HD1 ILE 95 3.479 -2.740 -5.578 758 3HD1 ILE 95 HD1 ILE 95 4.592 -1.534 -4.929 759 H LYS 96 HN LYS 96 0.889 -4.766 -2.713 760 HA LYS 96 HA LYS 96 0.051 -4.998 0.077 761 1HB LYS 96 HB2 LYS 96 -2.022 -4.325 -0.560 762 2HB LYS 96 HB1 LYS 96 -1.798 -4.835 -2.228 763 1HG LYS 96 HG1 LYS 96 -1.876 -7.134 -0.522 764 2HG LYS 96 HG2 LYS 96 -3.279 -6.106 -0.219 765 1HD LYS 96 HD1 LYS 96 -2.637 -6.447 -3.054 766 2HD LYS 96 HD2 LYS 96 -3.078 -7.945 -2.230 767 1HE LYS 96 HE2 LYS 96 -5.007 -6.373 -1.277 768 2HE LYS 96 HE1 LYS 96 -4.702 -5.530 -2.795 769 1HZ LYS 96 HZ1 LYS 96 -6.414 -7.165 -3.105 770 2HZ LYS 96 HZ2 LYS 96 -5.428 -8.392 -2.485 771 3HZ LYS 96 HZ3 LYS 96 -5.036 -7.654 -3.956 772 H VAL 97 HN VAL 97 0.932 -6.808 0.782 773 HA VAL 97 HA VAL 97 1.861 -8.904 -0.863 774 HB VAL 97 HB VAL 97 1.183 -9.377 2.014 775 1HG1 VAL 97 HG2 VAL 97 3.073 -10.782 1.998 776 2HG1 VAL 97 HG2 VAL 97 3.683 -10.077 0.501 777 3HG1 VAL 97 HG2 VAL 97 2.241 -11.092 0.474 778 1HG2 VAL 97 HG1 VAL 97 2.611 -7.108 1.152 779 2HG2 VAL 97 HG1 VAL 97 3.799 -8.245 1.792 780 3HG2 VAL 97 HG1 VAL 97 2.443 -7.728 2.795 781 H LYS 98 HN LYS 98 0.736 -10.439 -1.860 782 HA LYS 98 HA LYS 98 -2.056 -10.859 -1.211 783 1HB LYS 98 HB1 LYS 98 -0.237 -11.641 -3.440 784 2HB LYS 98 HB2 LYS 98 -1.671 -12.620 -3.165 785 1HG LYS 98 HG1 LYS 98 -3.114 -10.798 -3.575 786 2HG LYS 98 HG2 LYS 98 -1.786 -9.638 -3.499 787 1HD LYS 98 HD1 LYS 98 -0.910 -10.338 -5.564 788 2HD LYS 98 HD2 LYS 98 -1.861 -11.825 -5.557 789 1HE LYS 98 HE2 LYS 98 -2.721 -10.129 -7.138 790 2HE LYS 98 HE1 LYS 98 -3.895 -10.586 -5.905 791 1HZ LYS 98 HZ1 LYS 98 -3.466 -8.578 -4.721 792 2HZ LYS 98 HZ2 LYS 98 -3.763 -8.165 -6.334 793 3HZ LYS 98 HZ3 LYS 98 -2.179 -8.170 -5.741 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -10.670 -16.533 18.044 2 2H GLY 1 HT2 GLY 1 -10.757 -15.036 17.262 3 3H GLY 1 HT3 GLY 1 -9.635 -15.277 18.505 4 1HA GLY 1 HA1 GLY 1 -8.767 -17.174 16.980 5 2HA GLY 1 HA2 GLY 1 -9.578 -16.243 15.730 6 H SER 2 HN SER 2 -7.704 -15.286 18.603 7 HA SER 2 HA SER 2 -6.410 -13.162 17.244 8 1HB SER 2 HB1 SER 2 -5.406 -14.463 19.776 9 2HB SER 2 HB2 SER 2 -5.229 -12.783 19.269 10 HG SER 2 HG SER 2 -7.731 -13.997 19.814 11 H SER 3 HN SER 3 -5.251 -16.347 18.333 12 HA SER 3 HA SER 3 -3.164 -16.194 16.268 13 1HB SER 3 HB1 SER 3 -2.578 -17.567 18.865 14 2HB SER 3 HB2 SER 3 -1.463 -16.842 17.708 15 HG SER 3 HG SER 3 -1.490 -15.281 19.137 16 H HIS 4 HN HIS 4 -4.261 -18.564 18.697 17 HA HIS 4 HA HIS 4 -4.947 -20.401 16.515 18 1HB HIS 4 HB2 HIS 4 -2.641 -20.674 18.062 19 2HB HIS 4 HB1 HIS 4 -3.783 -21.806 18.782 20 HD2 HIS 4 HD2 HIS 4 -2.737 -24.109 17.797 21 HE1 HIS 4 HE1 HIS 4 -2.980 -23.024 13.712 22 HE2 HIS 4 HE2 HIS 4 -2.477 -24.903 15.339 23 H HIS 5 HN HIS 5 -6.630 -18.793 18.171 24 HA HIS 5 HA HIS 5 -7.751 -20.485 20.216 25 1HB HIS 5 HB2 HIS 5 -8.649 -17.850 19.036 26 2HB HIS 5 HB1 HIS 5 -9.491 -18.669 20.345 27 HD2 HIS 5 HD2 HIS 5 -6.078 -19.313 21.360 28 HE1 HIS 5 HE1 HIS 5 -6.793 -15.355 22.680 29 HE2 HIS 5 HE2 HIS 5 -5.272 -17.373 22.883 30 H HIS 6 HN HIS 6 -10.528 -19.755 19.659 31 HA HIS 6 HA HIS 6 -11.376 -22.047 18.339 32 1HB HIS 6 HB1 HIS 6 -12.594 -19.919 19.679 33 2HB HIS 6 HB2 HIS 6 -13.299 -19.892 18.066 34 HD2 HIS 6 HD2 HIS 6 -12.733 -22.668 20.827 35 HE1 HIS 6 HE1 HIS 6 -16.395 -23.314 18.805 36 HE2 HIS 6 HE2 HIS 6 -14.866 -24.135 20.654 37 H HIS 7 HN HIS 7 -11.961 -22.539 16.277 38 HA HIS 7 HA HIS 7 -10.715 -21.197 14.156 39 1HB HIS 7 HB2 HIS 7 -13.073 -23.079 13.936 40 2HB HIS 7 HB1 HIS 7 -11.864 -22.741 12.701 41 HD2 HIS 7 HD2 HIS 7 -9.611 -24.259 12.798 42 HE1 HIS 7 HE1 HIS 7 -10.569 -26.278 16.393 43 HE2 HIS 7 HE2 HIS 7 -8.961 -26.164 14.434 44 H HIS 8 HN HIS 8 -11.233 -19.352 13.207 45 HA HIS 8 HA HIS 8 -14.073 -18.632 12.967 46 1HB HIS 8 HB2 HIS 8 -12.313 -17.331 14.650 47 2HB HIS 8 HB1 HIS 8 -12.279 -16.332 13.201 48 HD2 HIS 8 HD2 HIS 8 -14.802 -17.478 15.957 49 HE1 HIS 8 HE1 HIS 8 -16.456 -14.247 13.778 50 HE2 HIS 8 HE2 HIS 8 -16.756 -15.781 15.775 51 H HIS 9 HN HIS 9 -14.664 -18.236 10.948 52 HA HIS 9 HA HIS 9 -12.676 -17.225 9.043 53 1HB HIS 9 HB2 HIS 9 -13.845 -19.849 9.031 54 2HB HIS 9 HB1 HIS 9 -14.389 -18.963 7.609 55 HD2 HIS 9 HD2 HIS 9 -12.764 -19.466 5.564 56 HE1 HIS 9 HE1 HIS 9 -9.164 -19.808 7.764 57 HE2 HIS 9 HE2 HIS 9 -10.206 -19.890 5.453 58 H SER 10 HN SER 10 -14.890 -15.972 10.502 59 HA SER 10 HA SER 10 -17.063 -15.570 8.695 60 1HB SER 10 HB1 SER 10 -16.167 -14.004 11.126 61 2HB SER 10 HB2 SER 10 -17.665 -13.698 10.247 62 HG SER 10 HG SER 10 -18.066 -16.044 10.679 63 H SER 11 HN SER 11 -14.006 -13.978 9.291 64 HA SER 11 HA SER 11 -14.651 -11.716 7.604 65 1HB SER 11 HB1 SER 11 -11.864 -11.805 8.088 66 2HB SER 11 HB2 SER 11 -13.062 -10.777 8.876 67 HG SER 11 HG SER 11 -11.922 -13.178 9.740 68 H GLY 12 HN GLY 12 -14.681 -14.440 6.431 69 1HA GLY 12 HA1 GLY 12 -12.407 -14.925 4.863 70 2HA GLY 12 HA2 GLY 12 -14.033 -15.476 4.491 71 H LEU 13 HN LEU 13 -11.706 -14.226 2.922 72 HA LEU 13 HA LEU 13 -13.029 -11.871 1.817 73 1HB LEU 13 HB1 LEU 13 -10.319 -12.772 2.054 74 2HB LEU 13 HB2 LEU 13 -10.682 -12.503 0.361 75 HG LEU 13 HG LEU 13 -9.699 -10.516 1.385 76 1HD1 LEU 13 HD2 LEU 13 -11.381 -8.888 0.703 77 2HD1 LEU 13 HD2 LEU 13 -12.615 -10.147 0.717 78 3HD1 LEU 13 HD2 LEU 13 -11.289 -10.226 -0.443 79 1HD2 LEU 13 HD1 LEU 13 -10.433 -10.853 3.675 80 2HD2 LEU 13 HD1 LEU 13 -12.106 -10.563 3.198 81 3HD2 LEU 13 HD1 LEU 13 -10.921 -9.261 3.096 82 H VAL 14 HN VAL 14 -14.812 -13.176 0.983 83 HA VAL 14 HA VAL 14 -14.333 -15.075 -1.110 84 HB VAL 14 HB VAL 14 -16.812 -14.923 -1.464 85 1HG1 VAL 14 HG1 VAL 14 -15.604 -16.460 0.176 86 2HG1 VAL 14 HG1 VAL 14 -17.333 -16.211 0.426 87 3HG1 VAL 14 HG1 VAL 14 -16.164 -15.358 1.436 88 1HG2 VAL 14 HG2 VAL 14 -17.350 -13.551 1.023 89 2HG2 VAL 14 HG2 VAL 14 -18.047 -13.297 -0.576 90 3HG2 VAL 14 HG2 VAL 14 -16.537 -12.499 -0.135 91 HA PRO 15 HA PRO 15 -14.022 -12.115 -4.417 92 1HB PRO 15 HB2 PRO 15 -14.201 -13.806 -6.507 93 2HB PRO 15 HB1 PRO 15 -12.767 -13.735 -5.478 94 1HG PRO 15 HG2 PRO 15 -15.031 -15.693 -5.447 95 2HG PRO 15 HG1 PRO 15 -13.291 -15.990 -5.278 96 1HD PRO 15 HD2 PRO 15 -15.021 -15.883 -3.163 97 2HD PRO 15 HD1 PRO 15 -13.297 -15.477 -3.043 98 H ARG 16 HN ARG 16 -16.166 -11.258 -3.716 99 HA ARG 16 HA ARG 16 -18.495 -12.261 -5.109 100 1HB ARG 16 HB2 ARG 16 -18.535 -11.343 -2.757 101 2HB ARG 16 HB1 ARG 16 -18.259 -9.749 -3.447 102 1HG ARG 16 HG1 ARG 16 -20.353 -10.088 -4.797 103 2HG ARG 16 HG2 ARG 16 -20.651 -11.529 -3.823 104 1HD ARG 16 HD1 ARG 16 -20.120 -9.640 -1.918 105 2HD ARG 16 HD2 ARG 16 -20.966 -8.700 -3.146 106 HE ARG 16 HE ARG 16 -22.899 -9.838 -2.651 107 1HH1 ARG 16 HH2 ARG 16 -20.188 -11.442 -1.160 108 2HH1 ARG 16 HH2 ARG 16 -21.174 -12.506 -0.213 109 1HH2 ARG 16 HH1 ARG 16 -24.204 -11.235 -1.408 110 2HH2 ARG 16 HH1 ARG 16 -23.456 -12.389 -0.354 111 H GLY 17 HN GLY 17 -17.626 -8.849 -4.783 112 1HA GLY 17 HA1 GLY 17 -18.515 -8.343 -7.481 113 2HA GLY 17 HA2 GLY 17 -17.941 -7.148 -6.327 114 H SER 18 HN SER 18 -17.325 -8.232 -9.256 115 HA SER 18 HA SER 18 -14.665 -8.971 -9.408 116 1HB SER 18 HB1 SER 18 -16.666 -8.283 -11.226 117 2HB SER 18 HB2 SER 18 -15.369 -7.133 -11.550 118 HG SER 18 HG SER 18 -15.494 -9.586 -12.382 119 H HIS 19 HN HIS 19 -15.959 -5.647 -9.642 120 HA HIS 19 HA HIS 19 -13.332 -4.489 -9.550 121 1HB HIS 19 HB2 HIS 19 -15.772 -3.639 -10.470 122 2HB HIS 19 HB1 HIS 19 -15.607 -2.721 -8.977 123 HD2 HIS 19 HD2 HIS 19 -13.906 -3.045 -12.470 124 HE1 HIS 19 HE1 HIS 19 -12.427 0.399 -10.501 125 HE2 HIS 19 HE2 HIS 19 -12.449 -0.907 -12.675 126 H MET 20 HN MET 20 -14.094 -6.157 -7.247 127 HA MET 20 HA MET 20 -14.844 -4.778 -4.985 128 1HB MET 20 HB2 MET 20 -13.604 -7.275 -5.582 129 2HB MET 20 HB1 MET 20 -12.720 -6.532 -4.256 130 1HG MET 20 HG1 MET 20 -15.700 -6.667 -4.175 131 2HG MET 20 HG2 MET 20 -14.733 -8.082 -3.760 132 1HE MET 20 HE1 MET 20 -16.727 -6.413 -1.322 133 2HE MET 20 HE2 MET 20 -15.610 -7.266 -0.256 134 3HE MET 20 HE3 MET 20 -16.144 -8.020 -1.758 135 H ALA 21 HN ALA 21 -14.041 -3.082 -3.954 136 HA ALA 21 HA ALA 21 -11.420 -2.065 -4.621 137 1HB ALA 21 HB1 ALA 21 -13.010 -0.375 -4.433 138 2HB ALA 21 HB2 ALA 21 -12.111 -0.269 -2.920 139 3HB ALA 21 HB3 ALA 21 -13.692 -1.048 -2.954 140 H LYS 22 HN LYS 22 -9.775 -3.181 -3.730 141 HA LYS 22 HA LYS 22 -9.945 -4.101 -0.976 142 1HB LYS 22 HB2 LYS 22 -7.467 -4.372 -2.625 143 2HB LYS 22 HB1 LYS 22 -8.140 -5.476 -1.435 144 1HG LYS 22 HG2 LYS 22 -9.600 -6.424 -2.932 145 2HG LYS 22 HG1 LYS 22 -9.625 -4.999 -3.973 146 1HD LYS 22 HD1 LYS 22 -7.041 -6.425 -3.671 147 2HD LYS 22 HD2 LYS 22 -8.301 -7.218 -4.619 148 1HE LYS 22 HE1 LYS 22 -7.373 -6.009 -6.291 149 2HE LYS 22 HE2 LYS 22 -8.461 -4.768 -5.670 150 1HZ LYS 22 HZ1 LYS 22 -5.592 -4.854 -5.657 151 2HZ LYS 22 HZ2 LYS 22 -6.244 -4.468 -4.145 152 3HZ LYS 22 HZ3 LYS 22 -6.634 -3.531 -5.498 153 H TYR 23 HN TYR 23 -10.076 -1.442 -0.885 154 HA TYR 23 HA TYR 23 -7.414 -0.330 -0.531 155 1HB TYR 23 HB2 TYR 23 -10.028 0.724 -1.055 156 2HB TYR 23 HB1 TYR 23 -9.388 1.479 0.401 157 HD1 TYR 23 HD1 TYR 23 -7.885 3.249 0.230 158 HD2 TYR 23 HD2 TYR 23 -8.495 0.718 -3.134 159 HE1 TYR 23 HE1 TYR 23 -6.513 4.758 -1.145 160 HE2 TYR 23 HE2 TYR 23 -7.126 2.219 -4.519 161 HH TYR 23 HH TYR 23 -6.276 5.326 -3.577 162 H GLN 24 HN GLN 24 -8.216 -2.491 1.208 163 HA GLN 24 HA GLN 24 -8.721 -1.252 3.789 164 1HB GLN 24 HB2 GLN 24 -9.090 -3.851 2.657 165 2HB GLN 24 HB1 GLN 24 -8.060 -4.003 4.072 166 1HG GLN 24 HG1 GLN 24 -10.284 -2.257 4.609 167 2HG GLN 24 HG2 GLN 24 -10.836 -3.821 4.011 168 1HE2 GLN 24 HE2 GLN 24 -8.636 -2.360 6.364 169 2HE2 GLN 24 HE2 GLN 24 -8.836 -3.579 7.571 170 H VAL 25 HN VAL 25 -6.612 -0.029 3.380 171 HA VAL 25 HA VAL 25 -4.123 -1.327 3.548 172 HB VAL 25 HB VAL 25 -4.727 1.462 4.532 173 1HG1 VAL 25 HG2 VAL 25 -2.469 0.340 4.981 174 2HG1 VAL 25 HG2 VAL 25 -2.456 1.930 4.220 175 3HG1 VAL 25 HG2 VAL 25 -2.199 0.484 3.244 176 1HG2 VAL 25 HG1 VAL 25 -3.965 2.059 2.147 177 2HG2 VAL 25 HG1 VAL 25 -5.617 1.489 2.381 178 3HG2 VAL 25 HG1 VAL 25 -4.386 0.393 1.754 179 H THR 26 HN THR 26 -2.697 -1.614 5.275 180 HA THR 26 HA THR 26 -3.948 -1.592 7.939 181 HB THR 26 HB THR 26 -1.708 -3.434 7.641 182 HG1 THR 26 HG1 THR 26 -2.524 -3.660 5.544 183 1HG2 THR 26 HG2 THR 26 -3.590 -3.321 9.422 184 2HG2 THR 26 HG2 THR 26 -2.975 -4.883 8.879 185 3HG2 THR 26 HG2 THR 26 -4.500 -4.266 8.242 186 H LYS 27 HN LYS 27 -0.845 -1.377 6.203 187 HA LYS 27 HA LYS 27 0.143 0.304 8.414 188 1HB LYS 27 HB2 LYS 27 1.225 -2.124 7.400 189 2HB LYS 27 HB1 LYS 27 2.327 -0.826 6.963 190 1HG LYS 27 HG2 LYS 27 1.611 -0.369 9.635 191 2HG LYS 27 HG1 LYS 27 1.930 -2.099 9.496 192 1HD LYS 27 HD2 LYS 27 3.818 -0.081 8.334 193 2HD LYS 27 HD1 LYS 27 3.897 -0.523 10.041 194 1HE LYS 27 HE1 LYS 27 4.088 -2.442 7.722 195 2HE LYS 27 HE2 LYS 27 5.450 -1.841 8.669 196 1HZ LYS 27 HZ1 LYS 27 4.801 -4.006 9.448 197 2HZ LYS 27 HZ2 LYS 27 3.204 -3.501 9.677 198 3HZ LYS 27 HZ3 LYS 27 4.438 -2.862 10.640 199 H THR 28 HN THR 28 1.626 1.983 7.840 200 HA THR 28 HA THR 28 1.672 2.706 4.997 201 HB THR 28 HB THR 28 0.950 4.612 7.234 202 HG1 THR 28 HG1 THR 28 -1.096 4.538 6.421 203 1HG2 THR 28 HG2 THR 28 2.074 5.832 5.524 204 2HG2 THR 28 HG2 THR 28 0.344 6.148 5.389 205 3HG2 THR 28 HG2 THR 28 1.128 5.037 4.266 206 H LEU 29 HN LEU 29 3.748 2.868 4.436 207 HA LEU 29 HA LEU 29 5.685 3.778 6.447 208 1HB LEU 29 HB1 LEU 29 5.996 1.563 5.257 209 2HB LEU 29 HB2 LEU 29 6.282 2.482 3.791 210 HG LEU 29 HG LEU 29 7.936 3.247 6.114 211 1HD1 LEU 29 HD1 LEU 29 8.339 0.615 4.701 212 2HD1 LEU 29 HD1 LEU 29 7.897 0.829 6.395 213 3HD1 LEU 29 HD1 LEU 29 9.474 1.370 5.821 214 1HD2 LEU 29 HD2 LEU 29 8.519 4.362 4.187 215 2HD2 LEU 29 HD2 LEU 29 8.225 2.960 3.158 216 3HD2 LEU 29 HD2 LEU 29 9.661 3.018 4.180 217 H ASP 30 HN ASP 30 6.272 5.834 6.346 218 HA ASP 30 HA ASP 30 6.535 7.098 3.706 219 1HB ASP 30 HB2 ASP 30 5.685 9.232 4.823 220 2HB ASP 30 HB1 ASP 30 4.484 7.987 4.490 221 H VAL 31 HN VAL 31 8.573 7.675 3.438 222 HA VAL 31 HA VAL 31 10.061 8.726 5.756 223 HB VAL 31 HB VAL 31 12.024 7.831 4.047 224 1HG1 VAL 31 HG2 VAL 31 12.626 7.225 6.103 225 2HG1 VAL 31 HG2 VAL 31 11.670 5.763 5.859 226 3HG1 VAL 31 HG2 VAL 31 10.951 7.165 6.650 227 1HG2 VAL 31 HG1 VAL 31 10.806 6.505 2.612 228 2HG2 VAL 31 HG1 VAL 31 9.648 6.035 3.856 229 3HG2 VAL 31 HG1 VAL 31 11.269 5.342 3.853 230 H ARG 32 HN ARG 32 8.953 10.701 4.733 231 HA ARG 32 HA ARG 32 9.777 11.758 2.281 232 1HB ARG 32 HB2 ARG 32 8.037 12.534 4.236 233 2HB ARG 32 HB1 ARG 32 9.316 13.727 4.413 234 1HG ARG 32 HG2 ARG 32 9.049 13.895 1.795 235 2HG ARG 32 HG1 ARG 32 7.437 13.276 2.160 236 1HD ARG 32 HD1 ARG 32 8.725 15.807 3.148 237 2HD ARG 32 HD2 ARG 32 7.266 15.636 2.175 238 HE ARG 32 HE ARG 32 6.439 14.417 4.323 239 1HH1 ARG 32 HH2 ARG 32 8.451 17.259 4.158 240 2HH1 ARG 32 HH2 ARG 32 7.893 17.898 5.668 241 1HH2 ARG 32 HH1 ARG 32 5.700 15.252 6.311 242 2HH2 ARG 32 HH1 ARG 32 6.330 16.758 6.891 243 H GLY 33 HN GLY 33 10.653 13.651 5.065 244 1HA GLY 33 HA2 GLY 33 13.158 14.386 3.954 245 2HA GLY 33 HA1 GLY 33 12.607 14.750 5.583 246 H GLU 34 HN GLU 34 14.567 12.724 3.620 247 HA GLU 34 HA GLU 34 15.275 11.082 5.955 248 1HB GLU 34 HB2 GLU 34 15.956 9.370 4.507 249 2HB GLU 34 HB1 GLU 34 14.493 10.001 3.763 250 1HG GLU 34 HG1 GLU 34 17.151 11.063 2.924 251 2HG GLU 34 HG2 GLU 34 16.594 9.502 2.317 252 H VAL 35 HN VAL 35 17.537 10.544 6.258 253 HA VAL 35 HA VAL 35 19.413 12.489 5.141 254 HB VAL 35 HB VAL 35 20.249 11.998 7.776 255 1HG1 VAL 35 HG2 VAL 35 20.881 14.101 7.471 256 2HG1 VAL 35 HG2 VAL 35 19.198 14.628 7.447 257 3HG1 VAL 35 HG2 VAL 35 19.987 14.126 5.952 258 1HG2 VAL 35 HG1 VAL 35 18.240 13.306 8.820 259 2HG2 VAL 35 HG1 VAL 35 18.173 11.550 8.662 260 3HG2 VAL 35 HG1 VAL 35 17.343 12.573 7.489 261 H CYS 36 HN CYS 36 20.108 10.326 7.752 262 HA CYS 36 HA CYS 36 22.310 9.134 6.457 263 1HB CYS 36 HB1 CYS 36 20.884 7.797 8.736 264 2HB CYS 36 HB2 CYS 36 22.613 7.909 8.421 265 HG CYS 36 HG CYS 36 21.622 9.506 10.418 266 HA PRO 37 HA PRO 37 20.572 5.788 4.169 267 1HB PRO 37 HB1 PRO 37 22.463 3.845 5.289 268 2HB PRO 37 HB2 PRO 37 22.339 4.465 3.642 269 1HG PRO 37 HG1 PRO 37 24.374 5.137 5.271 270 2HG PRO 37 HG2 PRO 37 23.712 6.264 4.072 271 1HD PRO 37 HD1 PRO 37 23.228 6.137 7.027 272 2HD PRO 37 HD2 PRO 37 23.483 7.555 5.987 273 H VAL 38 HN VAL 38 19.862 6.054 7.223 274 HA VAL 38 HA VAL 38 19.323 3.526 8.253 275 HB VAL 38 HB VAL 38 17.684 6.023 8.693 276 1HG1 VAL 38 HG2 VAL 38 16.396 4.745 9.973 277 2HG1 VAL 38 HG2 VAL 38 17.794 4.419 10.997 278 3HG1 VAL 38 HG2 VAL 38 17.413 3.339 9.657 279 1HG2 VAL 38 HG1 VAL 38 19.168 6.007 10.840 280 2HG2 VAL 38 HG1 VAL 38 19.793 6.692 9.340 281 3HG2 VAL 38 HG1 VAL 38 20.272 5.069 9.835 282 HA PRO 39 HA PRO 39 14.830 3.964 6.254 283 1HB PRO 39 HB2 PRO 39 15.646 5.505 3.843 284 2HB PRO 39 HB1 PRO 39 14.145 5.581 4.774 285 1HG PRO 39 HG2 PRO 39 15.970 7.502 4.995 286 2HG PRO 39 HG1 PRO 39 15.083 6.926 6.420 287 1HD PRO 39 HD1 PRO 39 17.885 6.333 5.560 288 2HD PRO 39 HD2 PRO 39 17.237 6.597 7.192 289 H ASP 40 HN ASP 40 17.845 3.753 4.466 290 HA ASP 40 HA ASP 40 16.966 2.078 2.377 291 1HB ASP 40 HB1 ASP 40 19.367 3.277 3.097 292 2HB ASP 40 HB2 ASP 40 19.707 1.555 3.235 293 H VAL 41 HN VAL 41 18.634 1.273 5.425 294 HA VAL 41 HA VAL 41 18.254 -1.546 5.084 295 HB VAL 41 HB VAL 41 19.769 0.156 6.791 296 1HG1 VAL 41 HG1 VAL 41 19.502 -1.335 8.840 297 2HG1 VAL 41 HG1 VAL 41 17.953 -1.790 8.124 298 3HG1 VAL 41 HG1 VAL 41 18.269 -0.106 8.539 299 1HG2 VAL 41 HG2 VAL 41 19.745 -2.822 6.323 300 2HG2 VAL 41 HG2 VAL 41 21.007 -1.957 7.199 301 3HG2 VAL 41 HG2 VAL 41 20.732 -1.621 5.490 302 H GLU 42 HN GLU 42 16.419 1.055 6.354 303 HA GLU 42 HA GLU 42 14.816 -0.352 8.204 304 1HB GLU 42 HB1 GLU 42 14.956 2.111 8.125 305 2HB GLU 42 HB2 GLU 42 14.129 2.101 6.573 306 1HG GLU 42 HG2 GLU 42 12.098 1.550 7.500 307 2HG GLU 42 HG1 GLU 42 12.829 0.824 8.931 308 H THR 43 HN THR 43 14.130 0.631 4.841 309 HA THR 43 HA THR 43 11.701 -0.764 4.622 310 HB THR 43 HB THR 43 12.295 0.986 3.043 311 HG1 THR 43 HG1 THR 43 12.296 -1.311 1.446 312 1HG2 THR 43 HG2 THR 43 13.959 -0.173 1.177 313 2HG2 THR 43 HG2 THR 43 14.728 -0.533 2.723 314 3HG2 THR 43 HG2 THR 43 14.366 1.136 2.286 315 H LYS 44 HN LYS 44 15.031 -1.742 4.205 316 HA LYS 44 HA LYS 44 14.710 -4.135 2.821 317 1HB LYS 44 HB1 LYS 44 16.864 -2.911 3.641 318 2HB LYS 44 HB2 LYS 44 16.665 -3.889 5.088 319 1HG LYS 44 HG2 LYS 44 18.141 -5.108 3.766 320 2HG LYS 44 HG1 LYS 44 16.584 -5.895 3.512 321 1HD LYS 44 HD2 LYS 44 16.684 -5.499 1.327 322 2HD LYS 44 HD1 LYS 44 16.923 -3.773 1.612 323 1HE LYS 44 HE1 LYS 44 19.065 -5.895 1.569 324 2HE LYS 44 HE2 LYS 44 18.768 -4.682 0.324 325 1HZ LYS 44 HZ1 LYS 44 19.863 -4.310 3.038 326 2HZ LYS 44 HZ2 LYS 44 19.146 -3.017 2.214 327 3HZ LYS 44 HZ3 LYS 44 20.497 -3.794 1.556 328 H ARG 45 HN ARG 45 14.331 -3.413 6.250 329 HA ARG 45 HA ARG 45 13.965 -6.085 7.107 330 1HB ARG 45 HB1 ARG 45 14.586 -4.148 8.556 331 2HB ARG 45 HB2 ARG 45 12.932 -3.573 8.418 332 1HG ARG 45 HG2 ARG 45 13.217 -6.363 9.297 333 2HG ARG 45 HG1 ARG 45 13.846 -5.150 10.413 334 1HD ARG 45 HD2 ARG 45 11.125 -5.891 9.878 335 2HD ARG 45 HD1 ARG 45 11.769 -4.837 11.135 336 HE ARG 45 HE ARG 45 11.073 -3.911 8.423 337 1HH1 ARG 45 HH2 ARG 45 11.261 -3.442 11.871 338 2HH1 ARG 45 HH2 ARG 45 10.569 -1.855 11.822 339 1HH2 ARG 45 HH1 ARG 45 10.162 -1.822 8.350 340 2HH2 ARG 45 HH1 ARG 45 9.945 -0.934 9.821 341 H ALA 46 HN ALA 46 11.715 -3.516 6.167 342 HA ALA 46 HA ALA 46 9.323 -4.793 6.839 343 1HB ALA 46 HB1 ALA 46 8.612 -3.328 4.663 344 2HB ALA 46 HB2 ALA 46 10.117 -2.541 5.140 345 3HB ALA 46 HB3 ALA 46 8.791 -2.684 6.295 346 H LEU 47 HN LEU 47 11.308 -5.010 3.937 347 HA LEU 47 HA LEU 47 9.506 -6.495 2.358 348 1HB LEU 47 HB2 LEU 47 12.458 -6.051 2.317 349 2HB LEU 47 HB1 LEU 47 11.749 -7.272 1.282 350 HG LEU 47 HG LEU 47 10.647 -5.727 -0.041 351 1HD1 LEU 47 HD2 LEU 47 9.401 -4.419 1.423 352 2HD1 LEU 47 HD2 LEU 47 10.515 -3.263 0.693 353 3HD1 LEU 47 HD2 LEU 47 10.826 -3.885 2.314 354 1HD2 LEU 47 HD1 LEU 47 12.428 -3.701 -0.082 355 2HD2 LEU 47 HD1 LEU 47 12.708 -5.281 -0.814 356 3HD2 LEU 47 HD1 LEU 47 13.349 -4.927 0.791 357 H GLN 48 HN GLN 48 12.118 -7.496 4.534 358 HA GLN 48 HA GLN 48 11.636 -10.296 4.066 359 1HB GLN 48 HB1 GLN 48 13.651 -8.679 5.362 360 2HB GLN 48 HB2 GLN 48 13.169 -10.013 6.400 361 1HG GLN 48 HG2 GLN 48 14.254 -11.498 5.159 362 2HG GLN 48 HG1 GLN 48 13.579 -10.859 3.661 363 1HE2 GLN 48 HE2 GLN 48 14.748 -9.438 2.450 364 2HE2 GLN 48 HE2 GLN 48 16.392 -9.026 2.786 365 H ASN 49 HN ASN 49 10.009 -8.005 5.794 366 HA ASN 49 HA ASN 49 8.971 -10.024 7.671 367 1HB ASN 49 HB2 ASN 49 10.306 -7.687 8.373 368 2HB ASN 49 HB1 ASN 49 8.605 -7.277 8.571 369 1HD2 ASN 49 HD2 ASN 49 10.459 -10.253 9.105 370 2HD2 ASN 49 HD2 ASN 49 9.982 -10.454 10.753 371 H MET 50 HN MET 50 7.627 -10.186 5.541 372 HA MET 50 HA MET 50 5.388 -8.283 5.668 373 1HB MET 50 HB1 MET 50 4.849 -9.435 3.390 374 2HB MET 50 HB2 MET 50 6.058 -8.172 3.481 375 1HG MET 50 HG2 MET 50 6.830 -9.967 2.099 376 2HG MET 50 HG1 MET 50 7.812 -9.872 3.558 377 1HE MET 50 HE1 MET 50 8.840 -12.226 3.341 378 2HE MET 50 HE2 MET 50 8.050 -13.459 4.324 379 3HE MET 50 HE3 MET 50 8.349 -11.855 4.994 380 H LYS 51 HN LYS 51 3.236 -9.070 5.572 381 HA LYS 51 HA LYS 51 2.974 -11.776 6.686 382 1HB LYS 51 HB1 LYS 51 0.844 -9.652 6.779 383 2HB LYS 51 HB2 LYS 51 1.019 -11.071 7.803 384 1HG LYS 51 HG2 LYS 51 3.340 -9.417 8.056 385 2HG LYS 51 HG1 LYS 51 1.885 -8.452 8.316 386 1HD LYS 51 HD2 LYS 51 1.585 -9.355 10.325 387 2HD LYS 51 HD1 LYS 51 1.638 -10.983 9.648 388 1HE LYS 51 HE1 LYS 51 3.975 -11.127 9.907 389 2HE LYS 51 HE2 LYS 51 4.129 -9.394 10.185 390 1HZ LYS 51 HZ1 LYS 51 4.256 -10.143 12.309 391 2HZ LYS 51 HZ2 LYS 51 3.292 -11.504 12.026 392 3HZ LYS 51 HZ3 LYS 51 2.576 -9.982 12.206 393 HA PRO 52 HA PRO 52 0.792 -13.626 3.379 394 1HB PRO 52 HB1 PRO 52 -1.760 -14.011 4.535 395 2HB PRO 52 HB2 PRO 52 -0.425 -15.165 4.487 396 1HG PRO 52 HG2 PRO 52 -1.258 -13.319 6.665 397 2HG PRO 52 HG1 PRO 52 -0.529 -14.933 6.771 398 1HD PRO 52 HD2 PRO 52 0.906 -12.742 7.285 399 2HD PRO 52 HD1 PRO 52 1.622 -14.116 6.414 400 H GLY 53 HN GLY 53 -1.872 -11.855 4.971 401 1HA GLY 53 HA1 GLY 53 -2.529 -10.714 2.339 402 2HA GLY 53 HA2 GLY 53 -3.668 -10.947 3.654 403 H GLU 54 HN GLU 54 -0.544 -9.264 3.224 404 HA GLU 54 HA GLU 54 -1.562 -7.079 4.864 405 1HB GLU 54 HB2 GLU 54 1.116 -7.969 3.975 406 2HB GLU 54 HB1 GLU 54 0.900 -6.232 4.168 407 1HG GLU 54 HG1 GLU 54 0.420 -8.334 6.265 408 2HG GLU 54 HG2 GLU 54 1.773 -7.205 6.197 409 H ILE 55 HN ILE 55 -1.834 -4.991 4.210 410 HA ILE 55 HA ILE 55 -1.500 -4.359 1.359 411 HB ILE 55 HB ILE 55 -3.965 -3.533 2.885 412 1HG1 ILE 55 HG1 ILE 55 -4.089 -5.643 0.773 413 2HG1 ILE 55 HG1 ILE 55 -3.553 -6.117 2.382 414 1HG2 ILE 55 HG2 ILE 55 -4.758 -3.327 0.429 415 2HG2 ILE 55 HG2 ILE 55 -3.035 -3.334 0.051 416 3HG2 ILE 55 HG2 ILE 55 -3.702 -2.085 1.103 417 1HD1 ILE 55 HD1 ILE 55 -5.600 -5.529 3.354 418 2HD1 ILE 55 HD1 ILE 55 -6.013 -6.376 1.863 419 3HD1 ILE 55 HD1 ILE 55 -6.107 -4.616 1.933 420 H LEU 56 HN LEU 56 0.227 -2.951 1.780 421 HA LEU 56 HA LEU 56 -0.415 -0.677 3.539 422 1HB LEU 56 HB1 LEU 56 2.353 -0.713 3.153 423 2HB LEU 56 HB2 LEU 56 1.473 -1.118 4.613 424 HG LEU 56 HG LEU 56 1.592 -3.332 2.719 425 1HD1 LEU 56 HD1 LEU 56 4.194 -2.919 4.037 426 2HD1 LEU 56 HD1 LEU 56 3.867 -1.889 2.642 427 3HD1 LEU 56 HD1 LEU 56 3.812 -3.643 2.475 428 1HD2 LEU 56 HD2 LEU 56 1.986 -2.810 5.619 429 2HD2 LEU 56 HD2 LEU 56 2.612 -4.307 4.926 430 3HD2 LEU 56 HD2 LEU 56 0.891 -3.933 4.808 431 H GLU 57 HN GLU 57 1.094 1.241 3.025 432 HA GLU 57 HA GLU 57 1.394 1.624 0.141 433 1HB GLU 57 HB2 GLU 57 0.138 3.597 0.044 434 2HB GLU 57 HB1 GLU 57 -0.849 2.526 1.027 435 1HG GLU 57 HG1 GLU 57 0.343 3.666 3.024 436 2HG GLU 57 HG2 GLU 57 0.731 4.921 1.848 437 H VAL 58 HN VAL 58 3.084 2.932 -0.428 438 HA VAL 58 HA VAL 58 4.737 3.930 1.792 439 HB VAL 58 HB VAL 58 5.826 3.298 -0.933 440 1HG1 VAL 58 HG2 VAL 58 7.551 2.709 1.265 441 2HG1 VAL 58 HG2 VAL 58 6.888 4.331 1.467 442 3HG1 VAL 58 HG2 VAL 58 7.751 3.909 -0.013 443 1HG2 VAL 58 HG1 VAL 58 4.664 1.401 0.827 444 2HG2 VAL 58 HG1 VAL 58 6.414 1.184 0.872 445 3HG2 VAL 58 HG1 VAL 58 5.556 1.111 -0.667 446 H TRP 59 HN TRP 59 5.377 5.996 1.803 447 HA TRP 59 HA TRP 59 4.694 7.656 -0.540 448 1HB TRP 59 HB1 TRP 59 3.498 7.828 1.899 449 2HB TRP 59 HB2 TRP 59 4.814 8.980 2.100 450 HD1 TRP 59 HD1 TRP 59 4.247 9.458 -1.346 451 HE1 TRP 59 HE1 TRP 59 2.517 11.296 -1.843 452 HE3 TRP 59 HE3 TRP 59 2.057 9.787 3.265 453 HZ2 TRP 59 HZ2 TRP 59 0.493 12.701 -0.467 454 HZ3 TRP 59 HZ3 TRP 59 0.231 11.404 3.590 455 HH2 TRP 59 HH2 TRP 59 -0.534 12.830 1.761 456 H ILE 60 HN ILE 60 6.545 8.154 -1.529 457 HA ILE 60 HA ILE 60 8.589 9.595 -0.088 458 HB ILE 60 HB ILE 60 10.198 7.790 -1.447 459 1HG1 ILE 60 HG1 ILE 60 9.513 5.609 -0.310 460 2HG1 ILE 60 HG1 ILE 60 7.942 6.356 -0.042 461 1HG2 ILE 60 HG2 ILE 60 9.542 7.763 1.491 462 2HG2 ILE 60 HG2 ILE 60 10.600 8.939 0.711 463 3HG2 ILE 60 HG2 ILE 60 11.040 7.231 0.728 464 1HD1 ILE 60 HD1 ILE 60 8.843 4.975 -2.312 465 2HD1 ILE 60 HD1 ILE 60 8.663 6.665 -2.781 466 3HD1 ILE 60 HD1 ILE 60 7.300 5.796 -2.076 467 H ASP 61 HN ASP 61 10.641 9.388 -1.964 468 HA ASP 61 HA ASP 61 9.372 10.566 -4.347 469 1HB ASP 61 HB2 ASP 61 12.052 11.187 -3.086 470 2HB ASP 61 HB1 ASP 61 11.483 11.867 -4.608 471 H TYR 62 HN TYR 62 11.021 7.906 -3.264 472 HA TYR 62 HA TYR 62 12.033 7.328 -5.967 473 1HB TYR 62 HB1 TYR 62 13.370 7.035 -3.332 474 2HB TYR 62 HB2 TYR 62 13.612 5.730 -4.489 475 HD1 TYR 62 HD1 TYR 62 14.195 6.614 -6.959 476 HD2 TYR 62 HD2 TYR 62 14.909 8.746 -3.347 477 HE1 TYR 62 HE1 TYR 62 15.936 7.932 -8.089 478 HE2 TYR 62 HE2 TYR 62 16.651 10.071 -4.467 479 HH TYR 62 HH TYR 62 18.048 9.238 -7.324 480 HA PRO 63 HA PRO 63 9.133 3.980 -5.865 481 1HB PRO 63 HB2 PRO 63 11.044 2.677 -7.727 482 2HB PRO 63 HB1 PRO 63 9.322 3.009 -7.931 483 1HG PRO 63 HG2 PRO 63 11.150 4.459 -9.217 484 2HG PRO 63 HG1 PRO 63 9.687 5.213 -8.556 485 1HD PRO 63 HD1 PRO 63 12.482 5.236 -7.489 486 2HD PRO 63 HD2 PRO 63 11.275 6.538 -7.517 487 H MET 64 HN MET 64 9.558 3.274 -3.725 488 HA MET 64 HA MET 64 11.758 1.599 -3.053 489 1HB MET 64 HB1 MET 64 10.454 2.916 -1.394 490 2HB MET 64 HB2 MET 64 9.078 1.855 -1.669 491 1HG MET 64 HG1 MET 64 11.544 0.446 -0.985 492 2HG MET 64 HG2 MET 64 10.963 1.537 0.272 493 1HE MET 64 HE1 MET 64 7.908 0.973 1.222 494 2HE MET 64 HE2 MET 64 9.563 1.172 1.794 495 3HE MET 64 HE3 MET 64 8.681 -0.313 2.150 496 H SER 65 HN SER 65 8.656 1.078 -4.487 497 HA SER 65 HA SER 65 8.335 -1.662 -3.924 498 1HB SER 65 HB2 SER 65 7.334 -0.033 -6.274 499 2HB SER 65 HB1 SER 65 6.777 -1.655 -5.860 500 HG SER 65 HG SER 65 5.351 -0.290 -4.912 501 H LYS 66 HN LYS 66 10.585 -0.056 -5.878 502 HA LYS 66 HA LYS 66 10.962 -1.828 -8.000 503 1HB LYS 66 HB2 LYS 66 13.048 -0.792 -8.345 504 2HB LYS 66 HB1 LYS 66 12.046 0.456 -7.617 505 1HG LYS 66 HG2 LYS 66 13.187 0.387 -5.609 506 2HG LYS 66 HG1 LYS 66 13.808 -1.238 -5.900 507 1HD LYS 66 HD1 LYS 66 15.616 -0.469 -6.969 508 2HD LYS 66 HD2 LYS 66 14.670 0.686 -7.910 509 1HE LYS 66 HE2 LYS 66 16.155 1.969 -6.594 510 2HE LYS 66 HE1 LYS 66 14.570 2.114 -5.833 511 1HZ LYS 66 HZ1 LYS 66 16.575 1.664 -4.348 512 2HZ LYS 66 HZ2 LYS 66 16.512 0.079 -4.935 513 3HZ LYS 66 HZ3 LYS 66 15.192 0.724 -4.097 514 H GLU 67 HN GLU 67 11.999 -1.999 -4.663 515 HA GLU 67 HA GLU 67 13.507 -4.453 -5.177 516 1HB GLU 67 HB2 GLU 67 13.600 -2.366 -3.174 517 2HB GLU 67 HB1 GLU 67 13.466 -3.947 -2.416 518 1HG GLU 67 HG1 GLU 67 15.383 -4.230 -4.434 519 2HG GLU 67 HG2 GLU 67 15.735 -2.696 -3.641 520 H ARG 68 HN ARG 68 10.531 -3.277 -3.853 521 HA ARG 68 HA ARG 68 9.772 -5.496 -2.317 522 1HB ARG 68 HB1 ARG 68 8.243 -3.340 -3.740 523 2HB ARG 68 HB2 ARG 68 7.390 -4.661 -2.951 524 1HG ARG 68 HG1 ARG 68 9.045 -3.920 -0.963 525 2HG ARG 68 HG2 ARG 68 8.834 -2.374 -1.790 526 1HD ARG 68 HD1 ARG 68 6.762 -2.146 -1.009 527 2HD ARG 68 HD2 ARG 68 6.323 -3.777 -1.513 528 HE ARG 68 HE ARG 68 7.335 -4.538 0.616 529 1HH1 ARG 68 HH1 ARG 68 6.285 -1.232 0.290 530 2HH1 ARG 68 HH1 ARG 68 6.048 -1.004 1.990 531 1HH2 ARG 68 HH2 ARG 68 7.026 -4.247 2.857 532 2HH2 ARG 68 HH2 ARG 68 6.468 -2.717 3.449 533 H ILE 69 HN ILE 69 9.578 -4.881 -5.779 534 HA ILE 69 HA ILE 69 7.847 -6.997 -6.440 535 HB ILE 69 HB ILE 69 10.009 -5.821 -8.181 536 1HG1 ILE 69 HG1 ILE 69 7.138 -5.052 -8.413 537 2HG1 ILE 69 HG1 ILE 69 8.064 -4.363 -7.082 538 1HG2 ILE 69 HG2 ILE 69 8.730 -6.649 -10.043 539 2HG2 ILE 69 HG2 ILE 69 7.477 -7.255 -8.961 540 3HG2 ILE 69 HG2 ILE 69 9.082 -7.985 -8.948 541 1HD1 ILE 69 HD1 ILE 69 9.067 -4.230 -9.896 542 2HD1 ILE 69 HD1 ILE 69 9.502 -3.229 -8.511 543 3HD1 ILE 69 HD1 ILE 69 7.918 -3.049 -9.267 544 HA PRO 70 HA PRO 70 12.012 -9.526 -7.468 545 1HB PRO 70 HB2 PRO 70 13.564 -8.269 -5.244 546 2HB PRO 70 HB1 PRO 70 14.136 -8.933 -6.779 547 1HG PRO 70 HG2 PRO 70 13.931 -6.303 -6.436 548 2HG PRO 70 HG1 PRO 70 13.492 -7.056 -7.981 549 1HD PRO 70 HD2 PRO 70 11.738 -5.961 -5.841 550 2HD PRO 70 HD1 PRO 70 11.487 -6.005 -7.595 551 H GLU 71 HN GLU 71 11.024 -8.404 -4.267 552 HA GLU 71 HA GLU 71 11.579 -10.860 -2.929 553 1HB GLU 71 HB1 GLU 71 10.466 -8.265 -2.264 554 2HB GLU 71 HB2 GLU 71 9.556 -9.559 -1.500 555 1HG GLU 71 HG2 GLU 71 12.534 -9.536 -1.334 556 2HG GLU 71 HG1 GLU 71 11.579 -8.496 -0.278 557 H THR 72 HN THR 72 8.480 -9.349 -3.852 558 HA THR 72 HA THR 72 6.869 -11.534 -3.222 559 HB THR 72 HB THR 72 5.776 -10.093 -5.463 560 HG1 THR 72 HG1 THR 72 6.281 -8.102 -5.024 561 1HG2 THR 72 HG2 THR 72 4.596 -11.131 -3.461 562 2HG2 THR 72 HG2 THR 72 4.030 -9.560 -4.032 563 3HG2 THR 72 HG2 THR 72 5.051 -9.662 -2.597 564 H VAL 73 HN VAL 73 8.769 -10.892 -6.090 565 HA VAL 73 HA VAL 73 7.440 -12.822 -7.717 566 HB VAL 73 HB VAL 73 8.833 -10.887 -8.579 567 1HG1 VAL 73 HG1 VAL 73 10.953 -12.609 -7.447 568 2HG1 VAL 73 HG1 VAL 73 10.891 -10.856 -7.630 569 3HG1 VAL 73 HG1 VAL 73 11.278 -11.874 -9.017 570 1HG2 VAL 73 HG2 VAL 73 8.345 -13.466 -9.616 571 2HG2 VAL 73 HG2 VAL 73 9.963 -12.993 -10.131 572 3HG2 VAL 73 HG2 VAL 73 8.583 -11.961 -10.503 573 H LYS 74 HN LYS 74 10.056 -12.913 -5.421 574 HA LYS 74 HA LYS 74 11.204 -15.384 -6.130 575 1HB LYS 74 HB1 LYS 74 12.132 -13.766 -4.444 576 2HB LYS 74 HB2 LYS 74 10.869 -14.279 -3.334 577 1HG LYS 74 HG1 LYS 74 12.694 -15.533 -2.671 578 2HG LYS 74 HG2 LYS 74 11.806 -16.650 -3.708 579 1HD LYS 74 HD2 LYS 74 13.549 -16.844 -5.074 580 2HD LYS 74 HD1 LYS 74 13.623 -15.093 -5.288 581 1HE LYS 74 HE1 LYS 74 15.445 -14.969 -4.026 582 2HE LYS 74 HE2 LYS 74 14.628 -15.793 -2.699 583 1HZ LYS 74 HZ1 LYS 74 16.081 -17.066 -4.952 584 2HZ LYS 74 HZ2 LYS 74 15.180 -17.917 -3.799 585 3HZ LYS 74 HZ3 LYS 74 16.548 -17.041 -3.327 586 H LYS 75 HN LYS 75 8.454 -14.489 -4.128 587 HA LYS 75 HA LYS 75 7.743 -17.290 -3.701 588 1HB LYS 75 HB1 LYS 75 6.333 -14.774 -2.787 589 2HB LYS 75 HB2 LYS 75 5.948 -16.415 -2.285 590 1HG LYS 75 HG2 LYS 75 7.261 -15.986 -0.536 591 2HG LYS 75 HG1 LYS 75 8.599 -16.239 -1.659 592 1HD LYS 75 HD2 LYS 75 9.054 -14.185 -0.605 593 2HD LYS 75 HD1 LYS 75 8.419 -13.762 -2.197 594 1HE LYS 75 HE1 LYS 75 6.165 -13.511 -1.117 595 2HE LYS 75 HE2 LYS 75 6.970 -13.685 0.442 596 1HZ LYS 75 HZ1 LYS 75 6.785 -11.400 -1.239 597 2HZ LYS 75 HZ2 LYS 75 8.402 -11.766 -0.903 598 3HZ LYS 75 HZ3 LYS 75 7.312 -11.509 0.365 599 H LEU 76 HN LEU 76 5.662 -14.532 -4.487 600 HA LEU 76 HA LEU 76 4.270 -16.193 -6.465 601 1HB LEU 76 HB1 LEU 76 2.691 -14.048 -6.316 602 2HB LEU 76 HB2 LEU 76 2.558 -15.401 -5.207 603 HG LEU 76 HG LEU 76 4.418 -13.286 -4.346 604 1HD1 LEU 76 HD2 LEU 76 1.691 -12.651 -5.178 605 2HD1 LEU 76 HD2 LEU 76 3.058 -11.586 -4.846 606 3HD1 LEU 76 HD2 LEU 76 2.066 -12.186 -3.518 607 1HD2 LEU 76 HD1 LEU 76 2.576 -13.717 -2.375 608 2HD2 LEU 76 HD1 LEU 76 4.089 -14.603 -2.569 609 3HD2 LEU 76 HD1 LEU 76 2.589 -15.264 -3.220 610 H GLY 77 HN GLY 77 4.023 -12.740 -6.556 611 1HA GLY 77 HA2 GLY 77 5.905 -12.531 -8.787 612 2HA GLY 77 HA1 GLY 77 4.220 -12.143 -9.103 613 H HIS 78 HN HIS 78 3.255 -10.367 -7.914 614 HA HIS 78 HA HIS 78 5.098 -8.563 -6.565 615 1HB HIS 78 HB1 HIS 78 3.796 -6.765 -8.179 616 2HB HIS 78 HB2 HIS 78 5.436 -7.354 -8.437 617 HD2 HIS 78 HD2 HIS 78 5.677 -7.891 -11.038 618 HE1 HIS 78 HE1 HIS 78 1.872 -9.659 -11.603 619 HE2 HIS 78 HE2 HIS 78 4.074 -9.060 -12.711 620 H GLU 79 HN GLU 79 4.008 -6.793 -5.462 621 HA GLU 79 HA GLU 79 1.258 -7.490 -4.740 622 1HB GLU 79 HB1 GLU 79 2.289 -5.582 -2.939 623 2HB GLU 79 HB2 GLU 79 2.003 -7.290 -2.636 624 1HG GLU 79 HG1 GLU 79 4.340 -7.607 -3.716 625 2HG GLU 79 HG2 GLU 79 4.542 -5.896 -3.347 626 H VAL 80 HN VAL 80 0.986 -6.347 -6.959 627 HA VAL 80 HA VAL 80 1.045 -3.437 -6.702 628 HB VAL 80 HB VAL 80 0.049 -4.211 -9.249 629 1HG1 VAL 80 HG1 VAL 80 1.550 -2.259 -8.343 630 2HG1 VAL 80 HG1 VAL 80 1.678 -2.797 -10.017 631 3HG1 VAL 80 HG1 VAL 80 2.862 -3.334 -8.825 632 1HG2 VAL 80 HG2 VAL 80 0.928 -6.305 -9.379 633 2HG2 VAL 80 HG2 VAL 80 2.187 -5.973 -8.189 634 3HG2 VAL 80 HG2 VAL 80 2.361 -5.389 -9.844 635 H LEU 81 HN LEU 81 -0.692 -2.338 -6.176 636 HA LEU 81 HA LEU 81 -3.306 -3.269 -7.067 637 1HB LEU 81 HB1 LEU 81 -4.343 -2.928 -4.924 638 2HB LEU 81 HB2 LEU 81 -3.036 -4.082 -4.763 639 HG LEU 81 HG LEU 81 -2.794 -1.164 -4.019 640 1HD1 LEU 81 HD2 LEU 81 -4.427 -2.775 -2.701 641 2HD1 LEU 81 HD2 LEU 81 -3.379 -1.622 -1.872 642 3HD1 LEU 81 HD2 LEU 81 -2.909 -3.322 -1.981 643 1HD2 LEU 81 HD1 LEU 81 -0.884 -2.246 -2.650 644 2HD2 LEU 81 HD1 LEU 81 -0.650 -1.919 -4.366 645 3HD2 LEU 81 HD1 LEU 81 -1.021 -3.554 -3.824 646 H GLU 82 HN GLU 82 -1.270 -0.641 -5.907 647 HA GLU 82 HA GLU 82 -2.961 1.190 -7.433 648 1HB GLU 82 HB2 GLU 82 -3.349 0.975 -4.705 649 2HB GLU 82 HB1 GLU 82 -2.319 2.388 -4.865 650 1HG GLU 82 HG1 GLU 82 -4.826 2.714 -4.869 651 2HG GLU 82 HG2 GLU 82 -3.898 3.528 -6.128 652 H ILE 83 HN ILE 83 -1.866 2.734 -8.438 653 HA ILE 83 HA ILE 83 0.817 3.475 -7.492 654 HB ILE 83 HB ILE 83 0.412 3.348 -10.431 655 1HG1 ILE 83 HG1 ILE 83 -0.429 1.147 -9.528 656 2HG1 ILE 83 HG1 ILE 83 0.943 1.025 -10.625 657 1HG2 ILE 83 HG2 ILE 83 2.448 4.225 -9.144 658 2HG2 ILE 83 HG2 ILE 83 2.729 3.150 -10.512 659 3HG2 ILE 83 HG2 ILE 83 2.829 2.527 -8.866 660 1HD1 ILE 83 HD1 ILE 83 1.355 -0.481 -8.869 661 2HD1 ILE 83 HD1 ILE 83 0.923 0.712 -7.645 662 3HD1 ILE 83 HD1 ILE 83 2.407 0.904 -8.577 663 H GLU 84 HN GLU 84 1.026 5.654 -7.350 664 HA GLU 84 HA GLU 84 -0.231 7.391 -9.277 665 1HB GLU 84 HB1 GLU 84 -1.404 8.709 -7.433 666 2HB GLU 84 HB2 GLU 84 -2.150 7.197 -7.931 667 1HG GLU 84 HG2 GLU 84 -1.471 6.088 -5.984 668 2HG GLU 84 HG1 GLU 84 -0.302 7.344 -5.577 669 H GLU 85 HN GLU 85 0.065 9.774 -8.498 670 HA GLU 85 HA GLU 85 2.615 10.065 -7.074 671 1HB GLU 85 HB1 GLU 85 3.418 11.657 -8.745 672 2HB GLU 85 HB2 GLU 85 3.109 10.091 -9.480 673 1HG GLU 85 HG1 GLU 85 0.730 11.299 -9.883 674 2HG GLU 85 HG2 GLU 85 1.816 12.687 -9.938 675 H VAL 86 HN VAL 86 3.037 12.596 -6.860 676 HA VAL 86 HA VAL 86 0.516 13.965 -6.260 677 HB VAL 86 HB VAL 86 1.149 12.966 -4.153 678 1HG1 VAL 86 HG2 VAL 86 3.261 13.386 -3.068 679 2HG1 VAL 86 HG2 VAL 86 3.783 14.410 -4.406 680 3HG1 VAL 86 HG2 VAL 86 3.551 12.680 -4.658 681 1HG2 VAL 86 HG1 VAL 86 1.029 15.819 -4.589 682 2HG2 VAL 86 HG1 VAL 86 1.941 15.425 -3.131 683 3HG2 VAL 86 HG1 VAL 86 0.288 14.840 -3.323 684 H GLY 87 HN GLY 87 4.055 14.224 -6.489 685 1HA GLY 87 HA1 GLY 87 3.668 16.934 -7.588 686 2HA GLY 87 HA2 GLY 87 4.895 16.631 -6.368 687 HA PRO 88 HA PRO 88 7.106 16.338 -10.382 688 1HB PRO 88 HB2 PRO 88 9.544 16.952 -9.303 689 2HB PRO 88 HB1 PRO 88 8.382 18.161 -9.860 690 1HG PRO 88 HG1 PRO 88 8.921 17.183 -7.083 691 2HG PRO 88 HG2 PRO 88 8.630 18.838 -7.652 692 1HD PRO 88 HD1 PRO 88 6.710 17.381 -6.446 693 2HD PRO 88 HD2 PRO 88 6.341 18.540 -7.740 694 H SER 89 HN SER 89 9.275 15.531 -7.704 695 HA SER 89 HA SER 89 9.650 12.885 -8.889 696 1HB SER 89 HB2 SER 89 11.737 12.780 -7.707 697 2HB SER 89 HB1 SER 89 11.630 14.385 -8.430 698 HG SER 89 HG SER 89 12.307 14.475 -6.249 699 H GLU 90 HN GLU 90 7.814 14.260 -6.562 700 HA GLU 90 HA GLU 90 8.001 12.055 -4.655 701 1HB GLU 90 HB2 GLU 90 6.114 13.466 -3.528 702 2HB GLU 90 HB1 GLU 90 7.782 14.017 -3.451 703 1HG GLU 90 HG1 GLU 90 7.258 15.424 -5.494 704 2HG GLU 90 HG2 GLU 90 5.563 15.046 -5.186 705 H TRP 91 HN TRP 91 6.593 10.414 -4.572 706 HA TRP 91 HA TRP 91 3.976 10.671 -5.819 707 1HB TRP 91 HB2 TRP 91 4.521 8.295 -6.875 708 2HB TRP 91 HB1 TRP 91 4.894 9.789 -7.728 709 HD1 TRP 91 HD1 TRP 91 6.840 7.636 -5.129 710 HE1 TRP 91 HE1 TRP 91 9.250 7.365 -5.991 711 HE3 TRP 91 HE3 TRP 91 6.451 10.292 -9.480 712 HZ2 TRP 91 HZ2 TRP 91 10.784 8.170 -8.220 713 HZ3 TRP 91 HZ3 TRP 91 8.435 10.494 -10.920 714 HH2 TRP 91 HH2 TRP 91 10.557 9.454 -10.302 715 H LYS 92 HN LYS 92 2.677 8.611 -5.492 716 HA LYS 92 HA LYS 92 3.392 7.344 -2.936 717 1HB LYS 92 HB1 LYS 92 1.656 9.034 -2.552 718 2HB LYS 92 HB2 LYS 92 0.655 8.303 -3.799 719 1HG LYS 92 HG1 LYS 92 0.030 6.565 -2.480 720 2HG LYS 92 HG2 LYS 92 1.536 6.577 -1.559 721 1HD LYS 92 HD2 LYS 92 0.140 7.425 0.029 722 2HD LYS 92 HD1 LYS 92 0.593 8.930 -0.775 723 1HE LYS 92 HE2 LYS 92 -1.430 8.895 -2.084 724 2HE LYS 92 HE1 LYS 92 -1.862 7.312 -1.440 725 1HZ LYS 92 HZ1 LYS 92 -2.768 9.606 -0.446 726 2HZ LYS 92 HZ2 LYS 92 -1.406 9.391 0.533 727 3HZ LYS 92 HZ3 LYS 92 -2.602 8.196 0.474 728 H ILE 93 HN ILE 93 3.369 5.194 -2.990 729 HA ILE 93 HA ILE 93 1.854 3.870 -5.143 730 HB ILE 93 HB ILE 93 4.497 2.893 -4.071 731 1HG1 ILE 93 HG1 ILE 93 4.390 3.930 -6.828 732 2HG1 ILE 93 HG1 ILE 93 4.214 5.158 -5.577 733 1HG2 ILE 93 HG2 ILE 93 2.975 1.214 -5.061 734 2HG2 ILE 93 HG2 ILE 93 4.478 1.405 -5.965 735 3HG2 ILE 93 HG2 ILE 93 2.988 2.133 -6.566 736 1HD1 ILE 93 HD1 ILE 93 6.321 4.676 -4.664 737 2HD1 ILE 93 HD1 ILE 93 6.552 4.706 -6.413 738 3HD1 ILE 93 HD1 ILE 93 6.452 3.164 -5.563 739 H TYR 94 HN TYR 94 0.997 1.825 -4.670 740 HA TYR 94 HA TYR 94 0.903 1.162 -1.805 741 1HB TYR 94 HB1 TYR 94 -1.284 1.017 -3.883 742 2HB TYR 94 HB2 TYR 94 -1.374 0.141 -2.363 743 HD1 TYR 94 HD1 TYR 94 -2.742 1.123 -0.809 744 HD2 TYR 94 HD2 TYR 94 -0.486 3.635 -3.400 745 HE1 TYR 94 HE1 TYR 94 -3.700 3.105 0.286 746 HE2 TYR 94 HE2 TYR 94 -1.438 5.623 -2.311 747 HH TYR 94 HH TYR 94 -3.084 5.504 0.618 748 H ILE 95 HN ILE 95 1.340 -0.862 -1.232 749 HA ILE 95 HA ILE 95 1.640 -2.902 -3.333 750 HB ILE 95 HB ILE 95 3.694 -1.813 -1.754 751 1HG1 ILE 95 HG1 ILE 95 5.048 -3.641 -2.841 752 2HG1 ILE 95 HG1 ILE 95 3.537 -4.301 -3.460 753 1HG2 ILE 95 HG2 ILE 95 2.940 -4.570 -0.813 754 2HG2 ILE 95 HG2 ILE 95 3.138 -3.109 0.155 755 3HG2 ILE 95 HG2 ILE 95 4.543 -3.869 -0.594 756 1HD1 ILE 95 HD1 ILE 95 5.133 -2.091 -4.428 757 2HD1 ILE 95 HD1 ILE 95 3.438 -1.656 -4.216 758 3HD1 ILE 95 HD1 ILE 95 3.876 -3.025 -5.239 759 H LYS 96 HN LYS 96 0.952 -5.016 -2.777 760 HA LYS 96 HA LYS 96 -0.233 -5.290 -0.102 761 1HB LYS 96 HB1 LYS 96 -2.283 -6.325 -1.181 762 2HB LYS 96 HB2 LYS 96 -2.120 -4.582 -1.304 763 1HG LYS 96 HG2 LYS 96 -2.540 -4.865 -3.469 764 2HG LYS 96 HG1 LYS 96 -0.882 -5.454 -3.586 765 1HD LYS 96 HD1 LYS 96 -1.622 -7.444 -4.208 766 2HD LYS 96 HD2 LYS 96 -2.519 -7.596 -2.696 767 1HE LYS 96 HE2 LYS 96 -4.297 -7.710 -4.080 768 2HE LYS 96 HE1 LYS 96 -4.163 -5.952 -4.045 769 1HZ LYS 96 HZ1 LYS 96 -3.577 -5.893 -6.181 770 2HZ LYS 96 HZ2 LYS 96 -4.137 -7.487 -6.275 771 3HZ LYS 96 HZ3 LYS 96 -2.491 -7.181 -6.032 772 H VAL 97 HN VAL 97 0.866 -6.937 0.705 773 HA VAL 97 HA VAL 97 1.935 -9.088 -0.785 774 HB VAL 97 HB VAL 97 1.272 -9.354 2.127 775 1HG1 VAL 97 HG2 VAL 97 2.895 -10.922 2.166 776 2HG1 VAL 97 HG2 VAL 97 3.918 -10.047 1.026 777 3HG1 VAL 97 HG2 VAL 97 2.559 -11.003 0.437 778 1HG2 VAL 97 HG1 VAL 97 3.373 -8.148 2.655 779 2HG2 VAL 97 HG1 VAL 97 2.121 -7.109 1.972 780 3HG2 VAL 97 HG1 VAL 97 3.468 -7.644 0.967 781 H LYS 98 HN LYS 98 0.872 -10.710 -1.704 782 HA LYS 98 HA LYS 98 -1.870 -11.281 -0.928 783 1HB LYS 98 HB1 LYS 98 -0.463 -11.339 -3.346 784 2HB LYS 98 HB2 LYS 98 -0.782 -13.027 -2.972 785 1HG LYS 98 HG2 LYS 98 -3.016 -12.816 -3.259 786 2HG LYS 98 HG1 LYS 98 -3.046 -11.150 -2.677 787 1HD LYS 98 HD2 LYS 98 -3.484 -10.855 -4.920 788 2HD LYS 98 HD1 LYS 98 -1.730 -10.662 -4.881 789 1HE LYS 98 HE2 LYS 98 -2.228 -12.086 -6.713 790 2HE LYS 98 HE1 LYS 98 -1.547 -13.100 -5.442 791 1HZ LYS 98 HZ1 LYS 98 -3.388 -14.269 -6.228 792 2HZ LYS 98 HZ2 LYS 98 -4.367 -12.891 -6.301 793 3HZ LYS 98 HZ3 LYS 98 -3.945 -13.549 -4.802 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -4.785 -14.971 20.743 2 2H GLY 1 HT2 GLY 1 -5.396 -15.915 22.007 3 3H GLY 1 HT3 GLY 1 -4.477 -14.536 22.349 4 1HA GLY 1 HA1 GLY 1 -7.198 -14.646 21.176 5 2HA GLY 1 HA2 GLY 1 -6.743 -13.986 22.740 6 H SER 2 HN SER 2 -7.030 -13.399 19.371 7 HA SER 2 HA SER 2 -5.518 -10.960 19.330 8 1HB SER 2 HB1 SER 2 -7.134 -12.528 17.414 9 2HB SER 2 HB2 SER 2 -7.111 -10.786 17.133 10 HG SER 2 HG SER 2 -5.351 -11.478 16.083 11 H SER 3 HN SER 3 -6.350 -8.841 19.115 12 HA SER 3 HA SER 3 -8.736 -8.399 20.688 13 1HB SER 3 HB1 SER 3 -7.503 -6.028 19.494 14 2HB SER 3 HB2 SER 3 -7.809 -6.405 21.189 15 HG SER 3 HG SER 3 -5.679 -6.503 21.152 16 H HIS 4 HN HIS 4 -10.230 -6.572 19.935 17 HA HIS 4 HA HIS 4 -11.333 -7.372 17.395 18 1HB HIS 4 HB2 HIS 4 -12.238 -5.337 19.441 19 2HB HIS 4 HB1 HIS 4 -13.140 -5.736 17.982 20 HD2 HIS 4 HD2 HIS 4 -12.546 -7.042 21.540 21 HE1 HIS 4 HE1 HIS 4 -14.973 -9.845 19.496 22 HE2 HIS 4 HE2 HIS 4 -14.027 -9.163 21.749 23 H HIS 5 HN HIS 5 -9.015 -5.167 18.306 24 HA HIS 5 HA HIS 5 -9.569 -3.464 15.965 25 1HB HIS 5 HB1 HIS 5 -8.207 -2.785 18.576 26 2HB HIS 5 HB2 HIS 5 -8.146 -1.744 17.158 27 HD2 HIS 5 HD2 HIS 5 -9.711 0.296 17.975 28 HE1 HIS 5 HE1 HIS 5 -13.068 -2.049 19.046 29 HE2 HIS 5 HE2 HIS 5 -12.186 0.311 18.756 30 H HIS 6 HN HIS 6 -7.508 -2.449 15.072 31 HA HIS 6 HA HIS 6 -5.314 -4.413 15.123 32 1HB HIS 6 HB2 HIS 6 -6.944 -4.104 12.991 33 2HB HIS 6 HB1 HIS 6 -5.738 -2.874 12.625 34 HD2 HIS 6 HD2 HIS 6 -3.027 -4.396 13.396 35 HE1 HIS 6 HE1 HIS 6 -4.477 -7.462 10.862 36 HE2 HIS 6 HE2 HIS 6 -2.427 -6.510 12.015 37 H HIS 7 HN HIS 7 -6.225 -1.059 14.427 38 HA HIS 7 HA HIS 7 -3.594 -0.056 14.227 39 1HB HIS 7 HB2 HIS 7 -6.280 1.196 14.717 40 2HB HIS 7 HB1 HIS 7 -4.816 2.167 14.826 41 HD2 HIS 7 HD2 HIS 7 -5.365 -0.533 12.034 42 HE1 HIS 7 HE1 HIS 7 -5.234 3.323 10.293 43 HE2 HIS 7 HE2 HIS 7 -5.343 0.832 9.828 44 H HIS 8 HN HIS 8 -5.919 0.606 16.854 45 HA HIS 8 HA HIS 8 -3.632 0.710 18.706 46 1HB HIS 8 HB2 HIS 8 -5.302 2.737 18.218 47 2HB HIS 8 HB1 HIS 8 -6.252 1.915 19.452 48 HD2 HIS 8 HD2 HIS 8 -5.804 3.187 21.752 49 HE1 HIS 8 HE1 HIS 8 -1.638 3.760 21.273 50 HE2 HIS 8 HE2 HIS 8 -3.619 4.092 22.821 51 H HIS 9 HN HIS 9 -4.529 0.383 21.088 52 HA HIS 9 HA HIS 9 -5.887 -2.222 21.057 53 1HB HIS 9 HB1 HIS 9 -3.876 -0.965 22.901 54 2HB HIS 9 HB2 HIS 9 -4.897 -2.281 23.470 55 HD2 HIS 9 HD2 HIS 9 -1.716 -1.701 21.448 56 HE1 HIS 9 HE1 HIS 9 -2.758 -5.785 21.062 57 HE2 HIS 9 HE2 HIS 9 -0.958 -4.048 20.643 58 H SER 10 HN SER 10 -6.170 1.037 22.116 59 HA SER 10 HA SER 10 -8.041 0.582 24.226 60 1HB SER 10 HB2 SER 10 -7.604 3.127 22.646 61 2HB SER 10 HB1 SER 10 -8.328 2.983 24.248 62 HG SER 10 HG SER 10 -6.363 3.277 24.925 63 H SER 11 HN SER 11 -10.018 -0.187 23.915 64 HA SER 11 HA SER 11 -11.338 0.095 21.353 65 1HB SER 11 HB1 SER 11 -13.040 -1.067 23.353 66 2HB SER 11 HB2 SER 11 -12.299 -1.836 21.949 67 HG SER 11 HG SER 11 -11.246 -2.894 23.441 68 H GLY 12 HN GLY 12 -10.916 2.508 23.018 69 1HA GLY 12 HA1 GLY 12 -13.315 3.305 24.265 70 2HA GLY 12 HA2 GLY 12 -12.070 4.386 23.659 71 H LEU 13 HN LEU 13 -12.081 4.696 21.233 72 HA LEU 13 HA LEU 13 -14.791 5.347 20.437 73 1HB LEU 13 HB2 LEU 13 -12.739 6.850 20.155 74 2HB LEU 13 HB1 LEU 13 -12.289 5.800 18.826 75 HG LEU 13 HG LEU 13 -14.860 6.419 18.159 76 1HD1 LEU 13 HD2 LEU 13 -13.669 8.845 19.493 77 2HD1 LEU 13 HD2 LEU 13 -15.130 7.984 19.981 78 3HD1 LEU 13 HD2 LEU 13 -15.089 8.854 18.446 79 1HD2 LEU 13 HD1 LEU 13 -13.913 7.814 16.465 80 2HD2 LEU 13 HD1 LEU 13 -12.799 6.479 16.759 81 3HD2 LEU 13 HD1 LEU 13 -12.455 8.076 17.424 82 H VAL 14 HN VAL 14 -15.563 4.859 18.242 83 HA VAL 14 HA VAL 14 -15.495 2.089 17.723 84 HB VAL 14 HB VAL 14 -16.769 2.624 15.671 85 1HG1 VAL 14 HG1 VAL 14 -17.501 3.135 18.363 86 2HG1 VAL 14 HG1 VAL 14 -18.527 2.619 17.025 87 3HG1 VAL 14 HG1 VAL 14 -18.293 4.337 17.346 88 1HG2 VAL 14 HG2 VAL 14 -17.244 4.829 14.992 89 2HG2 VAL 14 HG2 VAL 14 -15.503 4.791 15.275 90 3HG2 VAL 14 HG2 VAL 14 -16.575 5.514 16.474 91 HA PRO 15 HA PRO 15 -11.900 1.759 15.158 92 1HB PRO 15 HB1 PRO 15 -12.460 -0.552 13.868 93 2HB PRO 15 HB2 PRO 15 -12.004 -0.502 15.575 94 1HG PRO 15 HG2 PRO 15 -14.724 -0.732 14.344 95 2HG PRO 15 HG1 PRO 15 -14.047 -1.606 15.730 96 1HD PRO 15 HD2 PRO 15 -15.716 0.521 15.996 97 2HD PRO 15 HD1 PRO 15 -14.457 0.129 17.183 98 H ARG 16 HN ARG 16 -11.850 3.334 13.629 99 HA ARG 16 HA ARG 16 -13.748 3.351 11.443 100 1HB ARG 16 HB2 ARG 16 -12.437 5.332 12.749 101 2HB ARG 16 HB1 ARG 16 -11.404 5.146 11.338 102 1HG ARG 16 HG1 ARG 16 -12.934 6.011 9.937 103 2HG ARG 16 HG2 ARG 16 -14.291 5.270 10.789 104 1HD ARG 16 HD2 ARG 16 -14.666 7.461 11.300 105 2HD ARG 16 HD1 ARG 16 -13.626 7.012 12.651 106 HE ARG 16 HE ARG 16 -11.990 7.932 10.594 107 1HH1 ARG 16 HH1 ARG 16 -14.456 9.159 12.729 108 2HH1 ARG 16 HH1 ARG 16 -13.825 10.773 12.738 109 1HH2 ARG 16 HH2 ARG 16 -11.153 10.054 10.602 110 2HH2 ARG 16 HH2 ARG 16 -11.949 11.280 11.530 111 H GLY 17 HN GLY 17 -11.828 1.095 11.689 112 1HA GLY 17 HA2 GLY 17 -9.934 1.452 9.535 113 2HA GLY 17 HA1 GLY 17 -10.222 -0.026 10.439 114 H SER 18 HN SER 18 -11.868 -1.439 9.781 115 HA SER 18 HA SER 18 -12.391 -1.372 6.943 116 1HB SER 18 HB2 SER 18 -12.258 -3.370 8.992 117 2HB SER 18 HB1 SER 18 -13.818 -3.495 8.179 118 HG SER 18 HG SER 18 -12.416 -3.318 6.183 119 H HIS 19 HN HIS 19 -13.680 0.663 8.653 120 HA HIS 19 HA HIS 19 -16.344 0.184 9.197 121 1HB HIS 19 HB2 HIS 19 -14.895 2.291 9.620 122 2HB HIS 19 HB1 HIS 19 -15.437 2.799 8.023 123 HD2 HIS 19 HD2 HIS 19 -17.470 4.493 8.306 124 HE1 HIS 19 HE1 HIS 19 -19.302 2.632 11.637 125 HE2 HIS 19 HE2 HIS 19 -19.449 4.548 9.982 126 H MET 20 HN MET 20 -15.475 2.178 6.390 127 HA MET 20 HA MET 20 -17.857 1.317 5.019 128 1HB MET 20 HB1 MET 20 -15.681 3.042 3.852 129 2HB MET 20 HB2 MET 20 -17.389 3.009 3.433 130 1HG MET 20 HG1 MET 20 -18.009 4.161 5.362 131 2HG MET 20 HG2 MET 20 -16.472 3.834 6.160 132 1HE MET 20 HE1 MET 20 -17.551 4.930 2.731 133 2HE MET 20 HE2 MET 20 -16.743 6.470 2.436 134 3HE MET 20 HE3 MET 20 -18.205 6.415 3.422 135 H ALA 21 HN ALA 21 -14.840 1.788 3.292 136 HA ALA 21 HA ALA 21 -15.287 -0.620 1.784 137 1HB ALA 21 HB1 ALA 21 -14.399 0.869 0.345 138 2HB ALA 21 HB2 ALA 21 -12.875 0.205 0.931 139 3HB ALA 21 HB3 ALA 21 -13.496 1.712 1.604 140 H LYS 22 HN LYS 22 -13.152 -1.923 1.278 141 HA LYS 22 HA LYS 22 -12.335 -3.059 3.830 142 1HB LYS 22 HB1 LYS 22 -11.580 -4.118 1.117 143 2HB LYS 22 HB2 LYS 22 -11.716 -4.994 2.635 144 1HG LYS 22 HG1 LYS 22 -14.004 -5.134 2.508 145 2HG LYS 22 HG2 LYS 22 -14.141 -3.707 1.476 146 1HD LYS 22 HD2 LYS 22 -13.311 -4.915 -0.417 147 2HD LYS 22 HD1 LYS 22 -12.916 -6.313 0.585 148 1HE LYS 22 HE2 LYS 22 -15.673 -5.241 -0.002 149 2HE LYS 22 HE1 LYS 22 -14.962 -6.722 -0.645 150 1HZ LYS 22 HZ1 LYS 22 -16.369 -6.369 1.752 151 2HZ LYS 22 HZ2 LYS 22 -14.785 -6.818 2.141 152 3HZ LYS 22 HZ3 LYS 22 -15.713 -7.795 1.121 153 H TYR 23 HN TYR 23 -11.151 -0.701 3.727 154 HA TYR 23 HA TYR 23 -8.471 -1.048 2.600 155 1HB TYR 23 HB2 TYR 23 -10.048 1.305 3.574 156 2HB TYR 23 HB1 TYR 23 -8.290 1.401 3.548 157 HD1 TYR 23 HD1 TYR 23 -11.271 1.767 1.646 158 HD2 TYR 23 HD2 TYR 23 -7.126 0.871 1.305 159 HE1 TYR 23 HE1 TYR 23 -11.346 2.357 -0.739 160 HE2 TYR 23 HE2 TYR 23 -7.189 1.458 -1.082 161 HH TYR 23 HH TYR 23 -8.924 1.563 -2.907 162 H GLN 24 HN GLN 24 -7.698 -2.602 4.076 163 HA GLN 24 HA GLN 24 -7.404 -1.693 6.857 164 1HB GLN 24 HB1 GLN 24 -8.353 -4.060 5.989 165 2HB GLN 24 HB2 GLN 24 -6.644 -4.459 6.105 166 1HG GLN 24 HG2 GLN 24 -6.587 -4.078 8.402 167 2HG GLN 24 HG1 GLN 24 -8.089 -3.156 8.379 168 1HE2 GLN 24 HE2 GLN 24 -9.750 -4.786 6.974 169 2HE2 GLN 24 HE2 GLN 24 -10.003 -6.261 7.837 170 H VAL 25 HN VAL 25 -5.662 -0.238 6.171 171 HA VAL 25 HA VAL 25 -3.204 -1.387 5.198 172 HB VAL 25 HB VAL 25 -3.796 1.373 6.271 173 1HG1 VAL 25 HG2 VAL 25 -1.496 1.395 4.650 174 2HG1 VAL 25 HG2 VAL 25 -1.288 0.073 5.798 175 3HG1 VAL 25 HG2 VAL 25 -1.602 1.707 6.382 176 1HG2 VAL 25 HG1 VAL 25 -4.588 0.260 3.903 177 2HG2 VAL 25 HG1 VAL 25 -3.075 1.047 3.457 178 3HG2 VAL 25 HG1 VAL 25 -4.372 1.986 4.196 179 H THR 26 HN THR 26 -1.434 -2.009 6.367 180 HA THR 26 HA THR 26 -1.793 -2.040 9.275 181 HB THR 26 HB THR 26 0.443 -3.480 7.916 182 HG1 THR 26 HG1 THR 26 -1.977 -4.816 8.084 183 1HG2 THR 26 HG2 THR 26 0.611 -4.197 10.016 184 2HG2 THR 26 HG2 THR 26 -0.762 -5.225 9.608 185 3HG2 THR 26 HG2 THR 26 -1.026 -3.687 10.429 186 H LYS 27 HN LYS 27 0.507 -0.941 6.826 187 HA LYS 27 HA LYS 27 1.723 0.780 8.838 188 1HB LYS 27 HB2 LYS 27 2.948 -1.603 7.942 189 2HB LYS 27 HB1 LYS 27 3.829 -0.271 7.205 190 1HG LYS 27 HG2 LYS 27 3.446 0.477 9.867 191 2HG LYS 27 HG1 LYS 27 3.890 -1.231 9.909 192 1HD LYS 27 HD2 LYS 27 5.431 0.701 8.219 193 2HD LYS 27 HD1 LYS 27 5.761 0.559 9.947 194 1HE LYS 27 HE2 LYS 27 6.524 -1.612 9.759 195 2HE LYS 27 HE1 LYS 27 5.644 -1.901 8.259 196 1HZ LYS 27 HZ1 LYS 27 8.266 -1.394 8.391 197 2HZ LYS 27 HZ2 LYS 27 7.667 0.162 8.108 198 3HZ LYS 27 HZ3 LYS 27 7.312 -1.090 7.027 199 H THR 28 HN THR 28 3.177 2.397 7.906 200 HA THR 28 HA THR 28 2.679 2.990 5.082 201 HB THR 28 HB THR 28 2.328 4.984 7.331 202 HG1 THR 28 HG1 THR 28 0.157 4.967 6.661 203 1HG2 THR 28 HG2 THR 28 1.433 6.454 5.535 204 2HG2 THR 28 HG2 THR 28 2.087 5.316 4.358 205 3HG2 THR 28 HG2 THR 28 3.171 6.167 5.457 206 H LEU 29 HN LEU 29 4.509 3.485 4.056 207 HA LEU 29 HA LEU 29 6.840 4.262 5.670 208 1HB LEU 29 HB1 LEU 29 6.841 2.127 4.244 209 2HB LEU 29 HB2 LEU 29 6.920 3.196 2.858 210 HG LEU 29 HG LEU 29 8.944 3.746 4.911 211 1HD1 LEU 29 HD1 LEU 29 8.493 1.031 4.077 212 2HD1 LEU 29 HD1 LEU 29 9.666 1.671 5.228 213 3HD1 LEU 29 HD1 LEU 29 10.061 1.605 3.510 214 1HD2 LEU 29 HD2 LEU 29 9.174 4.906 2.901 215 2HD2 LEU 29 HD2 LEU 29 8.823 3.478 1.928 216 3HD2 LEU 29 HD2 LEU 29 10.362 3.608 2.778 217 H ASP 30 HN ASP 30 7.467 6.312 5.529 218 HA ASP 30 HA ASP 30 7.139 7.731 2.985 219 1HB ASP 30 HB2 ASP 30 6.588 9.766 4.633 220 2HB ASP 30 HB1 ASP 30 5.330 8.728 3.966 221 H VAL 31 HN VAL 31 9.120 8.284 2.393 222 HA VAL 31 HA VAL 31 10.884 9.538 4.386 223 HB VAL 31 HB VAL 31 12.016 7.727 2.272 224 1HG1 VAL 31 HG2 VAL 31 13.015 9.107 4.719 225 2HG1 VAL 31 HG2 VAL 31 13.736 8.996 3.113 226 3HG1 VAL 31 HG2 VAL 31 13.785 7.608 4.200 227 1HG2 VAL 31 HG1 VAL 31 10.508 6.339 3.571 228 2HG2 VAL 31 HG1 VAL 31 11.216 6.936 5.072 229 3HG2 VAL 31 HG1 VAL 31 12.182 5.954 3.970 230 H ARG 32 HN ARG 32 9.806 11.396 3.225 231 HA ARG 32 HA ARG 32 10.154 12.059 0.580 232 1HB ARG 32 HB1 ARG 32 8.857 13.323 2.351 233 2HB ARG 32 HB2 ARG 32 10.385 14.048 2.832 234 1HG ARG 32 HG2 ARG 32 10.004 15.633 1.335 235 2HG ARG 32 HG1 ARG 32 10.258 14.421 0.078 236 1HD ARG 32 HD1 ARG 32 8.173 14.947 -0.556 237 2HD ARG 32 HD2 ARG 32 7.684 13.920 0.791 238 HE ARG 32 HE ARG 32 8.107 16.534 1.730 239 1HH1 ARG 32 HH2 ARG 32 5.891 14.721 -0.258 240 2HH1 ARG 32 HH2 ARG 32 4.542 15.751 0.085 241 1HH2 ARG 32 HH1 ARG 32 6.335 17.893 2.187 242 2HH2 ARG 32 HH1 ARG 32 4.794 17.553 1.474 243 H GLY 33 HN GLY 33 12.041 13.955 2.837 244 1HA GLY 33 HA2 GLY 33 14.198 14.182 0.968 245 2HA GLY 33 HA1 GLY 33 14.152 14.854 2.591 246 H GLU 34 HN GLU 34 16.360 14.230 2.827 247 HA GLU 34 HA GLU 34 16.739 11.337 3.200 248 1HB GLU 34 HB2 GLU 34 18.744 11.481 2.210 249 2HB GLU 34 HB1 GLU 34 18.235 13.069 1.660 250 1HG GLU 34 HG2 GLU 34 19.383 14.146 3.438 251 2HG GLU 34 HG1 GLU 34 19.697 12.609 4.244 252 H VAL 35 HN VAL 35 17.191 10.572 5.165 253 HA VAL 35 HA VAL 35 18.020 12.428 7.266 254 HB VAL 35 HB VAL 35 16.459 11.324 8.857 255 1HG1 VAL 35 HG2 VAL 35 15.889 13.497 8.025 256 2HG1 VAL 35 HG2 VAL 35 14.428 12.510 8.022 257 3HG1 VAL 35 HG2 VAL 35 15.289 12.816 6.513 258 1HG2 VAL 35 HG1 VAL 35 15.505 9.443 8.181 259 2HG2 VAL 35 HG1 VAL 35 15.993 9.740 6.513 260 3HG2 VAL 35 HG1 VAL 35 14.483 10.418 7.123 261 H CYS 36 HN CYS 36 17.795 10.461 9.351 262 HA CYS 36 HA CYS 36 20.285 9.232 9.232 263 1HB CYS 36 HB1 CYS 36 17.833 8.815 10.904 264 2HB CYS 36 HB2 CYS 36 19.168 7.675 11.039 265 HG CYS 36 HG CYS 36 20.322 10.364 11.420 266 HA PRO 37 HA PRO 37 19.659 5.580 6.826 267 1HB PRO 37 HB2 PRO 37 21.323 3.796 7.955 268 2HB PRO 37 HB1 PRO 37 21.923 5.228 7.110 269 1HG PRO 37 HG2 PRO 37 21.590 4.762 10.050 270 2HG PRO 37 HG1 PRO 37 22.944 5.511 9.185 271 1HD PRO 37 HD1 PRO 37 20.994 6.942 10.452 272 2HD PRO 37 HD2 PRO 37 21.888 7.544 9.043 273 H VAL 38 HN VAL 38 18.121 5.901 9.588 274 HA VAL 38 HA VAL 38 17.608 3.280 10.497 275 HB VAL 38 HB VAL 38 15.667 5.573 10.711 276 1HG1 VAL 38 HG2 VAL 38 15.605 4.250 13.068 277 2HG1 VAL 38 HG2 VAL 38 15.975 2.928 11.960 278 3HG1 VAL 38 HG2 VAL 38 14.530 3.908 11.713 279 1HG2 VAL 38 HG1 VAL 38 17.468 6.659 11.578 280 2HG2 VAL 38 HG1 VAL 38 18.301 5.165 12.010 281 3HG2 VAL 38 HG1 VAL 38 16.978 5.760 13.015 282 HA PRO 39 HA PRO 39 13.599 3.465 7.723 283 1HB PRO 39 HB1 PRO 39 13.761 5.152 5.571 284 2HB PRO 39 HB2 PRO 39 12.978 5.572 7.098 285 1HG PRO 39 HG2 PRO 39 15.722 6.257 6.120 286 2HG PRO 39 HG1 PRO 39 14.550 7.277 6.975 287 1HD PRO 39 HD2 PRO 39 16.637 6.152 8.241 288 2HD PRO 39 HD1 PRO 39 15.064 6.357 9.035 289 H ASP 40 HN ASP 40 16.843 3.881 6.507 290 HA ASP 40 HA ASP 40 16.581 2.590 4.026 291 1HB ASP 40 HB2 ASP 40 18.590 3.909 5.059 292 2HB ASP 40 HB1 ASP 40 19.073 2.334 5.680 293 H VAL 41 HN VAL 41 18.032 1.223 6.987 294 HA VAL 41 HA VAL 41 17.863 -1.456 6.085 295 HB VAL 41 HB VAL 41 17.950 -0.682 8.989 296 1HG1 VAL 41 HG2 VAL 41 18.951 -2.998 7.358 297 2HG1 VAL 41 HG2 VAL 41 17.821 -3.014 8.711 298 3HG1 VAL 41 HG2 VAL 41 19.529 -2.678 8.993 299 1HG2 VAL 41 HG1 VAL 41 20.485 -0.681 8.633 300 2HG2 VAL 41 HG1 VAL 41 19.589 0.749 8.123 301 3HG2 VAL 41 HG1 VAL 41 20.117 -0.435 6.926 302 H GLU 42 HN GLU 42 15.572 0.691 7.420 303 HA GLU 42 HA GLU 42 13.842 -1.140 8.699 304 1HB GLU 42 HB1 GLU 42 13.733 1.311 9.015 305 2HB GLU 42 HB2 GLU 42 13.159 1.486 7.362 306 1HG GLU 42 HG2 GLU 42 11.124 0.377 7.860 307 2HG GLU 42 HG1 GLU 42 11.715 -0.131 9.442 308 H THR 43 HN THR 43 13.778 0.263 5.422 309 HA THR 43 HA THR 43 11.529 -1.192 4.548 310 HB THR 43 HB THR 43 12.698 0.879 3.492 311 HG1 THR 43 HG1 THR 43 11.067 -0.976 2.545 312 1HG2 THR 43 HG2 THR 43 14.562 -1.175 2.740 313 2HG2 THR 43 HG2 THR 43 14.656 0.572 2.522 314 3HG2 THR 43 HG2 THR 43 13.833 -0.423 1.321 315 H LYS 44 HN LYS 44 14.948 -1.933 4.648 316 HA LYS 44 HA LYS 44 14.976 -4.172 2.958 317 1HB LYS 44 HB2 LYS 44 17.065 -3.260 3.652 318 2HB LYS 44 HB1 LYS 44 16.651 -3.413 5.353 319 1HG LYS 44 HG2 LYS 44 17.791 -5.315 5.353 320 2HG LYS 44 HG1 LYS 44 16.495 -6.005 4.372 321 1HD LYS 44 HD1 LYS 44 17.649 -5.516 2.353 322 2HD LYS 44 HD2 LYS 44 18.838 -4.523 3.199 323 1HE LYS 44 HE2 LYS 44 19.956 -6.341 4.050 324 2HE LYS 44 HE1 LYS 44 18.534 -7.382 3.978 325 1HZ LYS 44 HZ1 LYS 44 20.497 -7.628 2.276 326 2HZ LYS 44 HZ2 LYS 44 19.653 -6.415 1.454 327 3HZ LYS 44 HZ3 LYS 44 18.894 -7.885 1.806 328 H ARG 45 HN ARG 45 14.214 -3.815 6.382 329 HA ARG 45 HA ARG 45 13.909 -6.573 6.946 330 1HB ARG 45 HB1 ARG 45 14.235 -4.744 8.624 331 2HB ARG 45 HB2 ARG 45 12.560 -4.280 8.347 332 1HG ARG 45 HG1 ARG 45 12.226 -5.642 10.121 333 2HG ARG 45 HG2 ARG 45 12.198 -6.869 8.850 334 1HD ARG 45 HD2 ARG 45 13.749 -7.887 10.107 335 2HD ARG 45 HD1 ARG 45 14.850 -6.729 9.360 336 HE ARG 45 HE ARG 45 13.761 -5.532 11.632 337 1HH1 ARG 45 HH2 ARG 45 15.862 -8.187 10.808 338 2HH1 ARG 45 HH2 ARG 45 16.757 -8.107 12.288 339 1HH2 ARG 45 HH1 ARG 45 14.933 -5.420 13.583 340 2HH2 ARG 45 HH1 ARG 45 16.229 -6.534 13.866 341 H ALA 46 HN ALA 46 11.813 -4.143 5.599 342 HA ALA 46 HA ALA 46 9.321 -5.316 6.014 343 1HB ALA 46 HB1 ALA 46 8.745 -3.435 4.994 344 2HB ALA 46 HB2 ALA 46 9.245 -4.147 3.460 345 3HB ALA 46 HB3 ALA 46 10.393 -3.204 4.408 346 H LEU 47 HN LEU 47 11.405 -5.608 3.127 347 HA LEU 47 HA LEU 47 9.851 -7.527 1.816 348 1HB LEU 47 HB2 LEU 47 12.820 -7.005 1.657 349 2HB LEU 47 HB1 LEU 47 11.945 -8.043 0.551 350 HG LEU 47 HG LEU 47 12.078 -6.106 -0.670 351 1HD1 LEU 47 HD2 LEU 47 9.921 -5.003 -0.683 352 2HD1 LEU 47 HD2 LEU 47 9.561 -5.641 0.921 353 3HD1 LEU 47 HD2 LEU 47 9.719 -6.739 -0.449 354 1HD2 LEU 47 HD1 LEU 47 11.318 -4.137 1.363 355 2HD2 LEU 47 HD1 LEU 47 12.581 -4.079 0.133 356 3HD2 LEU 47 HD1 LEU 47 12.863 -4.940 1.647 357 H GLN 48 HN GLN 48 12.940 -8.087 3.507 358 HA GLN 48 HA GLN 48 12.868 -10.857 3.382 359 1HB GLN 48 HB1 GLN 48 14.393 -8.824 4.841 360 2HB GLN 48 HB2 GLN 48 14.291 -10.367 5.678 361 1HG GLN 48 HG1 GLN 48 15.306 -11.516 3.884 362 2HG GLN 48 HG2 GLN 48 15.133 -10.129 2.808 363 1HE2 GLN 48 HE2 GLN 48 17.530 -11.581 3.440 364 2HE2 GLN 48 HE2 GLN 48 18.627 -10.455 4.157 365 H ASN 49 HN ASN 49 11.397 -8.700 5.720 366 HA ASN 49 HA ASN 49 10.249 -11.059 7.051 367 1HB ASN 49 HB2 ASN 49 11.884 -9.041 8.204 368 2HB ASN 49 HB1 ASN 49 10.253 -8.813 8.831 369 1HD2 ASN 49 HD2 ASN 49 9.916 -9.818 10.660 370 2HD2 ASN 49 HD2 ASN 49 10.604 -11.328 11.142 371 H MET 50 HN MET 50 8.669 -10.513 5.213 372 HA MET 50 HA MET 50 6.830 -8.359 5.961 373 1HB MET 50 HB1 MET 50 5.977 -8.429 3.784 374 2HB MET 50 HB2 MET 50 7.695 -8.725 3.563 375 1HG MET 50 HG1 MET 50 5.801 -11.017 3.821 376 2HG MET 50 HG2 MET 50 5.964 -10.162 2.288 377 1HE MET 50 HE1 MET 50 7.717 -12.480 4.930 378 2HE MET 50 HE2 MET 50 8.483 -13.517 3.726 379 3HE MET 50 HE3 MET 50 6.739 -13.256 3.684 380 H LYS 51 HN LYS 51 4.516 -8.784 5.993 381 HA LYS 51 HA LYS 51 3.953 -11.416 7.145 382 1HB LYS 51 HB2 LYS 51 3.355 -8.921 8.076 383 2HB LYS 51 HB1 LYS 51 1.853 -9.366 7.280 384 1HG LYS 51 HG1 LYS 51 1.304 -10.804 8.890 385 2HG LYS 51 HG2 LYS 51 2.927 -11.496 8.946 386 1HD LYS 51 HD2 LYS 51 2.633 -8.772 10.047 387 2HD LYS 51 HD1 LYS 51 1.854 -10.069 10.956 388 1HE LYS 51 HE2 LYS 51 4.756 -9.954 10.144 389 2HE LYS 51 HE1 LYS 51 4.117 -9.680 11.764 390 1HZ LYS 51 HZ1 LYS 51 3.107 -12.076 11.258 391 2HZ LYS 51 HZ2 LYS 51 4.619 -11.851 11.982 392 3HZ LYS 51 HZ3 LYS 51 4.514 -12.175 10.325 393 HA PRO 52 HA PRO 52 1.760 -12.996 3.691 394 1HB PRO 52 HB2 PRO 52 -0.362 -13.669 5.685 395 2HB PRO 52 HB1 PRO 52 0.389 -14.690 4.454 396 1HG PRO 52 HG1 PRO 52 1.104 -14.916 7.002 397 2HG PRO 52 HG2 PRO 52 2.319 -15.010 5.714 398 1HD PRO 52 HD2 PRO 52 1.732 -12.786 7.609 399 2HD PRO 52 HD1 PRO 52 3.281 -13.296 6.911 400 H GLY 53 HN GLY 53 -0.361 -11.283 6.012 401 1HA GLY 53 HA1 GLY 53 -1.970 -10.366 3.723 402 2HA GLY 53 HA2 GLY 53 -2.535 -10.449 5.382 403 H GLU 54 HN GLU 54 0.235 -8.898 3.710 404 HA GLU 54 HA GLU 54 -0.188 -6.539 5.378 405 1HB GLU 54 HB2 GLU 54 2.009 -7.261 3.444 406 2HB GLU 54 HB1 GLU 54 1.900 -5.694 4.242 407 1HG GLU 54 HG1 GLU 54 2.118 -8.344 5.652 408 2HG GLU 54 HG2 GLU 54 3.452 -7.229 5.360 409 H ILE 55 HN ILE 55 -0.891 -4.619 4.707 410 HA ILE 55 HA ILE 55 -1.359 -4.137 1.845 411 HB ILE 55 HB ILE 55 -3.401 -3.436 3.953 412 1HG1 ILE 55 HG1 ILE 55 -4.539 -5.390 2.336 413 2HG1 ILE 55 HG1 ILE 55 -2.907 -5.992 2.616 414 1HG2 ILE 55 HG2 ILE 55 -3.280 -3.273 0.964 415 2HG2 ILE 55 HG2 ILE 55 -3.726 -2.032 2.135 416 3HG2 ILE 55 HG2 ILE 55 -4.833 -3.363 1.796 417 1HD1 ILE 55 HD1 ILE 55 -3.274 -5.754 5.039 418 2HD1 ILE 55 HD1 ILE 55 -4.396 -6.879 4.275 419 3HD1 ILE 55 HD1 ILE 55 -4.934 -5.257 4.712 420 H LEU 56 HN LEU 56 0.592 -2.760 2.179 421 HA LEU 56 HA LEU 56 0.010 -0.391 3.827 422 1HB LEU 56 HB2 LEU 56 2.620 -1.681 3.033 423 2HB LEU 56 HB1 LEU 56 2.515 -0.145 3.864 424 HG LEU 56 HG LEU 56 2.274 -1.121 5.868 425 1HD1 LEU 56 HD1 LEU 56 -0.062 -1.782 5.343 426 2HD1 LEU 56 HD1 LEU 56 0.775 -2.895 6.425 427 3HD1 LEU 56 HD1 LEU 56 0.559 -3.313 4.726 428 1HD2 LEU 56 HD2 LEU 56 2.990 -3.560 5.900 429 2HD2 LEU 56 HD2 LEU 56 4.110 -2.382 5.209 430 3HD2 LEU 56 HD2 LEU 56 3.133 -3.403 4.146 431 H GLU 57 HN GLU 57 1.508 1.508 3.161 432 HA GLU 57 HA GLU 57 1.463 1.837 0.237 433 1HB GLU 57 HB2 GLU 57 0.465 3.990 0.384 434 2HB GLU 57 HB1 GLU 57 -0.529 2.919 1.362 435 1HG GLU 57 HG1 GLU 57 1.044 3.785 3.291 436 2HG GLU 57 HG2 GLU 57 1.248 5.147 2.190 437 H VAL 58 HN VAL 58 2.809 3.675 -0.502 438 HA VAL 58 HA VAL 58 4.983 4.352 1.351 439 HB VAL 58 HB VAL 58 5.539 3.585 -1.508 440 1HG1 VAL 58 HG2 VAL 58 7.072 4.696 0.648 441 2HG1 VAL 58 HG2 VAL 58 7.543 4.411 -1.027 442 3HG1 VAL 58 HG2 VAL 58 7.738 3.133 0.173 443 1HG2 VAL 58 HG1 VAL 58 5.351 1.428 -1.026 444 2HG2 VAL 58 HG1 VAL 58 4.817 1.828 0.606 445 3HG2 VAL 58 HG1 VAL 58 6.534 1.613 0.269 446 H TRP 59 HN TRP 59 5.805 6.391 1.125 447 HA TRP 59 HA TRP 59 4.768 8.023 -1.095 448 1HB TRP 59 HB2 TRP 59 3.611 8.405 1.154 449 2HB TRP 59 HB1 TRP 59 5.140 9.079 1.709 450 HD1 TRP 59 HD1 TRP 59 6.042 11.266 0.185 451 HE1 TRP 59 HE1 TRP 59 4.645 13.193 -0.793 452 HE3 TRP 59 HE3 TRP 59 1.435 9.052 0.270 453 HZ2 TRP 59 HZ2 TRP 59 1.945 13.707 -1.443 454 HZ3 TRP 59 HZ3 TRP 59 -0.503 10.329 -0.547 455 HH2 TRP 59 HH2 TRP 59 -0.251 12.609 -1.385 456 H ILE 60 HN ILE 60 6.535 8.344 -2.311 457 HA ILE 60 HA ILE 60 8.707 9.880 -1.207 458 HB ILE 60 HB ILE 60 10.263 8.046 -2.472 459 1HG1 ILE 60 HG1 ILE 60 8.180 6.484 -0.924 460 2HG1 ILE 60 HG1 ILE 60 8.382 6.458 -2.674 461 1HG2 ILE 60 HG2 ILE 60 9.781 7.582 0.413 462 2HG2 ILE 60 HG2 ILE 60 10.233 9.212 -0.085 463 3HG2 ILE 60 HG2 ILE 60 11.291 7.850 -0.457 464 1HD1 ILE 60 HD1 ILE 60 10.106 5.037 -2.576 465 2HD1 ILE 60 HD1 ILE 60 9.465 4.661 -0.976 466 3HD1 ILE 60 HD1 ILE 60 10.797 5.806 -1.147 467 H ASP 61 HN ASP 61 10.528 9.930 -3.082 468 HA ASP 61 HA ASP 61 9.068 10.797 -5.464 469 1HB ASP 61 HB2 ASP 61 11.218 11.945 -6.043 470 2HB ASP 61 HB1 ASP 61 10.510 12.485 -4.524 471 H TYR 62 HN TYR 62 10.503 8.076 -4.422 472 HA TYR 62 HA TYR 62 11.162 7.237 -7.154 473 1HB TYR 62 HB2 TYR 62 13.153 7.746 -5.387 474 2HB TYR 62 HB1 TYR 62 12.827 6.057 -5.010 475 HD1 TYR 62 HD1 TYR 62 13.423 4.309 -6.534 476 HD2 TYR 62 HD2 TYR 62 13.919 8.386 -7.647 477 HE1 TYR 62 HE1 TYR 62 14.779 3.612 -8.464 478 HE2 TYR 62 HE2 TYR 62 15.277 7.700 -9.579 479 HH TYR 62 HH TYR 62 15.406 5.445 -11.030 480 HA PRO 63 HA PRO 63 8.364 3.982 -5.965 481 1HB PRO 63 HB2 PRO 63 8.810 2.322 -8.075 482 2HB PRO 63 HB1 PRO 63 7.818 3.780 -8.183 483 1HG PRO 63 HG1 PRO 63 10.677 3.370 -8.978 484 2HG PRO 63 HG2 PRO 63 9.386 4.221 -9.848 485 1HD PRO 63 HD2 PRO 63 11.259 5.534 -8.416 486 2HD PRO 63 HD1 PRO 63 9.587 6.119 -8.541 487 H MET 64 HN MET 64 9.276 3.084 -4.138 488 HA MET 64 HA MET 64 11.685 1.591 -4.131 489 1HB MET 64 HB1 MET 64 9.598 2.305 -2.214 490 2HB MET 64 HB2 MET 64 10.268 0.703 -1.934 491 1HG MET 64 HG1 MET 64 12.551 1.977 -2.221 492 2HG MET 64 HG2 MET 64 11.568 3.367 -1.760 493 1HE MET 64 HE1 MET 64 12.425 4.115 -0.010 494 2HE MET 64 HE2 MET 64 13.321 3.215 1.214 495 3HE MET 64 HE3 MET 64 11.646 3.676 1.512 496 H SER 65 HN SER 65 8.590 0.856 -5.242 497 HA SER 65 HA SER 65 8.345 -1.872 -4.653 498 1HB SER 65 HB1 SER 65 6.663 -1.938 -6.288 499 2HB SER 65 HB2 SER 65 6.655 -0.248 -5.783 500 HG SER 65 HG SER 65 8.343 -0.197 -7.662 501 H LYS 66 HN LYS 66 10.665 -0.265 -6.457 502 HA LYS 66 HA LYS 66 11.239 -1.951 -8.582 503 1HB LYS 66 HB1 LYS 66 13.627 -1.129 -8.252 504 2HB LYS 66 HB2 LYS 66 12.400 0.112 -8.457 505 1HG LYS 66 HG1 LYS 66 12.350 0.457 -6.032 506 2HG LYS 66 HG2 LYS 66 13.601 -0.773 -5.840 507 1HD LYS 66 HD1 LYS 66 14.041 1.584 -7.636 508 2HD LYS 66 HD2 LYS 66 14.288 1.722 -5.893 509 1HE LYS 66 HE1 LYS 66 15.631 -0.578 -6.450 510 2HE LYS 66 HE2 LYS 66 15.896 0.347 -7.928 511 1HZ LYS 66 HZ1 LYS 66 16.878 2.098 -6.709 512 2HZ LYS 66 HZ2 LYS 66 17.591 0.673 -6.141 513 3HZ LYS 66 HZ3 LYS 66 16.400 1.448 -5.224 514 H GLU 67 HN GLU 67 12.369 -2.140 -5.221 515 HA GLU 67 HA GLU 67 13.717 -4.662 -5.753 516 1HB GLU 67 HB2 GLU 67 13.696 -2.675 -3.573 517 2HB GLU 67 HB1 GLU 67 13.841 -4.348 -3.049 518 1HG GLU 67 HG2 GLU 67 15.996 -4.293 -3.515 519 2HG GLU 67 HG1 GLU 67 15.614 -4.007 -5.213 520 H ARG 68 HN ARG 68 10.745 -3.449 -4.482 521 HA ARG 68 HA ARG 68 9.938 -5.658 -2.947 522 1HB ARG 68 HB1 ARG 68 8.576 -3.367 -4.261 523 2HB ARG 68 HB2 ARG 68 7.572 -4.736 -3.807 524 1HG ARG 68 HG2 ARG 68 7.483 -3.231 -2.003 525 2HG ARG 68 HG1 ARG 68 8.556 -4.536 -1.490 526 1HD ARG 68 HD1 ARG 68 10.183 -3.078 -1.117 527 2HD ARG 68 HD2 ARG 68 10.116 -2.550 -2.797 528 HE ARG 68 HE ARG 68 8.655 -0.802 -2.161 529 1HH1 ARG 68 HH1 ARG 68 9.817 -2.677 0.538 530 2HH1 ARG 68 HH1 ARG 68 9.408 -1.473 1.715 531 1HH2 ARG 68 HH2 ARG 68 8.115 0.787 -0.616 532 2HH2 ARG 68 HH2 ARG 68 8.442 0.495 1.059 533 H ILE 69 HN ILE 69 9.753 -5.020 -6.414 534 HA ILE 69 HA ILE 69 7.982 -7.067 -7.112 535 HB ILE 69 HB ILE 69 10.224 -5.884 -8.743 536 1HG1 ILE 69 HG1 ILE 69 7.333 -5.328 -9.222 537 2HG1 ILE 69 HG1 ILE 69 8.093 -4.560 -7.832 538 1HG2 ILE 69 HG2 ILE 69 9.706 -7.977 -9.733 539 2HG2 ILE 69 HG2 ILE 69 8.882 -6.746 -10.688 540 3HG2 ILE 69 HG2 ILE 69 7.974 -7.719 -9.531 541 1HD1 ILE 69 HD1 ILE 69 9.594 -3.367 -9.174 542 2HD1 ILE 69 HD1 ILE 69 8.040 -3.252 -10.001 543 3HD1 ILE 69 HD1 ILE 69 9.267 -4.377 -10.583 544 HA PRO 70 HA PRO 70 11.963 -9.862 -8.012 545 1HB PRO 70 HB1 PRO 70 13.686 -8.657 -5.896 546 2HB PRO 70 HB2 PRO 70 14.140 -9.364 -7.451 547 1HG PRO 70 HG1 PRO 70 14.117 -6.726 -7.127 548 2HG PRO 70 HG2 PRO 70 13.545 -7.457 -8.637 549 1HD PRO 70 HD1 PRO 70 11.977 -6.287 -6.385 550 2HD PRO 70 HD2 PRO 70 11.652 -6.244 -8.128 551 H GLU 71 HN GLU 71 11.155 -8.562 -4.825 552 HA GLU 71 HA GLU 71 11.636 -10.999 -3.423 553 1HB GLU 71 HB1 GLU 71 10.327 -8.392 -2.780 554 2HB GLU 71 HB2 GLU 71 10.046 -9.761 -1.712 555 1HG GLU 71 HG2 GLU 71 12.796 -8.835 -2.485 556 2HG GLU 71 HG1 GLU 71 11.930 -8.211 -1.081 557 H THR 72 HN THR 72 8.543 -9.324 -4.051 558 HA THR 72 HA THR 72 6.901 -11.434 -3.301 559 HB THR 72 HB THR 72 5.721 -9.896 -5.456 560 HG1 THR 72 HG1 THR 72 6.360 -7.960 -4.975 561 1HG2 THR 72 HG2 THR 72 5.171 -9.674 -2.518 562 2HG2 THR 72 HG2 THR 72 4.536 -10.973 -3.528 563 3HG2 THR 72 HG2 THR 72 4.098 -9.298 -3.866 564 H VAL 73 HN VAL 73 8.598 -10.900 -6.305 565 HA VAL 73 HA VAL 73 7.043 -12.767 -7.814 566 HB VAL 73 HB VAL 73 8.437 -10.895 -8.803 567 1HG1 VAL 73 HG1 VAL 73 10.776 -12.486 -9.236 568 2HG1 VAL 73 HG1 VAL 73 10.516 -12.271 -7.505 569 3HG1 VAL 73 HG1 VAL 73 10.643 -10.862 -8.560 570 1HG2 VAL 73 HG2 VAL 73 7.752 -12.061 -10.576 571 2HG2 VAL 73 HG2 VAL 73 8.000 -13.602 -9.757 572 3HG2 VAL 73 HG2 VAL 73 9.350 -12.807 -10.566 573 H LYS 74 HN LYS 74 9.834 -12.963 -5.740 574 HA LYS 74 HA LYS 74 10.823 -15.479 -6.522 575 1HB LYS 74 HB2 LYS 74 11.844 -13.806 -4.862 576 2HB LYS 74 HB1 LYS 74 10.748 -14.493 -3.672 577 1HG LYS 74 HG1 LYS 74 12.685 -15.680 -3.304 578 2HG LYS 74 HG2 LYS 74 11.790 -16.755 -4.380 579 1HD LYS 74 HD2 LYS 74 13.767 -16.791 -5.486 580 2HD LYS 74 HD1 LYS 74 13.114 -15.319 -6.210 581 1HE LYS 74 HE1 LYS 74 15.179 -14.569 -5.580 582 2HE LYS 74 HE2 LYS 74 14.255 -14.186 -4.128 583 1HZ LYS 74 HZ1 LYS 74 15.721 -16.739 -4.431 584 2HZ LYS 74 HZ2 LYS 74 15.123 -16.037 -3.012 585 3HZ LYS 74 HZ3 LYS 74 16.453 -15.351 -3.799 586 H LYS 75 HN LYS 75 8.273 -14.481 -4.306 587 HA LYS 75 HA LYS 75 7.497 -17.253 -3.815 588 1HB LYS 75 HB1 LYS 75 5.910 -14.909 -2.841 589 2HB LYS 75 HB2 LYS 75 6.168 -16.474 -2.079 590 1HG LYS 75 HG2 LYS 75 7.756 -15.592 -0.823 591 2HG LYS 75 HG1 LYS 75 8.687 -15.207 -2.272 592 1HD LYS 75 HD2 LYS 75 8.404 -13.165 -1.108 593 2HD LYS 75 HD1 LYS 75 7.280 -13.117 -2.469 594 1HE LYS 75 HE2 LYS 75 6.220 -12.299 -0.433 595 2HE LYS 75 HE1 LYS 75 5.454 -13.785 -0.993 596 1HZ LYS 75 HZ1 LYS 75 6.936 -13.276 1.437 597 2HZ LYS 75 HZ2 LYS 75 7.312 -14.740 0.677 598 3HZ LYS 75 HZ3 LYS 75 5.716 -14.406 1.128 599 H LEU 76 HN LEU 76 5.465 -14.418 -4.461 600 HA LEU 76 HA LEU 76 3.872 -16.044 -6.312 601 1HB LEU 76 HB1 LEU 76 2.362 -13.876 -6.083 602 2HB LEU 76 HB2 LEU 76 2.298 -15.184 -4.917 603 HG LEU 76 HG LEU 76 4.276 -13.127 -4.253 604 1HD1 LEU 76 HD2 LEU 76 2.004 -11.859 -3.390 605 2HD1 LEU 76 HD2 LEU 76 1.586 -12.336 -5.036 606 3HD1 LEU 76 HD2 LEU 76 3.021 -11.351 -4.739 607 1HD2 LEU 76 HD1 LEU 76 1.951 -14.321 -2.751 608 2HD2 LEU 76 HD1 LEU 76 3.250 -13.348 -2.060 609 3HD2 LEU 76 HD1 LEU 76 3.604 -14.935 -2.743 610 H GLY 77 HN GLY 77 3.776 -12.576 -6.409 611 1HA GLY 77 HA2 GLY 77 5.469 -12.471 -8.791 612 2HA GLY 77 HA1 GLY 77 3.784 -12.002 -8.972 613 H HIS 78 HN HIS 78 3.009 -10.205 -7.631 614 HA HIS 78 HA HIS 78 5.066 -8.480 -6.516 615 1HB HIS 78 HB1 HIS 78 3.720 -6.591 -7.909 616 2HB HIS 78 HB2 HIS 78 5.208 -7.344 -8.473 617 HD2 HIS 78 HD2 HIS 78 4.842 -7.695 -11.100 618 HE1 HIS 78 HE1 HIS 78 0.925 -9.288 -10.898 619 HE2 HIS 78 HE2 HIS 78 2.864 -8.720 -12.431 620 H GLU 79 HN GLU 79 4.167 -6.673 -5.281 621 HA GLU 79 HA GLU 79 1.553 -7.356 -4.168 622 1HB GLU 79 HB1 GLU 79 2.810 -5.434 -2.552 623 2HB GLU 79 HB2 GLU 79 2.637 -7.151 -2.216 624 1HG GLU 79 HG1 GLU 79 4.783 -7.376 -3.667 625 2HG GLU 79 HG2 GLU 79 4.980 -5.663 -3.304 626 H VAL 80 HN VAL 80 1.139 -6.175 -6.447 627 HA VAL 80 HA VAL 80 1.036 -3.277 -6.056 628 HB VAL 80 HB VAL 80 -0.052 -4.184 -8.581 629 1HG1 VAL 80 HG1 VAL 80 1.880 -2.711 -9.384 630 2HG1 VAL 80 HG1 VAL 80 2.170 -2.385 -7.676 631 3HG1 VAL 80 HG1 VAL 80 0.623 -1.954 -8.405 632 1HG2 VAL 80 HG2 VAL 80 1.553 -6.079 -8.020 633 2HG2 VAL 80 HG2 VAL 80 2.841 -4.885 -8.178 634 3HG2 VAL 80 HG2 VAL 80 1.804 -5.249 -9.556 635 H LEU 81 HN LEU 81 -0.757 -2.274 -5.480 636 HA LEU 81 HA LEU 81 -3.336 -3.525 -6.077 637 1HB LEU 81 HB2 LEU 81 -4.181 -3.200 -3.916 638 2HB LEU 81 HB1 LEU 81 -2.588 -3.891 -3.679 639 HG LEU 81 HG LEU 81 -2.128 -1.155 -3.631 640 1HD1 LEU 81 HD1 LEU 81 -4.784 -1.817 -2.418 641 2HD1 LEU 81 HD1 LEU 81 -4.333 -0.451 -3.440 642 3HD1 LEU 81 HD1 LEU 81 -3.781 -0.520 -1.767 643 1HD2 LEU 81 HD2 LEU 81 -0.969 -2.613 -2.193 644 2HD2 LEU 81 HD2 LEU 81 -2.461 -3.215 -1.470 645 3HD2 LEU 81 HD2 LEU 81 -1.921 -1.567 -1.140 646 H GLU 82 HN GLU 82 -1.532 -0.607 -5.314 647 HA GLU 82 HA GLU 82 -3.339 0.898 -7.013 648 1HB GLU 82 HB2 GLU 82 -3.853 0.883 -4.295 649 2HB GLU 82 HB1 GLU 82 -2.949 2.373 -4.531 650 1HG GLU 82 HG2 GLU 82 -4.968 2.029 -6.566 651 2HG GLU 82 HG1 GLU 82 -5.662 1.966 -4.946 652 H ILE 83 HN ILE 83 -2.461 2.731 -7.881 653 HA ILE 83 HA ILE 83 0.152 3.645 -6.950 654 HB ILE 83 HB ILE 83 -0.328 2.902 -9.840 655 1HG1 ILE 83 HG1 ILE 83 1.828 1.431 -8.922 656 2HG1 ILE 83 HG1 ILE 83 0.701 1.369 -7.570 657 1HG2 ILE 83 HG2 ILE 83 1.221 4.522 -10.091 658 2HG2 ILE 83 HG2 ILE 83 2.329 3.233 -9.620 659 3HG2 ILE 83 HG2 ILE 83 1.776 4.403 -8.421 660 1HD1 ILE 83 HD1 ILE 83 0.379 0.327 -10.345 661 2HD1 ILE 83 HD1 ILE 83 -1.036 0.714 -9.367 662 3HD1 ILE 83 HD1 ILE 83 0.125 -0.487 -8.802 663 H GLU 84 HN GLU 84 0.441 5.821 -7.213 664 HA GLU 84 HA GLU 84 -1.224 7.314 -9.060 665 1HB GLU 84 HB2 GLU 84 -1.985 8.854 -7.196 666 2HB GLU 84 HB1 GLU 84 -2.753 7.273 -7.251 667 1HG GLU 84 HG1 GLU 84 -0.738 6.718 -5.582 668 2HG GLU 84 HG2 GLU 84 -0.942 8.435 -5.234 669 H GLU 85 HN GLU 85 -0.788 9.774 -8.659 670 HA GLU 85 HA GLU 85 2.038 10.180 -7.959 671 1HB GLU 85 HB1 GLU 85 0.981 11.726 -10.261 672 2HB GLU 85 HB2 GLU 85 2.602 11.110 -9.970 673 1HG GLU 85 HG1 GLU 85 0.372 9.228 -10.602 674 2HG GLU 85 HG2 GLU 85 1.179 10.123 -11.889 675 H VAL 86 HN VAL 86 2.582 12.508 -7.681 676 HA VAL 86 HA VAL 86 0.259 14.063 -6.750 677 HB VAL 86 HB VAL 86 2.917 14.210 -5.364 678 1HG1 VAL 86 HG1 VAL 86 1.355 16.008 -4.936 679 2HG1 VAL 86 HG1 VAL 86 1.516 15.003 -3.497 680 3HG1 VAL 86 HG1 VAL 86 0.091 14.848 -4.525 681 1HG2 VAL 86 HG2 VAL 86 1.954 11.833 -5.422 682 2HG2 VAL 86 HG2 VAL 86 0.685 12.466 -4.373 683 3HG2 VAL 86 HG2 VAL 86 2.369 12.516 -3.850 684 H GLY 87 HN GLY 87 3.778 14.553 -7.109 685 1HA GLY 87 HA1 GLY 87 3.156 16.983 -8.673 686 2HA GLY 87 HA2 GLY 87 4.452 16.923 -7.489 687 HA PRO 88 HA PRO 88 6.652 16.348 -11.448 688 1HB PRO 88 HB2 PRO 88 8.952 16.699 -9.612 689 2HB PRO 88 HB1 PRO 88 8.590 17.519 -11.134 690 1HG PRO 88 HG1 PRO 88 8.297 18.770 -8.793 691 2HG PRO 88 HG2 PRO 88 7.161 19.039 -10.128 692 1HD PRO 88 HD2 PRO 88 6.832 17.381 -7.660 693 2HD PRO 88 HD1 PRO 88 5.649 18.408 -8.495 694 H SER 89 HN SER 89 8.873 15.312 -8.934 695 HA SER 89 HA SER 89 8.791 12.607 -10.056 696 1HB SER 89 HB1 SER 89 10.989 12.287 -9.095 697 2HB SER 89 HB2 SER 89 10.980 13.819 -9.968 698 HG SER 89 HG SER 89 11.799 13.567 -7.598 699 H GLU 90 HN GLU 90 7.404 14.235 -7.604 700 HA GLU 90 HA GLU 90 7.664 12.143 -5.590 701 1HB GLU 90 HB2 GLU 90 6.058 13.716 -4.322 702 2HB GLU 90 HB1 GLU 90 7.715 14.247 -4.578 703 1HG GLU 90 HG1 GLU 90 7.100 15.789 -6.210 704 2HG GLU 90 HG2 GLU 90 5.532 15.024 -6.475 705 H TRP 91 HN TRP 91 6.226 10.557 -5.311 706 HA TRP 91 HA TRP 91 3.468 10.913 -6.156 707 1HB TRP 91 HB2 TRP 91 3.778 8.513 -7.285 708 2HB TRP 91 HB1 TRP 91 4.004 10.009 -8.186 709 HD1 TRP 91 HD1 TRP 91 6.271 7.628 -6.102 710 HE1 TRP 91 HE1 TRP 91 8.526 7.427 -7.325 711 HE3 TRP 91 HE3 TRP 91 5.356 10.794 -10.010 712 HZ2 TRP 91 HZ2 TRP 91 9.755 8.474 -9.644 713 HZ3 TRP 91 HZ3 TRP 91 7.123 11.139 -11.688 714 HH2 TRP 91 HH2 TRP 91 9.276 10.002 -11.507 715 H LYS 92 HN LYS 92 2.186 8.850 -5.678 716 HA LYS 92 HA LYS 92 3.196 7.634 -3.192 717 1HB LYS 92 HB2 LYS 92 1.444 9.192 -2.631 718 2HB LYS 92 HB1 LYS 92 0.396 8.540 -3.881 719 1HG LYS 92 HG2 LYS 92 0.550 6.334 -2.578 720 2HG LYS 92 HG1 LYS 92 1.166 7.328 -1.257 721 1HD LYS 92 HD2 LYS 92 -1.038 8.735 -2.087 722 2HD LYS 92 HD1 LYS 92 -1.551 7.059 -2.292 723 1HE LYS 92 HE1 LYS 92 -1.354 6.583 -0.044 724 2HE LYS 92 HE2 LYS 92 -0.191 7.879 0.234 725 1HZ LYS 92 HZ1 LYS 92 -2.650 8.958 -0.643 726 2HZ LYS 92 HZ2 LYS 92 -1.830 9.228 0.812 727 3HZ LYS 92 HZ3 LYS 92 -2.922 7.942 0.682 728 H ILE 93 HN ILE 93 2.869 5.455 -2.908 729 HA ILE 93 HA ILE 93 1.511 4.005 -5.080 730 HB ILE 93 HB ILE 93 3.952 2.824 -3.824 731 1HG1 ILE 93 HG1 ILE 93 4.959 3.844 -6.136 732 2HG1 ILE 93 HG1 ILE 93 3.877 5.146 -5.652 733 1HG2 ILE 93 HG2 ILE 93 3.842 1.321 -5.500 734 2HG2 ILE 93 HG2 ILE 93 3.351 2.526 -6.691 735 3HG2 ILE 93 HG2 ILE 93 2.160 1.848 -5.582 736 1HD1 ILE 93 HD1 ILE 93 5.090 5.639 -3.778 737 2HD1 ILE 93 HD1 ILE 93 6.365 5.118 -4.879 738 3HD1 ILE 93 HD1 ILE 93 5.758 4.012 -3.647 739 H TYR 94 HN TYR 94 1.051 1.714 -4.487 740 HA TYR 94 HA TYR 94 0.660 1.327 -1.605 741 1HB TYR 94 HB1 TYR 94 -1.418 1.327 -3.742 742 2HB TYR 94 HB2 TYR 94 -1.565 0.136 -2.456 743 HD1 TYR 94 HD1 TYR 94 -1.199 3.793 -3.044 744 HD2 TYR 94 HD2 TYR 94 -2.535 0.724 -0.416 745 HE1 TYR 94 HE1 TYR 94 -2.242 5.489 -1.602 746 HE2 TYR 94 HE2 TYR 94 -3.581 2.413 1.033 747 HH TYR 94 HH TYR 94 -4.418 4.686 0.904 748 H ILE 95 HN ILE 95 1.427 -0.561 -0.953 749 HA ILE 95 HA ILE 95 1.790 -2.721 -2.930 750 HB ILE 95 HB ILE 95 3.613 -1.715 -0.753 751 1HG1 ILE 95 HG1 ILE 95 3.772 -0.711 -3.021 752 2HG1 ILE 95 HG1 ILE 95 5.248 -1.532 -2.528 753 1HG2 ILE 95 HG2 ILE 95 3.356 -4.217 -0.656 754 2HG2 ILE 95 HG2 ILE 95 4.996 -3.617 -0.902 755 3HG2 ILE 95 HG2 ILE 95 4.081 -4.267 -2.262 756 1HD1 ILE 95 HD1 ILE 95 5.010 -2.194 -4.716 757 2HD1 ILE 95 HD1 ILE 95 3.255 -2.315 -4.601 758 3HD1 ILE 95 HD1 ILE 95 4.275 -3.537 -3.842 759 H LYS 96 HN LYS 96 1.455 -4.893 -2.180 760 HA LYS 96 HA LYS 96 0.659 -5.205 0.595 761 1HB LYS 96 HB1 LYS 96 -1.573 -5.650 0.360 762 2HB LYS 96 HB2 LYS 96 -1.358 -4.407 -0.858 763 1HG LYS 96 HG1 LYS 96 -1.367 -7.357 -1.431 764 2HG LYS 96 HG2 LYS 96 -2.767 -6.296 -1.586 765 1HD LYS 96 HD1 LYS 96 -1.129 -4.893 -3.086 766 2HD LYS 96 HD2 LYS 96 -0.300 -6.442 -3.248 767 1HE LYS 96 HE1 LYS 96 -3.228 -6.491 -3.606 768 2HE LYS 96 HE2 LYS 96 -2.308 -5.654 -4.855 769 1HZ LYS 96 HZ1 LYS 96 -1.352 -8.281 -4.011 770 2HZ LYS 96 HZ2 LYS 96 -1.322 -7.561 -5.542 771 3HZ LYS 96 HZ3 LYS 96 -2.757 -8.234 -4.951 772 H VAL 97 HN VAL 97 1.481 -6.984 1.328 773 HA VAL 97 HA VAL 97 2.483 -9.046 -0.390 774 HB VAL 97 HB VAL 97 2.168 -9.156 2.611 775 1HG1 VAL 97 HG2 VAL 97 4.452 -10.466 1.342 776 2HG1 VAL 97 HG2 VAL 97 2.890 -11.134 0.869 777 3HG1 VAL 97 HG2 VAL 97 3.340 -11.064 2.573 778 1HG2 VAL 97 HG1 VAL 97 3.447 -7.145 1.628 779 2HG2 VAL 97 HG1 VAL 97 4.684 -8.332 1.212 780 3HG2 VAL 97 HG1 VAL 97 4.218 -8.099 2.897 781 H LYS 98 HN LYS 98 1.476 -10.843 -1.047 782 HA LYS 98 HA LYS 98 -1.262 -11.298 -0.176 783 1HB LYS 98 HB2 LYS 98 -0.054 -11.470 -2.626 784 2HB LYS 98 HB1 LYS 98 -0.097 -13.158 -2.135 785 1HG LYS 98 HG2 LYS 98 -2.481 -13.076 -1.864 786 2HG LYS 98 HG1 LYS 98 -2.495 -11.339 -2.170 787 1HD LYS 98 HD1 LYS 98 -1.660 -11.738 -4.441 788 2HD LYS 98 HD2 LYS 98 -1.670 -13.477 -4.132 789 1HE LYS 98 HE1 LYS 98 -4.179 -11.942 -3.686 790 2HE LYS 98 HE2 LYS 98 -3.685 -12.276 -5.345 791 1HZ LYS 98 HZ1 LYS 98 -4.960 -13.993 -3.549 792 2HZ LYS 98 HZ2 LYS 98 -3.422 -14.630 -3.849 793 3HZ LYS 98 HZ3 LYS 98 -4.475 -14.317 -5.136 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -27.294 -28.767 -12.954 2 2H GLY 1 HT2 GLY 1 -26.198 -27.963 -11.947 3 3H GLY 1 HT3 GLY 1 -25.727 -28.438 -13.501 4 1HA GLY 1 HA1 GLY 1 -27.830 -26.936 -14.116 5 2HA GLY 1 HA2 GLY 1 -27.286 -26.139 -12.648 6 H SER 2 HN SER 2 -25.731 -24.662 -12.832 7 HA SER 2 HA SER 2 -24.092 -24.684 -15.281 8 1HB SER 2 HB2 SER 2 -25.661 -22.519 -14.011 9 2HB SER 2 HB1 SER 2 -24.048 -22.067 -14.568 10 HG SER 2 HG SER 2 -25.058 -23.481 -16.501 11 H SER 3 HN SER 3 -24.234 -23.809 -11.858 12 HA SER 3 HA SER 3 -21.293 -23.975 -11.779 13 1HB SER 3 HB1 SER 3 -22.099 -22.478 -9.548 14 2HB SER 3 HB2 SER 3 -21.295 -21.871 -10.995 15 HG SER 3 HG SER 3 -23.371 -21.544 -11.908 16 H HIS 4 HN HIS 4 -20.475 -25.470 -10.467 17 HA HIS 4 HA HIS 4 -22.168 -27.240 -9.027 18 1HB HIS 4 HB1 HIS 4 -19.901 -28.112 -8.151 19 2HB HIS 4 HB2 HIS 4 -20.224 -28.238 -9.877 20 HD2 HIS 4 HD2 HIS 4 -17.685 -26.714 -7.470 21 HE1 HIS 4 HE1 HIS 4 -16.832 -25.244 -11.347 22 HE2 HIS 4 HE2 HIS 4 -15.995 -25.426 -8.959 23 H HIS 5 HN HIS 5 -22.671 -27.355 -6.909 24 HA HIS 5 HA HIS 5 -22.442 -25.053 -5.295 25 1HB HIS 5 HB1 HIS 5 -23.221 -27.889 -4.590 26 2HB HIS 5 HB2 HIS 5 -23.374 -26.522 -3.491 27 HD2 HIS 5 HD2 HIS 5 -25.830 -25.491 -3.519 28 HE1 HIS 5 HE1 HIS 5 -26.869 -26.605 -7.468 29 HE2 HIS 5 HE2 HIS 5 -27.676 -25.480 -5.342 30 H HIS 6 HN HIS 6 -20.924 -24.411 -3.905 31 HA HIS 6 HA HIS 6 -18.920 -26.367 -3.004 32 1HB HIS 6 HB2 HIS 6 -18.524 -23.912 -4.562 33 2HB HIS 6 HB1 HIS 6 -17.502 -24.013 -3.133 34 HD2 HIS 6 HD2 HIS 6 -17.990 -27.491 -4.479 35 HE1 HIS 6 HE1 HIS 6 -14.465 -25.981 -6.272 36 HE2 HIS 6 HE2 HIS 6 -15.864 -28.055 -5.857 37 H HIS 7 HN HIS 7 -19.041 -22.892 -2.410 38 HA HIS 7 HA HIS 7 -19.897 -23.390 0.351 39 1HB HIS 7 HB1 HIS 7 -17.247 -22.793 -0.396 40 2HB HIS 7 HB2 HIS 7 -17.903 -21.308 0.285 41 HD2 HIS 7 HD2 HIS 7 -19.038 -21.714 2.951 42 HE1 HIS 7 HE1 HIS 7 -16.404 -24.948 3.670 43 HE2 HIS 7 HE2 HIS 7 -17.999 -23.287 4.734 44 H HIS 8 HN HIS 8 -18.897 -20.728 -1.806 45 HA HIS 8 HA HIS 8 -20.557 -18.789 -0.630 46 1HB HIS 8 HB2 HIS 8 -19.670 -18.773 -3.515 47 2HB HIS 8 HB1 HIS 8 -19.999 -17.390 -2.477 48 HD2 HIS 8 HD2 HIS 8 -17.061 -19.222 -3.802 49 HE1 HIS 8 HE1 HIS 8 -15.789 -17.522 -0.140 50 HE2 HIS 8 HE2 HIS 8 -15.034 -18.634 -2.292 51 H HIS 9 HN HIS 9 -22.695 -18.929 -0.507 52 HA HIS 9 HA HIS 9 -24.243 -20.323 -2.509 53 1HB HIS 9 HB1 HIS 9 -24.581 -20.004 0.156 54 2HB HIS 9 HB2 HIS 9 -25.626 -18.718 -0.438 55 HD2 HIS 9 HD2 HIS 9 -25.971 -22.244 0.526 56 HE1 HIS 9 HE1 HIS 9 -28.802 -21.679 -2.570 57 HE2 HIS 9 HE2 HIS 9 -28.050 -23.208 -0.690 58 H SER 10 HN SER 10 -23.169 -17.146 -1.982 59 HA SER 10 HA SER 10 -25.358 -15.814 -3.296 60 1HB SER 10 HB1 SER 10 -24.162 -14.548 -1.647 61 2HB SER 10 HB2 SER 10 -22.616 -14.884 -2.424 62 HG SER 10 HG SER 10 -24.204 -12.837 -2.848 63 H SER 11 HN SER 11 -25.352 -14.879 -5.342 64 HA SER 11 HA SER 11 -24.028 -16.351 -7.365 65 1HB SER 11 HB1 SER 11 -25.190 -13.667 -7.970 66 2HB SER 11 HB2 SER 11 -25.343 -15.183 -8.857 67 HG SER 11 HG SER 11 -27.004 -14.131 -7.043 68 H GLY 12 HN GLY 12 -23.927 -12.810 -7.228 69 1HA GLY 12 HA1 GLY 12 -21.239 -12.833 -8.289 70 2HA GLY 12 HA2 GLY 12 -22.223 -11.415 -7.965 71 H LEU 13 HN LEU 13 -20.079 -10.632 -7.189 72 HA LEU 13 HA LEU 13 -19.258 -11.669 -4.594 73 1HB LEU 13 HB2 LEU 13 -17.949 -10.390 -6.742 74 2HB LEU 13 HB1 LEU 13 -17.869 -9.279 -5.388 75 HG LEU 13 HG LEU 13 -17.041 -11.391 -4.073 76 1HD1 LEU 13 HD2 LEU 13 -15.514 -12.578 -5.940 77 2HD1 LEU 13 HD2 LEU 13 -16.959 -12.245 -6.893 78 3HD1 LEU 13 HD2 LEU 13 -17.078 -13.201 -5.416 79 1HD2 LEU 13 HD1 LEU 13 -15.704 -9.414 -4.387 80 2HD2 LEU 13 HD1 LEU 13 -15.356 -9.869 -6.054 81 3HD2 LEU 13 HD1 LEU 13 -14.720 -10.838 -4.725 82 H VAL 14 HN VAL 14 -21.843 -10.430 -4.781 83 HA VAL 14 HA VAL 14 -21.685 -7.768 -3.729 84 HB VAL 14 HB VAL 14 -24.153 -8.171 -3.206 85 1HG1 VAL 14 HG2 VAL 14 -24.508 -8.453 -5.880 86 2HG1 VAL 14 HG2 VAL 14 -22.814 -7.967 -5.811 87 3HG1 VAL 14 HG2 VAL 14 -24.055 -6.944 -5.087 88 1HG2 VAL 14 HG1 VAL 14 -24.244 -10.538 -3.072 89 2HG2 VAL 14 HG1 VAL 14 -23.495 -10.725 -4.657 90 3HG2 VAL 14 HG1 VAL 14 -25.132 -10.082 -4.526 91 HA PRO 15 HA PRO 15 -22.777 -6.406 -2.381 92 1HB PRO 15 HB2 PRO 15 -21.485 -5.169 -0.100 93 2HB PRO 15 HB1 PRO 15 -23.192 -5.154 -0.543 94 1HG PRO 15 HG2 PRO 15 -22.223 -6.466 1.640 95 2HG PRO 15 HG1 PRO 15 -23.680 -6.967 0.766 96 1HD PRO 15 HD2 PRO 15 -20.899 -8.071 0.605 97 2HD PRO 15 HD1 PRO 15 -22.455 -8.931 0.622 98 H ARG 16 HN ARG 16 -21.503 -4.537 -3.064 99 HA ARG 16 HA ARG 16 -18.852 -5.333 -3.871 100 1HB ARG 16 HB1 ARG 16 -20.777 -3.213 -4.598 101 2HB ARG 16 HB2 ARG 16 -19.082 -2.772 -4.748 102 1HG ARG 16 HG1 ARG 16 -19.414 -3.613 -6.823 103 2HG ARG 16 HG2 ARG 16 -18.973 -5.109 -5.996 104 1HD ARG 16 HD2 ARG 16 -21.197 -5.827 -5.864 105 2HD ARG 16 HD1 ARG 16 -21.828 -4.215 -6.201 106 HE ARG 16 HE ARG 16 -21.413 -4.541 -8.472 107 1HH1 ARG 16 HH2 ARG 16 -20.353 -7.265 -6.574 108 2HH1 ARG 16 HH2 ARG 16 -20.198 -8.319 -7.940 109 1HH2 ARG 16 HH1 ARG 16 -21.211 -5.920 -10.274 110 2HH2 ARG 16 HH1 ARG 16 -20.685 -7.555 -10.043 111 H GLY 17 HN GLY 17 -17.864 -2.525 -3.924 112 1HA GLY 17 HA2 GLY 17 -16.499 -2.582 -1.416 113 2HA GLY 17 HA1 GLY 17 -16.358 -1.337 -2.647 114 H SER 18 HN SER 18 -16.452 -0.937 0.186 115 HA SER 18 HA SER 18 -19.052 -0.045 0.953 116 1HB SER 18 HB2 SER 18 -16.396 -0.197 2.155 117 2HB SER 18 HB1 SER 18 -17.248 1.282 2.598 118 HG SER 18 HG SER 18 -17.599 -0.711 3.914 119 H HIS 19 HN HIS 19 -16.122 1.966 0.815 120 HA HIS 19 HA HIS 19 -17.757 4.233 0.004 121 1HB HIS 19 HB1 HIS 19 -15.215 3.851 1.390 122 2HB HIS 19 HB2 HIS 19 -15.131 5.117 0.169 123 HD2 HIS 19 HD2 HIS 19 -16.295 4.609 3.733 124 HE1 HIS 19 HE1 HIS 19 -18.002 8.234 2.370 125 HE2 HIS 19 HE2 HIS 19 -17.554 6.779 4.398 126 H MET 20 HN MET 20 -15.440 5.576 -1.270 127 HA MET 20 HA MET 20 -15.980 4.802 -3.951 128 1HB MET 20 HB1 MET 20 -13.693 6.557 -3.067 129 2HB MET 20 HB2 MET 20 -14.557 6.592 -4.598 130 1HG MET 20 HG2 MET 20 -16.612 7.179 -3.118 131 2HG MET 20 HG1 MET 20 -15.389 7.632 -1.931 132 1HE MET 20 HE1 MET 20 -14.745 10.483 -1.977 133 2HE MET 20 HE2 MET 20 -13.562 10.537 -3.283 134 3HE MET 20 HE3 MET 20 -13.623 9.142 -2.204 135 H ALA 21 HN ALA 21 -12.670 5.269 -2.829 136 HA ALA 21 HA ALA 21 -11.836 2.953 -4.368 137 1HB ALA 21 HB1 ALA 21 -10.596 5.081 -4.512 138 2HB ALA 21 HB2 ALA 21 -9.581 3.734 -3.995 139 3HB ALA 21 HB3 ALA 21 -10.153 4.911 -2.813 140 H LYS 22 HN LYS 22 -10.181 1.470 -3.414 141 HA LYS 22 HA LYS 22 -11.136 0.532 -0.825 142 1HB LYS 22 HB1 LYS 22 -9.039 -0.883 -2.429 143 2HB LYS 22 HB2 LYS 22 -10.271 -1.556 -1.373 144 1HG LYS 22 HG2 LYS 22 -11.909 -1.445 -2.983 145 2HG LYS 22 HG1 LYS 22 -11.090 -0.161 -3.875 146 1HD LYS 22 HD1 LYS 22 -9.312 -1.822 -4.465 147 2HD LYS 22 HD2 LYS 22 -10.325 -3.073 -3.742 148 1HE LYS 22 HE1 LYS 22 -12.012 -2.787 -5.357 149 2HE LYS 22 HE2 LYS 22 -11.338 -1.254 -5.907 150 1HZ LYS 22 HZ1 LYS 22 -9.921 -2.281 -7.271 151 2HZ LYS 22 HZ2 LYS 22 -10.927 -3.630 -7.098 152 3HZ LYS 22 HZ3 LYS 22 -9.534 -3.488 -6.150 153 H TYR 23 HN TYR 23 -10.091 2.440 0.214 154 HA TYR 23 HA TYR 23 -7.191 2.316 0.410 155 1HB TYR 23 HB1 TYR 23 -7.566 4.316 1.963 156 2HB TYR 23 HB2 TYR 23 -7.974 4.534 0.265 157 HD1 TYR 23 HD1 TYR 23 -10.264 4.840 -0.437 158 HD2 TYR 23 HD2 TYR 23 -9.325 4.177 3.659 159 HE1 TYR 23 HE1 TYR 23 -12.529 5.558 0.192 160 HE2 TYR 23 HE2 TYR 23 -11.588 4.893 4.300 161 HH TYR 23 HH TYR 23 -13.717 5.239 3.459 162 H GLN 24 HN GLN 24 -8.508 0.050 1.401 163 HA GLN 24 HA GLN 24 -8.619 0.270 4.286 164 1HB GLN 24 HB1 GLN 24 -9.162 -1.877 2.284 165 2HB GLN 24 HB2 GLN 24 -8.805 -2.353 3.938 166 1HG GLN 24 HG2 GLN 24 -11.040 -2.181 4.139 167 2HG GLN 24 HG1 GLN 24 -10.645 -0.488 4.433 168 1HE2 GLN 24 HE2 GLN 24 -10.717 -2.357 1.430 169 2HE2 GLN 24 HE2 GLN 24 -11.894 -1.370 0.637 170 H VAL 25 HN VAL 25 -6.268 1.116 3.967 171 HA VAL 25 HA VAL 25 -4.272 -0.968 3.730 172 HB VAL 25 HB VAL 25 -3.776 1.869 4.560 173 1HG1 VAL 25 HG2 VAL 25 -2.016 -0.030 4.672 174 2HG1 VAL 25 HG2 VAL 25 -1.569 1.518 3.954 175 3HG1 VAL 25 HG2 VAL 25 -1.966 0.147 2.919 176 1HG2 VAL 25 HG1 VAL 25 -4.841 2.330 2.593 177 2HG2 VAL 25 HG1 VAL 25 -4.456 0.757 1.894 178 3HG2 VAL 25 HG1 VAL 25 -3.218 2.009 1.983 179 H THR 26 HN THR 26 -2.769 -1.515 5.380 180 HA THR 26 HA THR 26 -3.895 -1.269 8.072 181 HB THR 26 HB THR 26 -1.565 -3.002 7.795 182 HG1 THR 26 HG1 THR 26 -3.333 -4.478 6.638 183 1HG2 THR 26 HG2 THR 26 -3.916 -4.456 8.364 184 2HG2 THR 26 HG2 THR 26 -3.988 -2.936 9.254 185 3HG2 THR 26 HG2 THR 26 -2.604 -4.010 9.454 186 H LYS 27 HN LYS 27 -0.621 -1.322 6.625 187 HA LYS 27 HA LYS 27 0.160 0.711 8.612 188 1HB LYS 27 HB1 LYS 27 1.246 -1.762 8.377 189 2HB LYS 27 HB2 LYS 27 2.292 -0.847 7.302 190 1HG LYS 27 HG1 LYS 27 3.460 -0.432 9.155 191 2HG LYS 27 HG2 LYS 27 2.223 0.791 9.452 192 1HD LYS 27 HD1 LYS 27 1.051 -0.603 10.942 193 2HD LYS 27 HD2 LYS 27 1.932 -2.039 10.417 194 1HE LYS 27 HE2 LYS 27 3.509 -1.699 11.944 195 2HE LYS 27 HE1 LYS 27 3.768 -0.051 11.373 196 1HZ LYS 27 HZ1 LYS 27 2.308 0.807 12.903 197 2HZ LYS 27 HZ2 LYS 27 2.981 -0.468 13.788 198 3HZ LYS 27 HZ3 LYS 27 1.453 -0.642 13.086 199 H THR 28 HN THR 28 1.784 2.267 7.918 200 HA THR 28 HA THR 28 1.917 2.659 5.012 201 HB THR 28 HB THR 28 1.184 4.812 7.008 202 HG1 THR 28 HG1 THR 28 -0.487 3.264 6.401 203 1HG2 THR 28 HG2 THR 28 0.680 6.140 4.948 204 2HG2 THR 28 HG2 THR 28 1.579 4.927 4.037 205 3HG2 THR 28 HG2 THR 28 2.391 5.876 5.283 206 H LEU 29 HN LEU 29 3.926 3.037 4.344 207 HA LEU 29 HA LEU 29 5.916 3.888 6.329 208 1HB LEU 29 HB1 LEU 29 6.165 1.663 5.129 209 2HB LEU 29 HB2 LEU 29 6.462 2.585 3.668 210 HG LEU 29 HG LEU 29 8.141 3.319 5.976 211 1HD1 LEU 29 HD1 LEU 29 9.503 1.153 4.888 212 2HD1 LEU 29 HD1 LEU 29 7.867 0.559 5.175 213 3HD1 LEU 29 HD1 LEU 29 8.795 1.261 6.500 214 1HD2 LEU 29 HD2 LEU 29 9.825 3.525 4.294 215 2HD2 LEU 29 HD2 LEU 29 8.341 4.250 3.677 216 3HD2 LEU 29 HD2 LEU 29 8.836 2.650 3.124 217 H ASP 30 HN ASP 30 6.603 5.904 6.199 218 HA ASP 30 HA ASP 30 6.657 7.220 3.564 219 1HB ASP 30 HB1 ASP 30 4.846 8.190 4.843 220 2HB ASP 30 HB2 ASP 30 5.897 8.415 6.238 221 H VAL 31 HN VAL 31 8.703 7.539 2.978 222 HA VAL 31 HA VAL 31 10.591 8.573 4.965 223 HB VAL 31 HB VAL 31 12.370 7.058 3.934 224 1HG1 VAL 31 HG2 VAL 31 10.567 5.250 5.370 225 2HG1 VAL 31 HG2 VAL 31 10.817 6.809 6.157 226 3HG1 VAL 31 HG2 VAL 31 12.199 5.783 5.772 227 1HG2 VAL 31 HG1 VAL 31 11.589 4.940 3.008 228 2HG2 VAL 31 HG1 VAL 31 11.055 6.297 2.016 229 3HG2 VAL 31 HG1 VAL 31 9.920 5.503 3.107 230 H ARG 32 HN ARG 32 10.001 10.513 3.672 231 HA ARG 32 HA ARG 32 10.738 10.778 0.961 232 1HB ARG 32 HB1 ARG 32 10.678 13.235 1.433 233 2HB ARG 32 HB2 ARG 32 9.228 12.373 1.933 234 1HG ARG 32 HG2 ARG 32 11.120 12.461 4.090 235 2HG ARG 32 HG1 ARG 32 10.814 14.084 3.469 236 1HD ARG 32 HD1 ARG 32 8.393 13.683 3.686 237 2HD ARG 32 HD2 ARG 32 8.735 12.095 4.372 238 HE ARG 32 HE ARG 32 9.251 13.100 6.365 239 1HH1 ARG 32 HH2 ARG 32 9.151 15.515 3.855 240 2HH1 ARG 32 HH2 ARG 32 9.279 16.848 4.954 241 1HH2 ARG 32 HH1 ARG 32 9.420 14.849 7.819 242 2HH2 ARG 32 HH1 ARG 32 9.432 16.470 7.207 243 H GLY 33 HN GLY 33 12.349 13.084 0.914 244 1HA GLY 33 HA1 GLY 33 14.916 11.989 0.814 245 2HA GLY 33 HA2 GLY 33 14.555 13.709 0.820 246 H GLU 34 HN GLU 34 15.535 10.973 2.704 247 HA GLU 34 HA GLU 34 15.774 12.642 5.107 248 1HB GLU 34 HB2 GLU 34 15.630 9.688 4.630 249 2HB GLU 34 HB1 GLU 34 16.394 10.288 6.094 250 1HG GLU 34 HG1 GLU 34 14.381 11.379 6.778 251 2HG GLU 34 HG2 GLU 34 13.604 11.010 5.239 252 H VAL 35 HN VAL 35 17.778 11.534 6.475 253 HA VAL 35 HA VAL 35 20.111 12.104 4.807 254 HB VAL 35 HB VAL 35 20.284 12.033 7.744 255 1HG1 VAL 35 HG2 VAL 35 22.294 12.281 6.331 256 2HG1 VAL 35 HG2 VAL 35 22.025 13.656 7.404 257 3HG1 VAL 35 HG2 VAL 35 21.614 13.778 5.693 258 1HG2 VAL 35 HG1 VAL 35 19.563 14.592 6.426 259 2HG2 VAL 35 HG1 VAL 35 19.320 14.081 8.096 260 3HG2 VAL 35 HG1 VAL 35 18.277 13.451 6.819 261 H CYS 36 HN CYS 36 20.137 10.414 7.857 262 HA CYS 36 HA CYS 36 22.055 8.556 7.176 263 1HB CYS 36 HB2 CYS 36 20.131 8.910 9.349 264 2HB CYS 36 HB1 CYS 36 20.513 7.219 9.046 265 HG CYS 36 HG CYS 36 22.348 7.815 10.617 266 HA PRO 37 HA PRO 37 20.024 5.521 4.685 267 1HB PRO 37 HB2 PRO 37 21.411 3.289 5.268 268 2HB PRO 37 HB1 PRO 37 22.130 4.633 4.374 269 1HG PRO 37 HG1 PRO 37 22.384 3.932 7.275 270 2HG PRO 37 HG2 PRO 37 23.640 4.455 6.137 271 1HD PRO 37 HD2 PRO 37 22.451 6.131 7.930 272 2HD PRO 37 HD1 PRO 37 23.099 6.675 6.370 273 H VAL 38 HN VAL 38 19.029 5.968 7.544 274 HA VAL 38 HA VAL 38 18.270 3.545 8.704 275 HB VAL 38 HB VAL 38 16.766 6.161 8.808 276 1HG1 VAL 38 HG2 VAL 38 16.649 4.584 11.200 277 2HG1 VAL 38 HG2 VAL 38 16.094 3.630 9.825 278 3HG1 VAL 38 HG2 VAL 38 15.332 5.178 10.190 279 1HG2 VAL 38 HG1 VAL 38 18.112 6.828 10.579 280 2HG2 VAL 38 HG1 VAL 38 19.265 6.089 9.467 281 3HG2 VAL 38 HG1 VAL 38 18.701 5.193 10.878 282 HA PRO 39 HA PRO 39 14.050 4.035 6.245 283 1HB PRO 39 HB1 PRO 39 14.396 5.197 3.769 284 2HB PRO 39 HB2 PRO 39 13.768 6.035 5.191 285 1HG PRO 39 HG1 PRO 39 16.539 6.022 4.066 286 2HG PRO 39 HG2 PRO 39 15.604 7.376 4.731 287 1HD PRO 39 HD2 PRO 39 17.524 6.171 6.158 288 2HD PRO 39 HD1 PRO 39 16.032 6.753 6.925 289 H ASP 40 HN ASP 40 17.154 3.661 4.618 290 HA ASP 40 HA ASP 40 16.316 1.869 2.613 291 1HB ASP 40 HB1 ASP 40 18.641 3.151 3.139 292 2HB ASP 40 HB2 ASP 40 19.055 1.528 3.683 293 H VAL 41 HN VAL 41 18.014 1.181 5.677 294 HA VAL 41 HA VAL 41 17.728 -1.625 5.484 295 HB VAL 41 HB VAL 41 18.029 -0.144 8.084 296 1HG1 VAL 41 HG2 VAL 41 18.055 -2.865 7.339 297 2HG1 VAL 41 HG2 VAL 41 18.406 -2.166 8.919 298 3HG1 VAL 41 HG2 VAL 41 19.710 -2.429 7.762 299 1HG2 VAL 41 HG1 VAL 41 20.058 -0.560 5.910 300 2HG2 VAL 41 HG1 VAL 41 20.529 -0.359 7.597 301 3HG2 VAL 41 HG1 VAL 41 19.649 0.924 6.769 302 H GLU 42 HN GLU 42 15.562 0.854 6.426 303 HA GLU 42 HA GLU 42 13.921 -0.588 8.216 304 1HB GLU 42 HB2 GLU 42 13.930 1.907 7.890 305 2HB GLU 42 HB1 GLU 42 13.064 1.656 6.380 306 1HG GLU 42 HG2 GLU 42 11.169 0.790 7.508 307 2HG GLU 42 HG1 GLU 42 12.043 0.690 9.036 308 H THR 43 HN THR 43 13.124 0.357 4.867 309 HA THR 43 HA THR 43 10.982 -1.419 4.603 310 HB THR 43 HB THR 43 11.478 0.570 3.142 311 HG1 THR 43 HG1 THR 43 10.879 -0.731 1.153 312 1HG2 THR 43 HG2 THR 43 13.439 -1.326 1.895 313 2HG2 THR 43 HG2 THR 43 13.743 0.292 2.526 314 3HG2 THR 43 HG2 THR 43 12.775 0.082 1.065 315 H LYS 44 HN LYS 44 14.410 -1.872 4.117 316 HA LYS 44 HA LYS 44 14.422 -4.178 2.562 317 1HB LYS 44 HB1 LYS 44 16.279 -2.869 4.435 318 2HB LYS 44 HB2 LYS 44 16.531 -4.599 4.248 319 1HG LYS 44 HG1 LYS 44 16.276 -2.823 1.854 320 2HG LYS 44 HG2 LYS 44 17.811 -2.983 2.712 321 1HD LYS 44 HD2 LYS 44 18.196 -4.794 1.474 322 2HD LYS 44 HD1 LYS 44 16.919 -5.595 2.394 323 1HE LYS 44 HE1 LYS 44 16.157 -5.920 0.259 324 2HE LYS 44 HE2 LYS 44 15.358 -4.399 0.656 325 1HZ LYS 44 HZ1 LYS 44 16.298 -3.603 -1.175 326 2HZ LYS 44 HZ2 LYS 44 17.312 -4.945 -1.351 327 3HZ LYS 44 HZ3 LYS 44 17.782 -3.655 -0.363 328 H ARG 45 HN ARG 45 14.156 -3.824 6.079 329 HA ARG 45 HA ARG 45 14.099 -6.588 6.662 330 1HB ARG 45 HB1 ARG 45 14.575 -4.752 8.289 331 2HB ARG 45 HB2 ARG 45 12.864 -4.354 8.268 332 1HG ARG 45 HG2 ARG 45 13.514 -7.168 8.841 333 2HG ARG 45 HG1 ARG 45 14.002 -5.995 10.066 334 1HD ARG 45 HD1 ARG 45 11.466 -5.173 9.454 335 2HD ARG 45 HD2 ARG 45 11.335 -6.925 9.307 336 HE ARG 45 HE ARG 45 12.672 -6.293 11.698 337 1HH1 ARG 45 HH1 ARG 45 9.506 -6.106 10.254 338 2HH1 ARG 45 HH1 ARG 45 8.668 -6.211 11.765 339 1HH2 ARG 45 HH2 ARG 45 11.576 -6.433 13.694 340 2HH2 ARG 45 HH2 ARG 45 9.846 -6.398 13.721 341 H ALA 46 HN ALA 46 11.621 -4.241 5.837 342 HA ALA 46 HA ALA 46 9.370 -5.804 6.514 343 1HB ALA 46 HB1 ALA 46 9.775 -3.245 5.604 344 2HB ALA 46 HB2 ALA 46 8.209 -4.023 5.829 345 3HB ALA 46 HB3 ALA 46 8.973 -4.025 4.240 346 H LEU 47 HN LEU 47 11.341 -5.590 3.610 347 HA LEU 47 HA LEU 47 9.645 -7.150 1.949 348 1HB LEU 47 HB2 LEU 47 12.491 -6.254 1.808 349 2HB LEU 47 HB1 LEU 47 11.901 -7.463 0.690 350 HG LEU 47 HG LEU 47 10.498 -5.984 -0.407 351 1HD1 LEU 47 HD2 LEU 47 10.627 -4.293 2.073 352 2HD1 LEU 47 HD2 LEU 47 9.217 -5.039 1.324 353 3HD1 LEU 47 HD2 LEU 47 10.014 -3.676 0.539 354 1HD2 LEU 47 HD1 LEU 47 12.712 -5.408 -0.992 355 2HD2 LEU 47 HD1 LEU 47 12.947 -4.497 0.500 356 3HD2 LEU 47 HD1 LEU 47 11.857 -3.885 -0.744 357 H GLN 48 HN GLN 48 12.405 -7.911 4.015 358 HA GLN 48 HA GLN 48 12.478 -10.666 3.213 359 1HB GLN 48 HB1 GLN 48 14.182 -8.900 4.601 360 2HB GLN 48 HB2 GLN 48 13.795 -10.194 5.727 361 1HG GLN 48 HG1 GLN 48 14.572 -11.849 4.151 362 2HG GLN 48 HG2 GLN 48 14.869 -10.598 2.945 363 1HE2 GLN 48 HE2 GLN 48 15.738 -11.473 6.267 364 2HE2 GLN 48 HE2 GLN 48 17.381 -10.949 6.159 365 H ASN 49 HN ASN 49 10.740 -8.838 5.554 366 HA ASN 49 HA ASN 49 9.629 -11.336 6.622 367 1HB ASN 49 HB1 ASN 49 11.351 -10.113 8.157 368 2HB ASN 49 HB2 ASN 49 10.029 -8.986 8.444 369 1HD2 ASN 49 HD2 ASN 49 9.188 -9.407 10.350 370 2HD2 ASN 49 HD2 ASN 49 8.786 -10.972 10.961 371 H MET 50 HN MET 50 8.050 -10.644 4.901 372 HA MET 50 HA MET 50 6.218 -8.558 5.857 373 1HB MET 50 HB1 MET 50 5.198 -8.697 3.613 374 2HB MET 50 HB2 MET 50 6.907 -8.294 3.542 375 1HG MET 50 HG1 MET 50 7.371 -10.688 3.059 376 2HG MET 50 HG2 MET 50 5.630 -10.952 2.983 377 1HE MET 50 HE1 MET 50 8.425 -8.724 0.319 378 2HE MET 50 HE2 MET 50 8.205 -8.489 2.054 379 3HE MET 50 HE3 MET 50 7.276 -7.523 0.908 380 H LYS 51 HN LYS 51 4.045 -8.984 6.232 381 HA LYS 51 HA LYS 51 3.460 -11.690 7.015 382 1HB LYS 51 HB2 LYS 51 2.692 -9.223 7.923 383 2HB LYS 51 HB1 LYS 51 1.251 -9.773 7.085 384 1HG LYS 51 HG1 LYS 51 1.500 -11.922 8.440 385 2HG LYS 51 HG2 LYS 51 2.648 -11.017 9.427 386 1HD LYS 51 HD1 LYS 51 1.036 -9.667 10.313 387 2HD LYS 51 HD2 LYS 51 0.016 -9.761 8.875 388 1HE LYS 51 HE1 LYS 51 -1.042 -10.915 10.724 389 2HE LYS 51 HE2 LYS 51 -0.584 -12.066 9.470 390 1HZ LYS 51 HZ1 LYS 51 0.632 -11.646 12.122 391 2HZ LYS 51 HZ2 LYS 51 1.529 -12.352 10.874 392 3HZ LYS 51 HZ3 LYS 51 0.102 -13.086 11.410 393 HA PRO 52 HA PRO 52 1.466 -13.507 3.565 394 1HB PRO 52 HB2 PRO 52 -0.917 -13.612 5.385 395 2HB PRO 52 HB1 PRO 52 -0.276 -14.858 4.307 396 1HG PRO 52 HG1 PRO 52 0.244 -14.901 6.930 397 2HG PRO 52 HG2 PRO 52 1.461 -15.392 5.739 398 1HD PRO 52 HD2 PRO 52 1.356 -12.977 7.430 399 2HD PRO 52 HD1 PRO 52 2.749 -13.746 6.648 400 H GLY 53 HN GLY 53 -1.330 -11.959 5.124 401 1HA GLY 53 HA1 GLY 53 -1.906 -10.654 2.553 402 2HA GLY 53 HA2 GLY 53 -3.096 -11.053 3.779 403 H GLU 54 HN GLU 54 -0.088 -9.157 3.606 404 HA GLU 54 HA GLU 54 -1.285 -7.174 5.376 405 1HB GLU 54 HB2 GLU 54 1.439 -7.927 4.612 406 2HB GLU 54 HB1 GLU 54 1.192 -6.188 4.718 407 1HG GLU 54 HG1 GLU 54 0.348 -8.049 6.903 408 2HG GLU 54 HG2 GLU 54 1.986 -7.406 6.803 409 H ILE 55 HN ILE 55 -1.333 -4.933 4.912 410 HA ILE 55 HA ILE 55 -1.198 -4.201 2.067 411 HB ILE 55 HB ILE 55 -3.367 -3.123 3.851 412 1HG1 ILE 55 HG1 ILE 55 -4.003 -5.223 1.831 413 2HG1 ILE 55 HG1 ILE 55 -3.315 -5.748 3.365 414 1HG2 ILE 55 HG2 ILE 55 -3.015 -1.768 1.961 415 2HG2 ILE 55 HG2 ILE 55 -4.427 -2.753 1.577 416 3HG2 ILE 55 HG2 ILE 55 -2.854 -3.161 0.891 417 1HD1 ILE 55 HD1 ILE 55 -5.995 -4.985 2.752 418 2HD1 ILE 55 HD1 ILE 55 -5.345 -3.926 4.003 419 3HD1 ILE 55 HD1 ILE 55 -5.341 -5.674 4.237 420 H LEU 56 HN LEU 56 0.284 -2.629 1.901 421 HA LEU 56 HA LEU 56 0.438 -0.639 4.065 422 1HB LEU 56 HB2 LEU 56 2.527 -2.340 2.900 423 2HB LEU 56 HB1 LEU 56 2.959 -0.643 2.998 424 HG LEU 56 HG LEU 56 2.346 -0.734 5.446 425 1HD1 LEU 56 HD2 LEU 56 1.321 -3.219 4.739 426 2HD1 LEU 56 HD2 LEU 56 1.507 -2.569 6.368 427 3HD1 LEU 56 HD2 LEU 56 2.776 -3.576 5.671 428 1HD2 LEU 56 HD1 LEU 56 4.535 -0.915 5.745 429 2HD2 LEU 56 HD1 LEU 56 4.680 -1.513 4.093 430 3HD2 LEU 56 HD1 LEU 56 4.474 -2.648 5.426 431 H GLU 57 HN GLU 57 1.101 1.452 3.508 432 HA GLU 57 HA GLU 57 0.815 2.114 0.650 433 1HB GLU 57 HB2 GLU 57 -1.033 3.077 1.807 434 2HB GLU 57 HB1 GLU 57 -0.008 3.655 3.113 435 1HG GLU 57 HG2 GLU 57 1.016 5.273 1.634 436 2HG GLU 57 HG1 GLU 57 0.075 4.657 0.276 437 H VAL 58 HN VAL 58 2.523 3.074 -0.286 438 HA VAL 58 HA VAL 58 4.715 3.928 1.484 439 HB VAL 58 HB VAL 58 5.152 3.192 -1.385 440 1HG1 VAL 58 HG2 VAL 58 7.196 3.799 -0.709 441 2HG1 VAL 58 HG2 VAL 58 7.231 2.248 0.128 442 3HG1 VAL 58 HG2 VAL 58 6.757 3.708 0.997 443 1HG2 VAL 58 HG1 VAL 58 4.220 1.403 0.703 444 2HG2 VAL 58 HG1 VAL 58 5.784 0.914 0.051 445 3HG2 VAL 58 HG1 VAL 58 4.405 1.121 -1.028 446 H TRP 59 HN TRP 59 5.404 5.941 1.424 447 HA TRP 59 HA TRP 59 4.682 7.626 -0.888 448 1HB TRP 59 HB2 TRP 59 3.628 7.970 1.576 449 2HB TRP 59 HB1 TRP 59 5.087 8.941 1.741 450 HD1 TRP 59 HD1 TRP 59 4.457 9.499 -1.692 451 HE1 TRP 59 HE1 TRP 59 2.978 11.559 -2.125 452 HE3 TRP 59 HE3 TRP 59 2.529 10.115 3.004 453 HZ2 TRP 59 HZ2 TRP 59 1.225 13.226 -0.670 454 HZ3 TRP 59 HZ3 TRP 59 0.958 11.968 3.399 455 HH2 TRP 59 HH2 TRP 59 0.320 13.490 1.599 456 H ILE 60 HN ILE 60 6.567 7.735 -1.992 457 HA ILE 60 HA ILE 60 8.824 9.025 -0.700 458 HB ILE 60 HB ILE 60 9.699 6.716 -2.306 459 1HG1 ILE 60 HG1 ILE 60 8.482 6.350 0.442 460 2HG1 ILE 60 HG1 ILE 60 7.944 5.599 -1.058 461 1HG2 ILE 60 HG2 ILE 60 10.784 8.559 -0.490 462 2HG2 ILE 60 HG2 ILE 60 11.610 7.229 -1.302 463 3HG2 ILE 60 HG2 ILE 60 10.891 6.981 0.289 464 1HD1 ILE 60 HD1 ILE 60 9.106 3.884 -0.112 465 2HD1 ILE 60 HD1 ILE 60 10.278 4.954 0.658 466 3HD1 ILE 60 HD1 ILE 60 10.380 4.635 -1.074 467 H ASP 61 HN ASP 61 10.680 8.518 -2.791 468 HA ASP 61 HA ASP 61 9.360 9.459 -5.217 469 1HB ASP 61 HB1 ASP 61 10.961 11.346 -5.425 470 2HB ASP 61 HB2 ASP 61 9.893 11.511 -4.034 471 H TYR 62 HN TYR 62 10.680 6.958 -4.607 472 HA TYR 62 HA TYR 62 13.099 7.198 -6.256 473 1HB TYR 62 HB1 TYR 62 12.297 5.210 -4.164 474 2HB TYR 62 HB2 TYR 62 13.473 4.766 -5.397 475 HD1 TYR 62 HD1 TYR 62 12.822 6.936 -2.507 476 HD2 TYR 62 HD2 TYR 62 15.688 5.722 -5.409 477 HE1 TYR 62 HE1 TYR 62 14.599 8.017 -1.196 478 HE2 TYR 62 HE2 TYR 62 17.474 6.799 -4.105 479 HH TYR 62 HH TYR 62 16.748 8.602 -1.136 480 HA PRO 63 HA PRO 63 10.339 5.325 -4.742 481 1HB PRO 63 HB1 PRO 63 8.347 3.576 -5.022 482 2HB PRO 63 HB2 PRO 63 8.214 5.205 -5.692 483 1HG PRO 63 HG2 PRO 63 8.638 2.624 -7.077 484 2HG PRO 63 HG1 PRO 63 7.901 4.117 -7.681 485 1HD PRO 63 HD2 PRO 63 10.598 3.188 -8.053 486 2HD PRO 63 HD1 PRO 63 9.856 4.675 -8.675 487 H MET 64 HN MET 64 10.220 3.664 -3.045 488 HA MET 64 HA MET 64 12.337 1.779 -3.234 489 1HB MET 64 HB1 MET 64 10.666 2.863 -1.178 490 2HB MET 64 HB2 MET 64 10.675 1.111 -1.035 491 1HG MET 64 HG1 MET 64 13.047 2.957 -1.006 492 2HG MET 64 HG2 MET 64 12.415 1.995 0.330 493 1HE MET 64 HE1 MET 64 15.108 1.855 0.242 494 2HE MET 64 HE2 MET 64 15.656 1.923 -1.433 495 3HE MET 64 HE3 MET 64 15.905 0.458 -0.482 496 H SER 65 HN SER 65 9.034 1.638 -4.074 497 HA SER 65 HA SER 65 8.442 -1.062 -3.607 498 1HB SER 65 HB1 SER 65 7.096 -0.384 -5.963 499 2HB SER 65 HB2 SER 65 6.479 -0.230 -4.318 500 HG SER 65 HG SER 65 6.367 1.748 -5.449 501 H LYS 66 HN LYS 66 10.598 0.384 -5.816 502 HA LYS 66 HA LYS 66 10.530 -1.468 -7.930 503 1HB LYS 66 HB2 LYS 66 12.666 -0.580 -8.584 504 2HB LYS 66 HB1 LYS 66 11.687 0.749 -7.981 505 1HG LYS 66 HG2 LYS 66 13.074 1.163 -6.266 506 2HG LYS 66 HG1 LYS 66 13.380 -0.548 -5.965 507 1HD LYS 66 HD1 LYS 66 15.212 -0.584 -7.276 508 2HD LYS 66 HD2 LYS 66 14.491 0.486 -8.481 509 1HE LYS 66 HE2 LYS 66 16.336 1.639 -7.516 510 2HE LYS 66 HE1 LYS 66 14.863 2.384 -6.896 511 1HZ LYS 66 HZ1 LYS 66 16.461 0.349 -5.440 512 2HZ LYS 66 HZ2 LYS 66 15.119 1.189 -4.845 513 3HZ LYS 66 HZ3 LYS 66 16.556 2.017 -5.174 514 H GLU 67 HN GLU 67 11.889 -1.624 -4.755 515 HA GLU 67 HA GLU 67 13.400 -4.051 -5.389 516 1HB GLU 67 HB2 GLU 67 13.624 -1.964 -3.406 517 2HB GLU 67 HB1 GLU 67 13.526 -3.536 -2.624 518 1HG GLU 67 HG2 GLU 67 15.562 -4.155 -3.325 519 2HG GLU 67 HG1 GLU 67 15.357 -3.412 -4.910 520 H ARG 68 HN ARG 68 10.508 -2.910 -3.894 521 HA ARG 68 HA ARG 68 9.843 -5.064 -2.254 522 1HB ARG 68 HB1 ARG 68 8.378 -2.863 -3.585 523 2HB ARG 68 HB2 ARG 68 7.408 -4.253 -3.120 524 1HG ARG 68 HG2 ARG 68 7.268 -2.804 -1.303 525 2HG ARG 68 HG1 ARG 68 8.464 -4.007 -0.812 526 1HD ARG 68 HD2 ARG 68 10.258 -2.523 -1.202 527 2HD ARG 68 HD1 ARG 68 9.231 -1.396 -2.087 528 HE ARG 68 HE ARG 68 9.146 -1.831 0.824 529 1HH1 ARG 68 HH2 ARG 68 8.562 0.133 -1.993 530 2HH1 ARG 68 HH2 ARG 68 8.089 1.527 -1.082 531 1HH2 ARG 68 HH1 ARG 68 8.525 -0.001 2.032 532 2HH2 ARG 68 HH1 ARG 68 8.068 1.452 1.206 533 H ILE 69 HN ILE 69 9.066 -4.505 -5.686 534 HA ILE 69 HA ILE 69 7.514 -6.774 -6.089 535 HB ILE 69 HB ILE 69 9.331 -5.569 -8.164 536 1HG1 ILE 69 HG1 ILE 69 6.524 -4.687 -8.040 537 2HG1 ILE 69 HG1 ILE 69 7.518 -4.149 -6.689 538 1HG2 ILE 69 HG2 ILE 69 6.628 -6.825 -8.541 539 2HG2 ILE 69 HG2 ILE 69 8.128 -7.749 -8.623 540 3HG2 ILE 69 HG2 ILE 69 7.836 -6.438 -9.765 541 1HD1 ILE 69 HD1 ILE 69 8.145 -3.703 -9.597 542 2HD1 ILE 69 HD1 ILE 69 9.086 -3.123 -8.223 543 3HD1 ILE 69 HD1 ILE 69 7.454 -2.511 -8.495 544 HA PRO 70 HA PRO 70 11.737 -8.920 -7.760 545 1HB PRO 70 HB1 PRO 70 13.304 -7.670 -5.532 546 2HB PRO 70 HB2 PRO 70 13.859 -8.240 -7.111 547 1HG PRO 70 HG1 PRO 70 13.461 -5.646 -6.667 548 2HG PRO 70 HG2 PRO 70 13.025 -6.380 -8.220 549 1HD PRO 70 HD2 PRO 70 11.277 -5.442 -6.017 550 2HD PRO 70 HD1 PRO 70 10.941 -5.560 -7.754 551 H GLU 71 HN GLU 71 11.542 -8.148 -4.269 552 HA GLU 71 HA GLU 71 12.143 -10.752 -3.389 553 1HB GLU 71 HB1 GLU 71 11.378 -8.241 -2.211 554 2HB GLU 71 HB2 GLU 71 10.479 -9.547 -1.452 555 1HG GLU 71 HG2 GLU 71 13.460 -9.228 -1.633 556 2HG GLU 71 HG1 GLU 71 12.452 -9.195 -0.187 557 H THR 72 HN THR 72 9.063 -9.144 -4.029 558 HA THR 72 HA THR 72 7.358 -11.112 -3.042 559 HB THR 72 HB THR 72 6.703 -9.472 -5.476 560 HG1 THR 72 HG1 THR 72 6.981 -7.731 -4.368 561 1HG2 THR 72 HG2 THR 72 4.570 -9.194 -4.015 562 2HG2 THR 72 HG2 THR 72 5.157 -10.658 -3.224 563 3HG2 THR 72 HG2 THR 72 4.818 -10.666 -4.955 564 H VAL 73 HN VAL 73 8.496 -10.666 -6.401 565 HA VAL 73 HA VAL 73 7.163 -12.854 -7.486 566 HB VAL 73 HB VAL 73 9.425 -12.744 -8.975 567 1HG1 VAL 73 HG2 VAL 73 7.421 -12.708 -10.100 568 2HG1 VAL 73 HG2 VAL 73 8.003 -11.062 -10.353 569 3HG1 VAL 73 HG2 VAL 73 6.783 -11.387 -9.121 570 1HG2 VAL 73 HG1 VAL 73 9.876 -10.323 -9.296 571 2HG2 VAL 73 HG1 VAL 73 10.416 -10.951 -7.740 572 3HG2 VAL 73 HG1 VAL 73 8.928 -10.008 -7.842 573 H LYS 74 HN LYS 74 10.039 -12.697 -5.562 574 HA LYS 74 HA LYS 74 11.175 -15.193 -6.209 575 1HB LYS 74 HB1 LYS 74 11.826 -13.182 -4.479 576 2HB LYS 74 HB2 LYS 74 11.252 -14.413 -3.364 577 1HG LYS 74 HG1 LYS 74 13.201 -15.447 -3.500 578 2HG LYS 74 HG2 LYS 74 12.971 -15.669 -5.236 579 1HD LYS 74 HD2 LYS 74 13.911 -13.418 -5.615 580 2HD LYS 74 HD1 LYS 74 14.207 -13.273 -3.881 581 1HE LYS 74 HE1 LYS 74 15.410 -15.634 -4.384 582 2HE LYS 74 HE2 LYS 74 15.648 -14.825 -5.932 583 1HZ LYS 74 HZ1 LYS 74 17.496 -14.222 -4.696 584 2HZ LYS 74 HZ2 LYS 74 16.616 -14.015 -3.266 585 3HZ LYS 74 HZ3 LYS 74 16.476 -12.883 -4.516 586 H LYS 75 HN LYS 75 8.708 -14.202 -3.888 587 HA LYS 75 HA LYS 75 8.083 -16.980 -3.245 588 1HB LYS 75 HB1 LYS 75 6.864 -14.395 -2.252 589 2HB LYS 75 HB2 LYS 75 6.441 -15.999 -1.671 590 1HG LYS 75 HG1 LYS 75 7.925 -15.453 -0.062 591 2HG LYS 75 HG2 LYS 75 9.067 -16.097 -1.244 592 1HD LYS 75 HD2 LYS 75 9.945 -14.023 -0.475 593 2HD LYS 75 HD1 LYS 75 9.340 -13.758 -2.112 594 1HE LYS 75 HE2 LYS 75 8.528 -11.911 -0.979 595 2HE LYS 75 HE1 LYS 75 7.160 -13.021 -0.920 596 1HZ LYS 75 HZ1 LYS 75 9.145 -12.651 1.259 597 2HZ LYS 75 HZ2 LYS 75 7.778 -13.647 1.311 598 3HZ LYS 75 HZ3 LYS 75 7.598 -11.967 1.227 599 H LEU 76 HN LEU 76 5.902 -14.249 -3.888 600 HA LEU 76 HA LEU 76 4.241 -16.025 -5.527 601 1HB LEU 76 HB1 LEU 76 2.744 -13.796 -5.296 602 2HB LEU 76 HB2 LEU 76 2.690 -15.130 -4.158 603 HG LEU 76 HG LEU 76 4.638 -12.932 -3.649 604 1HD1 LEU 76 HD2 LEU 76 1.892 -12.416 -4.067 605 2HD1 LEU 76 HD2 LEU 76 3.129 -11.325 -3.441 606 3HD1 LEU 76 HD2 LEU 76 2.189 -12.326 -2.332 607 1HD2 LEU 76 HD1 LEU 76 4.528 -14.952 -2.231 608 2HD2 LEU 76 HD1 LEU 76 2.858 -14.549 -1.831 609 3HD2 LEU 76 HD1 LEU 76 4.165 -13.470 -1.345 610 H GLY 77 HN GLY 77 3.966 -12.591 -5.846 611 1HA GLY 77 HA2 GLY 77 5.508 -12.570 -8.333 612 2HA GLY 77 HA1 GLY 77 3.791 -12.202 -8.434 613 H HIS 78 HN HIS 78 2.994 -10.314 -7.335 614 HA HIS 78 HA HIS 78 4.981 -8.430 -6.358 615 1HB HIS 78 HB1 HIS 78 3.483 -6.774 -7.984 616 2HB HIS 78 HB2 HIS 78 5.118 -7.334 -8.315 617 HD2 HIS 78 HD2 HIS 78 5.109 -7.922 -10.925 618 HE1 HIS 78 HE1 HIS 78 1.477 -10.095 -10.981 619 HE2 HIS 78 HE2 HIS 78 3.474 -9.342 -12.353 620 H GLU 79 HN GLU 79 4.145 -6.804 -5.046 621 HA GLU 79 HA GLU 79 1.436 -7.283 -4.086 622 1HB GLU 79 HB1 GLU 79 3.343 -5.359 -2.815 623 2HB GLU 79 HB2 GLU 79 2.121 -6.372 -2.063 624 1HG GLU 79 HG2 GLU 79 3.526 -8.091 -1.786 625 2HG GLU 79 HG1 GLU 79 4.291 -7.849 -3.357 626 H VAL 80 HN VAL 80 1.310 -6.219 -6.484 627 HA VAL 80 HA VAL 80 1.238 -3.308 -6.254 628 HB VAL 80 HB VAL 80 2.349 -3.922 -8.216 629 1HG1 VAL 80 HG2 VAL 80 1.842 -6.266 -8.283 630 2HG1 VAL 80 HG2 VAL 80 1.425 -5.562 -9.845 631 3HG1 VAL 80 HG2 VAL 80 0.155 -5.936 -8.681 632 1HG2 VAL 80 HG1 VAL 80 0.012 -2.498 -8.385 633 2HG2 VAL 80 HG1 VAL 80 -0.164 -3.686 -9.675 634 3HG2 VAL 80 HG1 VAL 80 1.237 -2.616 -9.647 635 H LEU 81 HN LEU 81 -0.574 -2.338 -5.735 636 HA LEU 81 HA LEU 81 -3.112 -3.439 -6.684 637 1HB LEU 81 HB1 LEU 81 -4.167 -2.806 -4.524 638 2HB LEU 81 HB2 LEU 81 -3.019 -4.123 -4.397 639 HG LEU 81 HG LEU 81 -2.319 -1.270 -3.716 640 1HD1 LEU 81 HD2 LEU 81 -3.268 -1.447 -1.719 641 2HD1 LEU 81 HD2 LEU 81 -2.571 -3.050 -1.458 642 3HD1 LEU 81 HD2 LEU 81 -4.105 -2.880 -2.319 643 1HD2 LEU 81 HD1 LEU 81 -0.826 -3.674 -3.984 644 2HD2 LEU 81 HD1 LEU 81 -0.835 -3.193 -2.287 645 3HD2 LEU 81 HD1 LEU 81 -0.272 -2.067 -3.519 646 H GLU 82 HN GLU 82 -1.180 -0.671 -5.765 647 HA GLU 82 HA GLU 82 -2.896 0.976 -7.445 648 1HB GLU 82 HB2 GLU 82 -3.462 0.968 -4.772 649 2HB GLU 82 HB1 GLU 82 -2.349 2.324 -4.894 650 1HG GLU 82 HG2 GLU 82 -4.271 2.444 -7.016 651 2HG GLU 82 HG1 GLU 82 -5.090 2.286 -5.462 652 H ILE 83 HN ILE 83 -1.923 2.791 -8.275 653 HA ILE 83 HA ILE 83 0.765 3.502 -7.394 654 HB ILE 83 HB ILE 83 0.197 2.821 -10.283 655 1HG1 ILE 83 HG1 ILE 83 2.318 1.272 -9.175 656 2HG1 ILE 83 HG1 ILE 83 0.926 1.124 -8.107 657 1HG2 ILE 83 HG2 ILE 83 2.289 4.323 -8.953 658 2HG2 ILE 83 HG2 ILE 83 1.907 4.192 -10.670 659 3HG2 ILE 83 HG2 ILE 83 2.929 2.979 -9.900 660 1HD1 ILE 83 HD1 ILE 83 1.056 0.475 -11.035 661 2HD1 ILE 83 HD1 ILE 83 -0.437 0.510 -10.099 662 3HD1 ILE 83 HD1 ILE 83 0.833 -0.642 -9.689 663 H GLU 84 HN GLU 84 0.954 5.671 -7.343 664 HA GLU 84 HA GLU 84 -0.330 7.308 -9.357 665 1HB GLU 84 HB2 GLU 84 -1.721 8.574 -7.939 666 2HB GLU 84 HB1 GLU 84 -2.032 6.901 -7.504 667 1HG GLU 84 HG1 GLU 84 -0.607 7.113 -5.556 668 2HG GLU 84 HG2 GLU 84 -0.215 8.772 -6.005 669 H GLU 85 HN GLU 85 0.081 9.727 -8.780 670 HA GLU 85 HA GLU 85 2.715 10.020 -7.513 671 1HB GLU 85 HB1 GLU 85 2.597 11.838 -9.689 672 2HB GLU 85 HB2 GLU 85 3.705 10.494 -9.457 673 1HG GLU 85 HG1 GLU 85 0.988 9.960 -10.553 674 2HG GLU 85 HG2 GLU 85 2.223 10.658 -11.600 675 H VAL 86 HN VAL 86 3.268 12.402 -7.227 676 HA VAL 86 HA VAL 86 0.839 13.963 -6.645 677 HB VAL 86 HB VAL 86 3.268 13.800 -4.857 678 1HG1 VAL 86 HG1 VAL 86 0.747 15.413 -4.787 679 2HG1 VAL 86 HG1 VAL 86 2.412 15.929 -4.521 680 3HG1 VAL 86 HG1 VAL 86 1.576 14.984 -3.290 681 1HG2 VAL 86 HG2 VAL 86 1.426 12.832 -3.283 682 2HG2 VAL 86 HG2 VAL 86 2.219 11.784 -4.458 683 3HG2 VAL 86 HG2 VAL 86 0.615 12.431 -4.798 684 H GLY 87 HN GLY 87 4.397 14.183 -6.871 685 1HA GLY 87 HA1 GLY 87 4.024 16.787 -8.218 686 2HA GLY 87 HA2 GLY 87 5.296 16.523 -7.036 687 HA PRO 88 HA PRO 88 7.362 15.926 -11.080 688 1HB PRO 88 HB2 PRO 88 9.868 16.399 -10.088 689 2HB PRO 88 HB1 PRO 88 8.775 17.668 -10.651 690 1HG PRO 88 HG2 PRO 88 9.327 16.738 -7.861 691 2HG PRO 88 HG1 PRO 88 9.132 18.391 -8.472 692 1HD PRO 88 HD1 PRO 88 7.153 17.108 -7.170 693 2HD PRO 88 HD2 PRO 88 6.824 18.245 -8.493 694 H SER 89 HN SER 89 9.546 15.042 -8.435 695 HA SER 89 HA SER 89 9.699 12.349 -9.567 696 1HB SER 89 HB1 SER 89 11.582 12.955 -7.416 697 2HB SER 89 HB2 SER 89 11.894 12.373 -9.052 698 HG SER 89 HG SER 89 11.473 15.051 -8.222 699 H GLU 90 HN GLU 90 8.153 13.941 -7.131 700 HA GLU 90 HA GLU 90 8.257 11.766 -5.198 701 1HB GLU 90 HB2 GLU 90 6.586 13.278 -3.965 702 2HB GLU 90 HB1 GLU 90 8.241 13.852 -4.123 703 1HG GLU 90 HG1 GLU 90 7.653 15.393 -5.805 704 2HG GLU 90 HG2 GLU 90 6.068 14.654 -6.031 705 H TRP 91 HN TRP 91 6.684 10.270 -4.899 706 HA TRP 91 HA TRP 91 4.069 10.644 -6.097 707 1HB TRP 91 HB1 TRP 91 4.422 8.207 -7.104 708 2HB TRP 91 HB2 TRP 91 4.837 9.654 -8.016 709 HD1 TRP 91 HD1 TRP 91 6.734 7.353 -5.511 710 HE1 TRP 91 HE1 TRP 91 9.102 6.970 -6.444 711 HE3 TRP 91 HE3 TRP 91 6.399 10.178 -9.758 712 HZ2 TRP 91 HZ2 TRP 91 10.626 7.761 -8.686 713 HZ3 TRP 91 HZ3 TRP 91 8.355 10.313 -11.243 714 HH2 TRP 91 HH2 TRP 91 10.424 9.128 -10.716 715 H LYS 92 HN LYS 92 2.662 8.674 -5.671 716 HA LYS 92 HA LYS 92 3.405 7.412 -3.122 717 1HB LYS 92 HB1 LYS 92 1.810 9.203 -2.670 718 2HB LYS 92 HB2 LYS 92 0.712 8.560 -3.883 719 1HG LYS 92 HG1 LYS 92 0.112 6.751 -2.572 720 2HG LYS 92 HG2 LYS 92 1.556 6.875 -1.566 721 1HD LYS 92 HD1 LYS 92 -0.116 7.697 -0.178 722 2HD LYS 92 HD2 LYS 92 0.590 9.164 -0.860 723 1HE LYS 92 HE2 LYS 92 -1.303 8.659 -2.702 724 2HE LYS 92 HE1 LYS 92 -2.076 7.966 -1.276 725 1HZ LYS 92 HZ1 LYS 92 -2.739 10.207 -1.381 726 2HZ LYS 92 HZ2 LYS 92 -1.165 10.758 -1.665 727 3HZ LYS 92 HZ3 LYS 92 -1.582 10.136 -0.149 728 H ILE 93 HN ILE 93 3.298 5.268 -3.179 729 HA ILE 93 HA ILE 93 1.567 4.009 -5.203 730 HB ILE 93 HB ILE 93 4.253 2.951 -4.323 731 1HG1 ILE 93 HG1 ILE 93 4.602 3.553 -6.929 732 2HG1 ILE 93 HG1 ILE 93 3.471 4.828 -6.483 733 1HG2 ILE 93 HG2 ILE 93 3.809 1.105 -5.495 734 2HG2 ILE 93 HG2 ILE 93 3.159 2.027 -6.853 735 3HG2 ILE 93 HG2 ILE 93 2.123 1.636 -5.478 736 1HD1 ILE 93 HD1 ILE 93 4.969 5.879 -5.149 737 2HD1 ILE 93 HD1 ILE 93 6.087 5.126 -6.286 738 3HD1 ILE 93 HD1 ILE 93 5.799 4.387 -4.711 739 H TYR 94 HN TYR 94 0.932 1.802 -4.692 740 HA TYR 94 HA TYR 94 0.751 1.339 -1.792 741 1HB TYR 94 HB1 TYR 94 -1.274 0.986 -3.980 742 2HB TYR 94 HB2 TYR 94 -1.387 0.041 -2.501 743 HD1 TYR 94 HD1 TYR 94 -3.028 0.843 -1.107 744 HD2 TYR 94 HD2 TYR 94 -0.636 3.636 -3.248 745 HE1 TYR 94 HE1 TYR 94 -4.214 2.694 -0.006 746 HE2 TYR 94 HE2 TYR 94 -1.816 5.495 -2.151 747 HH TYR 94 HH TYR 94 -4.518 4.904 0.067 748 H ILE 95 HN ILE 95 1.404 -0.538 -1.055 749 HA ILE 95 HA ILE 95 1.960 -2.740 -2.934 750 HB ILE 95 HB ILE 95 3.572 -1.683 -0.623 751 1HG1 ILE 95 HG1 ILE 95 4.029 -0.855 -2.915 752 2HG1 ILE 95 HG1 ILE 95 5.398 -1.722 -2.226 753 1HG2 ILE 95 HG2 ILE 95 3.177 -4.453 -1.260 754 2HG2 ILE 95 HG2 ILE 95 4.115 -3.724 0.042 755 3HG2 ILE 95 HG2 ILE 95 4.857 -3.994 -1.535 756 1HD1 ILE 95 HD1 ILE 95 3.432 -2.867 -4.194 757 2HD1 ILE 95 HD1 ILE 95 4.859 -3.676 -3.546 758 3HD1 ILE 95 HD1 ILE 95 5.043 -2.261 -4.582 759 H LYS 96 HN LYS 96 1.268 -4.795 -2.298 760 HA LYS 96 HA LYS 96 0.153 -5.058 0.400 761 1HB LYS 96 HB2 LYS 96 -1.808 -4.337 -0.586 762 2HB LYS 96 HB1 LYS 96 -1.444 -5.104 -2.125 763 1HG LYS 96 HG1 LYS 96 -1.705 -7.100 -0.086 764 2HG LYS 96 HG2 LYS 96 -3.118 -6.041 -0.086 765 1HD LYS 96 HD1 LYS 96 -2.705 -6.465 -2.758 766 2HD LYS 96 HD2 LYS 96 -2.253 -8.021 -2.056 767 1HE LYS 96 HE2 LYS 96 -4.486 -7.685 -0.707 768 2HE LYS 96 HE1 LYS 96 -4.885 -6.628 -2.061 769 1HZ LYS 96 HZ1 LYS 96 -5.562 -9.054 -2.231 770 2HZ LYS 96 HZ2 LYS 96 -3.924 -9.390 -2.486 771 3HZ LYS 96 HZ3 LYS 96 -4.759 -8.389 -3.563 772 H VAL 97 HN VAL 97 1.162 -6.802 1.144 773 HA VAL 97 HA VAL 97 2.134 -8.924 -0.463 774 HB VAL 97 HB VAL 97 1.528 -9.191 2.471 775 1HG1 VAL 97 HG2 VAL 97 3.966 -10.204 1.080 776 2HG1 VAL 97 HG2 VAL 97 2.438 -11.065 0.898 777 3HG1 VAL 97 HG2 VAL 97 3.136 -10.838 2.502 778 1HG2 VAL 97 HG1 VAL 97 3.053 -7.686 3.080 779 2HG2 VAL 97 HG1 VAL 97 2.985 -7.088 1.422 780 3HG2 VAL 97 HG1 VAL 97 4.212 -8.267 1.883 781 H LYS 98 HN LYS 98 0.943 -10.395 -1.472 782 HA LYS 98 HA LYS 98 -1.812 -10.795 -0.977 783 1HB LYS 98 HB2 LYS 98 0.247 -12.111 -2.696 784 2HB LYS 98 HB1 LYS 98 -1.293 -12.923 -2.456 785 1HG LYS 98 HG1 LYS 98 -2.141 -11.692 -4.083 786 2HG LYS 98 HG2 LYS 98 -1.912 -10.259 -3.076 787 1HD LYS 98 HD2 LYS 98 -0.670 -9.614 -4.868 788 2HD LYS 98 HD1 LYS 98 0.577 -10.510 -3.999 789 1HE LYS 98 HE1 LYS 98 0.662 -11.220 -6.264 790 2HE LYS 98 HE2 LYS 98 -0.074 -12.528 -5.338 791 1HZ LYS 98 HZ1 LYS 98 -1.476 -12.380 -7.124 792 2HZ LYS 98 HZ2 LYS 98 -1.311 -10.704 -7.278 793 3HZ LYS 98 HZ3 LYS 98 -2.264 -11.349 -6.039 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -34.390 21.001 12.770 2 2H GLY 1 HT2 GLY 1 -35.683 19.958 13.088 3 3H GLY 1 HT3 GLY 1 -34.901 19.902 11.589 4 1HA GLY 1 HA2 GLY 1 -33.916 18.985 14.218 5 2HA GLY 1 HA1 GLY 1 -34.065 18.063 12.729 6 H SER 2 HN SER 2 -32.027 17.437 12.316 7 HA SER 2 HA SER 2 -30.008 19.562 12.033 8 1HB SER 2 HB2 SER 2 -28.400 17.506 12.571 9 2HB SER 2 HB1 SER 2 -29.101 18.489 13.857 10 HG SER 2 HG SER 2 -29.963 16.714 14.544 11 H SER 3 HN SER 3 -29.949 16.081 11.333 12 HA SER 3 HA SER 3 -29.845 16.673 8.466 13 1HB SER 3 HB2 SER 3 -27.796 15.038 9.981 14 2HB SER 3 HB1 SER 3 -27.931 15.072 8.222 15 HG SER 3 HG SER 3 -27.714 17.456 8.524 16 H HIS 4 HN HIS 4 -31.193 15.403 7.385 17 HA HIS 4 HA HIS 4 -32.138 12.941 8.672 18 1HB HIS 4 HB2 HIS 4 -33.526 15.031 7.469 19 2HB HIS 4 HB1 HIS 4 -33.575 13.743 6.269 20 HD2 HIS 4 HD2 HIS 4 -34.806 11.328 7.183 21 HE1 HIS 4 HE1 HIS 4 -36.791 13.302 10.358 22 HE2 HIS 4 HE2 HIS 4 -36.663 11.171 8.989 23 H HIS 5 HN HIS 5 -29.712 13.613 6.787 24 HA HIS 5 HA HIS 5 -30.145 11.948 4.502 25 1HB HIS 5 HB1 HIS 5 -27.557 12.966 5.699 26 2HB HIS 5 HB2 HIS 5 -27.733 12.242 4.104 27 HD2 HIS 5 HD2 HIS 5 -30.128 13.892 2.840 28 HE1 HIS 5 HE1 HIS 5 -27.970 17.324 4.057 29 HE2 HIS 5 HE2 HIS 5 -29.807 16.449 2.543 30 H HIS 6 HN HIS 6 -30.816 9.939 5.252 31 HA HIS 6 HA HIS 6 -28.680 8.310 6.443 32 1HB HIS 6 HB2 HIS 6 -30.764 9.053 7.952 33 2HB HIS 6 HB1 HIS 6 -31.489 7.652 7.171 34 HD2 HIS 6 HD2 HIS 6 -28.750 8.520 9.777 35 HE1 HIS 6 HE1 HIS 6 -29.209 4.315 9.610 36 HE2 HIS 6 HE2 HIS 6 -28.114 6.242 10.844 37 H HIS 7 HN HIS 7 -29.117 8.455 3.742 38 HA HIS 7 HA HIS 7 -30.791 6.198 2.978 39 1HB HIS 7 HB1 HIS 7 -30.033 6.842 0.644 40 2HB HIS 7 HB2 HIS 7 -30.963 8.063 1.508 41 HD2 HIS 7 HD2 HIS 7 -29.844 10.489 1.467 42 HE1 HIS 7 HE1 HIS 7 -25.885 9.256 0.619 43 HE2 HIS 7 HE2 HIS 7 -27.416 11.250 0.960 44 H HIS 8 HN HIS 8 -28.352 5.816 4.588 45 HA HIS 8 HA HIS 8 -26.515 4.480 2.770 46 1HB HIS 8 HB1 HIS 8 -26.125 5.829 5.117 47 2HB HIS 8 HB2 HIS 8 -26.101 4.157 5.668 48 HD2 HIS 8 HD2 HIS 8 -23.944 2.629 4.821 49 HE1 HIS 8 HE1 HIS 8 -21.891 5.873 3.038 50 HE2 HIS 8 HE2 HIS 8 -21.718 3.452 3.772 51 H HIS 9 HN HIS 9 -27.339 2.604 2.021 52 HA HIS 9 HA HIS 9 -28.352 0.678 4.008 53 1HB HIS 9 HB1 HIS 9 -29.534 -0.385 2.045 54 2HB HIS 9 HB2 HIS 9 -30.128 1.208 2.502 55 HD2 HIS 9 HD2 HIS 9 -31.085 1.397 -0.170 56 HE1 HIS 9 HE1 HIS 9 -27.208 2.004 -1.759 57 HE2 HIS 9 HE2 HIS 9 -29.696 2.123 -2.238 58 H SER 10 HN SER 10 -25.611 0.965 3.583 59 HA SER 10 HA SER 10 -24.719 -1.062 1.732 60 1HB SER 10 HB1 SER 10 -23.436 0.917 3.536 61 2HB SER 10 HB2 SER 10 -22.512 -0.546 3.194 62 HG SER 10 HG SER 10 -22.961 1.589 1.616 63 H SER 11 HN SER 11 -22.694 -2.322 3.104 64 HA SER 11 HA SER 11 -24.199 -4.276 4.611 65 1HB SER 11 HB1 SER 11 -21.645 -4.173 3.202 66 2HB SER 11 HB2 SER 11 -21.525 -5.018 4.745 67 HG SER 11 HG SER 11 -23.747 -5.830 3.567 68 H GLY 12 HN GLY 12 -23.744 -1.569 5.774 69 1HA GLY 12 HA2 GLY 12 -21.886 -1.990 7.950 70 2HA GLY 12 HA1 GLY 12 -22.900 -0.576 7.697 71 H LEU 13 HN LEU 13 -22.665 -3.726 9.141 72 HA LEU 13 HA LEU 13 -25.356 -3.896 10.054 73 1HB LEU 13 HB1 LEU 13 -22.799 -5.310 10.699 74 2HB LEU 13 HB2 LEU 13 -24.183 -5.524 11.753 75 HG LEU 13 HG LEU 13 -24.092 -7.343 10.176 76 1HD1 LEU 13 HD2 LEU 13 -26.298 -7.117 9.107 77 2HD1 LEU 13 HD2 LEU 13 -26.294 -5.399 9.504 78 3HD1 LEU 13 HD2 LEU 13 -26.306 -6.602 10.794 79 1HD2 LEU 13 HD1 LEU 13 -24.447 -6.805 7.716 80 2HD2 LEU 13 HD1 LEU 13 -22.837 -6.513 8.377 81 3HD2 LEU 13 HD1 LEU 13 -23.943 -5.163 8.118 82 H VAL 14 HN VAL 14 -25.360 -4.389 12.687 83 HA VAL 14 HA VAL 14 -25.443 -1.853 13.862 84 HB VAL 14 HB VAL 14 -25.270 -4.516 15.274 85 1HG1 VAL 14 HG1 VAL 14 -24.970 -3.113 17.031 86 2HG1 VAL 14 HG1 VAL 14 -26.726 -2.987 16.913 87 3HG1 VAL 14 HG1 VAL 14 -25.702 -1.740 16.202 88 1HG2 VAL 14 HG2 VAL 14 -27.673 -4.504 15.300 89 2HG2 VAL 14 HG2 VAL 14 -27.124 -4.329 13.633 90 3HG2 VAL 14 HG2 VAL 14 -27.715 -2.923 14.519 91 HA PRO 15 HA PRO 15 -21.272 -2.929 16.064 92 1HB PRO 15 HB2 PRO 15 -19.737 -4.882 14.980 93 2HB PRO 15 HB1 PRO 15 -20.937 -5.194 16.239 94 1HG PRO 15 HG2 PRO 15 -21.149 -5.581 13.277 95 2HG PRO 15 HG1 PRO 15 -21.686 -6.651 14.585 96 1HD PRO 15 HD1 PRO 15 -23.383 -5.021 13.242 97 2HD PRO 15 HD2 PRO 15 -23.613 -5.441 14.951 98 H ARG 16 HN ARG 16 -19.354 -1.882 15.630 99 HA ARG 16 HA ARG 16 -19.126 -0.713 12.988 100 1HB ARG 16 HB1 ARG 16 -17.355 -0.249 15.389 101 2HB ARG 16 HB2 ARG 16 -17.526 0.781 13.976 102 1HG ARG 16 HG2 ARG 16 -20.096 0.630 14.906 103 2HG ARG 16 HG1 ARG 16 -19.145 0.631 16.393 104 1HD ARG 16 HD1 ARG 16 -18.390 2.745 16.072 105 2HD ARG 16 HD2 ARG 16 -18.358 2.582 14.317 106 HE ARG 16 HE ARG 16 -21.010 2.591 14.948 107 1HH1 ARG 16 HH2 ARG 16 -18.334 4.737 15.563 108 2HH1 ARG 16 HH2 ARG 16 -19.317 6.163 15.591 109 1HH2 ARG 16 HH1 ARG 16 -22.310 4.463 14.984 110 2HH2 ARG 16 HH1 ARG 16 -21.576 6.007 15.263 111 H GLY 17 HN GLY 17 -18.537 -3.563 13.231 112 1HA GLY 17 HA2 GLY 17 -15.859 -4.217 13.394 113 2HA GLY 17 HA1 GLY 17 -17.020 -5.052 12.375 114 H SER 18 HN SER 18 -14.522 -5.027 11.495 115 HA SER 18 HA SER 18 -13.960 -2.766 9.804 116 1HB SER 18 HB1 SER 18 -12.095 -4.283 8.974 117 2HB SER 18 HB2 SER 18 -12.068 -3.898 10.695 118 HG SER 18 HG SER 18 -11.791 -6.197 9.994 119 H HIS 19 HN HIS 19 -16.515 -4.039 9.257 120 HA HIS 19 HA HIS 19 -16.250 -5.639 6.899 121 1HB HIS 19 HB1 HIS 19 -18.694 -4.178 7.921 122 2HB HIS 19 HB2 HIS 19 -18.670 -5.519 6.780 123 HD2 HIS 19 HD2 HIS 19 -19.386 -7.778 7.987 124 HE1 HIS 19 HE1 HIS 19 -17.787 -6.914 11.811 125 HE2 HIS 19 HE2 HIS 19 -19.046 -8.619 10.419 126 H MET 20 HN MET 20 -15.001 -2.923 6.904 127 HA MET 20 HA MET 20 -16.533 -1.375 5.015 128 1HB MET 20 HB2 MET 20 -14.300 -0.933 6.742 129 2HB MET 20 HB1 MET 20 -13.824 -0.504 5.106 130 1HG MET 20 HG1 MET 20 -16.436 0.535 5.690 131 2HG MET 20 HG2 MET 20 -15.280 1.036 6.922 132 1HE MET 20 HE1 MET 20 -15.527 2.405 2.591 133 2HE MET 20 HE2 MET 20 -16.856 2.065 3.701 134 3HE MET 20 HE3 MET 20 -15.870 0.743 3.075 135 H ALA 21 HN ALA 21 -14.690 -0.438 3.237 136 HA ALA 21 HA ALA 21 -14.630 -2.496 1.281 137 1HB ALA 21 HB1 ALA 21 -13.041 -0.642 0.185 138 2HB ALA 21 HB2 ALA 21 -13.828 0.345 1.417 139 3HB ALA 21 HB3 ALA 21 -14.800 -0.506 0.215 140 H LYS 22 HN LYS 22 -12.316 -2.433 -0.045 141 HA LYS 22 HA LYS 22 -10.502 -3.784 1.789 142 1HB LYS 22 HB1 LYS 22 -10.003 -3.565 -1.155 143 2HB LYS 22 HB2 LYS 22 -9.592 -4.873 -0.055 144 1HG LYS 22 HG1 LYS 22 -12.065 -5.335 0.126 145 2HG LYS 22 HG2 LYS 22 -12.280 -4.213 -1.219 146 1HD LYS 22 HD2 LYS 22 -10.412 -5.720 -2.319 147 2HD LYS 22 HD1 LYS 22 -11.029 -6.913 -1.175 148 1HE LYS 22 HE1 LYS 22 -12.648 -5.418 -3.235 149 2HE LYS 22 HE2 LYS 22 -12.153 -7.108 -3.328 150 1HZ LYS 22 HZ1 LYS 22 -13.699 -6.205 -1.002 151 2HZ LYS 22 HZ2 LYS 22 -13.646 -7.731 -1.730 152 3HZ LYS 22 HZ3 LYS 22 -14.505 -6.472 -2.464 153 H TYR 23 HN TYR 23 -10.864 -0.818 1.552 154 HA TYR 23 HA TYR 23 -8.127 -0.047 0.815 155 1HB TYR 23 HB2 TYR 23 -10.452 1.125 0.062 156 2HB TYR 23 HB1 TYR 23 -10.086 2.060 1.509 157 HD1 TYR 23 HD1 TYR 23 -9.076 4.072 1.048 158 HD2 TYR 23 HD2 TYR 23 -8.094 0.705 -1.359 159 HE1 TYR 23 HE1 TYR 23 -7.506 5.458 -0.240 160 HE2 TYR 23 HE2 TYR 23 -6.521 2.080 -2.654 161 HH TYR 23 HH TYR 23 -6.429 4.846 -3.097 162 H GLN 24 HN GLN 24 -8.449 -1.452 3.195 163 HA GLN 24 HA GLN 24 -8.234 0.608 5.278 164 1HB GLN 24 HB1 GLN 24 -9.608 -1.810 5.235 165 2HB GLN 24 HB2 GLN 24 -8.188 -2.148 6.213 166 1HG GLN 24 HG1 GLN 24 -9.613 0.355 6.829 167 2HG GLN 24 HG2 GLN 24 -10.472 -1.142 7.190 168 1HE2 GLN 24 HE2 GLN 24 -9.595 -2.584 8.703 169 2HE2 GLN 24 HE2 GLN 24 -8.421 -2.072 9.863 170 H VAL 25 HN VAL 25 -6.075 1.151 4.483 171 HA VAL 25 HA VAL 25 -3.930 -0.654 4.441 172 HB VAL 25 HB VAL 25 -3.899 2.297 4.969 173 1HG1 VAL 25 HG2 VAL 25 -1.627 0.471 4.213 174 2HG1 VAL 25 HG2 VAL 25 -1.854 1.241 5.783 175 3HG1 VAL 25 HG2 VAL 25 -1.537 2.226 4.356 176 1HG2 VAL 25 HG1 VAL 25 -3.536 2.607 2.667 177 2HG2 VAL 25 HG1 VAL 25 -4.844 1.430 2.774 178 3HG2 VAL 25 HG1 VAL 25 -3.204 0.894 2.410 179 H THR 26 HN THR 26 -2.601 -1.452 5.985 180 HA THR 26 HA THR 26 -3.311 -0.862 8.761 181 HB THR 26 HB THR 26 -1.382 -3.025 8.180 182 HG1 THR 26 HG1 THR 26 -2.687 -4.234 7.030 183 1HG2 THR 26 HG2 THR 26 -2.724 -2.451 10.370 184 2HG2 THR 26 HG2 THR 26 -2.351 -4.114 9.916 185 3HG2 THR 26 HG2 THR 26 -3.951 -3.449 9.589 186 H LYS 27 HN LYS 27 -0.345 -1.437 6.847 187 HA LYS 27 HA LYS 27 1.078 0.305 8.749 188 1HB LYS 27 HB2 LYS 27 1.743 -2.263 7.594 189 2HB LYS 27 HB1 LYS 27 2.996 -1.078 7.276 190 1HG LYS 27 HG1 LYS 27 3.349 -2.394 9.316 191 2HG LYS 27 HG2 LYS 27 3.255 -0.658 9.619 192 1HD LYS 27 HD1 LYS 27 1.633 -1.022 11.097 193 2HD LYS 27 HD2 LYS 27 0.630 -1.700 9.813 194 1HE LYS 27 HE2 LYS 27 1.228 -3.875 10.311 195 2HE LYS 27 HE1 LYS 27 2.730 -3.391 11.097 196 1HZ LYS 27 HZ1 LYS 27 1.626 -3.653 12.994 197 2HZ LYS 27 HZ2 LYS 27 0.125 -3.745 12.221 198 3HZ LYS 27 HZ3 LYS 27 0.782 -2.237 12.616 199 H THR 28 HN THR 28 2.214 2.029 8.028 200 HA THR 28 HA THR 28 2.277 2.495 5.118 201 HB THR 28 HB THR 28 1.832 4.573 7.271 202 HG1 THR 28 HG1 THR 28 -0.033 3.877 5.293 203 1HG2 THR 28 HG2 THR 28 1.335 6.107 5.470 204 2HG2 THR 28 HG2 THR 28 1.713 4.858 4.282 205 3HG2 THR 28 HG2 THR 28 2.983 5.494 5.330 206 H LEU 29 HN LEU 29 4.247 2.863 4.307 207 HA LEU 29 HA LEU 29 6.409 3.477 6.206 208 1HB LEU 29 HB1 LEU 29 6.477 1.301 4.927 209 2HB LEU 29 HB2 LEU 29 6.698 2.250 3.470 210 HG LEU 29 HG LEU 29 8.721 3.272 4.778 211 1HD1 LEU 29 HD2 LEU 29 8.597 2.398 6.900 212 2HD1 LEU 29 HD2 LEU 29 9.732 1.289 6.130 213 3HD1 LEU 29 HD2 LEU 29 8.045 0.821 6.336 214 1HD2 LEU 29 HD1 LEU 29 10.156 1.411 3.928 215 2HD2 LEU 29 HD1 LEU 29 9.021 2.061 2.746 216 3HD2 LEU 29 HD1 LEU 29 8.680 0.526 3.545 217 H ASP 30 HN ASP 30 7.195 5.453 6.134 218 HA ASP 30 HA ASP 30 6.977 6.982 3.628 219 1HB ASP 30 HB2 ASP 30 7.142 9.004 5.016 220 2HB ASP 30 HB1 ASP 30 5.792 7.994 5.524 221 H VAL 31 HN VAL 31 8.780 7.533 2.581 222 HA VAL 31 HA VAL 31 11.344 7.178 3.985 223 HB VAL 31 HB VAL 31 10.907 6.882 1.018 224 1HG1 VAL 31 HG2 VAL 31 13.150 7.208 1.175 225 2HG1 VAL 31 HG2 VAL 31 13.113 5.481 1.528 226 3HG1 VAL 31 HG2 VAL 31 13.226 6.647 2.845 227 1HG2 VAL 31 HG1 VAL 31 10.014 5.139 3.001 228 2HG2 VAL 31 HG1 VAL 31 11.513 4.427 2.402 229 3HG2 VAL 31 HG1 VAL 31 10.201 4.791 1.282 230 H ARG 32 HN ARG 32 9.387 9.259 2.050 231 HA ARG 32 HA ARG 32 11.245 11.000 0.980 232 1HB ARG 32 HB1 ARG 32 9.401 12.734 1.170 233 2HB ARG 32 HB2 ARG 32 8.992 11.250 0.321 234 1HG ARG 32 HG2 ARG 32 7.155 11.368 1.613 235 2HG ARG 32 HG1 ARG 32 8.204 10.570 2.786 236 1HD ARG 32 HD1 ARG 32 6.827 12.719 3.429 237 2HD ARG 32 HD2 ARG 32 8.452 12.452 4.057 238 HE ARG 32 HE ARG 32 9.199 14.233 2.814 239 1HH1 ARG 32 HH1 ARG 32 5.990 13.357 1.775 240 2HH1 ARG 32 HH1 ARG 32 5.789 14.762 0.783 241 1HH2 ARG 32 HH2 ARG 32 8.942 16.086 1.510 242 2HH2 ARG 32 HH2 ARG 32 7.466 16.313 0.633 243 H GLY 33 HN GLY 33 10.756 10.445 4.289 244 1HA GLY 33 HA2 GLY 33 11.317 13.111 5.211 245 2HA GLY 33 HA1 GLY 33 11.248 11.657 6.194 246 H GLU 34 HN GLU 34 13.114 10.435 6.522 247 HA GLU 34 HA GLU 34 15.561 11.941 6.316 248 1HB GLU 34 HB2 GLU 34 14.674 9.453 7.680 249 2HB GLU 34 HB1 GLU 34 16.389 9.600 7.326 250 1HG GLU 34 HG1 GLU 34 16.675 11.382 8.749 251 2HG GLU 34 HG2 GLU 34 14.977 11.853 8.670 252 H VAL 35 HN VAL 35 17.601 10.545 5.743 253 HA VAL 35 HA VAL 35 17.076 9.253 3.150 254 HB VAL 35 HB VAL 35 19.771 10.124 3.318 255 1HG1 VAL 35 HG2 VAL 35 17.886 11.501 1.523 256 2HG1 VAL 35 HG2 VAL 35 17.932 9.743 1.396 257 3HG1 VAL 35 HG2 VAL 35 19.406 10.682 1.163 258 1HG2 VAL 35 HG1 VAL 35 18.972 12.646 3.126 259 2HG2 VAL 35 HG1 VAL 35 19.434 11.927 4.669 260 3HG2 VAL 35 HG1 VAL 35 17.730 12.063 4.235 261 H CYS 36 HN CYS 36 19.297 8.047 2.507 262 HA CYS 36 HA CYS 36 19.383 5.706 3.977 263 1HB CYS 36 HB1 CYS 36 21.521 5.247 2.765 264 2HB CYS 36 HB2 CYS 36 20.217 5.785 1.711 265 HG CYS 36 HG CYS 36 21.562 7.715 1.035 266 HA PRO 37 HA PRO 37 20.871 4.136 4.277 267 1HB PRO 37 HB2 PRO 37 21.882 2.506 6.119 268 2HB PRO 37 HB1 PRO 37 22.950 3.454 5.077 269 1HG PRO 37 HG2 PRO 37 22.186 3.904 7.926 270 2HG PRO 37 HG1 PRO 37 23.743 4.177 7.126 271 1HD PRO 37 HD1 PRO 37 21.785 6.120 7.666 272 2HD PRO 37 HD2 PRO 37 23.175 6.306 6.579 273 H VAL 38 HN VAL 38 19.234 5.783 6.399 274 HA VAL 38 HA VAL 38 17.996 3.993 8.149 275 HB VAL 38 HB VAL 38 16.688 6.413 6.912 276 1HG1 VAL 38 HG2 VAL 38 15.508 6.465 9.126 277 2HG1 VAL 38 HG2 VAL 38 16.187 4.870 9.450 278 3HG1 VAL 38 HG2 VAL 38 15.087 5.100 8.090 279 1HG2 VAL 38 HG1 VAL 38 18.694 6.150 9.121 280 2HG2 VAL 38 HG1 VAL 38 17.535 7.481 9.102 281 3HG2 VAL 38 HG1 VAL 38 18.669 7.280 7.767 282 HA PRO 39 HA PRO 39 14.493 3.423 4.812 283 1HB PRO 39 HB2 PRO 39 15.908 4.054 2.299 284 2HB PRO 39 HB1 PRO 39 14.288 4.521 2.825 285 1HG PRO 39 HG2 PRO 39 16.280 6.303 2.724 286 2HG PRO 39 HG1 PRO 39 15.057 6.356 4.007 287 1HD PRO 39 HD1 PRO 39 17.859 5.301 4.106 288 2HD PRO 39 HD2 PRO 39 16.978 6.270 5.305 289 H ASP 40 HN ASP 40 17.857 2.729 4.265 290 HA ASP 40 HA ASP 40 17.614 0.515 2.558 291 1HB ASP 40 HB2 ASP 40 19.700 1.875 3.846 292 2HB ASP 40 HB1 ASP 40 19.809 0.214 4.423 293 H VAL 41 HN VAL 41 18.316 0.437 6.058 294 HA VAL 41 HA VAL 41 17.686 -2.324 6.289 295 HB VAL 41 HB VAL 41 17.783 -0.333 8.549 296 1HG1 VAL 41 HG2 VAL 41 17.606 -3.240 8.342 297 2HG1 VAL 41 HG2 VAL 41 17.227 -2.174 9.694 298 3HG1 VAL 41 HG2 VAL 41 18.893 -2.680 9.410 299 1HG2 VAL 41 HG1 VAL 41 20.044 -1.767 7.165 300 2HG2 VAL 41 HG1 VAL 41 20.188 -0.966 8.730 301 3HG2 VAL 41 HG1 VAL 41 19.798 -0.025 7.291 302 H GLU 42 HN GLU 42 15.843 0.616 6.648 303 HA GLU 42 HA GLU 42 13.683 -0.380 8.134 304 1HB GLU 42 HB1 GLU 42 14.135 2.032 7.663 305 2HB GLU 42 HB2 GLU 42 13.590 1.770 6.011 306 1HG GLU 42 HG2 GLU 42 11.380 1.384 6.680 307 2HG GLU 42 HG1 GLU 42 11.843 1.145 8.364 308 H THR 43 HN THR 43 13.925 0.087 4.603 309 HA THR 43 HA THR 43 11.490 -1.175 4.006 310 HB THR 43 HB THR 43 12.819 0.344 2.484 311 HG1 THR 43 HG1 THR 43 11.787 -2.124 1.586 312 1HG2 THR 43 HG2 THR 43 15.002 -0.655 2.580 313 2HG2 THR 43 HG2 THR 43 14.386 -0.724 0.929 314 3HG2 THR 43 HG2 THR 43 14.370 -2.171 1.936 315 H LYS 44 HN LYS 44 14.794 -2.435 4.178 316 HA LYS 44 HA LYS 44 14.375 -4.975 3.149 317 1HB LYS 44 HB1 LYS 44 16.389 -3.653 4.750 318 2HB LYS 44 HB2 LYS 44 16.156 -5.306 5.302 319 1HG LYS 44 HG2 LYS 44 17.818 -5.522 3.715 320 2HG LYS 44 HG1 LYS 44 16.361 -5.927 2.805 321 1HD LYS 44 HD1 LYS 44 16.425 -3.282 2.376 322 2HD LYS 44 HD2 LYS 44 18.152 -3.585 2.582 323 1HE LYS 44 HE1 LYS 44 18.314 -4.580 0.593 324 2HE LYS 44 HE2 LYS 44 16.883 -5.567 0.886 325 1HZ LYS 44 HZ1 LYS 44 15.988 -2.981 0.465 326 2HZ LYS 44 HZ2 LYS 44 15.822 -4.307 -0.573 327 3HZ LYS 44 HZ3 LYS 44 17.148 -3.268 -0.731 328 H ARG 45 HN ARG 45 13.893 -3.798 6.457 329 HA ARG 45 HA ARG 45 13.131 -6.285 7.559 330 1HB ARG 45 HB1 ARG 45 13.815 -4.144 8.776 331 2HB ARG 45 HB2 ARG 45 12.153 -3.623 8.546 332 1HG ARG 45 HG2 ARG 45 12.675 -6.282 9.780 333 2HG ARG 45 HG1 ARG 45 12.900 -4.823 10.748 334 1HD ARG 45 HD2 ARG 45 10.450 -4.538 9.380 335 2HD ARG 45 HD1 ARG 45 10.476 -6.167 10.052 336 HE ARG 45 HE ARG 45 10.948 -5.091 12.233 337 1HH1 ARG 45 HH1 ARG 45 9.454 -3.253 9.680 338 2HH1 ARG 45 HH1 ARG 45 8.691 -2.132 10.757 339 1HH2 ARG 45 HH2 ARG 45 9.948 -3.620 13.661 340 2HH2 ARG 45 HH2 ARG 45 8.971 -2.340 13.020 341 H ALA 46 HN ALA 46 11.405 -3.774 5.845 342 HA ALA 46 HA ALA 46 8.772 -4.491 6.451 343 1HB ALA 46 HB1 ALA 46 9.654 -3.422 3.784 344 2HB ALA 46 HB2 ALA 46 9.571 -2.423 5.236 345 3HB ALA 46 HB3 ALA 46 8.111 -3.183 4.603 346 H LEU 47 HN LEU 47 10.910 -5.619 3.846 347 HA LEU 47 HA LEU 47 8.965 -7.377 2.718 348 1HB LEU 47 HB2 LEU 47 11.951 -7.173 2.394 349 2HB LEU 47 HB1 LEU 47 10.981 -8.359 1.545 350 HG LEU 47 HG LEU 47 11.175 -6.714 -0.049 351 1HD1 LEU 47 HD2 LEU 47 8.824 -7.132 0.211 352 2HD1 LEU 47 HD2 LEU 47 9.066 -5.421 -0.138 353 3HD1 LEU 47 HD2 LEU 47 8.715 -5.943 1.510 354 1HD2 LEU 47 HD1 LEU 47 12.319 -5.170 1.622 355 2HD2 LEU 47 HD1 LEU 47 10.713 -4.502 1.920 356 3HD2 LEU 47 HD1 LEU 47 11.418 -4.418 0.304 357 H GLN 48 HN GLN 48 11.092 -7.557 5.389 358 HA GLN 48 HA GLN 48 11.284 -10.427 5.439 359 1HB GLN 48 HB2 GLN 48 13.136 -9.628 6.482 360 2HB GLN 48 HB1 GLN 48 12.332 -8.160 7.015 361 1HG GLN 48 HG2 GLN 48 11.876 -8.998 9.024 362 2HG GLN 48 HG1 GLN 48 11.373 -10.555 8.367 363 1HE2 GLN 48 HE2 GLN 48 13.984 -8.703 9.668 364 2HE2 GLN 48 HE2 GLN 48 15.108 -10.005 9.827 365 H ASN 49 HN ASN 49 9.335 -7.957 7.037 366 HA ASN 49 HA ASN 49 7.911 -10.075 8.492 367 1HB ASN 49 HB1 ASN 49 7.198 -8.421 10.060 368 2HB ASN 49 HB2 ASN 49 8.918 -8.166 9.791 369 1HD2 ASN 49 HD2 ASN 49 8.364 -6.951 7.134 370 2HD2 ASN 49 HD2 ASN 49 7.812 -5.352 7.483 371 H MET 50 HN MET 50 7.260 -10.034 5.875 372 HA MET 50 HA MET 50 4.866 -8.414 5.536 373 1HB MET 50 HB1 MET 50 4.782 -9.542 3.284 374 2HB MET 50 HB2 MET 50 6.209 -8.561 3.580 375 1HG MET 50 HG2 MET 50 7.352 -10.727 4.260 376 2HG MET 50 HG1 MET 50 5.964 -11.544 3.543 377 1HE MET 50 HE1 MET 50 6.347 -11.222 -0.162 378 2HE MET 50 HE2 MET 50 5.194 -10.341 0.840 379 3HE MET 50 HE3 MET 50 5.603 -12.013 1.228 380 H LYS 51 HN LYS 51 2.876 -9.098 5.962 381 HA LYS 51 HA LYS 51 2.483 -11.883 6.730 382 1HB LYS 51 HB2 LYS 51 1.615 -9.504 7.808 383 2HB LYS 51 HB1 LYS 51 0.190 -10.090 6.969 384 1HG LYS 51 HG1 LYS 51 -0.232 -11.471 8.645 385 2HG LYS 51 HG2 LYS 51 1.329 -12.260 8.402 386 1HD LYS 51 HD2 LYS 51 2.119 -10.030 9.692 387 2HD LYS 51 HD1 LYS 51 0.510 -10.240 10.390 388 1HE LYS 51 HE2 LYS 51 1.428 -11.709 11.788 389 2HE LYS 51 HE1 LYS 51 1.593 -12.790 10.405 390 1HZ LYS 51 HZ1 LYS 51 3.632 -11.882 11.931 391 2HZ LYS 51 HZ2 LYS 51 3.701 -10.844 10.597 392 3HZ LYS 51 HZ3 LYS 51 3.792 -12.517 10.372 393 HA PRO 52 HA PRO 52 0.417 -13.503 3.211 394 1HB PRO 52 HB1 PRO 52 -1.958 -13.716 5.030 395 2HB PRO 52 HB2 PRO 52 -1.321 -14.897 3.880 396 1HG PRO 52 HG2 PRO 52 -0.794 -15.110 6.485 397 2HG PRO 52 HG1 PRO 52 0.436 -15.498 5.268 398 1HD PRO 52 HD1 PRO 52 0.265 -13.184 7.102 399 2HD PRO 52 HD2 PRO 52 1.686 -13.907 6.325 400 H GLY 53 HN GLY 53 -2.220 -11.861 4.986 401 1HA GLY 53 HA1 GLY 53 -2.926 -10.510 2.466 402 2HA GLY 53 HA2 GLY 53 -4.037 -10.840 3.785 403 H GLU 54 HN GLU 54 -0.908 -9.165 3.419 404 HA GLU 54 HA GLU 54 -1.851 -7.113 5.265 405 1HB GLU 54 HB2 GLU 54 0.760 -8.087 4.379 406 2HB GLU 54 HB1 GLU 54 0.669 -6.332 4.484 407 1HG GLU 54 HG1 GLU 54 -0.217 -8.118 6.719 408 2HG GLU 54 HG2 GLU 54 1.456 -7.588 6.541 409 H ILE 55 HN ILE 55 -1.849 -4.897 4.814 410 HA ILE 55 HA ILE 55 -1.744 -4.133 1.976 411 HB ILE 55 HB ILE 55 -3.721 -2.707 3.651 412 1HG1 ILE 55 HG1 ILE 55 -4.057 -5.152 4.199 413 2HG1 ILE 55 HG1 ILE 55 -5.448 -4.348 3.479 414 1HG2 ILE 55 HG2 ILE 55 -5.000 -2.930 1.453 415 2HG2 ILE 55 HG2 ILE 55 -3.502 -3.588 0.792 416 3HG2 ILE 55 HG2 ILE 55 -3.532 -1.951 1.448 417 1HD1 ILE 55 HD1 ILE 55 -4.729 -5.311 1.276 418 2HD1 ILE 55 HD1 ILE 55 -5.280 -6.477 2.478 419 3HD1 ILE 55 HD1 ILE 55 -3.555 -6.276 2.171 420 H LEU 56 HN LEU 56 -0.103 -2.716 1.835 421 HA LEU 56 HA LEU 56 0.243 -0.790 4.031 422 1HB LEU 56 HB2 LEU 56 2.503 -1.462 2.217 423 2HB LEU 56 HB1 LEU 56 2.529 -0.984 3.902 424 HG LEU 56 HG LEU 56 1.659 -3.694 2.898 425 1HD1 LEU 56 HD1 LEU 56 3.772 -4.396 2.998 426 2HD1 LEU 56 HD1 LEU 56 4.052 -3.579 4.535 427 3HD1 LEU 56 HD1 LEU 56 4.233 -2.695 3.019 428 1HD2 LEU 56 HD2 LEU 56 1.942 -2.485 5.625 429 2HD2 LEU 56 HD2 LEU 56 2.003 -4.229 5.369 430 3HD2 LEU 56 HD2 LEU 56 0.558 -3.322 4.921 431 H GLU 57 HN GLU 57 1.040 1.284 3.530 432 HA GLU 57 HA GLU 57 0.589 2.143 0.749 433 1HB GLU 57 HB2 GLU 57 -1.203 3.084 1.971 434 2HB GLU 57 HB1 GLU 57 -0.171 3.489 3.335 435 1HG GLU 57 HG2 GLU 57 1.017 5.079 1.715 436 2HG GLU 57 HG1 GLU 57 -0.390 4.850 0.676 437 H VAL 58 HN VAL 58 2.321 3.029 -0.186 438 HA VAL 58 HA VAL 58 4.542 3.842 1.568 439 HB VAL 58 HB VAL 58 5.061 3.152 -1.276 440 1HG1 VAL 58 HG2 VAL 58 6.546 3.600 1.111 441 2HG1 VAL 58 HG2 VAL 58 7.143 3.313 -0.524 442 3HG1 VAL 58 HG2 VAL 58 6.848 1.952 0.559 443 1HG2 VAL 58 HG1 VAL 58 5.407 0.734 -0.048 444 2HG2 VAL 58 HG1 VAL 58 4.049 1.162 -1.088 445 3HG2 VAL 58 HG1 VAL 58 3.897 1.300 0.663 446 H TRP 59 HN TRP 59 5.538 5.740 1.312 447 HA TRP 59 HA TRP 59 4.663 7.496 -0.894 448 1HB TRP 59 HB1 TRP 59 4.971 8.058 2.037 449 2HB TRP 59 HB2 TRP 59 5.278 9.349 0.880 450 HD1 TRP 59 HD1 TRP 59 2.422 6.737 0.704 451 HE1 TRP 59 HE1 TRP 59 0.185 8.010 0.698 452 HE3 TRP 59 HE3 TRP 59 4.189 11.495 1.340 453 HZ2 TRP 59 HZ2 TRP 59 -0.713 10.675 0.932 454 HZ3 TRP 59 HZ3 TRP 59 2.573 13.348 1.438 455 HH2 TRP 59 HH2 TRP 59 0.174 12.945 1.238 456 H ILE 60 HN ILE 60 6.372 7.522 -2.262 457 HA ILE 60 HA ILE 60 8.973 8.307 -1.177 458 HB ILE 60 HB ILE 60 9.344 6.299 -3.234 459 1HG1 ILE 60 HG1 ILE 60 8.904 4.440 -1.401 460 2HG1 ILE 60 HG1 ILE 60 7.705 5.598 -0.834 461 1HG2 ILE 60 HG2 ILE 60 10.526 7.178 -0.714 462 2HG2 ILE 60 HG2 ILE 60 11.292 6.570 -2.181 463 3HG2 ILE 60 HG2 ILE 60 10.645 5.440 -0.991 464 1HD1 ILE 60 HD1 ILE 60 7.289 3.692 -2.730 465 2HD1 ILE 60 HD1 ILE 60 7.607 5.124 -3.709 466 3HD1 ILE 60 HD1 ILE 60 6.313 5.145 -2.511 467 H ASP 61 HN ASP 61 10.566 8.334 -3.233 468 HA ASP 61 HA ASP 61 9.164 9.516 -5.517 469 1HB ASP 61 HB2 ASP 61 11.114 11.264 -5.480 470 2HB ASP 61 HB1 ASP 61 9.703 11.506 -4.455 471 H TYR 62 HN TYR 62 10.640 6.979 -4.977 472 HA TYR 62 HA TYR 62 12.868 7.304 -6.862 473 1HB TYR 62 HB1 TYR 62 12.553 5.743 -4.455 474 2HB TYR 62 HB2 TYR 62 12.976 4.705 -5.813 475 HD1 TYR 62 HD1 TYR 62 15.170 4.699 -6.712 476 HD2 TYR 62 HD2 TYR 62 14.057 7.658 -3.864 477 HE1 TYR 62 HE1 TYR 62 17.526 5.369 -6.494 478 HE2 TYR 62 HE2 TYR 62 16.410 8.335 -3.639 479 HH TYR 62 HH TYR 62 18.486 8.059 -4.384 480 HA PRO 63 HA PRO 63 10.109 5.659 -5.164 481 1HB PRO 63 HB2 PRO 63 8.107 3.903 -5.203 482 2HB PRO 63 HB1 PRO 63 7.978 5.438 -6.070 483 1HG PRO 63 HG1 PRO 63 8.425 2.699 -7.124 484 2HG PRO 63 HG2 PRO 63 7.610 4.076 -7.881 485 1HD PRO 63 HD1 PRO 63 10.291 3.203 -8.296 486 2HD PRO 63 HD2 PRO 63 9.512 4.651 -8.961 487 H MET 64 HN MET 64 9.605 3.996 -3.373 488 HA MET 64 HA MET 64 11.862 2.305 -3.055 489 1HB MET 64 HB1 MET 64 9.622 3.215 -1.445 490 2HB MET 64 HB2 MET 64 9.983 1.521 -1.146 491 1HG MET 64 HG1 MET 64 12.124 3.618 -1.110 492 2HG MET 64 HG2 MET 64 11.135 3.267 0.308 493 1HE MET 64 HE1 MET 64 14.291 1.450 -1.891 494 2HE MET 64 HE2 MET 64 14.974 1.797 -0.302 495 3HE MET 64 HE3 MET 64 14.103 3.054 -1.182 496 H SER 65 HN SER 65 8.658 1.802 -4.270 497 HA SER 65 HA SER 65 8.403 -0.958 -3.854 498 1HB SER 65 HB2 SER 65 6.835 -0.835 -5.859 499 2HB SER 65 HB1 SER 65 6.458 0.243 -4.517 500 HG SER 65 HG SER 65 7.325 1.945 -5.663 501 H LYS 66 HN LYS 66 10.568 0.739 -5.812 502 HA LYS 66 HA LYS 66 10.838 -1.003 -8.003 503 1HB LYS 66 HB1 LYS 66 12.887 0.109 -8.470 504 2HB LYS 66 HB2 LYS 66 11.812 1.320 -7.785 505 1HG LYS 66 HG1 LYS 66 13.243 1.762 -6.154 506 2HG LYS 66 HG2 LYS 66 13.348 0.057 -5.709 507 1HD LYS 66 HD2 LYS 66 15.320 -0.192 -6.732 508 2HD LYS 66 HD1 LYS 66 14.765 0.658 -8.176 509 1HE LYS 66 HE2 LYS 66 15.513 2.687 -7.442 510 2HE LYS 66 HE1 LYS 66 15.310 2.268 -5.742 511 1HZ LYS 66 HZ1 LYS 66 17.362 0.882 -7.322 512 2HZ LYS 66 HZ2 LYS 66 17.330 1.216 -5.665 513 3HZ LYS 66 HZ3 LYS 66 17.673 2.450 -6.769 514 H GLU 67 HN GLU 67 12.075 -1.130 -4.742 515 HA GLU 67 HA GLU 67 13.729 -3.457 -5.375 516 1HB GLU 67 HB1 GLU 67 13.856 -1.379 -3.414 517 2HB GLU 67 HB2 GLU 67 13.716 -2.922 -2.583 518 1HG GLU 67 HG2 GLU 67 15.750 -3.638 -3.268 519 2HG GLU 67 HG1 GLU 67 15.662 -2.768 -4.801 520 H ARG 68 HN ARG 68 10.724 -2.550 -3.932 521 HA ARG 68 HA ARG 68 10.220 -4.835 -2.379 522 1HB ARG 68 HB1 ARG 68 8.436 -2.825 -3.732 523 2HB ARG 68 HB2 ARG 68 7.759 -4.199 -2.868 524 1HG ARG 68 HG1 ARG 68 8.954 -3.472 -0.836 525 2HG ARG 68 HG2 ARG 68 9.533 -2.055 -1.716 526 1HD ARG 68 HD1 ARG 68 7.545 -1.006 -1.591 527 2HD ARG 68 HD2 ARG 68 6.631 -2.494 -1.835 528 HE ARG 68 HE ARG 68 6.729 -2.905 0.486 529 1HH1 ARG 68 HH1 ARG 68 8.197 0.125 -0.422 530 2HH1 ARG 68 HH1 ARG 68 8.159 0.770 1.185 531 1HH2 ARG 68 HH2 ARG 68 6.677 -2.059 2.602 532 2HH2 ARG 68 HH2 ARG 68 7.296 -0.470 2.902 533 H ILE 69 HN ILE 69 9.572 -4.140 -5.800 534 HA ILE 69 HA ILE 69 8.071 -6.391 -6.414 535 HB ILE 69 HB ILE 69 10.040 -5.025 -8.242 536 1HG1 ILE 69 HG1 ILE 69 7.108 -4.476 -8.292 537 2HG1 ILE 69 HG1 ILE 69 8.059 -3.739 -7.006 538 1HG2 ILE 69 HG2 ILE 69 9.466 -6.968 -9.353 539 2HG2 ILE 69 HG2 ILE 69 8.257 -5.828 -9.945 540 3HG2 ILE 69 HG2 ILE 69 7.832 -6.989 -8.687 541 1HD1 ILE 69 HD1 ILE 69 9.202 -3.448 -9.685 542 2HD1 ILE 69 HD1 ILE 69 9.009 -2.265 -8.390 543 3HD1 ILE 69 HD1 ILE 69 7.649 -2.648 -9.445 544 HA PRO 70 HA PRO 70 12.315 -8.599 -7.752 545 1HB PRO 70 HB2 PRO 70 13.939 -7.303 -5.606 546 2HB PRO 70 HB1 PRO 70 14.437 -7.879 -7.201 547 1HG PRO 70 HG2 PRO 70 14.088 -5.282 -6.755 548 2HG PRO 70 HG1 PRO 70 13.574 -6.015 -8.286 549 1HD PRO 70 HD1 PRO 70 11.932 -5.123 -5.965 550 2HD PRO 70 HD2 PRO 70 11.547 -5.101 -7.697 551 H GLU 71 HN GLU 71 11.771 -7.615 -4.369 552 HA GLU 71 HA GLU 71 12.511 -10.104 -3.244 553 1HB GLU 71 HB1 GLU 71 11.242 -7.617 -2.305 554 2HB GLU 71 HB2 GLU 71 10.775 -9.057 -1.411 555 1HG GLU 71 HG2 GLU 71 13.662 -8.627 -1.934 556 2HG GLU 71 HG1 GLU 71 12.872 -7.600 -0.739 557 H THR 72 HN THR 72 9.297 -8.711 -3.908 558 HA THR 72 HA THR 72 7.796 -10.879 -3.022 559 HB THR 72 HB THR 72 6.310 -9.780 -5.083 560 HG1 THR 72 HG1 THR 72 6.726 -7.501 -4.740 561 1HG2 THR 72 HG2 THR 72 6.288 -8.261 -2.572 562 2HG2 THR 72 HG2 THR 72 6.011 -9.997 -2.431 563 3HG2 THR 72 HG2 THR 72 4.966 -9.018 -3.461 564 H VAL 73 HN VAL 73 8.835 -10.106 -6.349 565 HA VAL 73 HA VAL 73 7.673 -12.310 -7.575 566 HB VAL 73 HB VAL 73 8.654 -10.368 -8.787 567 1HG1 VAL 73 HG1 VAL 73 10.968 -10.154 -9.172 568 2HG1 VAL 73 HG1 VAL 73 11.309 -11.743 -8.486 569 3HG1 VAL 73 HG1 VAL 73 10.800 -10.420 -7.437 570 1HG2 VAL 73 HG2 VAL 73 8.179 -12.758 -9.732 571 2HG2 VAL 73 HG2 VAL 73 9.933 -12.819 -9.907 572 3HG2 VAL 73 HG2 VAL 73 9.009 -11.558 -10.723 573 H LYS 74 HN LYS 74 10.584 -12.088 -5.681 574 HA LYS 74 HA LYS 74 11.841 -14.479 -6.484 575 1HB LYS 74 HB2 LYS 74 12.569 -12.560 -4.791 576 2HB LYS 74 HB1 LYS 74 11.880 -13.667 -3.611 577 1HG LYS 74 HG1 LYS 74 13.971 -14.487 -3.571 578 2HG LYS 74 HG2 LYS 74 13.426 -15.373 -4.998 579 1HD LYS 74 HD2 LYS 74 14.236 -12.975 -6.055 580 2HD LYS 74 HD1 LYS 74 15.404 -13.238 -4.758 581 1HE LYS 74 HE1 LYS 74 16.470 -14.759 -5.973 582 2HE LYS 74 HE2 LYS 74 14.985 -15.690 -6.166 583 1HZ LYS 74 HZ1 LYS 74 14.569 -13.736 -7.917 584 2HZ LYS 74 HZ2 LYS 74 15.316 -15.199 -8.321 585 3HZ LYS 74 HZ3 LYS 74 16.255 -13.830 -7.997 586 H LYS 75 HN LYS 75 9.350 -13.740 -4.108 587 HA LYS 75 HA LYS 75 8.921 -16.569 -3.535 588 1HB LYS 75 HB2 LYS 75 7.643 -14.049 -2.461 589 2HB LYS 75 HB1 LYS 75 7.125 -15.665 -2.003 590 1HG LYS 75 HG1 LYS 75 8.555 -15.314 -0.299 591 2HG LYS 75 HG2 LYS 75 9.739 -15.884 -1.478 592 1HD LYS 75 HD2 LYS 75 10.713 -13.943 -0.655 593 2HD LYS 75 HD1 LYS 75 9.937 -13.396 -2.142 594 1HE LYS 75 HE2 LYS 75 9.200 -11.769 -0.731 595 2HE LYS 75 HE1 LYS 75 7.917 -12.954 -0.489 596 1HZ LYS 75 HZ1 LYS 75 8.430 -13.007 1.648 597 2HZ LYS 75 HZ2 LYS 75 9.679 -11.892 1.412 598 3HZ LYS 75 HZ3 LYS 75 9.990 -13.550 1.287 599 H LEU 76 HN LEU 76 6.497 -14.027 -4.061 600 HA LEU 76 HA LEU 76 5.083 -15.839 -5.886 601 1HB LEU 76 HB1 LEU 76 3.313 -13.838 -5.553 602 2HB LEU 76 HB2 LEU 76 3.367 -15.273 -4.550 603 HG LEU 76 HG LEU 76 3.088 -13.093 -3.336 604 1HD1 LEU 76 HD1 LEU 76 5.490 -13.956 -2.061 605 2HD1 LEU 76 HD1 LEU 76 4.623 -15.358 -2.686 606 3HD1 LEU 76 HD1 LEU 76 3.816 -14.238 -1.589 607 1HD2 LEU 76 HD2 LEU 76 5.516 -12.082 -2.923 608 2HD2 LEU 76 HD2 LEU 76 4.412 -11.470 -4.154 609 3HD2 LEU 76 HD2 LEU 76 5.700 -12.587 -4.603 610 H GLY 77 HN GLY 77 4.204 -12.549 -6.052 611 1HA GLY 77 HA1 GLY 77 5.875 -12.135 -8.439 612 2HA GLY 77 HA2 GLY 77 4.141 -11.851 -8.503 613 H HIS 78 HN HIS 78 3.248 -10.140 -7.202 614 HA HIS 78 HA HIS 78 5.122 -8.258 -6.034 615 1HB HIS 78 HB1 HIS 78 3.485 -6.582 -7.576 616 2HB HIS 78 HB2 HIS 78 5.208 -6.874 -7.788 617 HD2 HIS 78 HD2 HIS 78 5.858 -7.877 -10.181 618 HE1 HIS 78 HE1 HIS 78 2.011 -9.289 -11.242 619 HE2 HIS 78 HE2 HIS 78 4.402 -8.979 -12.026 620 H GLU 79 HN GLU 79 3.982 -6.412 -4.986 621 HA GLU 79 HA GLU 79 1.358 -7.253 -3.983 622 1HB GLU 79 HB1 GLU 79 2.406 -5.193 -2.361 623 2HB GLU 79 HB2 GLU 79 2.215 -6.888 -1.940 624 1HG GLU 79 HG1 GLU 79 4.503 -7.134 -3.195 625 2HG GLU 79 HG2 GLU 79 4.640 -5.415 -2.827 626 H VAL 80 HN VAL 80 0.942 -6.254 -6.255 627 HA VAL 80 HA VAL 80 0.905 -3.340 -6.186 628 HB VAL 80 HB VAL 80 1.790 -4.090 -8.210 629 1HG1 VAL 80 HG2 VAL 80 1.323 -6.405 -8.160 630 2HG1 VAL 80 HG2 VAL 80 0.580 -5.791 -9.638 631 3HG1 VAL 80 HG2 VAL 80 -0.419 -6.130 -8.226 632 1HG2 VAL 80 HG1 VAL 80 -0.231 -2.457 -8.316 633 2HG2 VAL 80 HG1 VAL 80 -1.043 -3.807 -9.109 634 3HG2 VAL 80 HG1 VAL 80 0.429 -3.132 -9.806 635 H LEU 81 HN LEU 81 -0.824 -2.262 -5.609 636 HA LEU 81 HA LEU 81 -3.469 -3.391 -6.162 637 1HB LEU 81 HB1 LEU 81 -4.260 -3.110 -4.024 638 2HB LEU 81 HB2 LEU 81 -2.608 -3.600 -3.709 639 HG LEU 81 HG LEU 81 -2.362 -0.876 -3.804 640 1HD1 LEU 81 HD1 LEU 81 -5.056 -1.164 -3.766 641 2HD1 LEU 81 HD1 LEU 81 -4.189 0.224 -3.106 642 3HD1 LEU 81 HD1 LEU 81 -4.698 -1.087 -2.041 643 1HD2 LEU 81 HD2 LEU 81 -1.278 -1.988 -2.098 644 2HD2 LEU 81 HD2 LEU 81 -2.733 -2.843 -1.588 645 3HD2 LEU 81 HD2 LEU 81 -2.547 -1.127 -1.228 646 H GLU 82 HN GLU 82 -1.459 -0.582 -5.597 647 HA GLU 82 HA GLU 82 -3.244 0.985 -7.275 648 1HB GLU 82 HB2 GLU 82 -3.583 1.157 -4.555 649 2HB GLU 82 HB1 GLU 82 -2.511 2.506 -4.891 650 1HG GLU 82 HG1 GLU 82 -4.993 2.937 -4.914 651 2HG GLU 82 HG2 GLU 82 -4.068 3.524 -6.296 652 H ILE 83 HN ILE 83 -2.293 2.717 -8.280 653 HA ILE 83 HA ILE 83 0.480 3.386 -7.636 654 HB ILE 83 HB ILE 83 -0.385 2.645 -10.435 655 1HG1 ILE 83 HG1 ILE 83 1.701 0.980 -9.719 656 2HG1 ILE 83 HG1 ILE 83 0.745 1.067 -8.243 657 1HG2 ILE 83 HG2 ILE 83 2.264 2.723 -10.590 658 2HG2 ILE 83 HG2 ILE 83 2.049 3.888 -9.285 659 3HG2 ILE 83 HG2 ILE 83 1.266 4.154 -10.842 660 1HD1 ILE 83 HD1 ILE 83 -1.171 0.211 -9.329 661 2HD1 ILE 83 HD1 ILE 83 0.185 -0.814 -9.797 662 3HD1 ILE 83 HD1 ILE 83 -0.434 0.397 -10.920 663 H GLU 84 HN GLU 84 0.677 5.543 -7.584 664 HA GLU 84 HA GLU 84 -0.650 7.221 -9.527 665 1HB GLU 84 HB1 GLU 84 -1.589 8.638 -7.547 666 2HB GLU 84 HB2 GLU 84 -2.496 7.252 -8.136 667 1HG GLU 84 HG2 GLU 84 -1.476 5.897 -6.314 668 2HG GLU 84 HG1 GLU 84 -0.758 7.379 -5.685 669 H GLU 85 HN GLU 85 -0.354 9.639 -8.616 670 HA GLU 85 HA GLU 85 2.394 9.888 -7.597 671 1HB GLU 85 HB2 GLU 85 2.578 11.865 -9.250 672 2HB GLU 85 HB1 GLU 85 2.761 10.234 -9.878 673 1HG GLU 85 HG1 GLU 85 0.200 10.432 -10.330 674 2HG GLU 85 HG2 GLU 85 0.522 12.162 -10.237 675 H VAL 86 HN VAL 86 2.884 12.182 -6.916 676 HA VAL 86 HA VAL 86 0.473 13.536 -5.911 677 HB VAL 86 HB VAL 86 1.331 12.292 -4.043 678 1HG1 VAL 86 HG2 VAL 86 3.984 13.670 -4.396 679 2HG1 VAL 86 HG2 VAL 86 3.643 12.044 -4.988 680 3HG1 VAL 86 HG2 VAL 86 3.573 12.385 -3.260 681 1HG2 VAL 86 HG1 VAL 86 0.708 14.846 -3.903 682 2HG2 VAL 86 HG1 VAL 86 2.403 15.001 -3.440 683 3HG2 VAL 86 HG1 VAL 86 1.321 13.977 -2.497 684 H GLY 87 HN GLY 87 3.969 13.832 -6.524 685 1HA GLY 87 HA1 GLY 87 3.479 16.656 -7.222 686 2HA GLY 87 HA2 GLY 87 4.836 16.209 -6.198 687 HA PRO 88 HA PRO 88 6.509 16.411 -10.481 688 1HB PRO 88 HB1 PRO 88 9.018 17.136 -9.694 689 2HB PRO 88 HB2 PRO 88 7.709 18.291 -9.966 690 1HG PRO 88 HG2 PRO 88 8.704 17.124 -7.394 691 2HG PRO 88 HG1 PRO 88 8.245 18.799 -7.761 692 1HD PRO 88 HD2 PRO 88 6.597 17.113 -6.447 693 2HD PRO 88 HD1 PRO 88 5.986 18.355 -7.559 694 H SER 89 HN SER 89 9.003 15.561 -8.103 695 HA SER 89 HA SER 89 9.483 13.094 -9.582 696 1HB SER 89 HB2 SER 89 11.654 13.072 -8.652 697 2HB SER 89 HB1 SER 89 11.330 14.777 -8.969 698 HG SER 89 HG SER 89 12.187 14.474 -6.884 699 H GLU 90 HN GLU 90 7.745 14.055 -6.963 700 HA GLU 90 HA GLU 90 8.197 11.627 -5.401 701 1HB GLU 90 HB2 GLU 90 6.331 12.758 -3.956 702 2HB GLU 90 HB1 GLU 90 7.976 13.377 -3.909 703 1HG GLU 90 HG1 GLU 90 7.357 15.119 -5.516 704 2HG GLU 90 HG2 GLU 90 5.703 14.510 -5.521 705 H TRP 91 HN TRP 91 6.699 10.011 -5.161 706 HA TRP 91 HA TRP 91 4.188 10.256 -6.657 707 1HB TRP 91 HB2 TRP 91 6.059 7.883 -6.839 708 2HB TRP 91 HB1 TRP 91 4.501 8.043 -7.645 709 HD1 TRP 91 HD1 TRP 91 4.409 10.253 -9.439 710 HE1 TRP 91 HE1 TRP 91 6.222 10.954 -11.124 711 HE3 TRP 91 HE3 TRP 91 8.428 7.891 -7.340 712 HZ2 TRP 91 HZ2 TRP 91 8.989 10.559 -11.515 713 HZ3 TRP 91 HZ3 TRP 91 10.622 8.104 -8.431 714 HH2 TRP 91 HH2 TRP 91 10.896 9.410 -10.476 715 H LYS 92 HN LYS 92 2.649 8.502 -6.152 716 HA LYS 92 HA LYS 92 2.964 7.546 -3.384 717 1HB LYS 92 HB1 LYS 92 1.022 9.304 -4.390 718 2HB LYS 92 HB2 LYS 92 0.202 7.758 -4.229 719 1HG LYS 92 HG1 LYS 92 1.569 7.950 -1.863 720 2HG LYS 92 HG2 LYS 92 1.103 9.621 -2.182 721 1HD LYS 92 HD1 LYS 92 -1.003 7.618 -2.643 722 2HD LYS 92 HD2 LYS 92 -0.489 7.803 -0.965 723 1HE LYS 92 HE1 LYS 92 -2.280 9.316 -1.288 724 2HE LYS 92 HE2 LYS 92 -0.807 10.283 -1.257 725 1HZ LYS 92 HZ1 LYS 92 -2.582 9.678 -3.510 726 2HZ LYS 92 HZ2 LYS 92 -0.938 9.925 -3.825 727 3HZ LYS 92 HZ3 LYS 92 -1.848 11.140 -3.079 728 H ILE 93 HN ILE 93 3.139 5.417 -3.319 729 HA ILE 93 HA ILE 93 1.649 3.824 -5.301 730 HB ILE 93 HB ILE 93 4.393 3.219 -4.188 731 1HG1 ILE 93 HG1 ILE 93 4.801 3.345 -6.816 732 2HG1 ILE 93 HG1 ILE 93 3.412 4.426 -6.736 733 1HG2 ILE 93 HG2 ILE 93 2.875 1.716 -6.311 734 2HG2 ILE 93 HG2 ILE 93 2.924 1.236 -4.615 735 3HG2 ILE 93 HG2 ILE 93 4.411 1.272 -5.563 736 1HD1 ILE 93 HD1 ILE 93 4.556 5.917 -5.289 737 2HD1 ILE 93 HD1 ILE 93 5.638 5.543 -6.631 738 3HD1 ILE 93 HD1 ILE 93 5.881 4.775 -5.061 739 H TYR 94 HN TYR 94 0.738 1.913 -4.606 740 HA TYR 94 HA TYR 94 0.751 1.480 -1.694 741 1HB TYR 94 HB1 TYR 94 -1.498 1.264 -3.689 742 2HB TYR 94 HB2 TYR 94 -1.573 0.479 -2.115 743 HD1 TYR 94 HD1 TYR 94 -2.466 1.638 -0.322 744 HD2 TYR 94 HD2 TYR 94 -0.961 3.830 -3.644 745 HE1 TYR 94 HE1 TYR 94 -3.294 3.723 0.686 746 HE2 TYR 94 HE2 TYR 94 -1.786 5.920 -2.645 747 HH TYR 94 HH TYR 94 -3.948 6.284 -0.659 748 H ILE 95 HN ILE 95 1.280 -0.477 -0.989 749 HA ILE 95 HA ILE 95 1.521 -2.657 -2.955 750 HB ILE 95 HB ILE 95 3.558 -1.399 -1.439 751 1HG1 ILE 95 HG1 ILE 95 4.989 -3.164 -2.542 752 2HG1 ILE 95 HG1 ILE 95 3.504 -3.887 -3.149 753 1HG2 ILE 95 HG2 ILE 95 2.793 -2.954 0.393 754 2HG2 ILE 95 HG2 ILE 95 4.492 -3.075 -0.063 755 3HG2 ILE 95 HG2 ILE 95 3.340 -4.285 -0.627 756 1HD1 ILE 95 HD1 ILE 95 4.061 -2.619 -4.937 757 2HD1 ILE 95 HD1 ILE 95 4.869 -1.391 -3.960 758 3HD1 ILE 95 HD1 ILE 95 3.107 -1.434 -4.045 759 H LYS 96 HN LYS 96 0.901 -4.735 -2.279 760 HA LYS 96 HA LYS 96 0.026 -5.071 0.472 761 1HB LYS 96 HB2 LYS 96 -2.034 -4.280 -0.055 762 2HB LYS 96 HB1 LYS 96 -1.851 -4.628 -1.769 763 1HG LYS 96 HG1 LYS 96 -2.092 -7.108 -1.014 764 2HG LYS 96 HG2 LYS 96 -2.816 -6.396 0.430 765 1HD LYS 96 HD2 LYS 96 -4.604 -5.514 -0.743 766 2HD LYS 96 HD1 LYS 96 -3.730 -5.527 -2.276 767 1HE LYS 96 HE2 LYS 96 -4.947 -7.359 -2.710 768 2HE LYS 96 HE1 LYS 96 -3.778 -8.173 -1.671 769 1HZ LYS 96 HZ1 LYS 96 -6.538 -7.375 -1.090 770 2HZ LYS 96 HZ2 LYS 96 -5.426 -7.407 0.184 771 3HZ LYS 96 HZ3 LYS 96 -5.730 -8.811 -0.709 772 H VAL 97 HN VAL 97 0.323 -7.064 1.153 773 HA VAL 97 HA VAL 97 1.166 -9.121 -0.694 774 HB VAL 97 HB VAL 97 0.652 -9.633 2.213 775 1HG1 VAL 97 HG2 VAL 97 2.992 -10.541 0.580 776 2HG1 VAL 97 HG2 VAL 97 1.432 -11.352 0.455 777 3HG1 VAL 97 HG2 VAL 97 2.270 -11.287 2.006 778 1HG2 VAL 97 HG1 VAL 97 2.500 -8.513 2.968 779 2HG2 VAL 97 HG1 VAL 97 1.967 -7.412 1.698 780 3HG2 VAL 97 HG1 VAL 97 3.294 -8.533 1.393 781 H LYS 98 HN LYS 98 -0.202 -10.464 -1.665 782 HA LYS 98 HA LYS 98 -2.963 -10.599 -0.825 783 1HB LYS 98 HB2 LYS 98 -1.859 -12.325 -3.001 784 2HB LYS 98 HB1 LYS 98 -3.421 -11.524 -2.895 785 1HG LYS 98 HG1 LYS 98 -1.820 -9.374 -3.010 786 2HG LYS 98 HG2 LYS 98 -0.843 -10.529 -3.919 787 1HD LYS 98 HD2 LYS 98 -2.220 -10.465 -5.680 788 2HD LYS 98 HD1 LYS 98 -3.656 -10.598 -4.664 789 1HE LYS 98 HE2 LYS 98 -2.765 -8.051 -4.139 790 2HE LYS 98 HE1 LYS 98 -2.415 -8.244 -5.856 791 1HZ LYS 98 HZ1 LYS 98 -4.923 -9.260 -5.588 792 2HZ LYS 98 HZ2 LYS 98 -4.540 -7.717 -6.166 793 3HZ LYS 98 HZ3 LYS 98 -4.938 -7.936 -4.535 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -37.209 -5.043 -18.403 2 2H GLY 1 HT2 GLY 1 -36.043 -6.168 -18.892 3 3H GLY 1 HT3 GLY 1 -36.693 -5.082 -20.014 4 1HA GLY 1 HA1 GLY 1 -35.107 -3.625 -19.582 5 2HA GLY 1 HA2 GLY 1 -35.655 -3.571 -17.913 6 H SER 2 HN SER 2 -32.935 -3.431 -19.065 7 HA SER 2 HA SER 2 -31.626 -5.890 -18.374 8 1HB SER 2 HB1 SER 2 -30.596 -4.562 -20.079 9 2HB SER 2 HB2 SER 2 -30.589 -3.132 -19.049 10 HG SER 2 HG SER 2 -28.609 -4.664 -19.323 11 H SER 3 HN SER 3 -30.023 -6.112 -16.691 12 HA SER 3 HA SER 3 -30.790 -4.634 -14.271 13 1HB SER 3 HB2 SER 3 -30.246 -7.408 -14.814 14 2HB SER 3 HB1 SER 3 -29.121 -6.815 -13.592 15 HG SER 3 HG SER 3 -31.032 -7.557 -12.627 16 H HIS 4 HN HIS 4 -28.456 -4.600 -16.589 17 HA HIS 4 HA HIS 4 -26.136 -4.216 -14.933 18 1HB HIS 4 HB2 HIS 4 -26.352 -4.999 -17.457 19 2HB HIS 4 HB1 HIS 4 -26.235 -3.269 -17.766 20 HD2 HIS 4 HD2 HIS 4 -23.869 -2.269 -16.016 21 HE1 HIS 4 HE1 HIS 4 -21.731 -5.662 -17.374 22 HE2 HIS 4 HE2 HIS 4 -21.538 -3.375 -16.292 23 H HIS 5 HN HIS 5 -26.081 -2.477 -13.651 24 HA HIS 5 HA HIS 5 -26.775 0.127 -14.842 25 1HB HIS 5 HB2 HIS 5 -27.077 -0.743 -11.959 26 2HB HIS 5 HB1 HIS 5 -27.382 0.884 -12.561 27 HD2 HIS 5 HD2 HIS 5 -29.688 -1.214 -11.242 28 HE1 HIS 5 HE1 HIS 5 -31.253 -0.888 -15.161 29 HE2 HIS 5 HE2 HIS 5 -31.762 -1.548 -12.765 30 H HIS 6 HN HIS 6 -25.394 -0.155 -11.660 31 HA HIS 6 HA HIS 6 -22.726 0.484 -12.675 32 1HB HIS 6 HB2 HIS 6 -24.525 2.362 -11.375 33 2HB HIS 6 HB1 HIS 6 -23.019 2.182 -10.481 34 HD2 HIS 6 HD2 HIS 6 -20.671 2.584 -12.217 35 HE1 HIS 6 HE1 HIS 6 -22.867 5.274 -14.638 36 HE2 HIS 6 HE2 HIS 6 -20.552 4.434 -14.033 37 H HIS 7 HN HIS 7 -24.098 -1.779 -11.251 38 HA HIS 7 HA HIS 7 -22.182 -1.972 -9.028 39 1HB HIS 7 HB2 HIS 7 -25.124 -2.622 -9.002 40 2HB HIS 7 HB1 HIS 7 -24.008 -3.356 -7.854 41 HD2 HIS 7 HD2 HIS 7 -26.428 -0.781 -7.562 42 HE1 HIS 7 HE1 HIS 7 -23.043 0.944 -5.695 43 HE2 HIS 7 HE2 HIS 7 -25.555 1.097 -5.998 44 H HIS 8 HN HIS 8 -22.171 -2.973 -11.809 45 HA HIS 8 HA HIS 8 -22.221 -5.872 -11.303 46 1HB HIS 8 HB2 HIS 8 -23.000 -4.238 -13.574 47 2HB HIS 8 HB1 HIS 8 -21.840 -5.476 -14.043 48 HD2 HIS 8 HD2 HIS 8 -25.492 -5.156 -12.758 49 HE1 HIS 8 HE1 HIS 8 -24.734 -9.190 -13.794 50 HE2 HIS 8 HE2 HIS 8 -26.510 -7.519 -13.095 51 H HIS 9 HN HIS 9 -20.588 -6.769 -13.293 52 HA HIS 9 HA HIS 9 -18.023 -6.465 -12.171 53 1HB HIS 9 HB1 HIS 9 -19.261 -8.023 -14.271 54 2HB HIS 9 HB2 HIS 9 -17.674 -7.449 -14.777 55 HD2 HIS 9 HD2 HIS 9 -19.250 -10.152 -12.612 56 HE1 HIS 9 HE1 HIS 9 -15.095 -10.133 -11.806 57 HE2 HIS 9 HE2 HIS 9 -17.273 -11.391 -11.478 58 H SER 10 HN SER 10 -16.231 -5.324 -12.809 59 HA SER 10 HA SER 10 -16.697 -2.902 -14.260 60 1HB SER 10 HB2 SER 10 -14.785 -3.835 -12.402 61 2HB SER 10 HB1 SER 10 -13.892 -3.428 -13.868 62 HG SER 10 HG SER 10 -15.753 -1.716 -12.578 63 H SER 11 HN SER 11 -15.898 -2.278 -16.250 64 HA SER 11 HA SER 11 -15.710 -4.247 -18.244 65 1HB SER 11 HB1 SER 11 -15.629 -1.344 -18.100 66 2HB SER 11 HB2 SER 11 -14.507 -1.964 -19.311 67 HG SER 11 HG SER 11 -16.904 -1.572 -19.817 68 H GLY 12 HN GLY 12 -13.136 -1.920 -17.406 69 1HA GLY 12 HA1 GLY 12 -11.104 -3.580 -18.543 70 2HA GLY 12 HA2 GLY 12 -10.848 -2.108 -17.618 71 H LEU 13 HN LEU 13 -9.251 -4.436 -17.422 72 HA LEU 13 HA LEU 13 -10.027 -5.663 -14.886 73 1HB LEU 13 HB2 LEU 13 -8.291 -6.397 -17.133 74 2HB LEU 13 HB1 LEU 13 -7.611 -6.769 -15.562 75 HG LEU 13 HG LEU 13 -8.803 -8.689 -16.490 76 1HD1 LEU 13 HD1 LEU 13 -10.070 -9.265 -14.571 77 2HD1 LEU 13 HD1 LEU 13 -10.387 -7.572 -14.190 78 3HD1 LEU 13 HD1 LEU 13 -8.756 -8.223 -14.022 79 1HD2 LEU 13 HD2 LEU 13 -10.539 -8.173 -17.809 80 2HD2 LEU 13 HD2 LEU 13 -10.876 -6.668 -16.953 81 3HD2 LEU 13 HD2 LEU 13 -11.465 -8.202 -16.309 82 H VAL 14 HN VAL 14 -6.677 -5.231 -15.766 83 HA VAL 14 HA VAL 14 -6.208 -3.867 -13.241 84 HB VAL 14 HB VAL 14 -3.800 -4.151 -13.797 85 1HG1 VAL 14 HG2 VAL 14 -5.143 -6.807 -14.104 86 2HG1 VAL 14 HG2 VAL 14 -5.333 -5.873 -12.620 87 3HG1 VAL 14 HG2 VAL 14 -3.727 -6.376 -13.146 88 1HG2 VAL 14 HG1 VAL 14 -3.527 -5.955 -15.715 89 2HG2 VAL 14 HG1 VAL 14 -3.506 -4.225 -16.057 90 3HG2 VAL 14 HG1 VAL 14 -4.977 -5.159 -16.331 91 HA PRO 15 HA PRO 15 -4.675 -2.656 -12.288 92 1HB PRO 15 HB1 PRO 15 -4.745 -0.263 -11.085 93 2HB PRO 15 HB2 PRO 15 -3.397 -0.730 -12.129 94 1HG PRO 15 HG1 PRO 15 -5.765 1.000 -12.749 95 2HG PRO 15 HG2 PRO 15 -4.059 1.253 -13.161 96 1HD PRO 15 HD2 PRO 15 -5.908 0.240 -14.906 97 2HD PRO 15 HD1 PRO 15 -4.173 -0.122 -14.993 98 H ARG 16 HN ARG 16 -6.033 -3.375 -10.745 99 HA ARG 16 HA ARG 16 -8.833 -2.702 -10.917 100 1HB ARG 16 HB1 ARG 16 -7.289 -4.610 -9.158 101 2HB ARG 16 HB2 ARG 16 -9.030 -4.394 -9.048 102 1HG ARG 16 HG1 ARG 16 -9.113 -4.995 -11.512 103 2HG ARG 16 HG2 ARG 16 -7.437 -5.516 -11.329 104 1HD ARG 16 HD2 ARG 16 -7.997 -7.353 -10.143 105 2HD ARG 16 HD1 ARG 16 -9.317 -6.537 -9.305 106 HE ARG 16 HE ARG 16 -9.972 -6.940 -12.028 107 1HH1 ARG 16 HH1 ARG 16 -9.646 -8.646 -9.006 108 2HH1 ARG 16 HH1 ARG 16 -10.796 -9.872 -9.428 109 1HH2 ARG 16 HH2 ARG 16 -11.485 -8.549 -12.590 110 2HH2 ARG 16 HH2 ARG 16 -11.841 -9.817 -11.463 111 H GLY 17 HN GLY 17 -6.890 -0.645 -9.961 112 1HA GLY 17 HA1 GLY 17 -7.468 -0.306 -7.148 113 2HA GLY 17 HA2 GLY 17 -6.574 0.805 -8.174 114 H SER 18 HN SER 18 -9.742 -0.366 -9.055 115 HA SER 18 HA SER 18 -10.737 2.334 -9.164 116 1HB SER 18 HB1 SER 18 -12.703 1.367 -10.200 117 2HB SER 18 HB2 SER 18 -11.272 0.604 -10.893 118 HG SER 18 HG SER 18 -12.500 -1.094 -10.402 119 H HIS 19 HN HIS 19 -13.524 1.490 -8.566 120 HA HIS 19 HA HIS 19 -13.459 2.059 -5.734 121 1HB HIS 19 HB1 HIS 19 -16.011 1.975 -6.059 122 2HB HIS 19 HB2 HIS 19 -15.124 3.257 -6.879 123 HD2 HIS 19 HD2 HIS 19 -17.208 0.089 -7.694 124 HE1 HIS 19 HE1 HIS 19 -16.179 2.028 -11.314 125 HE2 HIS 19 HE2 HIS 19 -17.562 0.179 -10.263 126 H MET 20 HN MET 20 -12.502 -0.582 -6.681 127 HA MET 20 HA MET 20 -14.439 -2.559 -6.052 128 1HB MET 20 HB1 MET 20 -11.952 -2.573 -7.202 129 2HB MET 20 HB2 MET 20 -11.621 -3.288 -5.629 130 1HG MET 20 HG2 MET 20 -12.077 -5.052 -7.147 131 2HG MET 20 HG1 MET 20 -13.456 -4.913 -6.059 132 1HE MET 20 HE1 MET 20 -13.503 -5.109 -10.443 133 2HE MET 20 HE2 MET 20 -13.624 -6.402 -9.251 134 3HE MET 20 HE3 MET 20 -12.185 -5.386 -9.305 135 H ALA 21 HN ALA 21 -12.587 -4.120 -4.298 136 HA ALA 21 HA ALA 21 -13.753 -3.578 -1.829 137 1HB ALA 21 HB1 ALA 21 -11.987 -5.493 -2.875 138 2HB ALA 21 HB2 ALA 21 -12.811 -5.521 -1.316 139 3HB ALA 21 HB3 ALA 21 -11.198 -4.818 -1.449 140 H LYS 22 HN LYS 22 -13.348 -2.171 -0.246 141 HA LYS 22 HA LYS 22 -11.163 -0.283 -0.585 142 1HB LYS 22 HB2 LYS 22 -13.216 -0.236 1.618 143 2HB LYS 22 HB1 LYS 22 -12.290 1.107 0.961 144 1HG LYS 22 HG2 LYS 22 -13.603 1.241 -0.953 145 2HG LYS 22 HG1 LYS 22 -14.244 -0.390 -0.740 146 1HD LYS 22 HD2 LYS 22 -15.738 0.264 0.890 147 2HD LYS 22 HD1 LYS 22 -14.786 1.678 1.343 148 1HE LYS 22 HE1 LYS 22 -15.452 2.847 -0.629 149 2HE LYS 22 HE2 LYS 22 -16.212 1.402 -1.294 150 1HZ LYS 22 HZ1 LYS 22 -17.354 3.359 0.348 151 2HZ LYS 22 HZ2 LYS 22 -17.340 1.905 1.213 152 3HZ LYS 22 HZ3 LYS 22 -18.086 1.979 -0.303 153 H TYR 23 HN TYR 23 -9.534 -1.934 -0.097 154 HA TYR 23 HA TYR 23 -9.363 -3.066 2.517 155 1HB TYR 23 HB2 TYR 23 -7.556 -2.907 0.138 156 2HB TYR 23 HB1 TYR 23 -6.869 -3.366 1.693 157 HD1 TYR 23 HD1 TYR 23 -8.576 -4.517 -1.204 158 HD2 TYR 23 HD2 TYR 23 -8.000 -5.329 2.933 159 HE1 TYR 23 HE1 TYR 23 -9.325 -6.831 -1.560 160 HE2 TYR 23 HE2 TYR 23 -8.749 -7.645 2.588 161 HH TYR 23 HH TYR 23 -8.915 -9.110 -0.326 162 H GLN 24 HN GLN 24 -8.653 -2.167 4.332 163 HA GLN 24 HA GLN 24 -7.719 0.546 4.341 164 1HB GLN 24 HB1 GLN 24 -8.597 -1.435 6.332 165 2HB GLN 24 HB2 GLN 24 -7.353 -0.333 6.904 166 1HG GLN 24 HG2 GLN 24 -9.081 0.985 7.418 167 2HG GLN 24 HG1 GLN 24 -9.047 1.398 5.704 168 1HE2 GLN 24 HE2 GLN 24 -10.728 -0.252 8.218 169 2HE2 GLN 24 HE2 GLN 24 -12.129 -0.674 7.300 170 H VAL 25 HN VAL 25 -5.730 1.304 5.173 171 HA VAL 25 HA VAL 25 -3.493 -0.403 4.491 172 HB VAL 25 HB VAL 25 -3.495 2.461 5.452 173 1HG1 VAL 25 HG2 VAL 25 -1.379 0.572 5.010 174 2HG1 VAL 25 HG2 VAL 25 -1.292 2.227 5.613 175 3HG1 VAL 25 HG2 VAL 25 -1.243 1.916 3.877 176 1HG2 VAL 25 HG1 VAL 25 -3.919 3.145 3.367 177 2HG2 VAL 25 HG1 VAL 25 -4.484 1.500 3.074 178 3HG2 VAL 25 HG1 VAL 25 -2.830 1.950 2.663 179 H THR 26 HN THR 26 -1.848 -1.040 5.871 180 HA THR 26 HA THR 26 -2.532 -0.973 8.725 181 HB THR 26 HB THR 26 -0.510 -2.850 7.554 182 HG1 THR 26 HG1 THR 26 -3.243 -2.846 7.092 183 1HG2 THR 26 HG2 THR 26 -1.877 -4.337 9.255 184 2HG2 THR 26 HG2 THR 26 -2.212 -2.760 9.970 185 3HG2 THR 26 HG2 THR 26 -0.546 -3.301 9.769 186 H LYS 27 HN LYS 27 0.343 -0.930 6.593 187 HA LYS 27 HA LYS 27 1.676 0.714 8.648 188 1HB LYS 27 HB1 LYS 27 2.511 -1.716 8.009 189 2HB LYS 27 HB2 LYS 27 3.267 -0.857 6.676 190 1HG LYS 27 HG1 LYS 27 4.952 -0.762 8.175 191 2HG LYS 27 HG2 LYS 27 4.099 0.717 8.619 192 1HD LYS 27 HD2 LYS 27 3.187 -1.744 9.962 193 2HD LYS 27 HD1 LYS 27 4.808 -1.192 10.388 194 1HE LYS 27 HE2 LYS 27 2.606 0.806 10.326 195 2HE LYS 27 HE1 LYS 27 2.667 -0.329 11.674 196 1HZ LYS 27 HZ1 LYS 27 4.730 1.638 10.869 197 2HZ LYS 27 HZ2 LYS 27 5.040 0.386 11.963 198 3HZ LYS 27 HZ3 LYS 27 3.880 1.561 12.329 199 H THR 28 HN THR 28 3.476 2.076 7.751 200 HA THR 28 HA THR 28 2.893 3.056 5.046 201 HB THR 28 HB THR 28 3.250 4.792 7.497 202 HG1 THR 28 HG1 THR 28 1.058 5.458 6.633 203 1HG2 THR 28 HG2 THR 28 2.846 5.551 4.620 204 2HG2 THR 28 HG2 THR 28 4.230 5.931 5.646 205 3HG2 THR 28 HG2 THR 28 2.658 6.657 5.982 206 H LEU 29 HN LEU 29 4.681 3.082 3.858 207 HA LEU 29 HA LEU 29 7.275 3.124 5.229 208 1HB LEU 29 HB1 LEU 29 6.662 1.216 3.691 209 2HB LEU 29 HB2 LEU 29 6.713 2.364 2.367 210 HG LEU 29 HG LEU 29 9.131 2.323 4.038 211 1HD1 LEU 29 HD1 LEU 29 8.310 -0.104 3.896 212 2HD1 LEU 29 HD1 LEU 29 9.966 0.242 3.400 213 3HD1 LEU 29 HD1 LEU 29 8.712 0.008 2.183 214 1HD2 LEU 29 HD2 LEU 29 9.047 3.640 2.038 215 2HD2 LEU 29 HD2 LEU 29 8.570 2.238 1.081 216 3HD2 LEU 29 HD2 LEU 29 10.181 2.313 1.792 217 H ASP 30 HN ASP 30 8.410 4.935 5.192 218 HA ASP 30 HA ASP 30 8.175 6.722 2.871 219 1HB ASP 30 HB2 ASP 30 8.704 8.343 5.129 220 2HB ASP 30 HB1 ASP 30 7.256 8.331 4.126 221 H VAL 31 HN VAL 31 10.093 7.009 1.960 222 HA VAL 31 HA VAL 31 12.499 6.664 3.630 223 HB VAL 31 HB VAL 31 12.508 6.527 0.629 224 1HG1 VAL 31 HG2 VAL 31 14.687 6.648 1.440 225 2HG1 VAL 31 HG2 VAL 31 14.423 4.916 1.237 226 3HG1 VAL 31 HG2 VAL 31 14.325 5.640 2.841 227 1HG2 VAL 31 HG1 VAL 31 11.537 4.497 2.568 228 2HG2 VAL 31 HG1 VAL 31 12.512 3.943 1.207 229 3HG2 VAL 31 HG1 VAL 31 11.014 4.827 0.917 230 H ARG 32 HN ARG 32 10.648 9.006 2.189 231 HA ARG 32 HA ARG 32 12.340 10.744 0.923 232 1HB ARG 32 HB2 ARG 32 9.756 10.850 1.764 233 2HB ARG 32 HB1 ARG 32 10.498 12.051 2.815 234 1HG ARG 32 HG2 ARG 32 11.547 12.776 0.440 235 2HG ARG 32 HG1 ARG 32 9.994 12.119 -0.080 236 1HD ARG 32 HD2 ARG 32 9.949 14.559 0.405 237 2HD ARG 32 HD1 ARG 32 8.803 13.616 1.358 238 HE ARG 32 HE ARG 32 11.285 13.995 2.716 239 1HH1 ARG 32 HH1 ARG 32 8.245 15.509 1.937 240 2HH1 ARG 32 HH1 ARG 32 8.264 16.552 3.320 241 1HH2 ARG 32 HH2 ARG 32 11.317 15.366 4.540 242 2HH2 ARG 32 HH2 ARG 32 10.008 16.471 4.798 243 H GLY 33 HN GLY 33 12.495 9.860 4.241 244 1HA GLY 33 HA1 GLY 33 13.649 12.215 5.301 245 2HA GLY 33 HA2 GLY 33 13.771 10.606 5.995 246 H GLU 34 HN GLU 34 15.356 13.067 4.227 247 HA GLU 34 HA GLU 34 17.513 11.423 3.261 248 1HB GLU 34 HB2 GLU 34 18.457 13.453 2.428 249 2HB GLU 34 HB1 GLU 34 16.718 13.557 2.178 250 1HG GLU 34 HG2 GLU 34 16.550 15.367 3.454 251 2HG GLU 34 HG1 GLU 34 17.509 14.636 4.744 252 H VAL 35 HN VAL 35 16.903 11.567 6.220 253 HA VAL 35 HA VAL 35 19.438 12.642 7.203 254 HB VAL 35 HB VAL 35 17.414 11.669 9.093 255 1HG1 VAL 35 HG2 VAL 35 19.374 12.564 10.046 256 2HG1 VAL 35 HG2 VAL 35 18.136 13.805 10.242 257 3HG1 VAL 35 HG2 VAL 35 19.346 13.959 8.968 258 1HG2 VAL 35 HG1 VAL 35 16.283 13.003 7.175 259 2HG2 VAL 35 HG1 VAL 35 17.038 14.396 7.948 260 3HG2 VAL 35 HG1 VAL 35 15.900 13.396 8.850 261 H CYS 36 HN CYS 36 18.673 10.747 9.632 262 HA CYS 36 HA CYS 36 20.680 8.896 9.328 263 1HB CYS 36 HB2 CYS 36 18.130 8.744 10.939 264 2HB CYS 36 HB1 CYS 36 19.422 7.557 11.076 265 HG CYS 36 HG CYS 36 20.629 9.076 12.558 266 HA PRO 37 HA PRO 37 19.198 5.809 6.547 267 1HB PRO 37 HB2 PRO 37 20.440 3.588 7.449 268 2HB PRO 37 HB1 PRO 37 21.315 4.910 6.666 269 1HG PRO 37 HG2 PRO 37 21.013 4.301 9.584 270 2HG PRO 37 HG1 PRO 37 22.464 4.787 8.688 271 1HD PRO 37 HD2 PRO 37 20.987 6.526 10.165 272 2HD PRO 37 HD1 PRO 37 21.887 7.014 8.715 273 H VAL 38 HN VAL 38 17.610 6.314 9.097 274 HA VAL 38 HA VAL 38 16.644 3.917 10.153 275 HB VAL 38 HB VAL 38 15.149 6.519 9.810 276 1HG1 VAL 38 HG2 VAL 38 13.518 4.902 10.283 277 2HG1 VAL 38 HG2 VAL 38 13.901 5.617 11.848 278 3HG1 VAL 38 HG2 VAL 38 14.568 4.045 11.409 279 1HG2 VAL 38 HG1 VAL 38 16.829 5.464 12.080 280 2HG2 VAL 38 HG1 VAL 38 15.815 6.905 12.163 281 3HG2 VAL 38 HG1 VAL 38 17.184 6.854 11.054 282 HA PRO 39 HA PRO 39 13.133 4.070 6.789 283 1HB PRO 39 HB1 PRO 39 14.319 5.693 4.639 284 2HB PRO 39 HB2 PRO 39 12.702 5.771 5.342 285 1HG PRO 39 HG1 PRO 39 14.526 7.685 5.798 286 2HG PRO 39 HG2 PRO 39 13.364 7.189 7.041 287 1HD PRO 39 HD1 PRO 39 16.250 6.443 6.740 288 2HD PRO 39 HD2 PRO 39 15.346 6.872 8.208 289 H ASP 40 HN ASP 40 16.528 4.010 6.102 290 HA ASP 40 HA ASP 40 16.419 2.440 3.732 291 1HB ASP 40 HB1 ASP 40 18.640 2.889 5.737 292 2HB ASP 40 HB2 ASP 40 18.845 2.019 4.219 293 H VAL 41 HN VAL 41 17.090 1.621 7.136 294 HA VAL 41 HA VAL 41 17.201 -1.193 6.627 295 HB VAL 41 HB VAL 41 17.800 0.561 8.797 296 1HG1 VAL 41 HG1 VAL 41 15.941 -1.697 9.354 297 2HG1 VAL 41 HG1 VAL 41 15.848 -0.024 9.903 298 3HG1 VAL 41 HG1 VAL 41 17.068 -1.107 10.579 299 1HG2 VAL 41 HG2 VAL 41 19.126 -1.318 7.580 300 2HG2 VAL 41 HG2 VAL 41 18.364 -2.374 8.770 301 3HG2 VAL 41 HG2 VAL 41 19.387 -1.040 9.302 302 H GLU 42 HN GLU 42 14.765 1.116 7.552 303 HA GLU 42 HA GLU 42 12.842 -0.629 8.602 304 1HB GLU 42 HB1 GLU 42 12.738 1.845 8.757 305 2HB GLU 42 HB2 GLU 42 12.367 1.917 7.040 306 1HG GLU 42 HG2 GLU 42 10.279 0.820 7.367 307 2HG GLU 42 HG1 GLU 42 10.671 0.460 9.048 308 H THR 43 HN THR 43 13.167 0.639 5.283 309 HA THR 43 HA THR 43 11.065 -0.895 4.206 310 HB THR 43 HB THR 43 12.000 1.117 3.113 311 HG1 THR 43 HG1 THR 43 12.199 -1.203 1.499 312 1HG2 THR 43 HG2 THR 43 14.207 1.295 2.954 313 2HG2 THR 43 HG2 THR 43 14.054 0.242 1.548 314 3HG2 THR 43 HG2 THR 43 14.454 -0.443 3.123 315 H LYS 44 HN LYS 44 14.524 -1.502 4.531 316 HA LYS 44 HA LYS 44 14.753 -3.782 2.961 317 1HB LYS 44 HB2 LYS 44 16.693 -2.674 3.897 318 2HB LYS 44 HB1 LYS 44 16.180 -3.074 5.530 319 1HG LYS 44 HG2 LYS 44 17.664 -4.746 5.269 320 2HG LYS 44 HG1 LYS 44 16.297 -5.539 4.483 321 1HD LYS 44 HD2 LYS 44 18.007 -5.838 2.944 322 2HD LYS 44 HD1 LYS 44 17.187 -4.400 2.333 323 1HE LYS 44 HE2 LYS 44 19.007 -3.147 2.601 324 2HE LYS 44 HE1 LYS 44 19.235 -3.715 4.256 325 1HZ LYS 44 HZ1 LYS 44 20.846 -5.076 3.609 326 2HZ LYS 44 HZ2 LYS 44 20.820 -4.301 2.106 327 3HZ LYS 44 HZ3 LYS 44 19.923 -5.715 2.343 328 H ARG 45 HN ARG 45 13.720 -3.444 6.325 329 HA ARG 45 HA ARG 45 13.454 -6.219 6.842 330 1HB ARG 45 HB1 ARG 45 13.641 -4.418 8.563 331 2HB ARG 45 HB2 ARG 45 11.982 -3.967 8.189 332 1HG ARG 45 HG1 ARG 45 11.554 -5.361 9.918 333 2HG ARG 45 HG2 ARG 45 11.614 -6.565 8.626 334 1HD ARG 45 HD1 ARG 45 13.176 -7.611 9.802 335 2HD ARG 45 HD2 ARG 45 14.255 -6.274 9.401 336 HE ARG 45 HE ARG 45 12.569 -6.112 11.796 337 1HH1 ARG 45 HH2 ARG 45 15.721 -6.290 10.320 338 2HH1 ARG 45 HH2 ARG 45 16.566 -5.875 11.773 339 1HH2 ARG 45 HH1 ARG 45 13.675 -5.565 13.714 340 2HH2 ARG 45 HH1 ARG 45 15.403 -5.463 13.702 341 H ALA 46 HN ALA 46 11.370 -3.812 5.420 342 HA ALA 46 HA ALA 46 8.892 -5.045 5.683 343 1HB ALA 46 HB1 ALA 46 8.121 -3.450 4.285 344 2HB ALA 46 HB2 ALA 46 9.408 -3.706 3.107 345 3HB ALA 46 HB3 ALA 46 9.718 -2.753 4.559 346 H LEU 47 HN LEU 47 11.360 -5.489 3.170 347 HA LEU 47 HA LEU 47 9.824 -7.327 1.641 348 1HB LEU 47 HB2 LEU 47 12.780 -6.739 1.707 349 2HB LEU 47 HB1 LEU 47 12.048 -7.860 0.578 350 HG LEU 47 HG LEU 47 12.242 -5.934 -0.685 351 1HD1 LEU 47 HD2 LEU 47 9.982 -4.943 -0.901 352 2HD1 LEU 47 HD2 LEU 47 9.504 -5.803 0.562 353 3HD1 LEU 47 HD2 LEU 47 9.979 -6.706 -0.876 354 1HD2 LEU 47 HD1 LEU 47 12.000 -3.712 0.067 355 2HD2 LEU 47 HD1 LEU 47 12.920 -4.554 1.314 356 3HD2 LEU 47 HD1 LEU 47 11.204 -4.224 1.555 357 H GLN 48 HN GLN 48 12.393 -7.749 4.055 358 HA GLN 48 HA GLN 48 12.353 -10.614 3.793 359 1HB GLN 48 HB1 GLN 48 13.998 -8.612 5.117 360 2HB GLN 48 HB2 GLN 48 13.716 -10.016 6.139 361 1HG GLN 48 HG1 GLN 48 15.022 -11.337 4.900 362 2HG GLN 48 HG2 GLN 48 14.427 -10.668 3.380 363 1HE2 GLN 48 HE2 GLN 48 15.241 -8.490 2.819 364 2HE2 GLN 48 HE2 GLN 48 16.885 -8.119 3.198 365 H ASN 49 HN ASN 49 10.456 -8.395 5.491 366 HA ASN 49 HA ASN 49 9.421 -10.558 7.178 367 1HB ASN 49 HB2 ASN 49 10.972 -8.751 8.349 368 2HB ASN 49 HB1 ASN 49 9.489 -7.800 8.324 369 1HD2 ASN 49 HD2 ASN 49 7.698 -8.509 9.504 370 2HD2 ASN 49 HD2 ASN 49 7.854 -9.658 10.784 371 H MET 50 HN MET 50 7.915 -10.533 5.309 372 HA MET 50 HA MET 50 5.904 -8.397 5.540 373 1HB MET 50 HB2 MET 50 5.514 -10.196 3.299 374 2HB MET 50 HB1 MET 50 5.673 -8.446 3.311 375 1HG MET 50 HG2 MET 50 7.625 -8.678 2.311 376 2HG MET 50 HG1 MET 50 8.242 -9.432 3.779 377 1HE MET 50 HE1 MET 50 8.425 -13.027 3.226 378 2HE MET 50 HE2 MET 50 6.772 -12.595 3.664 379 3HE MET 50 HE3 MET 50 8.129 -11.711 4.362 380 H LYS 51 HN LYS 51 3.816 -8.861 6.036 381 HA LYS 51 HA LYS 51 3.280 -11.585 6.955 382 1HB LYS 51 HB1 LYS 51 2.091 -8.907 7.562 383 2HB LYS 51 HB2 LYS 51 1.143 -10.357 7.845 384 1HG LYS 51 HG1 LYS 51 2.271 -9.609 9.853 385 2HG LYS 51 HG2 LYS 51 2.852 -11.197 9.351 386 1HD LYS 51 HD2 LYS 51 4.720 -9.880 8.150 387 2HD LYS 51 HD1 LYS 51 4.232 -8.540 9.190 388 1HE LYS 51 HE2 LYS 51 4.755 -11.208 10.410 389 2HE LYS 51 HE1 LYS 51 6.122 -10.204 9.931 390 1HZ LYS 51 HZ1 LYS 51 5.802 -8.849 11.650 391 2HZ LYS 51 HZ2 LYS 51 4.783 -10.039 12.286 392 3HZ LYS 51 HZ3 LYS 51 4.132 -8.754 11.399 393 HA PRO 52 HA PRO 52 0.652 -12.860 3.690 394 1HB PRO 52 HB1 PRO 52 -1.410 -13.424 5.772 395 2HB PRO 52 HB2 PRO 52 -0.779 -14.474 4.498 396 1HG PRO 52 HG1 PRO 52 0.009 -14.800 7.011 397 2HG PRO 52 HG2 PRO 52 1.170 -14.949 5.678 398 1HD PRO 52 HD2 PRO 52 0.778 -12.705 7.610 399 2HD PRO 52 HD1 PRO 52 2.278 -13.337 6.904 400 H GLY 53 HN GLY 53 -1.083 -10.993 6.196 401 1HA GLY 53 HA1 GLY 53 -2.799 -9.892 4.068 402 2HA GLY 53 HA2 GLY 53 -3.198 -9.915 5.777 403 H GLU 54 HN GLU 54 -0.331 -8.727 3.969 404 HA GLU 54 HA GLU 54 -0.456 -6.292 5.571 405 1HB GLU 54 HB2 GLU 54 1.630 -7.460 3.752 406 2HB GLU 54 HB1 GLU 54 1.718 -5.785 4.283 407 1HG GLU 54 HG1 GLU 54 1.721 -8.229 6.035 408 2HG GLU 54 HG2 GLU 54 3.085 -7.164 5.697 409 H ILE 55 HN ILE 55 -1.153 -4.403 4.866 410 HA ILE 55 HA ILE 55 -1.335 -3.893 1.980 411 HB ILE 55 HB ILE 55 -3.551 -3.006 3.805 412 1HG1 ILE 55 HG1 ILE 55 -4.460 -5.151 2.183 413 2HG1 ILE 55 HG1 ILE 55 -3.007 -5.710 3.006 414 1HG2 ILE 55 HG2 ILE 55 -4.389 -3.518 1.157 415 2HG2 ILE 55 HG2 ILE 55 -2.868 -2.630 1.065 416 3HG2 ILE 55 HG2 ILE 55 -4.226 -1.962 1.971 417 1HD1 ILE 55 HD1 ILE 55 -3.948 -5.364 5.125 418 2HD1 ILE 55 HD1 ILE 55 -5.213 -6.128 4.162 419 3HD1 ILE 55 HD1 ILE 55 -5.266 -4.392 4.470 420 H LEU 56 HN LEU 56 0.492 -2.519 2.229 421 HA LEU 56 HA LEU 56 0.001 -0.135 3.886 422 1HB LEU 56 HB1 LEU 56 2.717 -0.187 3.372 423 2HB LEU 56 HB2 LEU 56 1.929 -0.656 4.866 424 HG LEU 56 HG LEU 56 1.921 -2.830 2.956 425 1HD1 LEU 56 HD1 LEU 56 4.547 -1.528 3.618 426 2HD1 LEU 56 HD1 LEU 56 3.927 -2.010 2.038 427 3HD1 LEU 56 HD1 LEU 56 4.415 -3.238 3.207 428 1HD2 LEU 56 HD2 LEU 56 3.110 -3.919 4.913 429 2HD2 LEU 56 HD2 LEU 56 1.494 -3.280 5.220 430 3HD2 LEU 56 HD2 LEU 56 2.914 -2.379 5.752 431 H GLU 57 HN GLU 57 1.722 1.635 3.119 432 HA GLU 57 HA GLU 57 1.442 1.962 0.211 433 1HB GLU 57 HB2 GLU 57 0.909 4.332 0.532 434 2HB GLU 57 HB1 GLU 57 -0.287 3.308 1.317 435 1HG GLU 57 HG1 GLU 57 1.227 3.664 3.418 436 2HG GLU 57 HG2 GLU 57 1.777 5.080 2.522 437 H VAL 58 HN VAL 58 2.857 3.948 -0.481 438 HA VAL 58 HA VAL 58 5.339 4.039 1.071 439 HB VAL 58 HB VAL 58 5.369 3.529 -1.900 440 1HG1 VAL 58 HG2 VAL 58 7.308 4.584 -0.375 441 2HG1 VAL 58 HG2 VAL 58 7.625 3.559 -1.776 442 3HG1 VAL 58 HG2 VAL 58 7.655 2.868 -0.153 443 1HG2 VAL 58 HG1 VAL 58 6.349 1.327 -0.329 444 2HG2 VAL 58 HG1 VAL 58 5.122 1.341 -1.595 445 3HG2 VAL 58 HG1 VAL 58 4.669 1.677 0.077 446 H TRP 59 HN TRP 59 6.336 5.971 1.050 447 HA TRP 59 HA TRP 59 5.340 8.011 -0.831 448 1HB TRP 59 HB2 TRP 59 4.455 8.556 1.329 449 2HB TRP 59 HB1 TRP 59 6.013 8.288 2.103 450 HD1 TRP 59 HD1 TRP 59 7.658 10.304 2.227 451 HE1 TRP 59 HE1 TRP 59 7.534 12.768 1.492 452 HE3 TRP 59 HE3 TRP 59 3.414 10.091 -0.616 453 HZ2 TRP 59 HZ2 TRP 59 5.859 14.405 -0.083 454 HZ3 TRP 59 HZ3 TRP 59 2.618 12.150 -1.702 455 HH2 TRP 59 HH2 TRP 59 3.817 14.262 -1.441 456 H ILE 60 HN ILE 60 6.935 8.239 -2.280 457 HA ILE 60 HA ILE 60 9.483 9.253 -1.400 458 HB ILE 60 HB ILE 60 10.475 7.365 -3.104 459 1HG1 ILE 60 HG1 ILE 60 9.645 5.180 -2.162 460 2HG1 ILE 60 HG1 ILE 60 8.322 6.073 -1.416 461 1HG2 ILE 60 HG2 ILE 60 10.442 7.791 -0.189 462 2HG2 ILE 60 HG2 ILE 60 11.799 7.682 -1.310 463 3HG2 ILE 60 HG2 ILE 60 11.006 6.213 -0.739 464 1HD1 ILE 60 HD1 ILE 60 7.355 5.282 -3.341 465 2HD1 ILE 60 HD1 ILE 60 8.824 5.493 -4.295 466 3HD1 ILE 60 HD1 ILE 60 7.866 6.898 -3.831 467 H ASP 61 HN ASP 61 10.997 9.275 -3.515 468 HA ASP 61 HA ASP 61 9.373 10.560 -5.596 469 1HB ASP 61 HB1 ASP 61 12.335 10.741 -4.988 470 2HB ASP 61 HB2 ASP 61 11.550 11.539 -6.348 471 H TYR 62 HN TYR 62 11.070 7.743 -4.889 472 HA TYR 62 HA TYR 62 11.042 6.955 -7.721 473 1HB TYR 62 HB1 TYR 62 13.097 5.806 -5.869 474 2HB TYR 62 HB2 TYR 62 13.141 5.963 -7.622 475 HD1 TYR 62 HD1 TYR 62 13.637 8.177 -8.648 476 HD2 TYR 62 HD2 TYR 62 13.951 7.519 -4.457 477 HE1 TYR 62 HE1 TYR 62 14.998 10.214 -8.437 478 HE2 TYR 62 HE2 TYR 62 15.313 9.554 -4.234 479 HH TYR 62 HH TYR 62 15.560 11.877 -6.640 480 HA PRO 63 HA PRO 63 8.164 3.887 -6.249 481 1HB PRO 63 HB2 PRO 63 9.381 2.374 -8.522 482 2HB PRO 63 HB1 PRO 63 7.678 2.605 -8.108 483 1HG PRO 63 HG2 PRO 63 8.792 3.997 -10.084 484 2HG PRO 63 HG1 PRO 63 7.621 4.752 -8.987 485 1HD PRO 63 HD1 PRO 63 10.577 5.072 -9.115 486 2HD PRO 63 HD2 PRO 63 9.332 6.244 -8.640 487 H MET 64 HN MET 64 8.945 3.108 -4.338 488 HA MET 64 HA MET 64 11.366 1.686 -4.023 489 1HB MET 64 HB1 MET 64 10.024 2.853 -2.215 490 2HB MET 64 HB2 MET 64 8.937 1.471 -2.243 491 1HG MET 64 HG1 MET 64 11.810 0.882 -1.922 492 2HG MET 64 HG2 MET 64 11.008 1.685 -0.572 493 1HE MET 64 HE1 MET 64 12.076 -1.746 -0.174 494 2HE MET 64 HE2 MET 64 12.286 -1.134 -1.815 495 3HE MET 64 HE3 MET 64 11.265 -2.541 -1.523 496 H SER 65 HN SER 65 8.295 0.780 -5.217 497 HA SER 65 HA SER 65 8.256 -1.954 -4.574 498 1HB SER 65 HB1 SER 65 6.480 -2.136 -6.058 499 2HB SER 65 HB2 SER 65 6.438 -0.416 -5.674 500 HG SER 65 HG SER 65 6.912 0.022 -7.672 501 H LYS 66 HN LYS 66 10.408 -0.229 -6.470 502 HA LYS 66 HA LYS 66 10.986 -1.964 -8.584 503 1HB LYS 66 HB1 LYS 66 13.220 -0.902 -8.592 504 2HB LYS 66 HB2 LYS 66 11.919 0.276 -8.485 505 1HG LYS 66 HG1 LYS 66 12.307 0.536 -6.108 506 2HG LYS 66 HG2 LYS 66 13.558 -0.709 -6.157 507 1HD LYS 66 HD1 LYS 66 13.898 1.517 -8.058 508 2HD LYS 66 HD2 LYS 66 14.055 1.938 -6.351 509 1HE LYS 66 HE2 LYS 66 15.901 0.600 -6.049 510 2HE LYS 66 HE1 LYS 66 15.475 -0.469 -7.385 511 1HZ LYS 66 HZ1 LYS 66 15.981 1.482 -8.875 512 2HZ LYS 66 HZ2 LYS 66 17.310 0.772 -8.108 513 3HZ LYS 66 HZ3 LYS 66 16.679 2.231 -7.528 514 H GLU 67 HN GLU 67 12.017 -1.972 -5.223 515 HA GLU 67 HA GLU 67 13.662 -4.348 -5.647 516 1HB GLU 67 HB1 GLU 67 13.751 -2.183 -3.828 517 2HB GLU 67 HB2 GLU 67 13.384 -3.617 -2.878 518 1HG GLU 67 HG2 GLU 67 15.569 -3.989 -2.850 519 2HG GLU 67 HG1 GLU 67 15.404 -4.467 -4.539 520 H ARG 68 HN ARG 68 10.564 -3.363 -4.509 521 HA ARG 68 HA ARG 68 9.923 -5.580 -2.895 522 1HB ARG 68 HB1 ARG 68 8.277 -3.593 -4.439 523 2HB ARG 68 HB2 ARG 68 7.513 -4.936 -3.599 524 1HG ARG 68 HG1 ARG 68 9.050 -3.996 -1.615 525 2HG ARG 68 HG2 ARG 68 8.791 -2.506 -2.525 526 1HD ARG 68 HD2 ARG 68 6.353 -2.945 -2.456 527 2HD ARG 68 HD1 ARG 68 6.668 -4.347 -1.434 528 HE ARG 68 HE ARG 68 6.833 -1.552 -0.668 529 1HH1 ARG 68 HH1 ARG 68 7.506 -4.874 0.147 530 2HH1 ARG 68 HH1 ARG 68 7.659 -4.560 1.844 531 1HH2 ARG 68 HH2 ARG 68 7.034 -1.132 1.565 532 2HH2 ARG 68 HH2 ARG 68 7.391 -2.434 2.649 533 H ILE 69 HN ILE 69 9.602 -5.021 -6.379 534 HA ILE 69 HA ILE 69 8.109 -7.253 -7.044 535 HB ILE 69 HB ILE 69 10.267 -5.982 -8.722 536 1HG1 ILE 69 HG1 ILE 69 7.363 -5.450 -9.120 537 2HG1 ILE 69 HG1 ILE 69 8.151 -4.669 -7.753 538 1HG2 ILE 69 HG2 ILE 69 7.929 -7.711 -9.518 539 2HG2 ILE 69 HG2 ILE 69 9.628 -8.184 -9.545 540 3HG2 ILE 69 HG2 ILE 69 9.048 -6.916 -10.625 541 1HD1 ILE 69 HD1 ILE 69 9.683 -4.417 -10.200 542 2HD1 ILE 69 HD1 ILE 69 9.150 -3.182 -9.059 543 3HD1 ILE 69 HD1 ILE 69 8.063 -3.733 -10.333 544 HA PRO 70 HA PRO 70 12.285 -9.690 -7.927 545 1HB PRO 70 HB1 PRO 70 14.261 -8.888 -6.111 546 2HB PRO 70 HB2 PRO 70 14.245 -8.574 -7.847 547 1HG PRO 70 HG2 PRO 70 13.462 -6.804 -5.592 548 2HG PRO 70 HG1 PRO 70 14.203 -6.388 -7.148 549 1HD PRO 70 HD1 PRO 70 11.605 -5.917 -6.643 550 2HD PRO 70 HD2 PRO 70 12.173 -6.391 -8.257 551 H GLU 71 HN GLU 71 11.531 -8.433 -4.698 552 HA GLU 71 HA GLU 71 12.192 -10.863 -3.351 553 1HB GLU 71 HB1 GLU 71 10.615 -8.421 -2.548 554 2HB GLU 71 HB2 GLU 71 10.824 -9.795 -1.472 555 1HG GLU 71 HG2 GLU 71 13.135 -8.328 -2.704 556 2HG GLU 71 HG1 GLU 71 12.417 -7.870 -1.159 557 H THR 72 HN THR 72 8.990 -9.320 -3.733 558 HA THR 72 HA THR 72 7.518 -11.565 -2.990 559 HB THR 72 HB THR 72 6.109 -9.941 -4.944 560 HG1 THR 72 HG1 THR 72 6.317 -7.988 -3.847 561 1HG2 THR 72 HG2 THR 72 4.468 -9.873 -3.401 562 2HG2 THR 72 HG2 THR 72 5.588 -9.687 -2.050 563 3HG2 THR 72 HG2 THR 72 5.346 -11.273 -2.785 564 H VAL 73 HN VAL 73 9.041 -10.818 -6.020 565 HA VAL 73 HA VAL 73 7.454 -12.642 -7.568 566 HB VAL 73 HB VAL 73 8.780 -10.647 -8.480 567 1HG1 VAL 73 HG1 VAL 73 11.035 -10.980 -9.121 568 2HG1 VAL 73 HG1 VAL 73 10.990 -12.681 -8.653 569 3HG1 VAL 73 HG1 VAL 73 10.932 -11.424 -7.418 570 1HG2 VAL 73 HG2 VAL 73 8.390 -13.329 -9.653 571 2HG2 VAL 73 HG2 VAL 73 9.425 -12.216 -10.548 572 3HG2 VAL 73 HG2 VAL 73 7.764 -11.761 -10.166 573 H LYS 74 HN LYS 74 10.315 -12.825 -5.616 574 HA LYS 74 HA LYS 74 11.419 -15.227 -6.571 575 1HB LYS 74 HB2 LYS 74 11.999 -13.479 -4.521 576 2HB LYS 74 HB1 LYS 74 11.457 -14.908 -3.651 577 1HG LYS 74 HG1 LYS 74 13.494 -15.739 -3.889 578 2HG LYS 74 HG2 LYS 74 13.193 -15.855 -5.624 579 1HD LYS 74 HD2 LYS 74 14.618 -14.200 -6.066 580 2HD LYS 74 HD1 LYS 74 13.886 -13.156 -4.845 581 1HE LYS 74 HE1 LYS 74 15.171 -14.670 -3.166 582 2HE LYS 74 HE2 LYS 74 16.146 -15.097 -4.571 583 1HZ LYS 74 HZ1 LYS 74 16.011 -12.596 -3.098 584 2HZ LYS 74 HZ2 LYS 74 16.139 -12.453 -4.779 585 3HZ LYS 74 HZ3 LYS 74 17.314 -13.307 -3.911 586 H LYS 75 HN LYS 75 8.910 -14.517 -4.203 587 HA LYS 75 HA LYS 75 8.236 -17.348 -3.945 588 1HB LYS 75 HB1 LYS 75 6.658 -15.109 -2.713 589 2HB LYS 75 HB2 LYS 75 6.881 -16.753 -2.133 590 1HG LYS 75 HG1 LYS 75 8.401 -15.939 -0.742 591 2HG LYS 75 HG2 LYS 75 9.439 -15.696 -2.148 592 1HD LYS 75 HD2 LYS 75 9.418 -13.590 -1.196 593 2HD LYS 75 HD1 LYS 75 8.132 -13.463 -2.398 594 1HE LYS 75 HE2 LYS 75 7.543 -12.520 -0.167 595 2HE LYS 75 HE1 LYS 75 6.447 -13.780 -0.733 596 1HZ LYS 75 HZ1 LYS 75 7.287 -15.301 0.782 597 2HZ LYS 75 HZ2 LYS 75 7.247 -13.866 1.677 598 3HZ LYS 75 HZ3 LYS 75 8.712 -14.429 1.044 599 H LEU 76 HN LEU 76 6.088 -14.541 -4.277 600 HA LEU 76 HA LEU 76 4.496 -16.045 -6.230 601 1HB LEU 76 HB1 LEU 76 2.961 -13.917 -5.783 602 2HB LEU 76 HB2 LEU 76 2.934 -15.330 -4.741 603 HG LEU 76 HG LEU 76 4.884 -13.248 -3.986 604 1HD1 LEU 76 HD2 LEU 76 3.469 -11.538 -4.159 605 2HD1 LEU 76 HD2 LEU 76 2.597 -12.277 -2.814 606 3HD1 LEU 76 HD2 LEU 76 2.092 -12.598 -4.474 607 1HD2 LEU 76 HD1 LEU 76 4.746 -14.900 -2.407 608 2HD2 LEU 76 HD1 LEU 76 3.024 -15.168 -2.676 609 3HD2 LEU 76 HD1 LEU 76 3.566 -13.755 -1.770 610 H GLY 77 HN GLY 77 4.213 -12.614 -6.093 611 1HA GLY 77 HA2 GLY 77 5.926 -12.216 -8.427 612 2HA GLY 77 HA1 GLY 77 4.214 -11.856 -8.608 613 H HIS 78 HN HIS 78 3.293 -10.170 -7.324 614 HA HIS 78 HA HIS 78 5.100 -8.455 -5.854 615 1HB HIS 78 HB2 HIS 78 5.143 -7.737 -8.310 616 2HB HIS 78 HB1 HIS 78 3.496 -7.191 -8.024 617 HD2 HIS 78 HD2 HIS 78 6.741 -6.584 -5.861 618 HE1 HIS 78 HE1 HIS 78 4.775 -2.923 -6.662 619 HE2 HIS 78 HE2 HIS 78 6.732 -4.018 -5.479 620 H GLU 79 HN GLU 79 3.814 -6.479 -5.016 621 HA GLU 79 HA GLU 79 1.179 -7.426 -4.140 622 1HB GLU 79 HB2 GLU 79 2.771 -5.359 -2.667 623 2HB GLU 79 HB1 GLU 79 1.567 -6.478 -2.051 624 1HG GLU 79 HG2 GLU 79 3.148 -7.892 -1.437 625 2HG GLU 79 HG1 GLU 79 3.754 -7.973 -3.091 626 H VAL 80 HN VAL 80 0.628 -6.401 -6.324 627 HA VAL 80 HA VAL 80 0.577 -3.482 -6.224 628 HB VAL 80 HB VAL 80 -0.587 -4.723 -8.599 629 1HG1 VAL 80 HG1 VAL 80 1.134 -3.211 -9.669 630 2HG1 VAL 80 HG1 VAL 80 1.565 -2.699 -8.036 631 3HG1 VAL 80 HG1 VAL 80 -0.066 -2.418 -8.647 632 1HG2 VAL 80 HG2 VAL 80 1.969 -5.202 -9.287 633 2HG2 VAL 80 HG2 VAL 80 0.874 -6.446 -8.684 634 3HG2 VAL 80 HG2 VAL 80 2.018 -5.672 -7.588 635 H LEU 81 HN LEU 81 -1.148 -2.410 -5.599 636 HA LEU 81 HA LEU 81 -3.793 -3.545 -6.112 637 1HB LEU 81 HB2 LEU 81 -4.600 -3.178 -3.970 638 2HB LEU 81 HB1 LEU 81 -3.002 -3.838 -3.696 639 HG LEU 81 HG LEU 81 -2.503 -1.141 -3.712 640 1HD1 LEU 81 HD1 LEU 81 -5.050 -1.488 -2.155 641 2HD1 LEU 81 HD1 LEU 81 -5.016 -0.832 -3.791 642 3HD1 LEU 81 HD1 LEU 81 -4.163 -0.001 -2.490 643 1HD2 LEU 81 HD2 LEU 81 -1.474 -2.012 -1.939 644 2HD2 LEU 81 HD2 LEU 81 -2.671 -3.300 -1.766 645 3HD2 LEU 81 HD2 LEU 81 -2.971 -1.710 -1.058 646 H GLU 82 HN GLU 82 -1.893 -0.667 -5.355 647 HA GLU 82 HA GLU 82 -3.563 0.861 -7.168 648 1HB GLU 82 HB2 GLU 82 -4.237 0.897 -4.487 649 2HB GLU 82 HB1 GLU 82 -3.273 2.355 -4.681 650 1HG GLU 82 HG2 GLU 82 -4.897 2.518 -6.840 651 2HG GLU 82 HG1 GLU 82 -5.947 1.701 -5.683 652 H ILE 83 HN ILE 83 -2.678 2.834 -7.835 653 HA ILE 83 HA ILE 83 -0.010 3.544 -6.870 654 HB ILE 83 HB ILE 83 -0.489 3.392 -9.833 655 1HG1 ILE 83 HG1 ILE 83 1.252 1.295 -9.007 656 2HG1 ILE 83 HG1 ILE 83 -0.234 1.156 -8.073 657 1HG2 ILE 83 HG2 ILE 83 1.345 4.732 -9.430 658 2HG2 ILE 83 HG2 ILE 83 2.091 3.151 -9.660 659 3HG2 ILE 83 HG2 ILE 83 1.860 3.789 -8.032 660 1HD1 ILE 83 HD1 ILE 83 -1.176 0.157 -9.799 661 2HD1 ILE 83 HD1 ILE 83 0.268 0.421 -10.777 662 3HD1 ILE 83 HD1 ILE 83 -1.001 1.645 -10.729 663 H GLU 84 HN GLU 84 0.435 5.747 -7.027 664 HA GLU 84 HA GLU 84 -1.265 7.469 -8.607 665 1HB GLU 84 HB2 GLU 84 -2.172 8.746 -6.776 666 2HB GLU 84 HB1 GLU 84 -2.601 7.056 -6.551 667 1HG GLU 84 HG1 GLU 84 -1.079 6.782 -4.798 668 2HG GLU 84 HG2 GLU 84 -0.205 8.257 -5.212 669 H GLU 85 HN GLU 85 -0.748 9.859 -7.989 670 HA GLU 85 HA GLU 85 2.087 10.158 -7.292 671 1HB GLU 85 HB1 GLU 85 2.501 11.601 -9.183 672 2HB GLU 85 HB2 GLU 85 1.873 10.067 -9.770 673 1HG GLU 85 HG1 GLU 85 -0.387 11.619 -9.435 674 2HG GLU 85 HG2 GLU 85 0.814 12.745 -10.065 675 H VAL 86 HN VAL 86 2.585 12.643 -7.267 676 HA VAL 86 HA VAL 86 0.343 14.158 -6.159 677 HB VAL 86 HB VAL 86 1.077 13.300 -4.147 678 1HG1 VAL 86 HG2 VAL 86 3.080 12.195 -5.245 679 2HG1 VAL 86 HG2 VAL 86 3.279 12.710 -3.566 680 3HG1 VAL 86 HG2 VAL 86 3.969 13.675 -4.871 681 1HG2 VAL 86 HG1 VAL 86 1.764 15.127 -2.963 682 2HG2 VAL 86 HG1 VAL 86 1.295 15.899 -4.479 683 3HG2 VAL 86 HG1 VAL 86 2.996 15.569 -4.144 684 H GLY 87 HN GLY 87 3.872 14.265 -6.717 685 1HA GLY 87 HA1 GLY 87 3.479 16.975 -7.831 686 2HA GLY 87 HA2 GLY 87 4.869 16.554 -6.840 687 HA PRO 88 HA PRO 88 6.274 16.283 -11.241 688 1HB PRO 88 HB2 PRO 88 8.863 16.668 -9.847 689 2HB PRO 88 HB1 PRO 88 8.214 17.497 -11.264 690 1HG PRO 88 HG2 PRO 88 8.326 18.713 -8.890 691 2HG PRO 88 HG1 PRO 88 6.958 18.969 -9.991 692 1HD PRO 88 HD1 PRO 88 7.125 17.271 -7.534 693 2HD PRO 88 HD2 PRO 88 5.787 18.283 -8.116 694 H SER 89 HN SER 89 8.810 15.232 -9.011 695 HA SER 89 HA SER 89 8.714 12.588 -10.262 696 1HB SER 89 HB1 SER 89 10.962 12.865 -8.518 697 2HB SER 89 HB2 SER 89 10.950 12.730 -10.277 698 HG SER 89 HG SER 89 11.899 14.665 -9.786 699 H GLU 90 HN GLU 90 7.527 14.059 -7.596 700 HA GLU 90 HA GLU 90 7.956 11.816 -5.773 701 1HB GLU 90 HB2 GLU 90 6.509 13.317 -4.236 702 2HB GLU 90 HB1 GLU 90 8.159 13.809 -4.586 703 1HG GLU 90 HG1 GLU 90 7.261 15.294 -6.373 704 2HG GLU 90 HG2 GLU 90 5.639 14.892 -5.814 705 H TRP 91 HN TRP 91 6.453 10.317 -5.311 706 HA TRP 91 HA TRP 91 3.664 10.764 -5.961 707 1HB TRP 91 HB2 TRP 91 3.782 8.395 -7.162 708 2HB TRP 91 HB1 TRP 91 4.040 9.894 -8.047 709 HD1 TRP 91 HD1 TRP 91 6.369 7.482 -6.064 710 HE1 TRP 91 HE1 TRP 91 8.497 7.125 -7.467 711 HE3 TRP 91 HE3 TRP 91 5.212 10.447 -10.065 712 HZ2 TRP 91 HZ2 TRP 91 9.545 7.986 -9.941 713 HZ3 TRP 91 HZ3 TRP 91 6.832 10.627 -11.908 714 HH2 TRP 91 HH2 TRP 91 8.953 9.420 -11.845 715 H LYS 92 HN LYS 92 2.388 8.660 -5.473 716 HA LYS 92 HA LYS 92 3.534 7.392 -3.074 717 1HB LYS 92 HB1 LYS 92 1.199 9.014 -3.291 718 2HB LYS 92 HB2 LYS 92 0.682 7.368 -2.950 719 1HG LYS 92 HG1 LYS 92 1.956 7.294 -0.946 720 2HG LYS 92 HG2 LYS 92 2.770 8.811 -1.339 721 1HD LYS 92 HD1 LYS 92 0.659 10.012 -1.140 722 2HD LYS 92 HD2 LYS 92 -0.182 8.500 -0.793 723 1HE LYS 92 HE2 LYS 92 2.025 9.687 0.884 724 2HE LYS 92 HE1 LYS 92 0.303 9.809 1.239 725 1HZ LYS 92 HZ1 LYS 92 1.882 7.299 1.097 726 2HZ LYS 92 HZ2 LYS 92 0.216 7.384 1.380 727 3HZ LYS 92 HZ3 LYS 92 1.299 8.034 2.505 728 H ILE 93 HN ILE 93 3.155 5.204 -2.801 729 HA ILE 93 HA ILE 93 1.768 3.850 -5.023 730 HB ILE 93 HB ILE 93 3.925 2.340 -3.711 731 1HG1 ILE 93 HG1 ILE 93 4.857 4.689 -3.932 732 2HG1 ILE 93 HG1 ILE 93 5.761 3.428 -4.764 733 1HG2 ILE 93 HG2 ILE 93 3.370 1.106 -5.474 734 2HG2 ILE 93 HG2 ILE 93 4.257 2.277 -6.453 735 3HG2 ILE 93 HG2 ILE 93 2.514 2.446 -6.239 736 1HD1 ILE 93 HD1 ILE 93 5.600 4.546 -6.657 737 2HD1 ILE 93 HD1 ILE 93 4.723 5.825 -5.815 738 3HD1 ILE 93 HD1 ILE 93 3.839 4.495 -6.565 739 H TYR 94 HN TYR 94 0.761 1.862 -4.541 740 HA TYR 94 HA TYR 94 0.322 1.380 -1.669 741 1HB TYR 94 HB1 TYR 94 -1.622 1.381 -3.955 742 2HB TYR 94 HB2 TYR 94 -1.927 0.380 -2.541 743 HD1 TYR 94 HD1 TYR 94 -3.233 1.284 -0.876 744 HD2 TYR 94 HD2 TYR 94 -0.950 3.907 -3.328 745 HE1 TYR 94 HE1 TYR 94 -4.210 3.214 0.291 746 HE2 TYR 94 HE2 TYR 94 -1.921 5.846 -2.167 747 HH TYR 94 HH TYR 94 -3.503 5.654 0.727 748 H ILE 95 HN ILE 95 1.010 -0.512 -0.997 749 HA ILE 95 HA ILE 95 1.248 -2.719 -2.934 750 HB ILE 95 HB ILE 95 3.298 -1.434 -1.524 751 1HG1 ILE 95 HG1 ILE 95 4.637 -3.467 -2.396 752 2HG1 ILE 95 HG1 ILE 95 3.103 -4.006 -3.068 753 1HG2 ILE 95 HG2 ILE 95 4.204 -2.965 0.021 754 2HG2 ILE 95 HG2 ILE 95 3.044 -4.218 -0.422 755 3HG2 ILE 95 HG2 ILE 95 2.504 -2.787 0.456 756 1HD1 ILE 95 HD1 ILE 95 4.807 -2.558 -4.458 757 2HD1 ILE 95 HD1 ILE 95 3.966 -1.234 -3.653 758 3HD1 ILE 95 HD1 ILE 95 3.063 -2.378 -4.646 759 H LYS 96 HN LYS 96 0.907 -4.857 -2.118 760 HA LYS 96 HA LYS 96 -0.225 -5.069 0.566 761 1HB LYS 96 HB1 LYS 96 -2.262 -6.246 -0.463 762 2HB LYS 96 HB2 LYS 96 -2.205 -4.494 -0.539 763 1HG LYS 96 HG2 LYS 96 -2.535 -4.645 -2.719 764 2HG LYS 96 HG1 LYS 96 -0.941 -5.385 -2.861 765 1HD LYS 96 HD1 LYS 96 -1.800 -7.399 -3.288 766 2HD LYS 96 HD2 LYS 96 -2.982 -7.264 -1.983 767 1HE LYS 96 HE2 LYS 96 -3.829 -5.467 -3.950 768 2HE LYS 96 HE1 LYS 96 -3.334 -6.918 -4.823 769 1HZ LYS 96 HZ1 LYS 96 -5.086 -8.041 -4.072 770 2HZ LYS 96 HZ2 LYS 96 -5.730 -6.545 -3.614 771 3HZ LYS 96 HZ3 LYS 96 -4.896 -7.488 -2.485 772 H VAL 97 HN VAL 97 1.244 -6.561 1.220 773 HA VAL 97 HA VAL 97 2.213 -8.704 -0.310 774 HB VAL 97 HB VAL 97 1.947 -8.697 2.694 775 1HG1 VAL 97 HG2 VAL 97 3.145 -10.473 0.785 776 2HG1 VAL 97 HG2 VAL 97 3.001 -10.646 2.534 777 3HG1 VAL 97 HG2 VAL 97 4.384 -9.797 1.843 778 1HG2 VAL 97 HG1 VAL 97 3.833 -7.379 2.917 779 2HG2 VAL 97 HG1 VAL 97 2.994 -6.604 1.572 780 3HG2 VAL 97 HG1 VAL 97 4.362 -7.673 1.260 781 H LYS 98 HN LYS 98 1.138 -10.394 -1.068 782 HA LYS 98 HA LYS 98 -1.401 -11.162 0.127 783 1HB LYS 98 HB2 LYS 98 -0.869 -10.929 -2.413 784 2HB LYS 98 HB1 LYS 98 -0.154 -12.526 -2.238 785 1HG LYS 98 HG2 LYS 98 -2.140 -13.509 -2.276 786 2HG LYS 98 HG1 LYS 98 -2.780 -12.419 -1.044 787 1HD LYS 98 HD1 LYS 98 -4.129 -11.797 -2.761 788 2HD LYS 98 HD2 LYS 98 -2.764 -10.736 -3.117 789 1HE LYS 98 HE2 LYS 98 -1.883 -12.578 -4.604 790 2HE LYS 98 HE1 LYS 98 -3.441 -13.375 -4.397 791 1HZ LYS 98 HZ1 LYS 98 -4.061 -12.177 -6.153 792 2HZ LYS 98 HZ2 LYS 98 -2.742 -11.124 -6.037 793 3HZ LYS 98 HZ3 LYS 98 -4.126 -10.852 -5.104 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -21.197 7.017 21.791 2 2H GLY 1 HT2 GLY 1 -21.037 8.296 20.697 3 3H GLY 1 HT3 GLY 1 -21.360 8.613 22.326 4 1HA GLY 1 HA2 GLY 1 -18.941 8.808 21.330 5 2HA GLY 1 HA1 GLY 1 -19.239 8.308 22.988 6 H SER 2 HN SER 2 -20.349 5.713 22.161 7 HA SER 2 HA SER 2 -17.798 4.394 21.527 8 1HB SER 2 HB2 SER 2 -18.762 3.831 23.727 9 2HB SER 2 HB1 SER 2 -20.236 3.274 22.936 10 HG SER 2 HG SER 2 -17.646 2.200 22.493 11 H SER 3 HN SER 3 -21.238 3.506 21.212 12 HA SER 3 HA SER 3 -20.705 2.793 18.405 13 1HB SER 3 HB2 SER 3 -22.695 1.233 20.013 14 2HB SER 3 HB1 SER 3 -21.767 0.739 18.597 15 HG SER 3 HG SER 3 -20.662 1.214 21.167 16 H HIS 4 HN HIS 4 -22.339 4.795 20.392 17 HA HIS 4 HA HIS 4 -24.819 4.807 18.834 18 1HB HIS 4 HB2 HIS 4 -24.417 5.103 21.517 19 2HB HIS 4 HB1 HIS 4 -24.490 6.784 20.997 20 HD2 HIS 4 HD2 HIS 4 -26.773 3.686 20.059 21 HE1 HIS 4 HE1 HIS 4 -29.152 7.008 21.167 22 HE2 HIS 4 HE2 HIS 4 -29.182 4.600 20.369 23 H HIS 5 HN HIS 5 -22.450 5.623 17.523 24 HA HIS 5 HA HIS 5 -22.113 8.428 17.518 25 1HB HIS 5 HB1 HIS 5 -20.629 6.497 16.514 26 2HB HIS 5 HB2 HIS 5 -21.587 6.790 15.066 27 HD2 HIS 5 HD2 HIS 5 -19.349 7.822 13.756 28 HE1 HIS 5 HE1 HIS 5 -19.098 11.270 16.200 29 HE2 HIS 5 HE2 HIS 5 -18.261 10.156 14.080 30 H HIS 6 HN HIS 6 -22.499 9.757 15.482 31 HA HIS 6 HA HIS 6 -25.280 9.951 15.045 32 1HB HIS 6 HB2 HIS 6 -22.852 11.345 14.072 33 2HB HIS 6 HB1 HIS 6 -24.279 11.466 13.046 34 HD2 HIS 6 HD2 HIS 6 -24.048 11.762 16.983 35 HE1 HIS 6 HE1 HIS 6 -25.947 15.176 15.351 36 HE2 HIS 6 HE2 HIS 6 -25.228 14.017 17.489 37 H HIS 7 HN HIS 7 -26.529 9.539 13.225 38 HA HIS 7 HA HIS 7 -25.806 7.211 11.750 39 1HB HIS 7 HB2 HIS 7 -28.162 9.085 11.674 40 2HB HIS 7 HB1 HIS 7 -27.991 7.783 10.500 41 HD2 HIS 7 HD2 HIS 7 -30.510 7.383 12.261 42 HE1 HIS 7 HE1 HIS 7 -28.129 4.908 14.735 43 HE2 HIS 7 HE2 HIS 7 -30.499 5.559 14.106 44 H HIS 8 HN HIS 8 -25.174 6.974 9.659 45 HA HIS 8 HA HIS 8 -24.190 9.375 8.325 46 1HB HIS 8 HB2 HIS 8 -23.768 6.463 7.617 47 2HB HIS 8 HB1 HIS 8 -22.933 7.837 6.900 48 HD2 HIS 8 HD2 HIS 8 -20.617 8.476 8.091 49 HE1 HIS 8 HE1 HIS 8 -21.261 6.343 11.690 50 HE2 HIS 8 HE2 HIS 8 -19.604 7.729 10.360 51 H HIS 9 HN HIS 9 -25.072 10.219 6.537 52 HA HIS 9 HA HIS 9 -27.405 8.848 5.403 53 1HB HIS 9 HB2 HIS 9 -27.136 11.430 6.283 54 2HB HIS 9 HB1 HIS 9 -26.885 11.614 4.550 55 HD2 HIS 9 HD2 HIS 9 -29.117 9.767 3.289 56 HE1 HIS 9 HE1 HIS 9 -31.786 11.729 5.925 57 HE2 HIS 9 HE2 HIS 9 -31.595 10.314 3.829 58 H SER 10 HN SER 10 -25.313 11.283 3.910 59 HA SER 10 HA SER 10 -25.323 9.848 1.427 60 1HB SER 10 HB2 SER 10 -24.739 12.514 2.300 61 2HB SER 10 HB1 SER 10 -23.378 11.915 1.352 62 HG SER 10 HG SER 10 -25.926 11.426 0.350 63 H SER 11 HN SER 11 -23.465 9.622 4.204 64 HA SER 11 HA SER 11 -20.930 9.041 3.002 65 1HB SER 11 HB2 SER 11 -21.980 8.456 5.783 66 2HB SER 11 HB1 SER 11 -20.304 8.255 5.273 67 HG SER 11 HG SER 11 -20.078 10.277 5.752 68 H GLY 12 HN GLY 12 -22.778 6.845 5.100 69 1HA GLY 12 HA2 GLY 12 -21.739 4.543 3.748 70 2HA GLY 12 HA1 GLY 12 -22.935 4.544 5.036 71 H LEU 13 HN LEU 13 -22.402 4.564 1.609 72 HA LEU 13 HA LEU 13 -25.134 4.908 0.857 73 1HB LEU 13 HB2 LEU 13 -22.587 4.527 -0.465 74 2HB LEU 13 HB1 LEU 13 -23.834 3.547 -1.212 75 HG LEU 13 HG LEU 13 -25.223 5.711 -1.300 76 1HD1 LEU 13 HD2 LEU 13 -22.933 6.678 0.042 77 2HD1 LEU 13 HD2 LEU 13 -24.350 7.582 -0.493 78 3HD1 LEU 13 HD2 LEU 13 -22.955 7.416 -1.560 79 1HD2 LEU 13 HD1 LEU 13 -22.830 5.954 -3.045 80 2HD2 LEU 13 HD1 LEU 13 -24.544 6.040 -3.453 81 3HD2 LEU 13 HD1 LEU 13 -23.788 4.477 -3.140 82 H VAL 14 HN VAL 14 -23.138 2.057 0.132 83 HA VAL 14 HA VAL 14 -25.488 0.367 0.393 84 HB VAL 14 HB VAL 14 -23.914 -1.451 -0.380 85 1HG1 VAL 14 HG2 VAL 14 -23.972 0.862 -2.293 86 2HG1 VAL 14 HG2 VAL 14 -25.438 -0.002 -1.829 87 3HG1 VAL 14 HG2 VAL 14 -24.127 -0.861 -2.638 88 1HG2 VAL 14 HG1 VAL 14 -22.051 0.859 -0.913 89 2HG2 VAL 14 HG1 VAL 14 -21.777 -0.841 -1.296 90 3HG2 VAL 14 HG1 VAL 14 -21.841 -0.316 0.387 91 HA PRO 15 HA PRO 15 -24.344 -1.028 4.447 92 1HB PRO 15 HB2 PRO 15 -26.135 -3.261 4.240 93 2HB PRO 15 HB1 PRO 15 -26.401 -1.727 5.066 94 1HG PRO 15 HG2 PRO 15 -27.766 -2.548 2.818 95 2HG PRO 15 HG1 PRO 15 -27.582 -0.859 3.324 96 1HD PRO 15 HD1 PRO 15 -26.082 -2.388 1.238 97 2HD PRO 15 HD2 PRO 15 -26.634 -0.699 1.223 98 H ARG 16 HN ARG 16 -22.652 -1.951 2.275 99 HA ARG 16 HA ARG 16 -22.334 -4.792 2.533 100 1HB ARG 16 HB2 ARG 16 -21.676 -3.127 0.573 101 2HB ARG 16 HB1 ARG 16 -20.155 -3.065 1.452 102 1HG ARG 16 HG2 ARG 16 -19.724 -4.773 0.007 103 2HG ARG 16 HG1 ARG 16 -20.374 -5.679 1.375 104 1HD ARG 16 HD2 ARG 16 -21.459 -6.549 -0.522 105 2HD ARG 16 HD1 ARG 16 -22.636 -5.484 0.247 106 HE ARG 16 HE ARG 16 -21.131 -4.890 -2.209 107 1HH1 ARG 16 HH1 ARG 16 -23.768 -4.245 -0.022 108 2HH1 ARG 16 HH1 ARG 16 -24.554 -3.136 -1.096 109 1HH2 ARG 16 HH2 ARG 16 -22.161 -3.432 -3.626 110 2HH2 ARG 16 HH2 ARG 16 -23.642 -2.673 -3.143 111 H GLY 17 HN GLY 17 -19.761 -2.389 2.992 112 1HA GLY 17 HA2 GLY 17 -18.499 -4.027 4.981 113 2HA GLY 17 HA1 GLY 17 -17.971 -2.438 4.452 114 H SER 18 HN SER 18 -20.100 -4.179 6.629 115 HA SER 18 HA SER 18 -21.096 -1.863 7.962 116 1HB SER 18 HB1 SER 18 -21.544 -4.686 8.054 117 2HB SER 18 HB2 SER 18 -21.216 -4.120 9.693 118 HG SER 18 HG SER 18 -23.041 -3.056 9.694 119 H HIS 19 HN HIS 19 -19.249 -4.463 9.516 120 HA HIS 19 HA HIS 19 -18.046 -2.548 11.318 121 1HB HIS 19 HB1 HIS 19 -18.141 -5.535 11.134 122 2HB HIS 19 HB2 HIS 19 -16.889 -4.779 12.116 123 HD2 HIS 19 HD2 HIS 19 -19.251 -6.534 13.532 124 HE1 HIS 19 HE1 HIS 19 -20.666 -2.742 14.772 125 HE2 HIS 19 HE2 HIS 19 -20.776 -5.242 15.187 126 H MET 20 HN MET 20 -16.396 -5.309 9.835 127 HA MET 20 HA MET 20 -14.013 -3.723 9.480 128 1HB MET 20 HB2 MET 20 -13.141 -5.920 8.488 129 2HB MET 20 HB1 MET 20 -13.565 -5.913 10.194 130 1HG MET 20 HG2 MET 20 -15.833 -6.647 8.582 131 2HG MET 20 HG1 MET 20 -14.448 -7.679 8.232 132 1HE MET 20 HE1 MET 20 -16.810 -9.699 10.195 133 2HE MET 20 HE2 MET 20 -17.134 -8.338 9.120 134 3HE MET 20 HE3 MET 20 -17.548 -8.227 10.831 135 H ALA 21 HN ALA 21 -13.358 -2.747 7.670 136 HA ALA 21 HA ALA 21 -15.058 -2.763 5.349 137 1HB ALA 21 HB1 ALA 21 -12.728 -1.392 4.686 138 2HB ALA 21 HB2 ALA 21 -12.959 -1.089 6.410 139 3HB ALA 21 HB3 ALA 21 -14.244 -0.695 5.267 140 H LYS 22 HN LYS 22 -13.402 -2.494 3.242 141 HA LYS 22 HA LYS 22 -12.720 -5.164 2.583 142 1HB LYS 22 HB1 LYS 22 -11.861 -2.727 1.067 143 2HB LYS 22 HB2 LYS 22 -12.146 -4.345 0.444 144 1HG LYS 22 HG2 LYS 22 -14.579 -3.694 1.519 145 2HG LYS 22 HG1 LYS 22 -14.009 -2.150 0.880 146 1HD LYS 22 HD2 LYS 22 -13.810 -3.008 -1.305 147 2HD LYS 22 HD1 LYS 22 -13.935 -4.677 -0.745 148 1HE LYS 22 HE1 LYS 22 -16.095 -4.540 -1.294 149 2HE LYS 22 HE2 LYS 22 -16.274 -3.551 0.155 150 1HZ LYS 22 HZ1 LYS 22 -16.814 -2.790 -2.423 151 2HZ LYS 22 HZ2 LYS 22 -15.361 -2.006 -2.054 152 3HZ LYS 22 HZ3 LYS 22 -16.719 -1.774 -1.073 153 H TYR 23 HN TYR 23 -10.428 -3.033 1.482 154 HA TYR 23 HA TYR 23 -8.320 -4.436 2.919 155 1HB TYR 23 HB2 TYR 23 -7.970 -2.379 0.736 156 2HB TYR 23 HB1 TYR 23 -6.805 -3.583 1.277 157 HD1 TYR 23 HD1 TYR 23 -7.671 -6.093 1.052 158 HD2 TYR 23 HD2 TYR 23 -9.125 -2.799 -1.212 159 HE1 TYR 23 HE1 TYR 23 -8.463 -7.644 -0.683 160 HE2 TYR 23 HE2 TYR 23 -9.921 -4.341 -2.955 161 HH TYR 23 HH TYR 23 -10.446 -7.437 -2.572 162 H GLN 24 HN GLN 24 -7.697 -3.625 4.805 163 HA GLN 24 HA GLN 24 -7.775 -0.715 5.198 164 1HB GLN 24 HB2 GLN 24 -8.817 -2.637 6.781 165 2HB GLN 24 HB1 GLN 24 -7.216 -2.501 7.494 166 1HG GLN 24 HG2 GLN 24 -7.602 -0.431 8.318 167 2HG GLN 24 HG1 GLN 24 -8.660 0.024 6.983 168 1HE2 GLN 24 HE2 GLN 24 -9.902 0.925 8.814 169 2HE2 GLN 24 HE2 GLN 24 -11.041 -0.106 9.605 170 H VAL 25 HN VAL 25 -5.953 0.411 5.279 171 HA VAL 25 HA VAL 25 -3.439 -0.727 4.772 172 HB VAL 25 HB VAL 25 -4.058 1.997 5.920 173 1HG1 VAL 25 HG2 VAL 25 -1.585 1.086 4.457 174 2HG1 VAL 25 HG2 VAL 25 -1.702 1.239 6.210 175 3HG1 VAL 25 HG2 VAL 25 -1.875 2.665 5.188 176 1HG2 VAL 25 HG1 VAL 25 -3.528 1.242 3.053 177 2HG2 VAL 25 HG1 VAL 25 -4.037 2.811 3.677 178 3HG2 VAL 25 HG1 VAL 25 -5.143 1.438 3.733 179 H THR 26 HN THR 26 -1.784 -1.357 6.043 180 HA THR 26 HA THR 26 -2.291 -1.486 8.925 181 HB THR 26 HB THR 26 -0.091 -2.923 7.450 182 HG1 THR 26 HG1 THR 26 -2.516 -3.239 6.808 183 1HG2 THR 26 HG2 THR 26 0.368 -3.704 9.462 184 2HG2 THR 26 HG2 THR 26 -1.183 -4.545 9.418 185 3HG2 THR 26 HG2 THR 26 -1.068 -2.945 10.152 186 H LYS 27 HN LYS 27 0.655 -1.174 6.913 187 HA LYS 27 HA LYS 27 1.590 0.864 8.829 188 1HB LYS 27 HB1 LYS 27 2.806 -1.490 8.439 189 2HB LYS 27 HB2 LYS 27 3.559 -0.581 7.136 190 1HG LYS 27 HG1 LYS 27 5.005 0.217 8.602 191 2HG LYS 27 HG2 LYS 27 3.678 1.083 9.381 192 1HD LYS 27 HD1 LYS 27 4.450 -0.127 11.160 193 2HD LYS 27 HD2 LYS 27 3.270 -1.267 10.511 194 1HE LYS 27 HE2 LYS 27 5.190 -2.554 10.893 195 2HE LYS 27 HE1 LYS 27 5.199 -2.237 9.158 196 1HZ LYS 27 HZ1 LYS 27 7.386 -1.919 10.133 197 2HZ LYS 27 HZ2 LYS 27 6.773 -0.748 11.189 198 3HZ LYS 27 HZ3 LYS 27 6.789 -0.459 9.523 199 H THR 28 HN THR 28 3.024 2.521 7.935 200 HA THR 28 HA THR 28 2.631 3.012 5.070 201 HB THR 28 HB THR 28 2.145 5.045 7.258 202 HG1 THR 28 HG1 THR 28 0.121 4.556 5.519 203 1HG2 THR 28 HG2 THR 28 1.205 6.392 5.338 204 2HG2 THR 28 HG2 THR 28 2.095 5.302 4.275 205 3HG2 THR 28 HG2 THR 28 2.962 6.286 5.454 206 H LEU 29 HN LEU 29 4.482 3.500 4.087 207 HA LEU 29 HA LEU 29 6.741 4.400 5.734 208 1HB LEU 29 HB1 LEU 29 6.900 2.261 4.375 209 2HB LEU 29 HB2 LEU 29 6.864 3.271 2.942 210 HG LEU 29 HG LEU 29 8.902 3.951 4.980 211 1HD1 LEU 29 HD1 LEU 29 8.619 1.278 4.155 212 2HD1 LEU 29 HD1 LEU 29 9.973 2.009 5.016 213 3HD1 LEU 29 HD1 LEU 29 9.981 1.941 3.253 214 1HD2 LEU 29 HD2 LEU 29 10.252 4.203 2.876 215 2HD2 LEU 29 HD2 LEU 29 8.845 5.258 3.006 216 3HD2 LEU 29 HD2 LEU 29 8.782 3.826 1.978 217 H ASP 30 HN ASP 30 7.061 6.521 5.674 218 HA ASP 30 HA ASP 30 6.789 7.902 3.093 219 1HB ASP 30 HB2 ASP 30 6.057 9.924 4.530 220 2HB ASP 30 HB1 ASP 30 4.874 8.661 4.212 221 H VAL 31 HN VAL 31 8.738 8.543 2.507 222 HA VAL 31 HA VAL 31 10.421 9.903 4.492 223 HB VAL 31 HB VAL 31 12.360 8.791 2.992 224 1HG1 VAL 31 HG2 VAL 31 11.214 8.361 5.609 225 2HG1 VAL 31 HG2 VAL 31 12.905 8.381 5.109 226 3HG1 VAL 31 HG2 VAL 31 11.966 6.894 4.983 227 1HG2 VAL 31 HG1 VAL 31 9.999 7.119 2.609 228 2HG2 VAL 31 HG1 VAL 31 11.397 6.236 3.222 229 3HG2 VAL 31 HG1 VAL 31 11.523 7.153 1.720 230 H ARG 32 HN ARG 32 9.332 11.691 3.329 231 HA ARG 32 HA ARG 32 9.623 12.319 0.664 232 1HB ARG 32 HB2 ARG 32 8.347 13.533 2.564 233 2HB ARG 32 HB1 ARG 32 9.841 14.433 2.781 234 1HG ARG 32 HG2 ARG 32 9.685 14.992 0.308 235 2HG ARG 32 HG1 ARG 32 8.033 14.372 0.387 236 1HD ARG 32 HD2 ARG 32 9.221 16.751 1.773 237 2HD ARG 32 HD1 ARG 32 7.801 16.672 0.730 238 HE ARG 32 HE ARG 32 7.861 15.479 3.425 239 1HH1 ARG 32 HH2 ARG 32 6.309 17.378 0.949 240 2HH1 ARG 32 HH2 ARG 32 4.858 17.619 1.864 241 1HH2 ARG 32 HH1 ARG 32 5.954 15.792 4.635 242 2HH2 ARG 32 HH1 ARG 32 4.657 16.718 3.959 243 H GLY 33 HN GLY 33 11.415 14.404 2.821 244 1HA GLY 33 HA1 GLY 33 13.562 14.611 0.937 245 2HA GLY 33 HA2 GLY 33 13.465 15.408 2.499 246 H GLU 34 HN GLU 34 15.756 14.888 2.622 247 HA GLU 34 HA GLU 34 16.562 12.177 2.820 248 1HB GLU 34 HB2 GLU 34 17.840 14.829 3.012 249 2HB GLU 34 HB1 GLU 34 18.634 13.529 3.899 250 1HG GLU 34 HG2 GLU 34 19.549 12.847 2.014 251 2HG GLU 34 HG1 GLU 34 17.927 12.475 1.423 252 H VAL 35 HN VAL 35 16.873 10.916 4.473 253 HA VAL 35 HA VAL 35 16.612 11.979 7.193 254 HB VAL 35 HB VAL 35 15.390 9.414 7.119 255 1HG1 VAL 35 HG2 VAL 35 15.238 11.371 8.777 256 2HG1 VAL 35 HG2 VAL 35 13.781 10.430 8.457 257 3HG1 VAL 35 HG2 VAL 35 14.002 12.002 7.689 258 1HG2 VAL 35 HG1 VAL 35 14.498 9.573 5.026 259 2HG2 VAL 35 HG1 VAL 35 14.516 11.336 5.039 260 3HG2 VAL 35 HG1 VAL 35 13.268 10.461 5.927 261 H CYS 36 HN CYS 36 16.907 9.887 8.738 262 HA CYS 36 HA CYS 36 19.614 9.102 8.399 263 1HB CYS 36 HB2 CYS 36 18.869 7.458 10.337 264 2HB CYS 36 HB1 CYS 36 19.049 9.183 10.634 265 HG CYS 36 HG CYS 36 16.202 8.610 9.921 266 HA PRO 37 HA PRO 37 19.241 5.335 6.130 267 1HB PRO 37 HB2 PRO 37 21.066 3.892 7.895 268 2HB PRO 37 HB1 PRO 37 21.325 4.455 6.243 269 1HG PRO 37 HG2 PRO 37 22.588 5.550 8.369 270 2HG PRO 37 HG1 PRO 37 22.159 6.484 6.925 271 1HD PRO 37 HD1 PRO 37 20.774 6.356 9.579 272 2HD PRO 37 HD2 PRO 37 21.097 7.763 8.545 273 H VAL 38 HN VAL 38 17.812 5.592 9.003 274 HA VAL 38 HA VAL 38 17.480 2.949 9.905 275 HB VAL 38 HB VAL 38 15.522 5.221 10.238 276 1HG1 VAL 38 HG2 VAL 38 15.759 3.370 12.438 277 2HG1 VAL 38 HG2 VAL 38 15.313 2.535 10.950 278 3HG1 VAL 38 HG2 VAL 38 14.327 3.872 11.541 279 1HG2 VAL 38 HG1 VAL 38 17.331 4.588 12.448 280 2HG2 VAL 38 HG1 VAL 38 16.839 6.151 11.795 281 3HG2 VAL 38 HG1 VAL 38 18.137 5.241 11.022 282 HA PRO 39 HA PRO 39 13.297 2.895 7.382 283 1HB PRO 39 HB1 PRO 39 13.245 4.592 5.226 284 2HB PRO 39 HB2 PRO 39 12.514 4.958 6.792 285 1HG PRO 39 HG2 PRO 39 15.165 5.808 5.691 286 2HG PRO 39 HG1 PRO 39 13.972 6.759 6.596 287 1HD PRO 39 HD1 PRO 39 16.164 5.776 7.784 288 2HD PRO 39 HD2 PRO 39 14.607 5.848 8.634 289 H ASP 40 HN ASP 40 16.456 3.435 6.055 290 HA ASP 40 HA ASP 40 16.135 2.159 3.562 291 1HB ASP 40 HB2 ASP 40 18.422 2.939 5.288 292 2HB ASP 40 HB1 ASP 40 18.735 1.687 4.090 293 H VAL 41 HN VAL 41 17.712 0.888 6.502 294 HA VAL 41 HA VAL 41 17.639 -1.808 5.571 295 HB VAL 41 HB VAL 41 17.973 -1.009 8.451 296 1HG1 VAL 41 HG2 VAL 41 19.780 -2.970 7.888 297 2HG1 VAL 41 HG2 VAL 41 18.437 -3.403 6.830 298 3HG1 VAL 41 HG2 VAL 41 18.175 -3.240 8.566 299 1HG2 VAL 41 HG1 VAL 41 19.746 0.224 7.933 300 2HG2 VAL 41 HG1 VAL 41 19.586 -0.178 6.223 301 3HG2 VAL 41 HG1 VAL 41 20.514 -1.230 7.294 302 H GLU 42 HN GLU 42 15.385 0.233 7.123 303 HA GLU 42 HA GLU 42 13.882 -1.683 8.557 304 1HB GLU 42 HB1 GLU 42 13.727 0.777 8.892 305 2HB GLU 42 HB2 GLU 42 12.916 0.908 7.337 306 1HG GLU 42 HG2 GLU 42 11.090 -0.478 8.167 307 2HG GLU 42 HG1 GLU 42 11.905 -0.621 9.724 308 H THR 43 HN THR 43 13.223 -0.143 5.403 309 HA THR 43 HA THR 43 11.026 -1.759 4.744 310 HB THR 43 HB THR 43 11.623 0.384 3.618 311 HG1 THR 43 HG1 THR 43 10.975 -1.958 2.276 312 1HG2 THR 43 HG2 THR 43 13.537 0.720 2.585 313 2HG2 THR 43 HG2 THR 43 13.237 -0.657 1.526 314 3HG2 THR 43 HG2 THR 43 14.066 -0.892 3.066 315 H LYS 44 HN LYS 44 14.478 -2.208 4.301 316 HA LYS 44 HA LYS 44 14.400 -4.391 2.534 317 1HB LYS 44 HB2 LYS 44 16.463 -3.180 2.978 318 2HB LYS 44 HB1 LYS 44 16.425 -3.671 4.665 319 1HG LYS 44 HG2 LYS 44 17.857 -5.247 3.964 320 2HG LYS 44 HG1 LYS 44 16.382 -6.083 3.471 321 1HD LYS 44 HD1 LYS 44 16.772 -4.598 1.285 322 2HD LYS 44 HD2 LYS 44 18.445 -4.734 1.828 323 1HE LYS 44 HE1 LYS 44 16.936 -7.247 1.892 324 2HE LYS 44 HE2 LYS 44 17.151 -6.564 0.280 325 1HZ LYS 44 HZ1 LYS 44 19.078 -7.797 2.016 326 2HZ LYS 44 HZ2 LYS 44 19.609 -6.319 1.390 327 3HZ LYS 44 HZ3 LYS 44 19.130 -7.558 0.343 328 H ARG 45 HN ARG 45 14.229 -4.185 6.052 329 HA ARG 45 HA ARG 45 14.295 -6.980 6.528 330 1HB ARG 45 HB1 ARG 45 14.774 -5.148 8.195 331 2HB ARG 45 HB2 ARG 45 13.039 -4.896 8.301 332 1HG ARG 45 HG2 ARG 45 13.854 -7.678 8.664 333 2HG ARG 45 HG1 ARG 45 14.492 -6.572 9.884 334 1HD ARG 45 HD1 ARG 45 11.894 -5.757 9.675 335 2HD ARG 45 HD2 ARG 45 11.753 -7.497 9.428 336 HE ARG 45 HE ARG 45 12.382 -6.149 11.872 337 1HH1 ARG 45 HH1 ARG 45 12.821 -9.105 10.079 338 2HH1 ARG 45 HH1 ARG 45 13.083 -10.073 11.491 339 1HH2 ARG 45 HH2 ARG 45 12.726 -7.418 13.736 340 2HH2 ARG 45 HH2 ARG 45 13.029 -9.116 13.569 341 H ALA 46 HN ALA 46 11.754 -4.682 5.817 342 HA ALA 46 HA ALA 46 9.529 -6.213 6.574 343 1HB ALA 46 HB1 ALA 46 9.066 -3.981 6.132 344 2HB ALA 46 HB2 ALA 46 8.370 -4.815 4.742 345 3HB ALA 46 HB3 ALA 46 9.929 -4.004 4.594 346 H LEU 47 HN LEU 47 11.185 -5.944 3.441 347 HA LEU 47 HA LEU 47 9.562 -7.761 2.041 348 1HB LEU 47 HB2 LEU 47 12.466 -7.515 1.409 349 2HB LEU 47 HB1 LEU 47 11.100 -7.606 0.318 350 HG LEU 47 HG LEU 47 11.935 -5.223 1.958 351 1HD1 LEU 47 HD1 LEU 47 11.871 -4.584 -0.746 352 2HD1 LEU 47 HD1 LEU 47 12.643 -6.167 -0.669 353 3HD1 LEU 47 HD1 LEU 47 13.302 -4.819 0.259 354 1HD2 LEU 47 HD2 LEU 47 9.946 -4.294 1.605 355 2HD2 LEU 47 HD2 LEU 47 9.378 -5.865 1.041 356 3HD2 LEU 47 HD2 LEU 47 10.007 -4.690 -0.112 357 H GLN 48 HN GLN 48 12.254 -8.210 4.209 358 HA GLN 48 HA GLN 48 12.691 -10.962 3.508 359 1HB GLN 48 HB1 GLN 48 14.035 -8.983 5.032 360 2HB GLN 48 HB2 GLN 48 13.716 -10.339 6.107 361 1HG GLN 48 HG1 GLN 48 14.632 -11.493 3.747 362 2HG GLN 48 HG2 GLN 48 15.658 -10.081 3.999 363 1HE2 GLN 48 HE2 GLN 48 17.499 -10.875 4.758 364 2HE2 GLN 48 HE2 GLN 48 17.653 -11.921 6.124 365 H ASN 49 HN ASN 49 10.657 -9.238 5.721 366 HA ASN 49 HA ASN 49 9.637 -11.808 6.712 367 1HB ASN 49 HB2 ASN 49 10.801 -9.629 8.259 368 2HB ASN 49 HB1 ASN 49 9.172 -10.030 8.793 369 1HD2 ASN 49 HD2 ASN 49 8.733 -12.204 9.430 370 2HD2 ASN 49 HD2 ASN 49 10.004 -13.202 10.042 371 H MET 50 HN MET 50 8.184 -11.246 4.829 372 HA MET 50 HA MET 50 6.251 -9.144 5.309 373 1HB MET 50 HB2 MET 50 5.914 -11.245 3.202 374 2HB MET 50 HB1 MET 50 5.457 -9.550 3.161 375 1HG MET 50 HG2 MET 50 7.364 -8.984 2.197 376 2HG MET 50 HG1 MET 50 8.306 -9.827 3.426 377 1HE MET 50 HE1 MET 50 9.049 -13.237 1.997 378 2HE MET 50 HE2 MET 50 7.727 -12.930 3.123 379 3HE MET 50 HE3 MET 50 9.250 -12.059 3.293 380 H LYS 51 HN LYS 51 4.051 -9.444 5.722 381 HA LYS 51 HA LYS 51 3.412 -12.018 6.980 382 1HB LYS 51 HB1 LYS 51 1.760 -9.535 7.306 383 2HB LYS 51 HB2 LYS 51 1.925 -10.903 8.398 384 1HG LYS 51 HG2 LYS 51 4.471 -9.952 8.343 385 2HG LYS 51 HG1 LYS 51 3.532 -8.467 8.163 386 1HD LYS 51 HD2 LYS 51 2.269 -10.009 10.164 387 2HD LYS 51 HD1 LYS 51 3.998 -10.025 10.512 388 1HE LYS 51 HE1 LYS 51 3.825 -7.464 10.046 389 2HE LYS 51 HE2 LYS 51 2.111 -7.715 10.380 390 1HZ LYS 51 HZ1 LYS 51 2.668 -7.479 12.505 391 2HZ LYS 51 HZ2 LYS 51 4.324 -7.631 12.193 392 3HZ LYS 51 HZ3 LYS 51 3.374 -9.015 12.412 393 HA PRO 52 HA PRO 52 0.369 -13.457 4.186 394 1HB PRO 52 HB2 PRO 52 -1.687 -12.922 6.296 395 2HB PRO 52 HB1 PRO 52 -1.451 -14.362 5.299 396 1HG PRO 52 HG1 PRO 52 -0.614 -14.324 7.818 397 2HG PRO 52 HG2 PRO 52 0.367 -15.088 6.554 398 1HD PRO 52 HD1 PRO 52 0.776 -12.502 7.964 399 2HD PRO 52 HD2 PRO 52 1.974 -13.628 7.297 400 H GLY 53 HN GLY 53 -1.666 -11.174 6.011 401 1HA GLY 53 HA1 GLY 53 -2.419 -9.965 3.440 402 2HA GLY 53 HA2 GLY 53 -3.419 -9.978 4.881 403 H GLU 54 HN GLU 54 -0.140 -8.878 4.003 404 HA GLU 54 HA GLU 54 -0.469 -6.564 5.728 405 1HB GLU 54 HB2 GLU 54 1.804 -7.802 4.262 406 2HB GLU 54 HB1 GLU 54 1.894 -6.075 4.601 407 1HG GLU 54 HG1 GLU 54 1.389 -8.169 6.697 408 2HG GLU 54 HG2 GLU 54 2.985 -7.535 6.294 409 H ILE 55 HN ILE 55 -0.674 -4.488 5.112 410 HA ILE 55 HA ILE 55 -0.686 -3.831 2.250 411 HB ILE 55 HB ILE 55 -2.815 -2.833 4.144 412 1HG1 ILE 55 HG1 ILE 55 -3.295 -4.817 1.934 413 2HG1 ILE 55 HG1 ILE 55 -2.849 -5.358 3.548 414 1HG2 ILE 55 HG2 ILE 55 -3.815 -2.481 1.684 415 2HG2 ILE 55 HG2 ILE 55 -2.095 -2.333 1.325 416 3HG2 ILE 55 HG2 ILE 55 -2.842 -1.267 2.516 417 1HD1 ILE 55 HD1 ILE 55 -4.824 -4.598 4.486 418 2HD1 ILE 55 HD1 ILE 55 -5.332 -5.246 2.926 419 3HD1 ILE 55 HD1 ILE 55 -5.155 -3.504 3.142 420 H LEU 56 HN LEU 56 0.671 -2.170 1.939 421 HA LEU 56 HA LEU 56 1.020 -0.240 4.133 422 1HB LEU 56 HB2 LEU 56 2.985 -1.891 2.724 423 2HB LEU 56 HB1 LEU 56 3.416 -0.192 2.790 424 HG LEU 56 HG LEU 56 3.061 -0.315 5.291 425 1HD1 LEU 56 HD2 LEU 56 3.567 -3.106 5.542 426 2HD1 LEU 56 HD2 LEU 56 2.091 -2.873 4.603 427 3HD1 LEU 56 HD2 LEU 56 2.240 -2.154 6.207 428 1HD2 LEU 56 HD1 LEU 56 5.282 -0.257 4.411 429 2HD2 LEU 56 HD1 LEU 56 5.213 -1.966 3.984 430 3HD2 LEU 56 HD1 LEU 56 5.229 -1.480 5.679 431 H GLU 57 HN GLU 57 1.410 1.878 3.624 432 HA GLU 57 HA GLU 57 0.943 2.628 0.811 433 1HB GLU 57 HB2 GLU 57 -0.866 3.514 2.017 434 2HB GLU 57 HB1 GLU 57 0.140 3.951 3.390 435 1HG GLU 57 HG2 GLU 57 1.269 5.566 1.677 436 2HG GLU 57 HG1 GLU 57 -0.243 5.359 0.792 437 H VAL 58 HN VAL 58 2.619 3.515 -0.197 438 HA VAL 58 HA VAL 58 4.805 4.608 1.448 439 HB VAL 58 HB VAL 58 5.099 3.564 -1.362 440 1HG1 VAL 58 HG2 VAL 58 6.957 4.865 -0.851 441 2HG1 VAL 58 HG2 VAL 58 7.483 3.234 -0.436 442 3HG1 VAL 58 HG2 VAL 58 6.978 4.349 0.835 443 1HG2 VAL 58 HG1 VAL 58 5.930 1.938 0.989 444 2HG2 VAL 58 HG1 VAL 58 5.487 1.425 -0.638 445 3HG2 VAL 58 HG1 VAL 58 4.235 1.917 0.502 446 H TRP 59 HN TRP 59 5.418 6.646 1.189 447 HA TRP 59 HA TRP 59 4.531 8.101 -1.220 448 1HB TRP 59 HB1 TRP 59 3.340 8.571 1.093 449 2HB TRP 59 HB2 TRP 59 4.787 9.524 1.401 450 HD1 TRP 59 HD1 TRP 59 4.303 9.947 -2.142 451 HE1 TRP 59 HE1 TRP 59 2.971 12.081 -2.683 452 HE3 TRP 59 HE3 TRP 59 2.408 10.924 2.505 453 HZ2 TRP 59 HZ2 TRP 59 1.334 13.933 -1.323 454 HZ3 TRP 59 HZ3 TRP 59 0.966 12.897 2.799 455 HH2 TRP 59 HH2 TRP 59 0.441 14.369 0.923 456 H ILE 60 HN ILE 60 6.315 8.577 -2.359 457 HA ILE 60 HA ILE 60 8.475 10.015 -1.097 458 HB ILE 60 HB ILE 60 10.017 8.181 -2.408 459 1HG1 ILE 60 HG1 ILE 60 7.878 6.640 -0.917 460 2HG1 ILE 60 HG1 ILE 60 8.060 6.677 -2.668 461 1HG2 ILE 60 HG2 ILE 60 9.327 7.915 0.502 462 2HG2 ILE 60 HG2 ILE 60 10.236 9.288 -0.129 463 3HG2 ILE 60 HG2 ILE 60 10.881 7.654 -0.290 464 1HD1 ILE 60 HD1 ILE 60 9.662 5.137 -2.634 465 2HD1 ILE 60 HD1 ILE 60 9.146 4.822 -0.978 466 3HD1 ILE 60 HD1 ILE 60 10.500 5.908 -1.288 467 H ASP 61 HN ASP 61 10.418 9.821 -2.987 468 HA ASP 61 HA ASP 61 9.118 11.028 -5.324 469 1HB ASP 61 HB2 ASP 61 11.197 11.931 -3.737 470 2HB ASP 61 HB1 ASP 61 12.029 11.284 -5.147 471 H TYR 62 HN TYR 62 10.653 8.202 -4.340 472 HA TYR 62 HA TYR 62 11.069 7.417 -7.139 473 1HB TYR 62 HB2 TYR 62 13.031 7.396 -4.929 474 2HB TYR 62 HB1 TYR 62 12.967 5.924 -5.894 475 HD1 TYR 62 HD1 TYR 62 13.490 6.000 -8.306 476 HD2 TYR 62 HD2 TYR 62 13.922 9.432 -5.828 477 HE1 TYR 62 HE1 TYR 62 14.881 7.064 -10.033 478 HE2 TYR 62 HE2 TYR 62 15.314 10.505 -7.548 479 HH TYR 62 HH TYR 62 15.577 9.289 -10.725 480 HA PRO 63 HA PRO 63 8.477 4.019 -5.999 481 1HB PRO 63 HB2 PRO 63 9.724 2.500 -8.182 482 2HB PRO 63 HB1 PRO 63 8.053 3.040 -8.004 483 1HG PRO 63 HG2 PRO 63 9.723 4.140 -9.805 484 2HG PRO 63 HG1 PRO 63 8.469 5.085 -8.981 485 1HD PRO 63 HD1 PRO 63 11.411 4.947 -8.431 486 2HD PRO 63 HD2 PRO 63 10.327 6.354 -8.425 487 H MET 64 HN MET 64 9.243 3.210 -4.074 488 HA MET 64 HA MET 64 11.697 1.800 -3.803 489 1HB MET 64 HB1 MET 64 9.422 2.497 -2.096 490 2HB MET 64 HB2 MET 64 10.128 0.934 -1.708 491 1HG MET 64 HG1 MET 64 12.305 2.626 -2.034 492 2HG MET 64 HG2 MET 64 11.110 3.588 -1.164 493 1HE MET 64 HE1 MET 64 13.216 2.885 1.700 494 2HE MET 64 HE2 MET 64 13.331 3.599 0.092 495 3HE MET 64 HE3 MET 64 14.184 2.099 0.453 496 H SER 65 HN SER 65 8.654 0.955 -5.040 497 HA SER 65 HA SER 65 8.483 -1.770 -4.420 498 1HB SER 65 HB2 SER 65 6.539 -1.213 -5.446 499 2HB SER 65 HB1 SER 65 7.298 0.055 -6.406 500 HG SER 65 HG SER 65 6.644 -2.456 -7.122 501 H LYS 66 HN LYS 66 10.772 -0.106 -6.248 502 HA LYS 66 HA LYS 66 11.427 -1.839 -8.312 503 1HB LYS 66 HB1 LYS 66 13.726 -0.887 -8.120 504 2HB LYS 66 HB2 LYS 66 12.461 0.333 -8.149 505 1HG LYS 66 HG1 LYS 66 12.919 1.047 -6.069 506 2HG LYS 66 HG2 LYS 66 13.255 -0.579 -5.470 507 1HD LYS 66 HD2 LYS 66 15.400 -0.407 -6.908 508 2HD LYS 66 HD1 LYS 66 15.081 1.329 -6.886 509 1HE LYS 66 HE2 LYS 66 15.142 -0.280 -4.357 510 2HE LYS 66 HE1 LYS 66 16.623 0.345 -5.079 511 1HZ LYS 66 HZ1 LYS 66 15.592 2.582 -4.994 512 2HZ LYS 66 HZ2 LYS 66 15.859 1.900 -3.469 513 3HZ LYS 66 HZ3 LYS 66 14.300 1.922 -4.125 514 H GLU 67 HN GLU 67 12.313 -1.959 -4.903 515 HA GLU 67 HA GLU 67 13.865 -4.396 -5.324 516 1HB GLU 67 HB2 GLU 67 13.459 -2.527 -3.013 517 2HB GLU 67 HB1 GLU 67 14.055 -4.157 -2.724 518 1HG GLU 67 HG1 GLU 67 15.694 -3.363 -4.724 519 2HG GLU 67 HG2 GLU 67 15.398 -1.833 -3.901 520 H ARG 68 HN ARG 68 10.801 -3.284 -4.144 521 HA ARG 68 HA ARG 68 10.027 -5.544 -2.667 522 1HB ARG 68 HB1 ARG 68 8.592 -3.301 -4.012 523 2HB ARG 68 HB2 ARG 68 7.652 -4.688 -3.479 524 1HG ARG 68 HG2 ARG 68 7.581 -3.068 -1.750 525 2HG ARG 68 HG1 ARG 68 8.634 -4.373 -1.199 526 1HD ARG 68 HD2 ARG 68 10.271 -2.914 -0.869 527 2HD ARG 68 HD1 ARG 68 10.235 -2.486 -2.580 528 HE ARG 68 HE ARG 68 9.101 -0.564 -2.050 529 1HH1 ARG 68 HH1 ARG 68 9.082 -2.707 0.700 530 2HH1 ARG 68 HH1 ARG 68 8.423 -1.523 1.779 531 1HH2 ARG 68 HH2 ARG 68 8.234 0.999 -0.635 532 2HH2 ARG 68 HH2 ARG 68 7.941 0.582 1.021 533 H ILE 69 HN ILE 69 9.913 -4.863 -6.123 534 HA ILE 69 HA ILE 69 8.190 -6.928 -6.893 535 HB ILE 69 HB ILE 69 10.452 -5.695 -8.460 536 1HG1 ILE 69 HG1 ILE 69 7.556 -5.136 -8.934 537 2HG1 ILE 69 HG1 ILE 69 8.344 -4.363 -7.561 538 1HG2 ILE 69 HG2 ILE 69 8.895 -7.981 -9.056 539 2HG2 ILE 69 HG2 ILE 69 10.059 -7.147 -10.086 540 3HG2 ILE 69 HG2 ILE 69 8.359 -6.676 -10.116 541 1HD1 ILE 69 HD1 ILE 69 9.364 -4.191 -10.383 542 2HD1 ILE 69 HD1 ILE 69 9.904 -3.266 -8.982 543 3HD1 ILE 69 HD1 ILE 69 8.291 -3.002 -9.643 544 HA PRO 70 HA PRO 70 12.259 -9.612 -7.766 545 1HB PRO 70 HB1 PRO 70 13.874 -8.418 -5.558 546 2HB PRO 70 HB2 PRO 70 14.405 -9.086 -7.105 547 1HG PRO 70 HG2 PRO 70 14.306 -6.457 -6.739 548 2HG PRO 70 HG1 PRO 70 13.807 -7.175 -8.283 549 1HD PRO 70 HD2 PRO 70 12.134 -6.069 -6.075 550 2HD PRO 70 HD1 PRO 70 11.866 -6.022 -7.828 551 H GLU 71 HN GLU 71 11.485 -8.429 -4.506 552 HA GLU 71 HA GLU 71 11.944 -10.890 -3.191 553 1HB GLU 71 HB1 GLU 71 10.117 -8.633 -2.350 554 2HB GLU 71 HB2 GLU 71 10.751 -9.898 -1.307 555 1HG GLU 71 HG2 GLU 71 12.523 -7.983 -2.790 556 2HG GLU 71 HG1 GLU 71 11.888 -7.652 -1.178 557 H THR 72 HN THR 72 8.786 -9.315 -3.768 558 HA THR 72 HA THR 72 7.219 -11.500 -3.124 559 HB THR 72 HB THR 72 5.986 -10.027 -5.271 560 HG1 THR 72 HG1 THR 72 6.361 -7.998 -4.686 561 1HG2 THR 72 HG2 THR 72 4.271 -9.830 -3.854 562 2HG2 THR 72 HG2 THR 72 5.299 -9.364 -2.498 563 3HG2 THR 72 HG2 THR 72 5.146 -11.064 -2.946 564 H VAL 73 HN VAL 73 8.482 -10.578 -6.318 565 HA VAL 73 HA VAL 73 7.195 -12.564 -7.784 566 HB VAL 73 HB VAL 73 8.484 -10.595 -8.712 567 1HG1 VAL 73 HG1 VAL 73 10.607 -11.637 -7.383 568 2HG1 VAL 73 HG1 VAL 73 10.730 -10.506 -8.732 569 3HG1 VAL 73 HG1 VAL 73 10.896 -12.240 -9.014 570 1HG2 VAL 73 HG2 VAL 73 8.551 -13.366 -9.806 571 2HG2 VAL 73 HG2 VAL 73 9.366 -12.073 -10.685 572 3HG2 VAL 73 HG2 VAL 73 7.638 -11.960 -10.352 573 H LYS 74 HN LYS 74 10.014 -12.738 -5.748 574 HA LYS 74 HA LYS 74 11.112 -15.162 -6.667 575 1HB LYS 74 HB1 LYS 74 11.588 -13.387 -4.551 576 2HB LYS 74 HB2 LYS 74 11.198 -14.916 -3.777 577 1HG LYS 74 HG1 LYS 74 13.369 -15.369 -4.039 578 2HG LYS 74 HG2 LYS 74 12.938 -15.711 -5.716 579 1HD LYS 74 HD2 LYS 74 13.629 -13.572 -6.436 580 2HD LYS 74 HD1 LYS 74 13.710 -12.959 -4.784 581 1HE LYS 74 HE1 LYS 74 15.710 -13.990 -4.351 582 2HE LYS 74 HE2 LYS 74 15.425 -15.274 -5.525 583 1HZ LYS 74 HZ1 LYS 74 17.174 -13.581 -6.117 584 2HZ LYS 74 HZ2 LYS 74 15.919 -12.468 -6.333 585 3HZ LYS 74 HZ3 LYS 74 15.991 -13.859 -7.294 586 H LYS 75 HN LYS 75 8.607 -14.400 -4.312 587 HA LYS 75 HA LYS 75 7.904 -17.215 -4.010 588 1HB LYS 75 HB2 LYS 75 6.607 -14.769 -2.789 589 2HB LYS 75 HB1 LYS 75 6.307 -16.441 -2.337 590 1HG LYS 75 HG1 LYS 75 8.014 -16.437 -0.926 591 2HG LYS 75 HG2 LYS 75 9.114 -15.837 -2.167 592 1HD LYS 75 HD2 LYS 75 9.061 -14.277 -0.326 593 2HD LYS 75 HD1 LYS 75 8.295 -13.544 -1.737 594 1HE LYS 75 HE2 LYS 75 6.981 -13.057 0.221 595 2HE LYS 75 HE1 LYS 75 6.088 -14.166 -0.818 596 1HZ LYS 75 HZ1 LYS 75 7.367 -14.686 1.778 597 2HZ LYS 75 HZ2 LYS 75 7.163 -15.958 0.682 598 3HZ LYS 75 HZ3 LYS 75 5.817 -15.103 1.245 599 H LEU 76 HN LEU 76 5.785 -14.390 -4.410 600 HA LEU 76 HA LEU 76 4.152 -15.948 -6.284 601 1HB LEU 76 HB1 LEU 76 2.627 -13.803 -5.877 602 2HB LEU 76 HB2 LEU 76 2.602 -15.196 -4.809 603 HG LEU 76 HG LEU 76 4.577 -13.158 -4.060 604 1HD1 LEU 76 HD2 LEU 76 2.275 -12.050 -3.021 605 2HD1 LEU 76 HD2 LEU 76 1.865 -12.366 -4.706 606 3HD1 LEU 76 HD2 LEU 76 3.272 -11.376 -4.312 607 1HD2 LEU 76 HD1 LEU 76 4.286 -14.762 -2.448 608 2HD2 LEU 76 HD1 LEU 76 2.557 -14.917 -2.759 609 3HD2 LEU 76 HD1 LEU 76 3.173 -13.519 -1.879 610 H GLY 77 HN GLY 77 3.955 -12.489 -6.201 611 1HA GLY 77 HA2 GLY 77 5.542 -12.226 -8.646 612 2HA GLY 77 HA1 GLY 77 3.837 -11.805 -8.729 613 H HIS 78 HN HIS 78 3.068 -10.053 -7.364 614 HA HIS 78 HA HIS 78 5.111 -8.316 -6.232 615 1HB HIS 78 HB1 HIS 78 3.593 -6.481 -7.650 616 2HB HIS 78 HB2 HIS 78 5.223 -7.010 -8.057 617 HD2 HIS 78 HD2 HIS 78 5.315 -7.612 -10.649 618 HE1 HIS 78 HE1 HIS 78 1.433 -9.264 -10.993 619 HE2 HIS 78 HE2 HIS 78 3.583 -8.726 -12.227 620 H GLU 79 HN GLU 79 4.114 -6.361 -5.183 621 HA GLU 79 HA GLU 79 1.569 -7.101 -3.944 622 1HB GLU 79 HB1 GLU 79 3.537 -5.079 -2.888 623 2HB GLU 79 HB2 GLU 79 2.291 -5.949 -2.008 624 1HG GLU 79 HG2 GLU 79 3.559 -7.832 -1.796 625 2HG GLU 79 HG1 GLU 79 4.478 -7.512 -3.268 626 H VAL 80 HN VAL 80 1.107 -6.093 -6.312 627 HA VAL 80 HA VAL 80 0.965 -3.187 -6.143 628 HB VAL 80 HB VAL 80 1.794 -3.812 -8.226 629 1HG1 VAL 80 HG2 VAL 80 1.447 -6.159 -8.200 630 2HG1 VAL 80 HG2 VAL 80 0.667 -5.545 -9.659 631 3HG1 VAL 80 HG2 VAL 80 -0.306 -5.966 -8.251 632 1HG2 VAL 80 HG1 VAL 80 0.404 -2.710 -9.616 633 2HG2 VAL 80 HG1 VAL 80 -0.514 -2.424 -8.136 634 3HG2 VAL 80 HG1 VAL 80 -0.977 -3.735 -9.221 635 H LEU 81 HN LEU 81 -0.792 -2.170 -5.514 636 HA LEU 81 HA LEU 81 -3.399 -3.421 -5.960 637 1HB LEU 81 HB2 LEU 81 -4.154 -2.962 -3.772 638 2HB LEU 81 HB1 LEU 81 -2.594 -3.743 -3.601 639 HG LEU 81 HG LEU 81 -2.056 -0.986 -3.655 640 1HD1 LEU 81 HD1 LEU 81 -3.503 0.066 -2.204 641 2HD1 LEU 81 HD1 LEU 81 -4.107 -1.451 -1.537 642 3HD1 LEU 81 HD1 LEU 81 -4.609 -0.934 -3.146 643 1HD2 LEU 81 HD2 LEU 81 -0.881 -1.480 -1.798 644 2HD2 LEU 81 HD2 LEU 81 -1.256 -3.144 -2.249 645 3HD2 LEU 81 HD2 LEU 81 -2.232 -2.319 -1.034 646 H GLU 82 HN GLU 82 -1.584 -0.464 -5.343 647 HA GLU 82 HA GLU 82 -3.458 0.978 -7.026 648 1HB GLU 82 HB2 GLU 82 -3.954 1.004 -4.324 649 2HB GLU 82 HB1 GLU 82 -3.017 2.473 -4.552 650 1HG GLU 82 HG1 GLU 82 -5.512 2.678 -4.702 651 2HG GLU 82 HG2 GLU 82 -4.592 3.362 -6.042 652 H ILE 83 HN ILE 83 -2.386 2.311 -8.300 653 HA ILE 83 HA ILE 83 0.193 3.391 -7.402 654 HB ILE 83 HB ILE 83 0.782 2.030 -9.146 655 1HG1 ILE 83 HG1 ILE 83 1.120 4.608 -9.642 656 2HG1 ILE 83 HG1 ILE 83 1.556 3.396 -10.841 657 1HG2 ILE 83 HG2 ILE 83 -1.953 2.536 -10.175 658 2HG2 ILE 83 HG2 ILE 83 -1.117 1.011 -9.881 659 3HG2 ILE 83 HG2 ILE 83 -0.711 1.981 -11.296 660 1HD1 ILE 83 HD1 ILE 83 -1.211 4.290 -11.036 661 2HD1 ILE 83 HD1 ILE 83 0.022 4.119 -12.289 662 3HD1 ILE 83 HD1 ILE 83 -0.022 5.572 -11.288 663 H GLU 84 HN GLU 84 0.513 5.593 -7.586 664 HA GLU 84 HA GLU 84 -1.223 7.219 -9.206 665 1HB GLU 84 HB2 GLU 84 -1.856 8.632 -7.133 666 2HB GLU 84 HB1 GLU 84 -2.760 7.159 -7.458 667 1HG GLU 84 HG1 GLU 84 -0.404 6.872 -5.713 668 2HG GLU 84 HG2 GLU 84 -1.754 7.797 -5.057 669 H GLU 85 HN GLU 85 -0.755 9.635 -8.725 670 HA GLU 85 HA GLU 85 2.058 10.002 -7.963 671 1HB GLU 85 HB2 GLU 85 1.050 11.620 -10.240 672 2HB GLU 85 HB1 GLU 85 2.668 11.008 -9.926 673 1HG GLU 85 HG2 GLU 85 2.265 9.548 -11.546 674 2HG GLU 85 HG1 GLU 85 1.233 8.716 -10.382 675 H VAL 86 HN VAL 86 2.584 12.392 -7.738 676 HA VAL 86 HA VAL 86 0.249 13.885 -6.743 677 HB VAL 86 HB VAL 86 2.937 13.760 -5.371 678 1HG1 VAL 86 HG1 VAL 86 0.380 15.208 -4.705 679 2HG1 VAL 86 HG1 VAL 86 1.962 15.913 -5.037 680 3HG1 VAL 86 HG1 VAL 86 1.704 14.982 -3.562 681 1HG2 VAL 86 HG2 VAL 86 0.493 12.171 -5.101 682 2HG2 VAL 86 HG2 VAL 86 1.103 12.833 -3.584 683 3HG2 VAL 86 HG2 VAL 86 2.142 11.816 -4.582 684 H GLY 87 HN GLY 87 3.754 14.308 -7.309 685 1HA GLY 87 HA1 GLY 87 3.096 16.803 -8.751 686 2HA GLY 87 HA2 GLY 87 4.464 16.688 -7.654 687 HA PRO 88 HA PRO 88 6.215 16.095 -11.882 688 1HB PRO 88 HB2 PRO 88 8.650 16.837 -10.358 689 2HB PRO 88 HB1 PRO 88 8.047 17.466 -11.893 690 1HG PRO 88 HG2 PRO 88 7.869 18.913 -9.662 691 2HG PRO 88 HG1 PRO 88 6.564 18.925 -10.864 692 1HD PRO 88 HD2 PRO 88 6.717 17.485 -8.243 693 2HD PRO 88 HD1 PRO 88 5.338 18.316 -8.994 694 H SER 89 HN SER 89 8.645 15.483 -9.385 695 HA SER 89 HA SER 89 8.935 12.762 -10.409 696 1HB SER 89 HB2 SER 89 10.784 13.913 -8.365 697 2HB SER 89 HB1 SER 89 11.129 12.808 -9.697 698 HG SER 89 HG SER 89 11.682 15.267 -9.739 699 H GLU 90 HN GLU 90 7.258 14.257 -8.047 700 HA GLU 90 HA GLU 90 7.649 12.198 -6.011 701 1HB GLU 90 HB2 GLU 90 5.620 13.793 -5.076 702 2HB GLU 90 HB1 GLU 90 7.326 14.001 -4.706 703 1HG GLU 90 HG2 GLU 90 6.297 15.272 -7.176 704 2HG GLU 90 HG1 GLU 90 5.814 15.968 -5.631 705 H TRP 91 HN TRP 91 6.216 10.598 -5.597 706 HA TRP 91 HA TRP 91 3.540 10.716 -6.708 707 1HB TRP 91 HB1 TRP 91 4.002 8.299 -7.653 708 2HB TRP 91 HB2 TRP 91 4.375 9.725 -8.615 709 HD1 TRP 91 HD1 TRP 91 6.377 7.654 -5.991 710 HE1 TRP 91 HE1 TRP 91 8.736 7.264 -6.944 711 HE3 TRP 91 HE3 TRP 91 5.868 10.105 -10.450 712 HZ2 TRP 91 HZ2 TRP 91 10.190 7.911 -9.277 713 HZ3 TRP 91 HZ3 TRP 91 7.790 10.172 -11.985 714 HH2 TRP 91 HH2 TRP 91 9.906 9.098 -11.409 715 H LYS 92 HN LYS 92 2.298 8.676 -6.144 716 HA LYS 92 HA LYS 92 3.182 7.672 -3.523 717 1HB LYS 92 HB1 LYS 92 1.029 9.296 -3.924 718 2HB LYS 92 HB2 LYS 92 0.283 7.710 -4.051 719 1HG LYS 92 HG1 LYS 92 1.493 7.189 -1.851 720 2HG LYS 92 HG2 LYS 92 1.706 8.936 -1.724 721 1HD LYS 92 HD1 LYS 92 -0.998 8.437 -2.427 722 2HD LYS 92 HD2 LYS 92 -0.583 7.373 -1.081 723 1HE LYS 92 HE1 LYS 92 0.517 9.607 -0.162 724 2HE LYS 92 HE2 LYS 92 -0.708 10.335 -1.199 725 1HZ LYS 92 HZ1 LYS 92 -2.418 9.396 0.025 726 2HZ LYS 92 HZ2 LYS 92 -1.305 9.833 1.223 727 3HZ LYS 92 HZ3 LYS 92 -1.425 8.221 0.729 728 H ILE 93 HN ILE 93 3.218 5.524 -3.279 729 HA ILE 93 HA ILE 93 1.881 3.884 -5.327 730 HB ILE 93 HB ILE 93 4.540 3.255 -4.046 731 1HG1 ILE 93 HG1 ILE 93 4.612 3.654 -6.906 732 2HG1 ILE 93 HG1 ILE 93 3.973 5.088 -6.108 733 1HG2 ILE 93 HG2 ILE 93 3.109 1.330 -4.747 734 2HG2 ILE 93 HG2 ILE 93 4.666 1.423 -5.571 735 3HG2 ILE 93 HG2 ILE 93 3.198 1.940 -6.399 736 1HD1 ILE 93 HD1 ILE 93 5.994 4.958 -4.586 737 2HD1 ILE 93 HD1 ILE 93 6.280 5.427 -6.261 738 3HD1 ILE 93 HD1 ILE 93 6.643 3.785 -5.732 739 H TYR 94 HN TYR 94 0.954 1.981 -4.664 740 HA TYR 94 HA TYR 94 0.847 1.547 -1.755 741 1HB TYR 94 HB1 TYR 94 -1.291 1.748 -3.765 742 2HB TYR 94 HB2 TYR 94 -1.433 0.367 -2.685 743 HD1 TYR 94 HD1 TYR 94 -1.212 4.058 -2.790 744 HD2 TYR 94 HD2 TYR 94 -2.131 0.631 -0.441 745 HE1 TYR 94 HE1 TYR 94 -2.183 5.511 -1.060 746 HE2 TYR 94 HE2 TYR 94 -3.104 2.076 1.296 747 HH TYR 94 HH TYR 94 -2.747 4.596 2.007 748 H ILE 95 HN ILE 95 1.773 -0.249 -1.157 749 HA ILE 95 HA ILE 95 1.786 -2.555 -2.988 750 HB ILE 95 HB ILE 95 3.983 -1.119 -1.976 751 1HG1 ILE 95 HG1 ILE 95 5.255 -3.108 -3.024 752 2HG1 ILE 95 HG1 ILE 95 3.660 -3.735 -3.421 753 1HG2 ILE 95 HG2 ILE 95 5.232 -2.918 -0.770 754 2HG2 ILE 95 HG2 ILE 95 3.708 -3.790 -0.615 755 3HG2 ILE 95 HG2 ILE 95 3.898 -2.207 0.140 756 1HD1 ILE 95 HD1 ILE 95 4.548 -2.568 -5.309 757 2HD1 ILE 95 HD1 ILE 95 4.847 -1.130 -4.333 758 3HD1 ILE 95 HD1 ILE 95 3.192 -1.650 -4.654 759 H LYS 96 HN LYS 96 1.397 -4.612 -2.088 760 HA LYS 96 HA LYS 96 1.035 -4.785 0.785 761 1HB LYS 96 HB1 LYS 96 -1.220 -4.937 0.936 762 2HB LYS 96 HB2 LYS 96 -1.137 -3.904 -0.472 763 1HG LYS 96 HG1 LYS 96 -1.358 -6.893 -0.661 764 2HG LYS 96 HG2 LYS 96 -2.761 -5.825 -0.581 765 1HD LYS 96 HD1 LYS 96 -1.536 -4.602 -2.556 766 2HD LYS 96 HD2 LYS 96 -0.753 -6.170 -2.756 767 1HE LYS 96 HE1 LYS 96 -2.830 -5.827 -4.127 768 2HE LYS 96 HE2 LYS 96 -2.828 -7.264 -3.106 769 1HZ LYS 96 HZ1 LYS 96 -4.266 -6.234 -1.569 770 2HZ LYS 96 HZ2 LYS 96 -4.928 -5.923 -3.094 771 3HZ LYS 96 HZ3 LYS 96 -4.078 -4.710 -2.277 772 H VAL 97 HN VAL 97 1.534 -6.716 1.540 773 HA VAL 97 HA VAL 97 2.346 -8.799 -0.240 774 HB VAL 97 HB VAL 97 1.971 -9.086 2.736 775 1HG1 VAL 97 HG2 VAL 97 4.237 -10.333 1.336 776 2HG1 VAL 97 HG2 VAL 97 2.644 -10.946 0.891 777 3HG1 VAL 97 HG2 VAL 97 3.165 -10.987 2.575 778 1HG2 VAL 97 HG1 VAL 97 4.652 -8.402 1.776 779 2HG2 VAL 97 HG1 VAL 97 3.779 -7.843 3.202 780 3HG2 VAL 97 HG1 VAL 97 3.473 -7.099 1.633 781 H LYS 98 HN LYS 98 1.009 -10.166 -1.203 782 HA LYS 98 HA LYS 98 -1.654 -10.619 -0.125 783 1HB LYS 98 HB2 LYS 98 -0.633 -10.413 -2.700 784 2HB LYS 98 HB1 LYS 98 -0.958 -12.132 -2.518 785 1HG LYS 98 HG2 LYS 98 -3.263 -11.355 -1.636 786 2HG LYS 98 HG1 LYS 98 -2.860 -9.831 -2.429 787 1HD LYS 98 HD2 LYS 98 -2.945 -10.743 -4.530 788 2HD LYS 98 HD1 LYS 98 -2.527 -12.361 -3.961 789 1HE LYS 98 HE2 LYS 98 -5.055 -11.405 -2.887 790 2HE LYS 98 HE1 LYS 98 -5.048 -11.475 -4.648 791 1HZ LYS 98 HZ1 LYS 98 -5.601 -13.560 -3.091 792 2HZ LYS 98 HZ2 LYS 98 -3.938 -13.789 -3.296 793 3HZ LYS 98 HZ3 LYS 98 -4.952 -13.708 -4.646 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -19.502 -20.345 -5.667 2 2H GLY 1 HT2 GLY 1 -19.477 -18.831 -4.911 3 3H GLY 1 HT3 GLY 1 -20.587 -19.141 -6.148 4 1HA GLY 1 HA1 GLY 1 -21.201 -19.284 -3.568 5 2HA GLY 1 HA2 GLY 1 -22.026 -20.201 -4.819 6 H SER 2 HN SER 2 -22.528 -21.744 -3.147 7 HA SER 2 HA SER 2 -20.250 -23.368 -2.259 8 1HB SER 2 HB2 SER 2 -21.390 -23.086 -0.311 9 2HB SER 2 HB1 SER 2 -22.912 -22.747 -1.133 10 HG SER 2 HG SER 2 -22.949 -24.737 0.013 11 H SER 3 HN SER 3 -22.887 -23.333 -4.426 12 HA SER 3 HA SER 3 -22.709 -26.244 -4.817 13 1HB SER 3 HB2 SER 3 -24.810 -25.467 -6.377 14 2HB SER 3 HB1 SER 3 -24.963 -26.009 -4.705 15 HG SER 3 HG SER 3 -24.965 -23.869 -4.042 16 H HIS 4 HN HIS 4 -22.136 -23.160 -6.280 17 HA HIS 4 HA HIS 4 -21.722 -24.319 -8.921 18 1HB HIS 4 HB1 HIS 4 -21.781 -21.519 -7.835 19 2HB HIS 4 HB2 HIS 4 -21.070 -21.845 -9.412 20 HD2 HIS 4 HD2 HIS 4 -23.664 -20.030 -9.454 21 HE1 HIS 4 HE1 HIS 4 -25.726 -23.561 -10.549 22 HE2 HIS 4 HE2 HIS 4 -25.824 -21.027 -10.489 23 H HIS 5 HN HIS 5 -19.860 -25.380 -9.165 24 HA HIS 5 HA HIS 5 -17.421 -24.253 -7.968 25 1HB HIS 5 HB1 HIS 5 -18.389 -26.977 -8.424 26 2HB HIS 5 HB2 HIS 5 -16.737 -26.735 -8.979 27 HD2 HIS 5 HD2 HIS 5 -18.550 -25.646 -5.630 28 HE1 HIS 5 HE1 HIS 5 -14.822 -27.464 -4.783 29 HE2 HIS 5 HE2 HIS 5 -16.874 -26.358 -3.781 30 H HIS 6 HN HIS 6 -15.868 -23.427 -9.223 31 HA HIS 6 HA HIS 6 -16.179 -23.705 -12.134 32 1HB HIS 6 HB1 HIS 6 -15.530 -21.456 -10.384 33 2HB HIS 6 HB2 HIS 6 -14.400 -21.626 -11.724 34 HD2 HIS 6 HD2 HIS 6 -18.057 -20.594 -11.035 35 HE1 HIS 6 HE1 HIS 6 -17.290 -20.179 -15.177 36 HE2 HIS 6 HE2 HIS 6 -18.941 -19.712 -13.310 37 H HIS 7 HN HIS 7 -13.746 -22.904 -13.023 38 HA HIS 7 HA HIS 7 -12.020 -25.107 -12.139 39 1HB HIS 7 HB2 HIS 7 -12.866 -24.598 -14.633 40 2HB HIS 7 HB1 HIS 7 -11.416 -23.598 -14.629 41 HD2 HIS 7 HD2 HIS 7 -12.233 -27.377 -13.790 42 HE1 HIS 7 HE1 HIS 7 -8.407 -27.048 -15.571 43 HE2 HIS 7 HE2 HIS 7 -10.142 -28.652 -14.648 44 H HIS 8 HN HIS 8 -12.380 -21.964 -11.476 45 HA HIS 8 HA HIS 8 -9.515 -21.330 -11.502 46 1HB HIS 8 HB2 HIS 8 -11.975 -19.748 -11.699 47 2HB HIS 8 HB1 HIS 8 -10.807 -19.078 -10.564 48 HD2 HIS 8 HD2 HIS 8 -9.743 -20.764 -13.941 49 HE1 HIS 8 HE1 HIS 8 -8.811 -16.636 -14.043 50 HE2 HIS 8 HE2 HIS 8 -8.597 -18.848 -15.265 51 H HIS 9 HN HIS 9 -8.939 -19.840 -9.514 52 HA HIS 9 HA HIS 9 -9.498 -21.463 -7.155 53 1HB HIS 9 HB2 HIS 9 -7.160 -20.515 -8.063 54 2HB HIS 9 HB1 HIS 9 -7.610 -19.170 -7.022 55 HD2 HIS 9 HD2 HIS 9 -8.179 -20.053 -4.274 56 HE1 HIS 9 HE1 HIS 9 -5.476 -23.284 -4.692 57 HE2 HIS 9 HE2 HIS 9 -6.796 -21.875 -3.047 58 H SER 10 HN SER 10 -11.756 -20.433 -7.337 59 HA SER 10 HA SER 10 -11.942 -17.738 -6.291 60 1HB SER 10 HB2 SER 10 -13.622 -19.400 -7.821 61 2HB SER 10 HB1 SER 10 -14.454 -19.164 -6.283 62 HG SER 10 HG SER 10 -13.344 -16.873 -7.290 63 H SER 11 HN SER 11 -10.584 -18.852 -4.416 64 HA SER 11 HA SER 11 -11.959 -20.368 -2.475 65 1HB SER 11 HB2 SER 11 -10.078 -19.201 -0.971 66 2HB SER 11 HB1 SER 11 -9.697 -20.496 -2.108 67 HG SER 11 HG SER 11 -8.352 -19.062 -2.867 68 H GLY 12 HN GLY 12 -10.771 -17.070 -1.883 69 1HA GLY 12 HA1 GLY 12 -12.756 -16.559 0.084 70 2HA GLY 12 HA2 GLY 12 -11.657 -15.375 -0.607 71 H LEU 13 HN LEU 13 -14.535 -15.194 0.053 72 HA LEU 13 HA LEU 13 -15.795 -14.929 -2.561 73 1HB LEU 13 HB1 LEU 13 -16.699 -15.308 0.149 74 2HB LEU 13 HB2 LEU 13 -17.498 -13.919 -0.560 75 HG LEU 13 HG LEU 13 -18.835 -15.928 -0.865 76 1HD1 LEU 13 HD2 LEU 13 -19.220 -14.428 -2.593 77 2HD1 LEU 13 HD2 LEU 13 -18.848 -15.928 -3.443 78 3HD1 LEU 13 HD2 LEU 13 -17.621 -14.670 -3.293 79 1HD2 LEU 13 HD1 LEU 13 -16.509 -17.023 -2.436 80 2HD2 LEU 13 HD1 LEU 13 -18.070 -17.802 -2.178 81 3HD2 LEU 13 HD1 LEU 13 -16.977 -17.545 -0.818 82 H VAL 14 HN VAL 14 -15.543 -13.121 -3.677 83 HA VAL 14 HA VAL 14 -14.526 -10.721 -2.538 84 HB VAL 14 HB VAL 14 -13.992 -11.213 -4.824 85 1HG1 VAL 14 HG1 VAL 14 -16.957 -11.380 -5.159 86 2HG1 VAL 14 HG1 VAL 14 -15.705 -12.506 -5.684 87 3HG1 VAL 14 HG1 VAL 14 -15.930 -10.978 -6.535 88 1HG2 VAL 14 HG2 VAL 14 -15.646 -8.793 -4.294 89 2HG2 VAL 14 HG2 VAL 14 -15.084 -9.103 -5.937 90 3HG2 VAL 14 HG2 VAL 14 -13.919 -8.931 -4.625 91 HA PRO 15 HA PRO 15 -18.343 -9.063 -0.937 92 1HB PRO 15 HB1 PRO 15 -16.918 -6.477 -1.249 93 2HB PRO 15 HB2 PRO 15 -17.684 -7.176 0.181 94 1HG PRO 15 HG1 PRO 15 -15.029 -7.113 -0.053 95 2HG PRO 15 HG2 PRO 15 -15.850 -8.507 0.675 96 1HD PRO 15 HD1 PRO 15 -14.673 -8.212 -2.060 97 2HD PRO 15 HD2 PRO 15 -14.658 -9.614 -0.971 98 H ARG 16 HN ARG 16 -19.754 -9.343 -2.662 99 HA ARG 16 HA ARG 16 -19.628 -7.572 -4.951 100 1HB ARG 16 HB2 ARG 16 -21.657 -8.820 -5.690 101 2HB ARG 16 HB1 ARG 16 -20.268 -9.849 -5.374 102 1HG ARG 16 HG1 ARG 16 -21.249 -10.874 -3.612 103 2HG ARG 16 HG2 ARG 16 -22.151 -9.434 -3.134 104 1HD ARG 16 HD2 ARG 16 -23.756 -10.986 -3.904 105 2HD ARG 16 HD1 ARG 16 -23.573 -9.792 -5.189 106 HE ARG 16 HE ARG 16 -22.048 -12.285 -5.353 107 1HH1 ARG 16 HH1 ARG 16 -24.622 -10.252 -6.531 108 2HH1 ARG 16 HH1 ARG 16 -24.813 -11.133 -8.010 109 1HH2 ARG 16 HH2 ARG 16 -22.293 -13.450 -7.297 110 2HH2 ARG 16 HH2 ARG 16 -23.489 -12.950 -8.445 111 H GLY 17 HN GLY 17 -20.121 -6.414 -2.277 112 1HA GLY 17 HA2 GLY 17 -22.891 -5.664 -2.175 113 2HA GLY 17 HA1 GLY 17 -21.594 -5.006 -1.189 114 H SER 18 HN SER 18 -21.811 -2.860 -1.391 115 HA SER 18 HA SER 18 -22.538 -1.627 -3.884 116 1HB SER 18 HB2 SER 18 -22.532 -0.876 -1.147 117 2HB SER 18 HB1 SER 18 -21.500 0.274 -1.997 118 HG SER 18 HG SER 18 -24.220 -0.088 -2.131 119 H HIS 19 HN HIS 19 -20.784 0.726 -3.452 120 HA HIS 19 HA HIS 19 -18.545 -0.225 -5.015 121 1HB HIS 19 HB1 HIS 19 -17.960 2.284 -4.976 122 2HB HIS 19 HB2 HIS 19 -19.428 1.798 -5.820 123 HD2 HIS 19 HD2 HIS 19 -21.392 3.508 -5.281 124 HE1 HIS 19 HE1 HIS 19 -20.294 4.404 -1.292 125 HE2 HIS 19 HE2 HIS 19 -21.970 4.857 -3.141 126 H MET 20 HN MET 20 -18.728 -0.979 -2.150 127 HA MET 20 HA MET 20 -16.689 0.518 -0.786 128 1HB MET 20 HB1 MET 20 -18.620 -1.511 -0.120 129 2HB MET 20 HB2 MET 20 -17.035 -1.983 0.477 130 1HG MET 20 HG1 MET 20 -18.280 0.700 1.008 131 2HG MET 20 HG2 MET 20 -18.445 -0.689 2.082 132 1HE MET 20 HE1 MET 20 -17.648 0.502 4.027 133 2HE MET 20 HE2 MET 20 -15.941 0.576 4.462 134 3HE MET 20 HE3 MET 20 -16.702 -0.982 4.141 135 H ALA 21 HN ALA 21 -14.693 0.413 -1.619 136 HA ALA 21 HA ALA 21 -13.656 -2.023 -2.776 137 1HB ALA 21 HB1 ALA 21 -13.004 -0.053 -3.892 138 2HB ALA 21 HB2 ALA 21 -11.566 -0.613 -3.039 139 3HB ALA 21 HB3 ALA 21 -12.509 0.728 -2.390 140 H LYS 22 HN LYS 22 -11.349 -2.660 -2.127 141 HA LYS 22 HA LYS 22 -11.399 -3.284 0.696 142 1HB LYS 22 HB1 LYS 22 -9.187 -4.023 -1.204 143 2HB LYS 22 HB2 LYS 22 -9.715 -4.868 0.245 144 1HG LYS 22 HG2 LYS 22 -11.938 -4.817 -1.454 145 2HG LYS 22 HG1 LYS 22 -10.553 -5.213 -2.475 146 1HD LYS 22 HD1 LYS 22 -11.091 -7.310 -1.759 147 2HD LYS 22 HD2 LYS 22 -10.001 -6.837 -0.454 148 1HE LYS 22 HE2 LYS 22 -12.040 -6.031 0.794 149 2HE LYS 22 HE1 LYS 22 -13.011 -6.821 -0.447 150 1HZ LYS 22 HZ1 LYS 22 -12.103 -7.996 1.813 151 2HZ LYS 22 HZ2 LYS 22 -10.975 -8.517 0.665 152 3HZ LYS 22 HZ3 LYS 22 -12.622 -8.819 0.430 153 H TYR 23 HN TYR 23 -11.157 -0.938 1.228 154 HA TYR 23 HA TYR 23 -8.419 0.057 0.956 155 1HB TYR 23 HB2 TYR 23 -10.950 1.298 0.926 156 2HB TYR 23 HB1 TYR 23 -10.165 1.832 2.408 157 HD1 TYR 23 HD1 TYR 23 -9.306 1.344 -1.201 158 HD2 TYR 23 HD2 TYR 23 -8.897 3.752 2.282 159 HE1 TYR 23 HE1 TYR 23 -7.997 2.977 -2.491 160 HE2 TYR 23 HE2 TYR 23 -7.587 5.392 1.002 161 HH TYR 23 HH TYR 23 -6.099 4.852 -1.699 162 H GLN 24 HN GLN 24 -8.470 -2.094 2.580 163 HA GLN 24 HA GLN 24 -8.507 -1.051 5.323 164 1HB GLN 24 HB2 GLN 24 -9.144 -3.611 4.135 165 2HB GLN 24 HB1 GLN 24 -7.937 -3.795 5.400 166 1HG GLN 24 HG2 GLN 24 -9.391 -3.324 7.035 167 2HG GLN 24 HG1 GLN 24 -10.190 -2.060 6.103 168 1HE2 GLN 24 HE2 GLN 24 -9.778 -5.586 5.986 169 2HE2 GLN 24 HE2 GLN 24 -11.432 -5.936 5.630 170 H VAL 25 HN VAL 25 -6.524 0.150 4.814 171 HA VAL 25 HA VAL 25 -4.100 -1.282 4.296 172 HB VAL 25 HB VAL 25 -4.550 1.550 5.169 173 1HG1 VAL 25 HG2 VAL 25 -2.373 1.273 5.816 174 2HG1 VAL 25 HG2 VAL 25 -2.144 1.714 4.125 175 3HG1 VAL 25 HG2 VAL 25 -2.064 0.022 4.612 176 1HG2 VAL 25 HG1 VAL 25 -4.708 2.144 3.003 177 2HG2 VAL 25 HG1 VAL 25 -5.186 0.460 2.784 178 3HG2 VAL 25 HG1 VAL 25 -3.518 0.950 2.484 179 H THR 26 HN THR 26 -2.486 -1.907 5.717 180 HA THR 26 HA THR 26 -3.269 -1.822 8.543 181 HB THR 26 HB THR 26 -0.941 -3.422 7.576 182 HG1 THR 26 HG1 THR 26 -2.802 -5.074 7.318 183 1HG2 THR 26 HG2 THR 26 -3.046 -3.796 9.675 184 2HG2 THR 26 HG2 THR 26 -1.303 -3.628 9.884 185 3HG2 THR 26 HG2 THR 26 -1.967 -5.091 9.157 186 H LYS 27 HN LYS 27 -0.475 -1.063 6.463 187 HA LYS 27 HA LYS 27 0.534 0.607 8.670 188 1HB LYS 27 HB2 LYS 27 1.774 -1.689 7.509 189 2HB LYS 27 HB1 LYS 27 2.741 -0.274 7.118 190 1HG LYS 27 HG2 LYS 27 1.817 -0.611 9.918 191 2HG LYS 27 HG1 LYS 27 3.107 -1.658 9.325 192 1HD LYS 27 HD2 LYS 27 4.420 0.291 8.688 193 2HD LYS 27 HD1 LYS 27 3.118 1.358 9.218 194 1HE LYS 27 HE2 LYS 27 3.366 0.536 11.503 195 2HE LYS 27 HE1 LYS 27 4.654 -0.548 10.979 196 1HZ LYS 27 HZ1 LYS 27 5.529 1.829 10.090 197 2HZ LYS 27 HZ2 LYS 27 5.978 1.137 11.566 198 3HZ LYS 27 HZ3 LYS 27 4.739 2.287 11.514 199 H THR 28 HN THR 28 1.992 2.324 8.040 200 HA THR 28 HA THR 28 1.756 3.188 5.247 201 HB THR 28 HB THR 28 1.168 4.908 7.665 202 HG1 THR 28 HG1 THR 28 -0.406 3.748 5.653 203 1HG2 THR 28 HG2 THR 28 1.337 5.647 4.761 204 2HG2 THR 28 HG2 THR 28 2.292 6.295 6.094 205 3HG2 THR 28 HG2 THR 28 0.565 6.642 5.997 206 H LEU 29 HN LEU 29 3.680 3.702 4.441 207 HA LEU 29 HA LEU 29 5.884 4.217 6.307 208 1HB LEU 29 HB2 LEU 29 5.760 2.453 4.269 209 2HB LEU 29 HB1 LEU 29 6.428 3.835 3.423 210 HG LEU 29 HG LEU 29 7.784 3.268 5.954 211 1HD1 LEU 29 HD1 LEU 29 8.289 1.291 3.770 212 2HD1 LEU 29 HD1 LEU 29 7.051 0.979 4.987 213 3HD1 LEU 29 HD1 LEU 29 8.728 1.214 5.476 214 1HD2 LEU 29 HD2 LEU 29 8.345 4.240 3.275 215 2HD2 LEU 29 HD2 LEU 29 9.583 3.135 3.871 216 3HD2 LEU 29 HD2 LEU 29 9.168 4.576 4.798 217 H ASP 30 HN ASP 30 6.604 6.213 6.558 218 HA ASP 30 HA ASP 30 6.336 8.111 4.326 219 1HB ASP 30 HB2 ASP 30 6.204 9.713 6.563 220 2HB ASP 30 HB1 ASP 30 4.829 9.217 5.581 221 H VAL 31 HN VAL 31 8.509 7.757 3.775 222 HA VAL 31 HA VAL 31 10.474 8.758 5.731 223 HB VAL 31 HB VAL 31 12.169 7.536 4.289 224 1HG1 VAL 31 HG2 VAL 31 12.019 5.653 5.598 225 2HG1 VAL 31 HG2 VAL 31 10.264 5.559 5.454 226 3HG1 VAL 31 HG2 VAL 31 10.999 6.770 6.505 227 1HG2 VAL 31 HG1 VAL 31 10.739 5.465 3.247 228 2HG2 VAL 31 HG1 VAL 31 11.352 6.835 2.322 229 3HG2 VAL 31 HG1 VAL 31 9.687 6.838 2.900 230 H ARG 32 HN ARG 32 9.009 10.581 4.262 231 HA ARG 32 HA ARG 32 10.303 11.356 1.858 232 1HB ARG 32 HB2 ARG 32 7.928 11.919 2.655 233 2HB ARG 32 HB1 ARG 32 8.688 13.196 3.597 234 1HG ARG 32 HG1 ARG 32 9.721 13.974 1.403 235 2HG ARG 32 HG2 ARG 32 8.566 12.895 0.616 236 1HD ARG 32 HD1 ARG 32 7.412 14.891 0.625 237 2HD ARG 32 HD2 ARG 32 6.817 14.124 2.096 238 HE ARG 32 HE ARG 32 8.168 15.605 3.372 239 1HH1 ARG 32 HH2 ARG 32 8.154 16.289 -0.045 240 2HH1 ARG 32 HH2 ARG 32 8.723 17.913 0.147 241 1HH2 ARG 32 HH1 ARG 32 8.916 17.741 3.634 242 2HH2 ARG 32 HH1 ARG 32 9.157 18.738 2.239 243 H GLY 33 HN GLY 33 10.061 13.318 4.785 244 1HA GLY 33 HA2 GLY 33 12.243 14.959 4.176 245 2HA GLY 33 HA1 GLY 33 11.526 14.784 5.769 246 H GLU 34 HN GLU 34 12.407 11.746 4.984 247 HA GLU 34 HA GLU 34 14.745 11.859 6.658 248 1HB GLU 34 HB2 GLU 34 13.070 9.714 5.442 249 2HB GLU 34 HB1 GLU 34 14.708 9.300 5.926 250 1HG GLU 34 HG1 GLU 34 14.208 9.348 8.103 251 2HG GLU 34 HG2 GLU 34 13.221 10.800 7.940 252 H VAL 35 HN VAL 35 16.436 9.963 5.676 253 HA VAL 35 HA VAL 35 17.519 11.319 3.316 254 HB VAL 35 HB VAL 35 19.306 9.436 4.556 255 1HG1 VAL 35 HG2 VAL 35 19.749 12.375 4.459 256 2HG1 VAL 35 HG2 VAL 35 19.648 11.470 2.949 257 3HG1 VAL 35 HG2 VAL 35 20.875 11.055 4.145 258 1HG2 VAL 35 HG1 VAL 35 17.770 11.190 6.306 259 2HG2 VAL 35 HG1 VAL 35 19.516 11.401 6.455 260 3HG2 VAL 35 HG1 VAL 35 18.796 9.811 6.704 261 H CYS 36 HN CYS 36 19.354 9.359 2.537 262 HA CYS 36 HA CYS 36 17.610 7.694 0.964 263 1HB CYS 36 HB1 CYS 36 20.054 8.876 0.512 264 2HB CYS 36 HB2 CYS 36 20.481 7.180 0.716 265 HG CYS 36 HG CYS 36 19.052 8.378 -1.677 266 HA PRO 37 HA PRO 37 20.025 4.166 3.209 267 1HB PRO 37 HB2 PRO 37 21.190 4.737 5.588 268 2HB PRO 37 HB1 PRO 37 22.035 4.892 4.044 269 1HG PRO 37 HG1 PRO 37 20.716 7.009 5.704 270 2HG PRO 37 HG2 PRO 37 22.284 7.053 4.877 271 1HD PRO 37 HD1 PRO 37 20.066 8.214 3.850 272 2HD PRO 37 HD2 PRO 37 21.330 7.504 2.826 273 H VAL 38 HN VAL 38 18.064 6.519 4.791 274 HA VAL 38 HA VAL 38 17.285 4.986 7.038 275 HB VAL 38 HB VAL 38 15.683 7.165 5.704 276 1HG1 VAL 38 HG2 VAL 38 15.665 6.348 8.598 277 2HG1 VAL 38 HG2 VAL 38 14.560 5.657 7.409 278 3HG1 VAL 38 HG2 VAL 38 14.524 7.388 7.746 279 1HG2 VAL 38 HG1 VAL 38 16.752 8.636 7.412 280 2HG2 VAL 38 HG1 VAL 38 17.861 8.033 6.180 281 3HG2 VAL 38 HG1 VAL 38 17.852 7.310 7.789 282 HA PRO 39 HA PRO 39 13.368 3.720 4.494 283 1HB PRO 39 HB2 PRO 39 14.087 4.238 1.693 284 2HB PRO 39 HB1 PRO 39 12.615 4.664 2.570 285 1HG PRO 39 HG1 PRO 39 14.414 6.520 1.826 286 2HG PRO 39 HG2 PRO 39 13.489 6.657 3.332 287 1HD PRO 39 HD2 PRO 39 16.317 5.759 2.920 288 2HD PRO 39 HD1 PRO 39 15.642 6.810 4.182 289 H ASP 40 HN ASP 40 16.605 3.326 3.295 290 HA ASP 40 HA ASP 40 16.288 0.964 1.812 291 1HB ASP 40 HB2 ASP 40 18.592 2.280 3.203 292 2HB ASP 40 HB1 ASP 40 18.787 0.643 2.580 293 H VAL 41 HN VAL 41 17.397 1.369 5.180 294 HA VAL 41 HA VAL 41 17.333 -1.421 5.744 295 HB VAL 41 HB VAL 41 17.204 0.757 7.816 296 1HG1 VAL 41 HG2 VAL 41 16.997 -1.343 8.831 297 2HG1 VAL 41 HG2 VAL 41 18.706 -0.943 8.998 298 3HG1 VAL 41 HG2 VAL 41 18.184 -2.079 7.754 299 1HG2 VAL 41 HG1 VAL 41 18.998 1.569 6.649 300 2HG2 VAL 41 HG1 VAL 41 19.443 -0.015 6.014 301 3HG2 VAL 41 HG1 VAL 41 19.808 0.399 7.689 302 H GLU 42 HN GLU 42 15.012 1.167 5.970 303 HA GLU 42 HA GLU 42 13.192 -0.027 7.755 304 1HB GLU 42 HB1 GLU 42 13.104 2.349 7.174 305 2HB GLU 42 HB2 GLU 42 12.683 1.943 5.517 306 1HG GLU 42 HG2 GLU 42 10.539 1.911 6.041 307 2HG GLU 42 HG1 GLU 42 10.831 0.666 7.256 308 H THR 43 HN THR 43 12.875 0.274 4.211 309 HA THR 43 HA THR 43 10.740 -1.503 3.953 310 HB THR 43 HB THR 43 11.467 0.092 2.202 311 HG1 THR 43 HG1 THR 43 11.210 -2.640 1.550 312 1HG2 THR 43 HG2 THR 43 13.591 -1.885 1.452 313 2HG2 THR 43 HG2 THR 43 13.923 -0.432 2.394 314 3HG2 THR 43 HG2 THR 43 13.276 -0.294 0.759 315 H LYS 44 HN LYS 44 14.176 -2.077 4.174 316 HA LYS 44 HA LYS 44 14.276 -4.697 3.185 317 1HB LYS 44 HB1 LYS 44 15.996 -2.949 4.780 318 2HB LYS 44 HB2 LYS 44 16.169 -4.648 5.197 319 1HG LYS 44 HG1 LYS 44 16.300 -3.694 2.356 320 2HG LYS 44 HG2 LYS 44 17.716 -3.713 3.410 321 1HD LYS 44 HD2 LYS 44 16.866 -6.202 3.835 322 2HD LYS 44 HD1 LYS 44 16.199 -5.966 2.218 323 1HE LYS 44 HE1 LYS 44 18.932 -5.020 2.423 324 2HE LYS 44 HE2 LYS 44 18.788 -6.726 2.844 325 1HZ LYS 44 HZ1 LYS 44 19.179 -6.201 0.428 326 2HZ LYS 44 HZ2 LYS 44 17.600 -5.598 0.379 327 3HZ LYS 44 HZ3 LYS 44 17.872 -7.224 0.755 328 H ARG 45 HN ARG 45 13.546 -3.438 6.401 329 HA ARG 45 HA ARG 45 13.385 -5.947 7.700 330 1HB ARG 45 HB1 ARG 45 13.625 -3.696 8.801 331 2HB ARG 45 HB2 ARG 45 11.919 -3.430 8.473 332 1HG ARG 45 HG2 ARG 45 12.671 -5.920 9.895 333 2HG ARG 45 HG1 ARG 45 12.788 -4.398 10.780 334 1HD ARG 45 HD2 ARG 45 10.336 -5.409 9.344 335 2HD ARG 45 HD1 ARG 45 10.605 -5.479 11.085 336 HE ARG 45 HE ARG 45 10.890 -2.844 10.485 337 1HH1 ARG 45 HH2 ARG 45 8.399 -5.212 9.912 338 2HH1 ARG 45 HH2 ARG 45 7.110 -4.057 9.954 339 1HH2 ARG 45 HH1 ARG 45 9.198 -1.314 10.540 340 2HH2 ARG 45 HH1 ARG 45 7.564 -1.841 10.310 341 H ALA 46 HN ALA 46 11.114 -4.013 5.870 342 HA ALA 46 HA ALA 46 8.744 -5.343 6.622 343 1HB ALA 46 HB1 ALA 46 7.962 -4.465 4.315 344 2HB ALA 46 HB2 ALA 46 9.527 -3.652 4.284 345 3HB ALA 46 HB3 ALA 46 8.382 -3.309 5.581 346 H LEU 47 HN LEU 47 10.785 -5.734 3.727 347 HA LEU 47 HA LEU 47 9.469 -7.840 2.526 348 1HB LEU 47 HB2 LEU 47 12.462 -7.490 2.632 349 2HB LEU 47 HB1 LEU 47 11.549 -8.330 1.394 350 HG LEU 47 HG LEU 47 11.452 -5.376 1.958 351 1HD1 LEU 47 HD1 LEU 47 12.430 -5.464 -0.482 352 2HD1 LEU 47 HD1 LEU 47 13.007 -7.042 0.054 353 3HD1 LEU 47 HD1 LEU 47 13.478 -5.586 0.932 354 1HD2 LEU 47 HD2 LEU 47 10.319 -6.719 -0.462 355 2HD2 LEU 47 HD2 LEU 47 9.944 -5.135 0.212 356 3HD2 LEU 47 HD2 LEU 47 9.371 -6.594 1.020 357 H GLN 48 HN GLN 48 11.735 -7.900 5.214 358 HA GLN 48 HA GLN 48 11.915 -10.776 5.245 359 1HB GLN 48 HB1 GLN 48 13.268 -8.568 6.505 360 2HB GLN 48 HB2 GLN 48 12.793 -9.749 7.719 361 1HG GLN 48 HG1 GLN 48 13.814 -11.391 5.861 362 2HG GLN 48 HG2 GLN 48 14.777 -9.946 5.553 363 1HE2 GLN 48 HE2 GLN 48 16.423 -11.617 6.264 364 2HE2 GLN 48 HE2 GLN 48 16.806 -11.647 7.948 365 H ASN 49 HN ASN 49 9.856 -8.381 6.617 366 HA ASN 49 HA ASN 49 8.552 -10.470 8.232 367 1HB ASN 49 HB2 ASN 49 9.440 -7.754 8.986 368 2HB ASN 49 HB1 ASN 49 7.822 -8.192 9.526 369 1HD2 ASN 49 HD2 ASN 49 11.126 -9.466 9.415 370 2HD2 ASN 49 HD2 ASN 49 11.061 -10.241 10.959 371 H MET 50 HN MET 50 7.733 -10.187 5.683 372 HA MET 50 HA MET 50 5.551 -8.296 5.510 373 1HB MET 50 HB2 MET 50 6.647 -10.396 3.662 374 2HB MET 50 HB1 MET 50 5.112 -9.605 3.342 375 1HG MET 50 HG2 MET 50 6.200 -7.445 3.331 376 2HG MET 50 HG1 MET 50 7.753 -8.222 3.630 377 1HE MET 50 HE1 MET 50 7.428 -10.872 1.775 378 2HE MET 50 HE2 MET 50 8.893 -9.905 1.946 379 3HE MET 50 HE3 MET 50 8.267 -10.284 0.341 380 H LYS 51 HN LYS 51 3.491 -8.658 6.027 381 HA LYS 51 HA LYS 51 2.744 -11.262 7.067 382 1HB LYS 51 HB1 LYS 51 1.154 -8.693 6.906 383 2HB LYS 51 HB2 LYS 51 0.666 -10.146 7.767 384 1HG LYS 51 HG2 LYS 51 2.275 -9.860 9.419 385 2HG LYS 51 HG1 LYS 51 3.238 -8.766 8.424 386 1HD LYS 51 HD2 LYS 51 2.251 -7.091 9.513 387 2HD LYS 51 HD1 LYS 51 0.781 -7.502 8.626 388 1HE LYS 51 HE1 LYS 51 0.568 -7.340 11.145 389 2HE LYS 51 HE2 LYS 51 -0.047 -8.812 10.398 390 1HZ LYS 51 HZ1 LYS 51 2.725 -8.892 11.256 391 2HZ LYS 51 HZ2 LYS 51 1.518 -10.070 11.380 392 3HZ LYS 51 HZ3 LYS 51 1.580 -8.801 12.497 393 HA PRO 52 HA PRO 52 0.658 -12.860 3.555 394 1HB PRO 52 HB2 PRO 52 -1.706 -13.766 4.662 395 2HB PRO 52 HB1 PRO 52 -0.172 -14.640 4.700 396 1HG PRO 52 HG1 PRO 52 -1.434 -12.930 6.802 397 2HG PRO 52 HG2 PRO 52 -0.562 -14.464 6.979 398 1HD PRO 52 HD1 PRO 52 0.603 -12.122 7.560 399 2HD PRO 52 HD2 PRO 52 1.517 -13.445 6.804 400 H GLY 53 HN GLY 53 -1.469 -10.930 5.662 401 1HA GLY 53 HA1 GLY 53 -2.945 -10.070 3.262 402 2HA GLY 53 HA2 GLY 53 -3.574 -10.020 4.900 403 H GLU 54 HN GLU 54 -0.665 -8.740 3.232 404 HA GLU 54 HA GLU 54 -0.967 -6.283 4.774 405 1HB GLU 54 HB2 GLU 54 1.193 -7.188 2.871 406 2HB GLU 54 HB1 GLU 54 1.180 -5.616 3.669 407 1HG GLU 54 HG1 GLU 54 1.107 -8.213 5.172 408 2HG GLU 54 HG2 GLU 54 2.604 -7.395 4.730 409 H ILE 55 HN ILE 55 -1.789 -4.467 4.053 410 HA ILE 55 HA ILE 55 -2.096 -4.004 1.161 411 HB ILE 55 HB ILE 55 -4.272 -3.311 3.126 412 1HG1 ILE 55 HG1 ILE 55 -4.472 -5.686 1.289 413 2HG1 ILE 55 HG1 ILE 55 -3.717 -5.859 2.871 414 1HG2 ILE 55 HG2 ILE 55 -3.791 -2.813 0.351 415 2HG2 ILE 55 HG2 ILE 55 -5.119 -2.252 1.367 416 3HG2 ILE 55 HG2 ILE 55 -5.247 -3.794 0.520 417 1HD1 ILE 55 HD1 ILE 55 -6.516 -4.877 2.372 418 2HD1 ILE 55 HD1 ILE 55 -5.756 -5.113 3.947 419 3HD1 ILE 55 HD1 ILE 55 -6.067 -6.500 2.901 420 H LEU 56 HN LEU 56 -0.082 -2.742 2.095 421 HA LEU 56 HA LEU 56 -1.006 -0.235 3.299 422 1HB LEU 56 HB1 LEU 56 1.834 -0.823 3.445 423 2HB LEU 56 HB2 LEU 56 0.687 -0.493 4.734 424 HG LEU 56 HG LEU 56 0.749 -3.161 3.359 425 1HD1 LEU 56 HD2 LEU 56 2.026 -3.517 5.750 426 2HD1 LEU 56 HD2 LEU 56 2.759 -2.051 5.097 427 3HD1 LEU 56 HD2 LEU 56 2.757 -3.536 4.144 428 1HD2 LEU 56 HD1 LEU 56 -0.768 -3.767 4.857 429 2HD2 LEU 56 HD1 LEU 56 -0.940 -2.052 5.229 430 3HD2 LEU 56 HD1 LEU 56 0.147 -3.058 6.187 431 H GLU 57 HN GLU 57 1.097 1.391 3.041 432 HA GLU 57 HA GLU 57 1.686 1.598 0.175 433 1HB GLU 57 HB2 GLU 57 0.971 3.925 0.099 434 2HB GLU 57 HB1 GLU 57 -0.371 2.895 0.579 435 1HG GLU 57 HG1 GLU 57 0.577 3.551 2.999 436 2HG GLU 57 HG2 GLU 57 1.054 4.985 2.091 437 H VAL 58 HN VAL 58 3.168 3.534 -0.230 438 HA VAL 58 HA VAL 58 4.990 4.045 2.004 439 HB VAL 58 HB VAL 58 5.975 3.144 -0.706 440 1HG1 VAL 58 HG2 VAL 58 7.664 4.468 0.130 441 2HG1 VAL 58 HG2 VAL 58 8.113 2.887 0.769 442 3HG1 VAL 58 HG2 VAL 58 7.301 4.061 1.806 443 1HG2 VAL 58 HG1 VAL 58 6.048 1.014 -0.024 444 2HG2 VAL 58 HG1 VAL 58 4.872 1.512 1.194 445 3HG2 VAL 58 HG1 VAL 58 6.589 1.456 1.597 446 H TRP 59 HN TRP 59 6.118 5.996 1.853 447 HA TRP 59 HA TRP 59 5.340 7.735 -0.397 448 1HB TRP 59 HB2 TRP 59 4.233 8.194 1.870 449 2HB TRP 59 HB1 TRP 59 5.823 8.721 2.413 450 HD1 TRP 59 HD1 TRP 59 5.056 9.658 -1.146 451 HE1 TRP 59 HE1 TRP 59 4.537 12.175 -1.282 452 HE3 TRP 59 HE3 TRP 59 4.668 10.679 3.849 453 HZ2 TRP 59 HZ2 TRP 59 4.031 14.311 0.493 454 HZ3 TRP 59 HZ3 TRP 59 4.165 12.985 4.546 455 HH2 TRP 59 HH2 TRP 59 3.854 14.762 2.901 456 H ILE 60 HN ILE 60 7.096 8.055 -1.609 457 HA ILE 60 HA ILE 60 9.492 9.124 -0.364 458 HB ILE 60 HB ILE 60 10.508 7.269 -2.230 459 1HG1 ILE 60 HG1 ILE 60 9.838 5.155 -0.880 460 2HG1 ILE 60 HG1 ILE 60 8.444 6.106 -0.377 461 1HG2 ILE 60 HG2 ILE 60 11.075 6.372 0.368 462 2HG2 ILE 60 HG2 ILE 60 10.914 8.126 0.468 463 3HG2 ILE 60 HG2 ILE 60 12.063 7.408 -0.661 464 1HD1 ILE 60 HD1 ILE 60 7.425 5.420 -2.212 465 2HD1 ILE 60 HD1 ILE 60 8.909 4.697 -2.833 466 3HD1 ILE 60 HD1 ILE 60 8.560 6.397 -3.142 467 H ASP 61 HN ASP 61 11.220 9.348 -2.299 468 HA ASP 61 HA ASP 61 9.785 10.799 -4.408 469 1HB ASP 61 HB2 ASP 61 11.928 11.971 -4.785 470 2HB ASP 61 HB1 ASP 61 11.373 12.140 -3.122 471 H TYR 62 HN TYR 62 11.166 7.871 -3.898 472 HA TYR 62 HA TYR 62 11.655 7.492 -6.763 473 1HB TYR 62 HB2 TYR 62 13.668 7.430 -4.735 474 2HB TYR 62 HB1 TYR 62 13.447 5.792 -5.343 475 HD1 TYR 62 HD1 TYR 62 14.231 9.266 -6.358 476 HD2 TYR 62 HD2 TYR 62 14.269 5.157 -7.464 477 HE1 TYR 62 HE1 TYR 62 15.607 9.813 -8.322 478 HE2 TYR 62 HE2 TYR 62 15.644 5.693 -9.431 479 HH TYR 62 HH TYR 62 16.055 8.784 -10.603 480 HA PRO 63 HA PRO 63 8.928 4.052 -6.171 481 1HB PRO 63 HB1 PRO 63 9.791 2.480 -8.253 482 2HB PRO 63 HB2 PRO 63 8.688 3.848 -8.430 483 1HG PRO 63 HG2 PRO 63 11.639 3.716 -8.900 484 2HG PRO 63 HG1 PRO 63 10.388 4.532 -9.856 485 1HD PRO 63 HD2 PRO 63 11.984 5.885 -8.170 486 2HD PRO 63 HD1 PRO 63 10.284 6.337 -8.409 487 H MET 64 HN MET 64 9.843 3.346 -4.177 488 HA MET 64 HA MET 64 12.169 1.771 -3.973 489 1HB MET 64 HB2 MET 64 10.016 2.640 -2.229 490 2HB MET 64 HB1 MET 64 10.502 0.987 -1.877 491 1HG MET 64 HG2 MET 64 11.887 2.186 -0.501 492 2HG MET 64 HG1 MET 64 12.905 1.960 -1.921 493 1HE MET 64 HE1 MET 64 14.592 4.108 -1.698 494 2HE MET 64 HE2 MET 64 13.991 5.321 -2.829 495 3HE MET 64 HE3 MET 64 13.904 3.608 -3.243 496 H SER 65 HN SER 65 8.951 1.031 -4.959 497 HA SER 65 HA SER 65 8.767 -1.675 -4.372 498 1HB SER 65 HB2 SER 65 6.777 -1.008 -5.239 499 2HB SER 65 HB1 SER 65 7.527 0.156 -6.331 500 HG SER 65 HG SER 65 7.722 -1.350 -7.838 501 H LYS 66 HN LYS 66 10.897 -0.090 -6.505 502 HA LYS 66 HA LYS 66 11.319 -1.928 -8.524 503 1HB LYS 66 HB1 LYS 66 13.566 -0.980 -8.727 504 2HB LYS 66 HB2 LYS 66 12.379 0.288 -8.453 505 1HG LYS 66 HG2 LYS 66 13.033 0.085 -5.978 506 2HG LYS 66 HG1 LYS 66 14.446 -0.786 -6.575 507 1HD LYS 66 HD1 LYS 66 15.158 1.096 -7.859 508 2HD LYS 66 HD2 LYS 66 13.647 1.952 -7.543 509 1HE LYS 66 HE2 LYS 66 14.358 1.656 -5.040 510 2HE LYS 66 HE1 LYS 66 15.969 1.463 -5.733 511 1HZ LYS 66 HZ1 LYS 66 14.205 3.780 -6.299 512 2HZ LYS 66 HZ2 LYS 66 15.835 3.607 -6.716 513 3HZ LYS 66 HZ3 LYS 66 15.391 3.776 -5.093 514 H GLU 67 HN GLU 67 12.504 -1.974 -5.210 515 HA GLU 67 HA GLU 67 13.966 -4.458 -5.719 516 1HB GLU 67 HB2 GLU 67 14.107 -2.326 -3.717 517 2HB GLU 67 HB1 GLU 67 14.185 -3.937 -3.016 518 1HG GLU 67 HG2 GLU 67 16.364 -3.828 -3.441 519 2HG GLU 67 HG1 GLU 67 15.918 -4.141 -5.118 520 H ARG 68 HN ARG 68 11.096 -3.205 -4.222 521 HA ARG 68 HA ARG 68 10.435 -5.396 -2.604 522 1HB ARG 68 HB1 ARG 68 8.955 -3.100 -3.811 523 2HB ARG 68 HB2 ARG 68 8.025 -4.416 -3.111 524 1HG ARG 68 HG2 ARG 68 8.736 -2.295 -1.706 525 2HG ARG 68 HG1 ARG 68 8.616 -3.898 -0.994 526 1HD ARG 68 HD2 ARG 68 10.648 -3.282 -0.182 527 2HD ARG 68 HD1 ARG 68 11.152 -4.041 -1.688 528 HE ARG 68 HE ARG 68 10.689 -1.279 -2.081 529 1HH1 ARG 68 HH1 ARG 68 12.951 -3.516 -0.661 530 2HH1 ARG 68 HH1 ARG 68 14.313 -2.461 -0.847 531 1HH2 ARG 68 HH2 ARG 68 12.482 0.119 -2.332 532 2HH2 ARG 68 HH2 ARG 68 14.046 -0.397 -1.796 533 H ILE 69 HN ILE 69 10.167 -4.902 -6.042 534 HA ILE 69 HA ILE 69 8.194 -6.906 -6.494 535 HB ILE 69 HB ILE 69 10.165 -5.688 -8.421 536 1HG1 ILE 69 HG1 ILE 69 7.233 -5.121 -8.425 537 2HG1 ILE 69 HG1 ILE 69 8.225 -4.350 -7.191 538 1HG2 ILE 69 HG2 ILE 69 9.543 -7.679 -9.451 539 2HG2 ILE 69 HG2 ILE 69 8.390 -6.511 -10.098 540 3HG2 ILE 69 HG2 ILE 69 7.903 -7.612 -8.808 541 1HD1 ILE 69 HD1 ILE 69 9.038 -4.192 -10.054 542 2HD1 ILE 69 HD1 ILE 69 9.388 -3.088 -8.723 543 3HD1 ILE 69 HD1 ILE 69 7.771 -3.136 -9.430 544 HA PRO 70 HA PRO 70 12.047 -9.593 -7.970 545 1HB PRO 70 HB2 PRO 70 14.285 -8.990 -6.409 546 2HB PRO 70 HB1 PRO 70 14.064 -8.586 -8.113 547 1HG PRO 70 HG1 PRO 70 13.678 -6.893 -5.696 548 2HG PRO 70 HG2 PRO 70 14.270 -6.443 -7.305 549 1HD PRO 70 HD1 PRO 70 11.784 -5.832 -6.494 550 2HD PRO 70 HD2 PRO 70 12.133 -6.269 -8.180 551 H GLU 71 HN GLU 71 11.734 -8.389 -4.649 552 HA GLU 71 HA GLU 71 12.421 -10.859 -3.411 553 1HB GLU 71 HB1 GLU 71 11.571 -8.227 -2.567 554 2HB GLU 71 HB2 GLU 71 10.717 -9.471 -1.665 555 1HG GLU 71 HG1 GLU 71 12.512 -9.353 -0.329 556 2HG GLU 71 HG2 GLU 71 13.211 -10.444 -1.525 557 H THR 72 HN THR 72 9.313 -9.315 -4.182 558 HA THR 72 HA THR 72 7.671 -11.312 -3.111 559 HB THR 72 HB THR 72 6.218 -10.281 -5.200 560 HG1 THR 72 HG1 THR 72 7.040 -7.918 -4.664 561 1HG2 THR 72 HG2 THR 72 6.058 -10.160 -2.508 562 2HG2 THR 72 HG2 THR 72 4.987 -9.306 -3.619 563 3HG2 THR 72 HG2 THR 72 6.372 -8.472 -2.912 564 H VAL 73 HN VAL 73 8.856 -10.838 -6.440 565 HA VAL 73 HA VAL 73 7.538 -13.012 -7.573 566 HB VAL 73 HB VAL 73 8.728 -11.220 -8.852 567 1HG1 VAL 73 HG1 VAL 73 10.825 -11.122 -7.712 568 2HG1 VAL 73 HG1 VAL 73 11.133 -11.639 -9.370 569 3HG1 VAL 73 HG1 VAL 73 11.154 -12.819 -8.060 570 1HG2 VAL 73 HG2 VAL 73 9.905 -13.414 -10.212 571 2HG2 VAL 73 HG2 VAL 73 8.386 -12.590 -10.559 572 3HG2 VAL 73 HG2 VAL 73 8.409 -13.970 -9.460 573 H LYS 74 HN LYS 74 10.382 -12.895 -5.578 574 HA LYS 74 HA LYS 74 11.472 -15.430 -6.171 575 1HB LYS 74 HB2 LYS 74 11.472 -13.723 -3.688 576 2HB LYS 74 HB1 LYS 74 12.229 -15.308 -3.707 577 1HG LYS 74 HG2 LYS 74 12.946 -13.237 -5.745 578 2HG LYS 74 HG1 LYS 74 13.687 -13.244 -4.143 579 1HD LYS 74 HD2 LYS 74 13.676 -15.875 -5.383 580 2HD LYS 74 HD1 LYS 74 14.545 -14.675 -6.344 581 1HE LYS 74 HE2 LYS 74 16.107 -14.284 -4.689 582 2HE LYS 74 HE1 LYS 74 15.040 -14.852 -3.404 583 1HZ LYS 74 HZ1 LYS 74 15.639 -16.987 -3.725 584 2HZ LYS 74 HZ2 LYS 74 17.045 -16.290 -4.357 585 3HZ LYS 74 HZ3 LYS 74 15.822 -16.821 -5.398 586 H LYS 75 HN LYS 75 8.963 -14.319 -3.963 587 HA LYS 75 HA LYS 75 8.239 -17.062 -3.262 588 1HB LYS 75 HB2 LYS 75 7.179 -14.377 -2.369 589 2HB LYS 75 HB1 LYS 75 6.475 -15.908 -1.865 590 1HG LYS 75 HG1 LYS 75 7.896 -15.905 -0.169 591 2HG LYS 75 HG2 LYS 75 9.193 -16.171 -1.337 592 1HD LYS 75 HD2 LYS 75 9.829 -14.283 -0.062 593 2HD LYS 75 HD1 LYS 75 9.283 -13.663 -1.621 594 1HE LYS 75 HE2 LYS 75 8.110 -12.241 -0.315 595 2HE LYS 75 HE1 LYS 75 6.966 -13.581 -0.281 596 1HZ LYS 75 HZ1 LYS 75 7.160 -13.224 1.929 597 2HZ LYS 75 HZ2 LYS 75 8.724 -12.587 1.822 598 3HZ LYS 75 HZ3 LYS 75 8.486 -14.261 1.757 599 H LEU 76 HN LEU 76 6.081 -14.344 -4.001 600 HA LEU 76 HA LEU 76 4.579 -16.104 -5.805 601 1HB LEU 76 HB1 LEU 76 2.981 -13.941 -5.610 602 2HB LEU 76 HB2 LEU 76 2.870 -15.341 -4.565 603 HG LEU 76 HG LEU 76 2.739 -13.113 -3.421 604 1HD1 LEU 76 HD1 LEU 76 4.303 -15.427 -2.692 605 2HD1 LEU 76 HD1 LEU 76 3.201 -14.453 -1.718 606 3HD1 LEU 76 HD1 LEU 76 4.887 -13.966 -1.894 607 1HD2 LEU 76 HD2 LEU 76 5.381 -12.835 -4.665 608 2HD2 LEU 76 HD2 LEU 76 5.280 -12.343 -2.975 609 3HD2 LEU 76 HD2 LEU 76 4.214 -11.608 -4.173 610 H GLY 77 HN GLY 77 3.983 -12.764 -6.149 611 1HA GLY 77 HA1 GLY 77 5.741 -12.627 -8.513 612 2HA GLY 77 HA2 GLY 77 4.057 -12.131 -8.602 613 H HIS 78 HN HIS 78 3.380 -10.298 -7.305 614 HA HIS 78 HA HIS 78 5.481 -8.625 -6.207 615 1HB HIS 78 HB1 HIS 78 4.180 -6.710 -7.647 616 2HB HIS 78 HB2 HIS 78 5.703 -7.452 -8.125 617 HD2 HIS 78 HD2 HIS 78 5.451 -7.734 -10.782 618 HE1 HIS 78 HE1 HIS 78 1.594 -9.480 -10.771 619 HE2 HIS 78 HE2 HIS 78 3.573 -8.813 -12.212 620 H GLU 79 HN GLU 79 4.599 -6.716 -5.087 621 HA GLU 79 HA GLU 79 1.954 -7.295 -3.984 622 1HB GLU 79 HB1 GLU 79 3.036 -5.433 -2.317 623 2HB GLU 79 HB2 GLU 79 3.171 -7.169 -2.077 624 1HG GLU 79 HG1 GLU 79 5.299 -6.912 -3.574 625 2HG GLU 79 HG2 GLU 79 5.203 -5.227 -3.056 626 H VAL 80 HN VAL 80 1.753 -6.213 -6.366 627 HA VAL 80 HA VAL 80 1.644 -3.303 -6.092 628 HB VAL 80 HB VAL 80 2.727 -3.900 -8.092 629 1HG1 VAL 80 HG2 VAL 80 1.914 -5.525 -9.687 630 2HG1 VAL 80 HG2 VAL 80 0.459 -5.785 -8.724 631 3HG1 VAL 80 HG2 VAL 80 2.034 -6.269 -8.091 632 1HG2 VAL 80 HG1 VAL 80 0.076 -3.568 -9.350 633 2HG2 VAL 80 HG1 VAL 80 1.563 -2.644 -9.568 634 3HG2 VAL 80 HG1 VAL 80 0.538 -2.347 -8.164 635 H LEU 81 HN LEU 81 -0.196 -2.330 -5.614 636 HA LEU 81 HA LEU 81 -2.708 -3.573 -6.452 637 1HB LEU 81 HB1 LEU 81 -3.667 -3.548 -4.386 638 2HB LEU 81 HB2 LEU 81 -2.001 -3.844 -3.933 639 HG LEU 81 HG LEU 81 -2.087 -1.119 -3.864 640 1HD1 LEU 81 HD1 LEU 81 -4.370 -0.790 -4.220 641 2HD1 LEU 81 HD1 LEU 81 -4.198 -0.707 -2.467 642 3HD1 LEU 81 HD1 LEU 81 -4.819 -2.174 -3.224 643 1HD2 LEU 81 HD2 LEU 81 -1.085 -2.336 -2.124 644 2HD2 LEU 81 HD2 LEU 81 -2.583 -3.185 -1.743 645 3HD2 LEU 81 HD2 LEU 81 -2.422 -1.469 -1.367 646 H GLU 82 HN GLU 82 -0.964 -0.662 -5.543 647 HA GLU 82 HA GLU 82 -2.673 0.841 -7.343 648 1HB GLU 82 HB2 GLU 82 -3.498 0.802 -4.766 649 2HB GLU 82 HB1 GLU 82 -2.424 2.195 -4.732 650 1HG GLU 82 HG2 GLU 82 -3.904 2.594 -7.016 651 2HG GLU 82 HG1 GLU 82 -5.067 1.897 -5.890 652 H ILE 83 HN ILE 83 -1.871 2.905 -7.912 653 HA ILE 83 HA ILE 83 0.792 3.643 -6.964 654 HB ILE 83 HB ILE 83 0.210 3.325 -9.911 655 1HG1 ILE 83 HG1 ILE 83 2.286 1.621 -9.330 656 2HG1 ILE 83 HG1 ILE 83 1.255 1.439 -7.913 657 1HG2 ILE 83 HG2 ILE 83 2.113 4.414 -10.313 658 2HG2 ILE 83 HG2 ILE 83 2.984 3.523 -9.065 659 3HG2 ILE 83 HG2 ILE 83 2.036 4.946 -8.634 660 1HD1 ILE 83 HD1 ILE 83 0.684 0.782 -10.763 661 2HD1 ILE 83 HD1 ILE 83 -0.641 1.133 -9.654 662 3HD1 ILE 83 HD1 ILE 83 0.464 -0.200 -9.314 663 H GLU 84 HN GLU 84 1.076 5.832 -6.897 664 HA GLU 84 HA GLU 84 -0.511 7.595 -8.548 665 1HB GLU 84 HB2 GLU 84 -1.414 8.832 -6.544 666 2HB GLU 84 HB1 GLU 84 -2.142 7.261 -6.851 667 1HG GLU 84 HG2 GLU 84 -0.774 6.267 -5.105 668 2HG GLU 84 HG1 GLU 84 -0.002 7.825 -4.812 669 H GLU 85 HN GLU 85 -0.151 9.960 -7.622 670 HA GLU 85 HA GLU 85 2.659 10.236 -6.808 671 1HB GLU 85 HB2 GLU 85 2.627 12.274 -8.446 672 2HB GLU 85 HB1 GLU 85 2.920 10.656 -9.070 673 1HG GLU 85 HG1 GLU 85 0.097 11.371 -9.006 674 2HG GLU 85 HG2 GLU 85 1.070 12.437 -10.019 675 H VAL 86 HN VAL 86 3.189 12.346 -5.923 676 HA VAL 86 HA VAL 86 0.838 13.650 -4.715 677 HB VAL 86 HB VAL 86 3.596 13.367 -3.520 678 1HG1 VAL 86 HG1 VAL 86 2.570 14.299 -1.497 679 2HG1 VAL 86 HG1 VAL 86 1.060 14.535 -2.377 680 3HG1 VAL 86 HG1 VAL 86 2.502 15.435 -2.843 681 1HG2 VAL 86 HG2 VAL 86 2.764 11.263 -3.224 682 2HG2 VAL 86 HG2 VAL 86 1.086 11.803 -3.265 683 3HG2 VAL 86 HG2 VAL 86 2.058 12.052 -1.813 684 H GLY 87 HN GLY 87 4.287 14.318 -5.383 685 1HA GLY 87 HA1 GLY 87 3.460 17.003 -6.298 686 2HA GLY 87 HA2 GLY 87 4.877 16.760 -5.287 687 HA PRO 88 HA PRO 88 6.439 17.105 -9.623 688 1HB PRO 88 HB1 PRO 88 8.895 17.654 -8.039 689 2HB PRO 88 HB2 PRO 88 8.237 18.517 -9.434 690 1HG PRO 88 HG2 PRO 88 8.039 19.544 -6.985 691 2HG PRO 88 HG1 PRO 88 6.707 19.695 -8.146 692 1HD PRO 88 HD1 PRO 88 6.983 17.856 -5.804 693 2HD PRO 88 HD2 PRO 88 5.546 18.707 -6.408 694 H SER 89 HN SER 89 8.962 16.089 -7.343 695 HA SER 89 HA SER 89 9.328 13.670 -8.945 696 1HB SER 89 HB1 SER 89 11.359 13.938 -6.958 697 2HB SER 89 HB2 SER 89 11.514 14.101 -8.707 698 HG SER 89 HG SER 89 12.088 15.983 -7.328 699 H GLU 90 HN GLU 90 7.788 14.580 -6.189 700 HA GLU 90 HA GLU 90 8.328 12.113 -4.719 701 1HB GLU 90 HB2 GLU 90 6.609 13.231 -3.099 702 2HB GLU 90 HB1 GLU 90 8.257 13.836 -3.181 703 1HG GLU 90 HG1 GLU 90 7.372 15.519 -4.879 704 2HG GLU 90 HG2 GLU 90 5.766 15.039 -4.329 705 H TRP 91 HN TRP 91 6.895 10.466 -4.506 706 HA TRP 91 HA TRP 91 4.170 10.795 -5.484 707 1HB TRP 91 HB2 TRP 91 4.700 8.423 -6.662 708 2HB TRP 91 HB1 TRP 91 4.802 9.967 -7.502 709 HD1 TRP 91 HD1 TRP 91 7.221 7.690 -5.476 710 HE1 TRP 91 HE1 TRP 91 9.523 7.776 -6.627 711 HE3 TRP 91 HE3 TRP 91 6.143 11.020 -9.203 712 HZ2 TRP 91 HZ2 TRP 91 10.721 9.082 -8.823 713 HZ3 TRP 91 HZ3 TRP 91 7.922 11.634 -10.787 714 HH2 TRP 91 HH2 TRP 91 10.164 10.685 -10.599 715 H LYS 92 HN LYS 92 2.888 8.730 -5.136 716 HA LYS 92 HA LYS 92 3.837 7.330 -2.726 717 1HB LYS 92 HB2 LYS 92 1.699 9.130 -2.857 718 2HB LYS 92 HB1 LYS 92 0.948 7.539 -2.851 719 1HG LYS 92 HG2 LYS 92 1.971 6.969 -0.787 720 2HG LYS 92 HG1 LYS 92 3.013 8.392 -0.841 721 1HD LYS 92 HD2 LYS 92 0.982 9.816 -0.713 722 2HD LYS 92 HD1 LYS 92 0.015 8.354 -0.512 723 1HE LYS 92 HE1 LYS 92 2.129 9.436 1.338 724 2HE LYS 92 HE2 LYS 92 0.404 9.261 1.657 725 1HZ LYS 92 HZ1 LYS 92 0.659 6.863 1.546 726 2HZ LYS 92 HZ2 LYS 92 1.688 7.513 2.721 727 3HZ LYS 92 HZ3 LYS 92 2.312 7.025 1.226 728 H ILE 93 HN ILE 93 3.539 5.164 -2.680 729 HA ILE 93 HA ILE 93 2.022 3.955 -4.899 730 HB ILE 93 HB ILE 93 4.541 2.778 -3.731 731 1HG1 ILE 93 HG1 ILE 93 5.087 3.580 -6.344 732 2HG1 ILE 93 HG1 ILE 93 4.212 4.942 -5.651 733 1HG2 ILE 93 HG2 ILE 93 4.437 1.187 -5.416 734 2HG2 ILE 93 HG2 ILE 93 3.355 2.164 -6.409 735 3HG2 ILE 93 HG2 ILE 93 2.747 1.379 -4.953 736 1HD1 ILE 93 HD1 ILE 93 6.837 4.700 -5.467 737 2HD1 ILE 93 HD1 ILE 93 6.393 3.768 -4.036 738 3HD1 ILE 93 HD1 ILE 93 5.869 5.444 -4.194 739 H TYR 94 HN TYR 94 1.218 1.794 -4.475 740 HA TYR 94 HA TYR 94 0.804 1.278 -1.606 741 1HB TYR 94 HB1 TYR 94 -1.109 1.193 -3.901 742 2HB TYR 94 HB2 TYR 94 -1.343 0.079 -2.560 743 HD1 TYR 94 HD1 TYR 94 -0.793 3.715 -3.220 744 HD2 TYR 94 HD2 TYR 94 -2.608 0.763 -0.751 745 HE1 TYR 94 HE1 TYR 94 -1.937 5.486 -1.954 746 HE2 TYR 94 HE2 TYR 94 -3.757 2.525 0.522 747 HH TYR 94 HH TYR 94 -4.215 4.705 0.649 748 H ILE 95 HN ILE 95 1.291 -0.677 -0.876 749 HA ILE 95 HA ILE 95 2.089 -2.742 -2.818 750 HB ILE 95 HB ILE 95 3.295 -1.810 -0.228 751 1HG1 ILE 95 HG1 ILE 95 4.058 -0.854 -2.390 752 2HG1 ILE 95 HG1 ILE 95 5.337 -1.692 -1.520 753 1HG2 ILE 95 HG2 ILE 95 2.929 -4.379 -0.339 754 2HG2 ILE 95 HG2 ILE 95 4.493 -3.733 0.160 755 3HG2 ILE 95 HG2 ILE 95 4.270 -4.334 -1.483 756 1HD1 ILE 95 HD1 ILE 95 5.750 -2.621 -3.507 757 2HD1 ILE 95 HD1 ILE 95 4.135 -2.270 -4.123 758 3HD1 ILE 95 HD1 ILE 95 4.402 -3.680 -3.098 759 H LYS 96 HN LYS 96 1.593 -4.920 -2.348 760 HA LYS 96 HA LYS 96 -0.025 -5.407 0.045 761 1HB LYS 96 HB2 LYS 96 -1.773 -4.861 -1.407 762 2HB LYS 96 HB1 LYS 96 -0.997 -5.628 -2.787 763 1HG LYS 96 HG1 LYS 96 -1.471 -7.620 -0.821 764 2HG LYS 96 HG2 LYS 96 -2.954 -6.690 -1.043 765 1HD LYS 96 HD1 LYS 96 -1.738 -7.221 -3.585 766 2HD LYS 96 HD2 LYS 96 -1.942 -8.727 -2.689 767 1HE LYS 96 HE1 LYS 96 -4.082 -8.732 -3.274 768 2HE LYS 96 HE2 LYS 96 -4.310 -7.270 -2.314 769 1HZ LYS 96 HZ1 LYS 96 -4.598 -6.089 -4.150 770 2HZ LYS 96 HZ2 LYS 96 -4.584 -7.525 -5.045 771 3HZ LYS 96 HZ3 LYS 96 -3.152 -6.650 -4.826 772 H VAL 97 HN VAL 97 1.118 -6.960 0.973 773 HA VAL 97 HA VAL 97 2.519 -8.980 -0.509 774 HB VAL 97 HB VAL 97 1.919 -8.962 2.448 775 1HG1 VAL 97 HG2 VAL 97 3.104 -10.835 2.548 776 2HG1 VAL 97 HG2 VAL 97 4.450 -10.073 1.703 777 3HG1 VAL 97 HG2 VAL 97 3.164 -10.854 0.785 778 1HG2 VAL 97 HG1 VAL 97 4.537 -8.033 1.425 779 2HG2 VAL 97 HG1 VAL 97 3.635 -7.536 2.856 780 3HG2 VAL 97 HG1 VAL 97 3.171 -6.930 1.267 781 H LYS 98 HN LYS 98 1.835 -10.951 -1.080 782 HA LYS 98 HA LYS 98 -0.928 -11.646 -0.690 783 1HB LYS 98 HB2 LYS 98 1.355 -12.706 -2.275 784 2HB LYS 98 HB1 LYS 98 0.059 -13.828 -1.887 785 1HG LYS 98 HG2 LYS 98 -0.479 -11.159 -3.145 786 2HG LYS 98 HG1 LYS 98 -0.085 -12.590 -4.101 787 1HD LYS 98 HD2 LYS 98 -2.242 -12.782 -2.055 788 2HD LYS 98 HD1 LYS 98 -2.585 -11.952 -3.575 789 1HE LYS 98 HE2 LYS 98 -3.224 -14.194 -3.914 790 2HE LYS 98 HE1 LYS 98 -1.679 -14.006 -4.744 791 1HZ LYS 98 HZ1 LYS 98 -2.211 -15.993 -3.063 792 2HZ LYS 98 HZ2 LYS 98 -1.531 -14.884 -1.980 793 3HZ LYS 98 HZ3 LYS 98 -0.650 -15.398 -3.330 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -10.343 -45.487 2.052 2 2H GLY 1 HT2 GLY 1 -9.291 -44.177 2.253 3 3H GLY 1 HT3 GLY 1 -10.789 -44.189 3.041 4 1HA GLY 1 HA2 GLY 1 -10.070 -46.180 4.297 5 2HA GLY 1 HA1 GLY 1 -8.481 -45.977 3.573 6 H SER 2 HN SER 2 -9.542 -42.934 3.865 7 HA SER 2 HA SER 2 -8.697 -42.643 6.665 8 1HB SER 2 HB1 SER 2 -7.187 -41.868 4.392 9 2HB SER 2 HB2 SER 2 -7.790 -40.388 5.138 10 HG SER 2 HG SER 2 -7.006 -41.610 7.170 11 H SER 3 HN SER 3 -10.458 -41.888 7.651 12 HA SER 3 HA SER 3 -12.093 -39.862 6.292 13 1HB SER 3 HB1 SER 3 -12.692 -42.094 8.058 14 2HB SER 3 HB2 SER 3 -13.405 -40.592 8.645 15 HG SER 3 HG SER 3 -13.717 -40.890 5.963 16 H HIS 4 HN HIS 4 -12.281 -37.837 7.064 17 HA HIS 4 HA HIS 4 -10.391 -36.827 8.881 18 1HB HIS 4 HB2 HIS 4 -11.845 -34.745 8.806 19 2HB HIS 4 HB1 HIS 4 -11.261 -35.333 7.252 20 HD2 HIS 4 HD2 HIS 4 -13.168 -35.603 5.396 21 HE1 HIS 4 HE1 HIS 4 -16.482 -35.668 8.028 22 HE2 HIS 4 HE2 HIS 4 -15.754 -35.670 5.598 23 H HIS 5 HN HIS 5 -10.619 -35.999 10.980 24 HA HIS 5 HA HIS 5 -12.899 -37.115 12.477 25 1HB HIS 5 HB2 HIS 5 -10.067 -37.388 12.871 26 2HB HIS 5 HB1 HIS 5 -10.769 -36.561 14.258 27 HD2 HIS 5 HD2 HIS 5 -9.863 -39.248 15.272 28 HE1 HIS 5 HE1 HIS 5 -13.632 -40.851 14.202 29 HE2 HIS 5 HE2 HIS 5 -11.527 -41.217 15.570 30 H HIS 6 HN HIS 6 -10.492 -34.486 12.569 31 HA HIS 6 HA HIS 6 -12.556 -32.780 13.800 32 1HB HIS 6 HB2 HIS 6 -10.578 -31.501 14.773 33 2HB HIS 6 HB1 HIS 6 -10.897 -33.087 15.464 34 HD2 HIS 6 HD2 HIS 6 -8.317 -33.613 16.198 35 HE1 HIS 6 HE1 HIS 6 -6.702 -33.396 12.290 36 HE2 HIS 6 HE2 HIS 6 -6.232 -34.013 14.706 37 H HIS 7 HN HIS 7 -11.889 -30.357 13.506 38 HA HIS 7 HA HIS 7 -11.485 -29.980 10.630 39 1HB HIS 7 HB1 HIS 7 -13.210 -28.796 12.566 40 2HB HIS 7 HB2 HIS 7 -12.149 -27.536 11.946 41 HD2 HIS 7 HD2 HIS 7 -15.348 -29.289 11.030 42 HE1 HIS 7 HE1 HIS 7 -13.885 -27.500 7.483 43 HE2 HIS 7 HE2 HIS 7 -15.876 -28.625 8.578 44 H HIS 8 HN HIS 8 -10.476 -27.654 10.200 45 HA HIS 8 HA HIS 8 -8.070 -27.372 11.867 46 1HB HIS 8 HB2 HIS 8 -8.263 -27.707 8.891 47 2HB HIS 8 HB1 HIS 8 -6.934 -26.784 9.585 48 HD2 HIS 8 HD2 HIS 8 -7.482 -30.209 8.438 49 HE1 HIS 8 HE1 HIS 8 -4.865 -30.599 11.742 50 HE2 HIS 8 HE2 HIS 8 -5.849 -31.767 9.716 51 H HIS 9 HN HIS 9 -8.919 -25.691 8.883 52 HA HIS 9 HA HIS 9 -9.437 -23.249 10.435 53 1HB HIS 9 HB1 HIS 9 -8.105 -21.946 8.833 54 2HB HIS 9 HB2 HIS 9 -7.119 -23.164 9.637 55 HD2 HIS 9 HD2 HIS 9 -5.894 -24.966 8.011 56 HE1 HIS 9 HE1 HIS 9 -7.690 -23.636 4.415 57 HE2 HIS 9 HE2 HIS 9 -5.934 -25.164 5.423 58 H SER 10 HN SER 10 -10.570 -21.570 9.203 59 HA SER 10 HA SER 10 -12.758 -22.667 7.748 60 1HB SER 10 HB1 SER 10 -12.102 -19.731 7.829 61 2HB SER 10 HB2 SER 10 -13.684 -20.508 7.795 62 HG SER 10 HG SER 10 -13.566 -20.894 9.900 63 H SER 11 HN SER 11 -12.557 -23.366 5.726 64 HA SER 11 HA SER 11 -10.526 -22.551 3.943 65 1HB SER 11 HB1 SER 11 -13.063 -24.137 3.626 66 2HB SER 11 HB2 SER 11 -12.078 -23.720 2.223 67 HG SER 11 HG SER 11 -10.851 -25.324 2.756 68 H GLY 12 HN GLY 12 -14.014 -22.217 3.314 69 1HA GLY 12 HA1 GLY 12 -13.485 -19.874 1.682 70 2HA GLY 12 HA2 GLY 12 -15.030 -20.692 1.867 71 H LEU 13 HN LEU 13 -13.504 -17.874 2.433 72 HA LEU 13 HA LEU 13 -14.411 -17.253 5.069 73 1HB LEU 13 HB2 LEU 13 -12.832 -16.006 3.032 74 2HB LEU 13 HB1 LEU 13 -14.060 -14.874 3.565 75 HG LEU 13 HG LEU 13 -13.255 -15.472 5.957 76 1HD1 LEU 13 HD2 LEU 13 -10.703 -15.934 5.797 77 2HD1 LEU 13 HD2 LEU 13 -11.113 -16.642 4.235 78 3HD1 LEU 13 HD2 LEU 13 -11.841 -17.279 5.710 79 1HD2 LEU 13 HD1 LEU 13 -11.201 -13.970 4.404 80 2HD2 LEU 13 HD1 LEU 13 -11.941 -13.589 5.958 81 3HD2 LEU 13 HD1 LEU 13 -12.855 -13.362 4.467 82 H VAL 14 HN VAL 14 -15.951 -15.494 5.540 83 HA VAL 14 HA VAL 14 -18.360 -15.853 3.949 84 HB VAL 14 HB VAL 14 -19.348 -15.869 5.927 85 1HG1 VAL 14 HG1 VAL 14 -17.575 -16.520 7.221 86 2HG1 VAL 14 HG1 VAL 14 -18.026 -15.011 8.014 87 3HG1 VAL 14 HG1 VAL 14 -16.658 -15.046 6.902 88 1HG2 VAL 14 HG2 VAL 14 -19.854 -13.524 5.310 89 2HG2 VAL 14 HG2 VAL 14 -18.486 -13.006 6.295 90 3HG2 VAL 14 HG2 VAL 14 -19.862 -13.809 7.051 91 HA PRO 15 HA PRO 15 -17.817 -10.998 3.840 92 1HB PRO 15 HB2 PRO 15 -14.891 -10.729 4.100 93 2HB PRO 15 HB1 PRO 15 -16.178 -9.782 4.851 94 1HG PRO 15 HG2 PRO 15 -14.705 -11.506 6.274 95 2HG PRO 15 HG1 PRO 15 -16.432 -11.269 6.604 96 1HD PRO 15 HD1 PRO 15 -15.071 -13.489 5.122 97 2HD PRO 15 HD2 PRO 15 -16.413 -13.565 6.283 98 H ARG 16 HN ARG 16 -18.317 -11.653 1.698 99 HA ARG 16 HA ARG 16 -16.162 -12.220 -0.148 100 1HB ARG 16 HB1 ARG 16 -19.101 -11.792 -0.724 101 2HB ARG 16 HB2 ARG 16 -17.915 -12.508 -1.807 102 1HG ARG 16 HG1 ARG 16 -17.971 -13.907 0.708 103 2HG ARG 16 HG2 ARG 16 -19.581 -13.828 -0.007 104 1HD ARG 16 HD2 ARG 16 -18.740 -14.764 -2.078 105 2HD ARG 16 HD1 ARG 16 -17.098 -14.768 -1.436 106 HE ARG 16 HE ARG 16 -17.581 -16.702 -0.319 107 1HH1 ARG 16 HH1 ARG 16 -20.567 -15.196 -1.302 108 2HH1 ARG 16 HH1 ARG 16 -21.550 -16.536 -0.818 109 1HH2 ARG 16 HH2 ARG 16 -18.870 -18.469 0.322 110 2HH2 ARG 16 HH2 ARG 16 -20.587 -18.396 0.104 111 H GLY 17 HN GLY 17 -17.504 -10.845 -2.402 112 1HA GLY 17 HA1 GLY 17 -16.045 -8.407 -2.285 113 2HA GLY 17 HA2 GLY 17 -17.151 -8.890 -3.561 114 H SER 18 HN SER 18 -16.625 -6.751 -1.043 115 HA SER 18 HA SER 18 -19.363 -6.244 -0.346 116 1HB SER 18 HB1 SER 18 -17.484 -4.063 0.184 117 2HB SER 18 HB2 SER 18 -18.478 -4.990 1.308 118 HG SER 18 HG SER 18 -16.063 -5.936 0.159 119 H HIS 19 HN HIS 19 -19.034 -3.291 -0.407 120 HA HIS 19 HA HIS 19 -19.963 -2.910 -3.135 121 1HB HIS 19 HB1 HIS 19 -19.855 -0.881 -0.897 122 2HB HIS 19 HB2 HIS 19 -20.784 -0.770 -2.388 123 HD2 HIS 19 HD2 HIS 19 -20.910 -2.562 1.069 124 HE1 HIS 19 HE1 HIS 19 -24.595 -3.128 -0.937 125 HE2 HIS 19 HE2 HIS 19 -23.340 -3.457 1.242 126 H MET 20 HN MET 20 -18.201 -0.525 -1.223 127 HA MET 20 HA MET 20 -16.586 0.154 -3.516 128 1HB MET 20 HB2 MET 20 -17.078 1.310 -0.820 129 2HB MET 20 HB1 MET 20 -15.552 1.704 -1.597 130 1HG MET 20 HG2 MET 20 -17.818 1.993 -3.387 131 2HG MET 20 HG1 MET 20 -17.952 3.002 -1.948 132 1HE MET 20 HE1 MET 20 -17.937 4.244 -4.716 133 2HE MET 20 HE2 MET 20 -16.853 3.097 -5.504 134 3HE MET 20 HE3 MET 20 -16.397 4.796 -5.376 135 H ALA 21 HN ALA 21 -14.167 0.677 -2.949 136 HA ALA 21 HA ALA 21 -12.977 -1.858 -2.211 137 1HB ALA 21 HB1 ALA 21 -11.725 -1.172 -3.939 138 2HB ALA 21 HB2 ALA 21 -10.871 -0.215 -2.729 139 3HB ALA 21 HB3 ALA 21 -12.145 0.525 -3.699 140 H LYS 22 HN LYS 22 -13.580 -1.772 0.052 141 HA LYS 22 HA LYS 22 -12.358 0.252 1.718 142 1HB LYS 22 HB1 LYS 22 -13.789 -2.265 2.582 143 2HB LYS 22 HB2 LYS 22 -13.470 -0.837 3.557 144 1HG LYS 22 HG2 LYS 22 -14.965 0.472 2.138 145 2HG LYS 22 HG1 LYS 22 -15.282 -0.958 1.154 146 1HD LYS 22 HD1 LYS 22 -15.722 -1.202 4.075 147 2HD LYS 22 HD2 LYS 22 -16.869 -0.216 3.166 148 1HE LYS 22 HE1 LYS 22 -17.452 -2.034 1.760 149 2HE LYS 22 HE2 LYS 22 -16.109 -3.009 2.353 150 1HZ LYS 22 HZ1 LYS 22 -17.297 -2.737 4.614 151 2HZ LYS 22 HZ2 LYS 22 -17.891 -3.864 3.501 152 3HZ LYS 22 HZ3 LYS 22 -18.657 -2.366 3.676 153 H TYR 23 HN TYR 23 -10.204 -0.490 0.723 154 HA TYR 23 HA TYR 23 -9.088 -2.889 1.911 155 1HB TYR 23 HB2 TYR 23 -8.144 -0.858 -0.075 156 2HB TYR 23 HB1 TYR 23 -6.956 -1.863 0.747 157 HD1 TYR 23 HD1 TYR 23 -9.270 -1.665 -1.955 158 HD2 TYR 23 HD2 TYR 23 -7.272 -4.410 0.610 159 HE1 TYR 23 HE1 TYR 23 -9.686 -3.471 -3.572 160 HE2 TYR 23 HE2 TYR 23 -7.682 -6.223 -1.000 161 HH TYR 23 HH TYR 23 -8.591 -5.719 -4.144 162 H GLN 24 HN GLN 24 -8.758 -2.691 4.055 163 HA GLN 24 HA GLN 24 -7.844 -0.257 5.265 164 1HB GLN 24 HB2 GLN 24 -8.966 -2.733 6.141 165 2HB GLN 24 HB1 GLN 24 -7.471 -2.463 7.024 166 1HG GLN 24 HG2 GLN 24 -8.424 -0.933 8.306 167 2HG GLN 24 HG1 GLN 24 -9.020 -0.045 6.905 168 1HE2 GLN 24 HE2 GLN 24 -10.221 -0.753 9.556 169 2HE2 GLN 24 HE2 GLN 24 -11.739 -1.481 9.166 170 H VAL 25 HN VAL 25 -5.821 0.402 5.552 171 HA VAL 25 HA VAL 25 -3.634 -1.297 4.699 172 HB VAL 25 HB VAL 25 -3.458 1.516 5.771 173 1HG1 VAL 25 HG2 VAL 25 -1.591 0.379 3.760 174 2HG1 VAL 25 HG2 VAL 25 -1.429 -0.150 5.434 175 3HG1 VAL 25 HG2 VAL 25 -1.298 1.562 5.034 176 1HG2 VAL 25 HG1 VAL 25 -4.926 1.717 3.954 177 2HG2 VAL 25 HG1 VAL 25 -4.056 0.509 3.007 178 3HG2 VAL 25 HG1 VAL 25 -3.338 2.096 3.287 179 H THR 26 HN THR 26 -1.934 -1.992 5.960 180 HA THR 26 HA THR 26 -2.454 -2.034 8.841 181 HB THR 26 HB THR 26 -0.246 -3.700 8.004 182 HG1 THR 26 HG1 THR 26 -0.996 -4.356 6.169 183 1HG2 THR 26 HG2 THR 26 -2.212 -3.840 9.883 184 2HG2 THR 26 HG2 THR 26 -1.134 -5.158 9.425 185 3HG2 THR 26 HG2 THR 26 -2.736 -5.037 8.698 186 H LYS 27 HN LYS 27 0.305 -1.659 6.600 187 HA LYS 27 HA LYS 27 1.544 0.106 8.605 188 1HB LYS 27 HB2 LYS 27 2.538 -2.333 8.015 189 2HB LYS 27 HB1 LYS 27 3.350 -1.372 6.787 190 1HG LYS 27 HG2 LYS 27 3.450 -0.149 9.422 191 2HG LYS 27 HG1 LYS 27 4.190 -1.750 9.373 192 1HD LYS 27 HD2 LYS 27 5.150 -0.603 7.084 193 2HD LYS 27 HD1 LYS 27 5.081 0.773 8.187 194 1HE LYS 27 HE1 LYS 27 6.771 0.003 9.444 195 2HE LYS 27 HE2 LYS 27 6.180 -1.658 9.385 196 1HZ LYS 27 HZ1 LYS 27 7.675 -0.297 7.208 197 2HZ LYS 27 HZ2 LYS 27 7.150 -1.905 7.200 198 3HZ LYS 27 HZ3 LYS 27 8.336 -1.407 8.298 199 H THR 28 HN THR 28 3.086 1.662 7.705 200 HA THR 28 HA THR 28 2.603 2.319 4.883 201 HB THR 28 HB THR 28 2.404 4.239 7.214 202 HG1 THR 28 HG1 THR 28 0.338 4.007 7.005 203 1HG2 THR 28 HG2 THR 28 1.441 5.497 4.945 204 2HG2 THR 28 HG2 THR 28 2.963 4.763 4.441 205 3HG2 THR 28 HG2 THR 28 2.930 5.865 5.816 206 H LEU 29 HN LEU 29 4.477 2.564 3.834 207 HA LEU 29 HA LEU 29 6.889 3.101 5.406 208 1HB LEU 29 HB1 LEU 29 6.747 1.135 3.835 209 2HB LEU 29 HB2 LEU 29 6.704 2.281 2.510 210 HG LEU 29 HG LEU 29 8.957 2.438 4.458 211 1HD1 LEU 29 HD1 LEU 29 9.859 0.478 3.938 212 2HD1 LEU 29 HD1 LEU 29 9.640 0.777 2.214 213 3HD1 LEU 29 HD1 LEU 29 8.340 0.044 3.154 214 1HD2 LEU 29 HD2 LEU 29 8.853 4.156 2.821 215 2HD2 LEU 29 HD2 LEU 29 8.608 2.986 1.522 216 3HD2 LEU 29 HD2 LEU 29 10.159 3.063 2.357 217 H ASP 30 HN ASP 30 7.171 5.233 5.662 218 HA ASP 30 HA ASP 30 7.134 6.908 3.239 219 1HB ASP 30 HB2 ASP 30 6.741 8.806 4.995 220 2HB ASP 30 HB1 ASP 30 5.383 7.816 4.468 221 H VAL 31 HN VAL 31 9.156 7.338 2.662 222 HA VAL 31 HA VAL 31 11.033 8.253 4.716 223 HB VAL 31 HB VAL 31 12.851 6.947 3.397 224 1HG1 VAL 31 HG2 VAL 31 11.821 4.817 4.830 225 2HG1 VAL 31 HG2 VAL 31 11.135 6.234 5.623 226 3HG1 VAL 31 HG2 VAL 31 12.884 6.080 5.450 227 1HG2 VAL 31 HG1 VAL 31 12.039 5.770 1.681 228 2HG2 VAL 31 HG1 VAL 31 10.384 5.868 2.280 229 3HG2 VAL 31 HG1 VAL 31 11.474 4.629 2.901 230 H ARG 32 HN ARG 32 10.362 10.278 3.686 231 HA ARG 32 HA ARG 32 10.930 10.900 1.002 232 1HB ARG 32 HB2 ARG 32 9.909 12.243 3.281 233 2HB ARG 32 HB1 ARG 32 11.232 13.220 2.660 234 1HG ARG 32 HG2 ARG 32 10.072 12.884 0.367 235 2HG ARG 32 HG1 ARG 32 8.662 12.461 1.341 236 1HD ARG 32 HD2 ARG 32 8.239 14.649 1.419 237 2HD ARG 32 HD1 ARG 32 9.589 14.754 2.548 238 HE ARG 32 HE ARG 32 9.587 15.532 -0.256 239 1HH1 ARG 32 HH2 ARG 32 11.403 15.011 2.670 240 2HH1 ARG 32 HH2 ARG 32 12.754 15.965 2.155 241 1HH2 ARG 32 HH1 ARG 32 11.360 16.791 -0.943 242 2HH2 ARG 32 HH1 ARG 32 12.729 16.976 0.101 243 H GLY 33 HN GLY 33 12.465 13.320 1.323 244 1HA GLY 33 HA2 GLY 33 15.060 12.271 0.894 245 2HA GLY 33 HA1 GLY 33 14.648 13.972 1.033 246 H GLU 34 HN GLU 34 15.446 11.067 2.863 247 HA GLU 34 HA GLU 34 16.224 12.777 5.130 248 1HB GLU 34 HB2 GLU 34 15.918 10.866 6.574 249 2HB GLU 34 HB1 GLU 34 14.466 11.088 5.609 250 1HG GLU 34 HG2 GLU 34 15.680 9.358 4.028 251 2HG GLU 34 HG1 GLU 34 16.482 8.916 5.535 252 H VAL 35 HN VAL 35 17.803 10.834 6.445 253 HA VAL 35 HA VAL 35 20.069 10.570 4.588 254 HB VAL 35 HB VAL 35 21.337 11.807 5.900 255 1HG1 VAL 35 HG1 VAL 35 19.255 12.018 8.037 256 2HG1 VAL 35 HG1 VAL 35 19.021 12.779 6.463 257 3HG1 VAL 35 HG1 VAL 35 20.400 13.233 7.465 258 1HG2 VAL 35 HG2 VAL 35 22.091 11.074 8.009 259 2HG2 VAL 35 HG2 VAL 35 21.723 9.617 7.085 260 3HG2 VAL 35 HG2 VAL 35 20.600 10.186 8.318 261 H CYS 36 HN CYS 36 21.343 8.734 4.716 262 HA CYS 36 HA CYS 36 20.022 6.385 5.702 263 1HB CYS 36 HB2 CYS 36 22.791 6.671 4.507 264 2HB CYS 36 HB1 CYS 36 21.892 5.171 4.702 265 HG CYS 36 HG CYS 36 21.140 5.607 2.414 266 HA PRO 37 HA PRO 37 20.940 4.329 5.946 267 1HB PRO 37 HB1 PRO 37 21.136 2.275 7.624 268 2HB PRO 37 HB2 PRO 37 22.581 2.970 6.880 269 1HG PRO 37 HG1 PRO 37 21.538 3.277 9.655 270 2HG PRO 37 HG2 PRO 37 23.214 3.208 9.084 271 1HD PRO 37 HD1 PRO 37 21.735 5.535 9.696 272 2HD PRO 37 HD2 PRO 37 23.306 5.463 8.873 273 H VAL 38 HN VAL 38 19.333 6.202 7.654 274 HA VAL 38 HA VAL 38 17.446 4.828 9.191 275 HB VAL 38 HB VAL 38 17.011 7.371 7.622 276 1HG1 VAL 38 HG2 VAL 38 15.402 7.703 9.665 277 2HG1 VAL 38 HG2 VAL 38 15.420 5.941 9.698 278 3HG1 VAL 38 HG2 VAL 38 14.879 6.789 8.250 279 1HG2 VAL 38 HG1 VAL 38 18.538 6.765 10.030 280 2HG2 VAL 38 HG1 VAL 38 17.354 8.052 10.258 281 3HG2 VAL 38 HG1 VAL 38 18.575 8.191 8.993 282 HA PRO 39 HA PRO 39 14.649 4.501 5.284 283 1HB PRO 39 HB1 PRO 39 15.728 4.924 2.847 284 2HB PRO 39 HB2 PRO 39 15.062 6.237 3.825 285 1HG PRO 39 HG1 PRO 39 17.916 5.400 3.466 286 2HG PRO 39 HG2 PRO 39 17.222 7.032 3.474 287 1HD PRO 39 HD2 PRO 39 18.470 5.945 5.630 288 2HD PRO 39 HD1 PRO 39 17.153 7.127 5.771 289 H ASP 40 HN ASP 40 17.936 3.425 5.303 290 HA ASP 40 HA ASP 40 17.637 1.246 3.496 291 1HB ASP 40 HB1 ASP 40 19.683 1.853 5.635 292 2HB ASP 40 HB2 ASP 40 19.779 0.442 4.585 293 H VAL 41 HN VAL 41 18.040 1.264 7.041 294 HA VAL 41 HA VAL 41 17.336 -1.443 7.386 295 HB VAL 41 HB VAL 41 16.962 0.649 9.512 296 1HG1 VAL 41 HG2 VAL 41 18.038 -1.366 10.803 297 2HG1 VAL 41 HG2 VAL 41 17.440 -2.291 9.427 298 3HG1 VAL 41 HG2 VAL 41 16.317 -1.358 10.416 299 1HG2 VAL 41 HG1 VAL 41 19.501 -0.374 8.314 300 2HG2 VAL 41 HG1 VAL 41 19.438 0.043 10.025 301 3HG2 VAL 41 HG1 VAL 41 19.074 1.264 8.806 302 H GLU 42 HN GLU 42 15.434 1.421 7.018 303 HA GLU 42 HA GLU 42 13.061 0.588 8.276 304 1HB GLU 42 HB2 GLU 42 13.563 2.919 7.545 305 2HB GLU 42 HB1 GLU 42 13.325 2.411 5.879 306 1HG GLU 42 HG2 GLU 42 11.136 2.671 6.045 307 2HG GLU 42 HG1 GLU 42 11.069 1.647 7.479 308 H THR 43 HN THR 43 13.424 0.904 4.750 309 HA THR 43 HA THR 43 11.305 -0.780 4.108 310 HB THR 43 HB THR 43 12.282 0.783 2.503 311 HG1 THR 43 HG1 THR 43 11.345 -0.595 1.229 312 1HG2 THR 43 HG2 THR 43 14.629 -1.089 2.355 313 2HG2 THR 43 HG2 THR 43 14.646 0.532 3.050 314 3HG2 THR 43 HG2 THR 43 14.338 0.313 1.327 315 H LYS 44 HN LYS 44 14.601 -1.522 4.928 316 HA LYS 44 HA LYS 44 14.883 -4.067 3.849 317 1HB LYS 44 HB2 LYS 44 16.732 -2.896 4.912 318 2HB LYS 44 HB1 LYS 44 15.928 -2.983 6.473 319 1HG LYS 44 HG2 LYS 44 17.246 -4.767 6.776 320 2HG LYS 44 HG1 LYS 44 16.018 -5.602 5.821 321 1HD LYS 44 HD2 LYS 44 17.523 -6.054 4.251 322 2HD LYS 44 HD1 LYS 44 17.842 -4.331 4.041 323 1HE LYS 44 HE1 LYS 44 19.742 -4.405 5.242 324 2HE LYS 44 HE2 LYS 44 19.070 -5.532 6.420 325 1HZ LYS 44 HZ1 LYS 44 20.772 -6.067 4.235 326 2HZ LYS 44 HZ2 LYS 44 19.330 -6.930 4.043 327 3HZ LYS 44 HZ3 LYS 44 20.246 -7.117 5.451 328 H ARG 45 HN ARG 45 13.596 -3.142 7.041 329 HA ARG 45 HA ARG 45 12.935 -5.746 7.872 330 1HB ARG 45 HB1 ARG 45 13.119 -3.769 9.357 331 2HB ARG 45 HB2 ARG 45 11.603 -3.172 8.695 332 1HG ARG 45 HG1 ARG 45 10.713 -4.240 10.459 333 2HG ARG 45 HG2 ARG 45 10.865 -5.654 9.412 334 1HD ARG 45 HD1 ARG 45 12.288 -6.607 10.814 335 2HD ARG 45 HD2 ARG 45 13.343 -5.194 10.766 336 HE ARG 45 HE ARG 45 11.100 -4.770 12.466 337 1HH1 ARG 45 HH2 ARG 45 14.214 -6.329 12.300 338 2HH1 ARG 45 HH2 ARG 45 14.470 -6.283 14.011 339 1HH2 ARG 45 HH1 ARG 45 11.430 -4.705 14.718 340 2HH2 ARG 45 HH1 ARG 45 12.888 -5.360 15.387 341 H ALA 46 HN ALA 46 11.221 -3.385 5.929 342 HA ALA 46 HA ALA 46 8.651 -4.487 6.047 343 1HB ALA 46 HB1 ALA 46 10.090 -2.757 4.096 344 2HB ALA 46 HB2 ALA 46 8.654 -2.418 5.064 345 3HB ALA 46 HB3 ALA 46 8.533 -3.450 3.638 346 H LEU 47 HN LEU 47 11.373 -5.209 3.904 347 HA LEU 47 HA LEU 47 9.919 -7.140 2.364 348 1HB LEU 47 HB2 LEU 47 12.893 -7.114 2.439 349 2HB LEU 47 HB1 LEU 47 11.818 -7.330 1.073 350 HG LEU 47 HG LEU 47 12.293 -4.719 2.482 351 1HD1 LEU 47 HD1 LEU 47 13.368 -4.406 0.027 352 2HD1 LEU 47 HD1 LEU 47 13.768 -6.093 0.353 353 3HD1 LEU 47 HD1 LEU 47 14.290 -4.829 1.470 354 1HD2 LEU 47 HD2 LEU 47 10.148 -5.364 1.010 355 2HD2 LEU 47 HD2 LEU 47 11.244 -4.846 -0.270 356 3HD2 LEU 47 HD2 LEU 47 10.844 -3.744 1.047 357 H GLN 48 HN GLN 48 12.409 -7.330 4.892 358 HA GLN 48 HA GLN 48 12.499 -10.182 4.854 359 1HB GLN 48 HB1 GLN 48 13.990 -8.068 6.031 360 2HB GLN 48 HB2 GLN 48 13.496 -9.153 7.324 361 1HG GLN 48 HG1 GLN 48 14.354 -10.991 5.643 362 2HG GLN 48 HG2 GLN 48 15.301 -9.640 5.019 363 1HE2 GLN 48 HE2 GLN 48 17.285 -10.227 5.686 364 2HE2 GLN 48 HE2 GLN 48 17.742 -10.422 7.341 365 H ASN 49 HN ASN 49 10.369 -7.953 6.298 366 HA ASN 49 HA ASN 49 9.266 -10.112 7.964 367 1HB ASN 49 HB2 ASN 49 10.425 -7.749 8.948 368 2HB ASN 49 HB1 ASN 49 8.685 -7.512 9.090 369 1HD2 ASN 49 HD2 ASN 49 7.511 -8.766 10.495 370 2HD2 ASN 49 HD2 ASN 49 8.245 -9.792 11.675 371 H MET 50 HN MET 50 8.132 -10.146 5.724 372 HA MET 50 HA MET 50 5.819 -8.326 5.780 373 1HB MET 50 HB1 MET 50 5.511 -8.892 3.405 374 2HB MET 50 HB2 MET 50 7.098 -8.199 3.709 375 1HG MET 50 HG1 MET 50 7.777 -10.738 3.926 376 2HG MET 50 HG2 MET 50 6.346 -10.957 2.921 377 1HE MET 50 HE1 MET 50 8.950 -11.616 0.455 378 2HE MET 50 HE2 MET 50 8.613 -12.110 2.115 379 3HE MET 50 HE3 MET 50 10.050 -11.153 1.754 380 H LYS 51 HN LYS 51 3.784 -9.123 5.958 381 HA LYS 51 HA LYS 51 3.537 -11.963 6.561 382 1HB LYS 51 HB2 LYS 51 2.453 -9.721 7.722 383 2HB LYS 51 HB1 LYS 51 1.119 -10.320 6.749 384 1HG LYS 51 HG1 LYS 51 0.684 -11.906 8.232 385 2HG LYS 51 HG2 LYS 51 2.348 -12.491 8.161 386 1HD LYS 51 HD1 LYS 51 1.700 -10.028 9.726 387 2HD LYS 51 HD2 LYS 51 1.377 -11.620 10.416 388 1HE LYS 51 HE2 LYS 51 4.033 -10.587 9.432 389 2HE LYS 51 HE1 LYS 51 3.563 -10.848 11.112 390 1HZ LYS 51 HZ1 LYS 51 3.109 -13.259 10.015 391 2HZ LYS 51 HZ2 LYS 51 4.531 -12.827 10.824 392 3HZ LYS 51 HZ3 LYS 51 4.461 -12.748 9.136 393 HA PRO 52 HA PRO 52 1.875 -13.465 2.787 394 1HB PRO 52 HB1 PRO 52 -0.466 -14.261 4.480 395 2HB PRO 52 HB2 PRO 52 0.404 -15.197 3.258 396 1HG PRO 52 HG1 PRO 52 0.874 -15.582 5.852 397 2HG PRO 52 HG2 PRO 52 2.194 -15.623 4.670 398 1HD PRO 52 HD2 PRO 52 1.527 -13.556 6.687 399 2HD PRO 52 HD1 PRO 52 3.096 -13.971 5.970 400 H GLY 53 HN GLY 53 -0.809 -12.201 4.798 401 1HA GLY 53 HA1 GLY 53 -1.897 -10.934 2.372 402 2HA GLY 53 HA2 GLY 53 -2.828 -11.347 3.802 403 H GLU 54 HN GLU 54 0.125 -9.432 3.162 404 HA GLU 54 HA GLU 54 -0.822 -7.444 5.071 405 1HB GLU 54 HB2 GLU 54 1.780 -8.166 3.904 406 2HB GLU 54 HB1 GLU 54 1.533 -6.438 4.127 407 1HG GLU 54 HG1 GLU 54 1.200 -8.514 6.280 408 2HG GLU 54 HG2 GLU 54 2.642 -7.528 6.039 409 H ILE 55 HN ILE 55 -1.023 -5.248 4.622 410 HA ILE 55 HA ILE 55 -1.166 -4.458 1.797 411 HB ILE 55 HB ILE 55 -3.256 -3.647 3.820 412 1HG1 ILE 55 HG1 ILE 55 -4.518 -5.171 1.877 413 2HG1 ILE 55 HG1 ILE 55 -3.031 -6.063 2.189 414 1HG2 ILE 55 HG2 ILE 55 -2.607 -2.880 1.075 415 2HG2 ILE 55 HG2 ILE 55 -3.549 -2.030 2.301 416 3HG2 ILE 55 HG2 ILE 55 -4.304 -3.289 1.325 417 1HD1 ILE 55 HD1 ILE 55 -4.511 -6.991 3.689 418 2HD1 ILE 55 HD1 ILE 55 -5.285 -5.446 4.041 419 3HD1 ILE 55 HD1 ILE 55 -3.676 -5.789 4.675 420 H LEU 56 HN LEU 56 0.357 -2.914 1.636 421 HA LEU 56 HA LEU 56 0.635 -1.024 3.875 422 1HB LEU 56 HB2 LEU 56 2.580 -2.564 2.316 423 2HB LEU 56 HB1 LEU 56 3.000 -0.870 2.490 424 HG LEU 56 HG LEU 56 2.663 -1.192 4.996 425 1HD1 LEU 56 HD2 LEU 56 2.162 -3.913 4.008 426 2HD1 LEU 56 HD2 LEU 56 1.646 -3.126 5.501 427 3HD1 LEU 56 HD2 LEU 56 3.270 -3.800 5.377 428 1HD2 LEU 56 HD1 LEU 56 4.858 -1.243 3.554 429 2HD2 LEU 56 HD1 LEU 56 4.882 -2.936 4.053 430 3HD2 LEU 56 HD1 LEU 56 4.887 -1.657 5.268 431 H GLU 57 HN GLU 57 1.724 1.034 3.244 432 HA GLU 57 HA GLU 57 1.066 1.996 0.577 433 1HB GLU 57 HB2 GLU 57 -0.897 2.755 1.532 434 2HB GLU 57 HB1 GLU 57 -0.173 2.966 3.120 435 1HG GLU 57 HG2 GLU 57 1.165 4.869 1.949 436 2HG GLU 57 HG1 GLU 57 -0.133 4.787 0.759 437 H VAL 58 HN VAL 58 2.901 2.833 -0.135 438 HA VAL 58 HA VAL 58 4.726 4.063 1.790 439 HB VAL 58 HB VAL 58 6.003 2.418 0.964 440 1HG1 VAL 58 HG1 VAL 58 4.147 1.424 -0.261 441 2HG1 VAL 58 HG1 VAL 58 5.683 1.254 -1.118 442 3HG1 VAL 58 HG1 VAL 58 4.513 2.468 -1.639 443 1HG2 VAL 58 HG2 VAL 58 7.489 3.093 -0.768 444 2HG2 VAL 58 HG2 VAL 58 7.009 4.542 0.117 445 3HG2 VAL 58 HG2 VAL 58 6.283 4.183 -1.450 446 H TRP 59 HN TRP 59 5.504 6.059 1.528 447 HA TRP 59 HA TRP 59 4.731 7.561 -0.887 448 1HB TRP 59 HB1 TRP 59 3.355 8.587 0.649 449 2HB TRP 59 HB2 TRP 59 4.415 8.220 2.004 450 HD1 TRP 59 HD1 TRP 59 6.234 10.012 2.665 451 HE1 TRP 59 HE1 TRP 59 6.613 12.462 1.971 452 HE3 TRP 59 HE3 TRP 59 3.145 10.191 -1.405 453 HZ2 TRP 59 HZ2 TRP 59 5.721 14.235 -0.036 454 HZ3 TRP 59 HZ3 TRP 59 2.965 12.300 -2.656 455 HH2 TRP 59 HH2 TRP 59 4.226 14.280 -1.985 456 H ILE 60 HN ILE 60 6.448 8.240 -2.000 457 HA ILE 60 HA ILE 60 8.765 9.326 -0.673 458 HB ILE 60 HB ILE 60 10.156 7.634 -2.250 459 1HG1 ILE 60 HG1 ILE 60 9.252 5.330 -1.747 460 2HG1 ILE 60 HG1 ILE 60 7.751 6.100 -1.245 461 1HG2 ILE 60 HG2 ILE 60 10.006 6.242 0.140 462 2HG2 ILE 60 HG2 ILE 60 9.589 7.901 0.572 463 3HG2 ILE 60 HG2 ILE 60 11.113 7.559 -0.247 464 1HD1 ILE 60 HD1 ILE 60 8.757 6.823 -3.919 465 2HD1 ILE 60 HD1 ILE 60 7.110 6.532 -3.358 466 3HD1 ILE 60 HD1 ILE 60 8.175 5.171 -3.708 467 H ASP 61 HN ASP 61 10.593 9.304 -2.655 468 HA ASP 61 HA ASP 61 9.253 10.780 -4.814 469 1HB ASP 61 HB1 ASP 61 12.073 10.907 -3.737 470 2HB ASP 61 HB2 ASP 61 11.591 11.685 -5.242 471 H TYR 62 HN TYR 62 10.673 7.869 -4.078 472 HA TYR 62 HA TYR 62 10.886 7.162 -6.899 473 1HB TYR 62 HB1 TYR 62 13.017 5.769 -5.914 474 2HB TYR 62 HB2 TYR 62 13.143 7.293 -6.786 475 HD1 TYR 62 HD1 TYR 62 14.146 9.141 -5.775 476 HD2 TYR 62 HD2 TYR 62 12.848 5.899 -3.345 477 HE1 TYR 62 HE1 TYR 62 15.234 10.173 -3.826 478 HE2 TYR 62 HE2 TYR 62 13.932 6.922 -1.390 479 HH TYR 62 HH TYR 62 14.859 10.041 -1.223 480 HA PRO 63 HA PRO 63 8.187 4.006 -5.133 481 1HB PRO 63 HB2 PRO 63 8.981 2.779 -7.743 482 2HB PRO 63 HB1 PRO 63 7.382 2.898 -6.999 483 1HG PRO 63 HG1 PRO 63 8.080 4.534 -8.980 484 2HG PRO 63 HG2 PRO 63 7.120 5.123 -7.611 485 1HD PRO 63 HD1 PRO 63 9.986 5.583 -8.251 486 2HD PRO 63 HD2 PRO 63 8.833 6.634 -7.405 487 H MET 64 HN MET 64 9.260 2.996 -3.496 488 HA MET 64 HA MET 64 11.738 1.644 -3.823 489 1HB MET 64 HB1 MET 64 9.715 1.880 -1.641 490 2HB MET 64 HB2 MET 64 10.918 0.601 -1.534 491 1HG MET 64 HG1 MET 64 12.395 2.839 -2.190 492 2HG MET 64 HG2 MET 64 11.181 3.446 -1.063 493 1HE MET 64 HE1 MET 64 14.925 2.541 0.338 494 2HE MET 64 HE2 MET 64 14.303 3.168 -1.188 495 3HE MET 64 HE3 MET 64 14.761 1.470 -1.053 496 H SER 65 HN SER 65 8.657 0.838 -4.785 497 HA SER 65 HA SER 65 8.510 -1.915 -4.260 498 1HB SER 65 HB1 SER 65 6.999 -1.940 -6.309 499 2HB SER 65 HB2 SER 65 6.535 -0.817 -5.030 500 HG SER 65 HG SER 65 8.178 0.027 -7.154 501 H LYS 66 HN LYS 66 10.649 -0.177 -6.200 502 HA LYS 66 HA LYS 66 11.112 -1.829 -8.382 503 1HB LYS 66 HB2 LYS 66 13.495 -0.930 -8.228 504 2HB LYS 66 HB1 LYS 66 12.212 0.267 -8.346 505 1HG LYS 66 HG2 LYS 66 12.917 1.228 -6.483 506 2HG LYS 66 HG1 LYS 66 12.676 -0.277 -5.593 507 1HD LYS 66 HD1 LYS 66 14.887 -0.288 -5.289 508 2HD LYS 66 HD2 LYS 66 15.010 -0.729 -6.994 509 1HE LYS 66 HE1 LYS 66 14.703 2.009 -7.067 510 2HE LYS 66 HE2 LYS 66 15.719 1.754 -5.647 511 1HZ LYS 66 HZ1 LYS 66 17.445 1.136 -6.902 512 2HZ LYS 66 HZ2 LYS 66 16.622 1.887 -8.175 513 3HZ LYS 66 HZ3 LYS 66 16.499 0.213 -7.958 514 H GLU 67 HN GLU 67 12.270 -2.089 -5.066 515 HA GLU 67 HA GLU 67 13.744 -4.529 -5.716 516 1HB GLU 67 HB1 GLU 67 14.116 -2.466 -3.833 517 2HB GLU 67 HB2 GLU 67 13.685 -3.895 -2.902 518 1HG GLU 67 HG2 GLU 67 15.729 -4.695 -3.127 519 2HG GLU 67 HG1 GLU 67 15.588 -4.637 -4.884 520 H ARG 68 HN ARG 68 10.840 -3.399 -4.207 521 HA ARG 68 HA ARG 68 10.172 -5.692 -2.718 522 1HB ARG 68 HB1 ARG 68 8.566 -3.441 -3.897 523 2HB ARG 68 HB2 ARG 68 7.774 -4.782 -3.080 524 1HG ARG 68 HG1 ARG 68 9.513 -4.201 -1.183 525 2HG ARG 68 HG2 ARG 68 9.479 -2.621 -1.971 526 1HD ARG 68 HD2 ARG 68 6.808 -3.609 -1.686 527 2HD ARG 68 HD1 ARG 68 7.632 -3.682 -0.129 528 HE ARG 68 HE ARG 68 7.192 -1.256 -1.729 529 1HH1 ARG 68 HH1 ARG 68 8.059 -2.804 1.272 530 2HH1 ARG 68 HH1 ARG 68 8.022 -1.335 2.188 531 1HH2 ARG 68 HH2 ARG 68 7.141 0.680 -0.529 532 2HH2 ARG 68 HH2 ARG 68 7.501 0.646 1.165 533 H ILE 69 HN ILE 69 9.782 -4.894 -6.119 534 HA ILE 69 HA ILE 69 7.908 -6.880 -6.775 535 HB ILE 69 HB ILE 69 10.021 -5.602 -8.505 536 1HG1 ILE 69 HG1 ILE 69 7.097 -5.082 -8.768 537 2HG1 ILE 69 HG1 ILE 69 7.938 -4.359 -7.399 538 1HG2 ILE 69 HG2 ILE 69 7.844 -7.549 -9.160 539 2HG2 ILE 69 HG2 ILE 69 9.535 -7.561 -9.659 540 3HG2 ILE 69 HG2 ILE 69 8.416 -6.390 -10.359 541 1HD1 ILE 69 HD1 ILE 69 8.570 -3.969 -10.313 542 2HD1 ILE 69 HD1 ILE 69 9.530 -3.325 -8.980 543 3HD1 ILE 69 HD1 ILE 69 7.864 -2.791 -9.206 544 HA PRO 70 HA PRO 70 11.848 -9.594 -8.138 545 1HB PRO 70 HB1 PRO 70 13.613 -8.507 -5.984 546 2HB PRO 70 HB2 PRO 70 14.042 -9.145 -7.575 547 1HG PRO 70 HG2 PRO 70 14.015 -6.523 -7.136 548 2HG PRO 70 HG1 PRO 70 13.423 -7.191 -8.669 549 1HD PRO 70 HD1 PRO 70 11.893 -6.087 -6.366 550 2HD PRO 70 HD2 PRO 70 11.519 -6.038 -8.099 551 H GLU 71 HN GLU 71 11.406 -8.543 -4.767 552 HA GLU 71 HA GLU 71 11.817 -11.092 -3.614 553 1HB GLU 71 HB1 GLU 71 10.846 -8.460 -2.732 554 2HB GLU 71 HB2 GLU 71 10.164 -9.814 -1.841 555 1HG GLU 71 HG1 GLU 71 12.033 -10.095 -0.691 556 2HG GLU 71 HG2 GLU 71 13.005 -10.136 -2.161 557 H THR 72 HN THR 72 8.853 -9.354 -4.529 558 HA THR 72 HA THR 72 7.075 -11.334 -3.626 559 HB THR 72 HB THR 72 6.418 -9.509 -5.915 560 HG1 THR 72 HG1 THR 72 6.226 -8.634 -3.262 561 1HG2 THR 72 HG2 THR 72 4.306 -9.262 -4.568 562 2HG2 THR 72 HG2 THR 72 4.887 -10.606 -3.582 563 3HG2 THR 72 HG2 THR 72 4.582 -10.842 -5.303 564 H VAL 73 HN VAL 73 8.645 -10.889 -6.789 565 HA VAL 73 HA VAL 73 7.120 -12.818 -8.134 566 HB VAL 73 HB VAL 73 8.611 -12.630 -9.886 567 1HG1 VAL 73 HG1 VAL 73 8.142 -10.240 -8.385 568 2HG1 VAL 73 HG1 VAL 73 8.144 -10.485 -10.132 569 3HG1 VAL 73 HG1 VAL 73 9.650 -10.117 -9.291 570 1HG2 VAL 73 HG2 VAL 73 11.004 -11.711 -9.454 571 2HG2 VAL 73 HG2 VAL 73 10.648 -13.413 -9.156 572 3HG2 VAL 73 HG2 VAL 73 10.712 -12.276 -7.809 573 H LYS 74 HN LYS 74 9.827 -13.040 -5.960 574 HA LYS 74 HA LYS 74 10.687 -15.659 -6.532 575 1HB LYS 74 HB2 LYS 74 11.190 -13.692 -4.544 576 2HB LYS 74 HB1 LYS 74 10.751 -15.173 -3.705 577 1HG LYS 74 HG2 LYS 74 12.632 -15.644 -5.866 578 2HG LYS 74 HG1 LYS 74 13.249 -14.510 -4.662 579 1HD LYS 74 HD1 LYS 74 12.257 -16.349 -3.010 580 2HD LYS 74 HD2 LYS 74 12.579 -17.388 -4.400 581 1HE LYS 74 HE1 LYS 74 14.789 -17.308 -4.083 582 2HE LYS 74 HE2 LYS 74 14.772 -15.566 -3.814 583 1HZ LYS 74 HZ1 LYS 74 15.443 -16.357 -1.784 584 2HZ LYS 74 HZ2 LYS 74 14.479 -17.745 -1.863 585 3HZ LYS 74 HZ3 LYS 74 13.774 -16.242 -1.537 586 H LYS 75 HN LYS 75 8.227 -14.366 -4.362 587 HA LYS 75 HA LYS 75 7.216 -17.026 -3.776 588 1HB LYS 75 HB1 LYS 75 5.448 -15.699 -2.477 589 2HB LYS 75 HB2 LYS 75 7.101 -15.646 -1.889 590 1HG LYS 75 HG2 LYS 75 6.802 -13.483 -3.671 591 2HG LYS 75 HG1 LYS 75 5.382 -13.500 -2.628 592 1HD LYS 75 HD2 LYS 75 7.750 -14.007 -1.085 593 2HD LYS 75 HD1 LYS 75 7.934 -12.518 -2.017 594 1HE LYS 75 HE1 LYS 75 5.326 -12.871 -0.710 595 2HE LYS 75 HE2 LYS 75 6.692 -12.677 0.388 596 1HZ LYS 75 HZ1 LYS 75 6.185 -10.826 -1.868 597 2HZ LYS 75 HZ2 LYS 75 7.213 -10.597 -0.544 598 3HZ LYS 75 HZ3 LYS 75 5.535 -10.579 -0.326 599 H LEU 76 HN LEU 76 5.324 -14.134 -4.650 600 HA LEU 76 HA LEU 76 3.732 -15.823 -6.446 601 1HB LEU 76 HB1 LEU 76 2.307 -13.522 -6.263 602 2HB LEU 76 HB2 LEU 76 2.057 -14.931 -5.251 603 HG LEU 76 HG LEU 76 4.041 -12.924 -4.319 604 1HD1 LEU 76 HD2 LEU 76 2.621 -11.217 -4.426 605 2HD1 LEU 76 HD2 LEU 76 1.641 -12.064 -3.230 606 3HD1 LEU 76 HD2 LEU 76 1.298 -12.259 -4.949 607 1HD2 LEU 76 HD1 LEU 76 2.331 -13.622 -2.275 608 2HD2 LEU 76 HD1 LEU 76 3.897 -14.358 -2.619 609 3HD2 LEU 76 HD1 LEU 76 2.422 -15.088 -3.252 610 H GLY 77 HN GLY 77 3.695 -12.351 -6.602 611 1HA GLY 77 HA2 GLY 77 5.399 -12.327 -8.980 612 2HA GLY 77 HA1 GLY 77 3.728 -11.813 -9.169 613 H HIS 78 HN HIS 78 3.004 -9.947 -7.949 614 HA HIS 78 HA HIS 78 5.085 -8.272 -6.788 615 1HB HIS 78 HB1 HIS 78 3.653 -6.454 -8.352 616 2HB HIS 78 HB2 HIS 78 5.312 -6.982 -8.606 617 HD2 HIS 78 HD2 HIS 78 5.584 -7.588 -11.185 618 HE1 HIS 78 HE1 HIS 78 1.815 -9.434 -11.736 619 HE2 HIS 78 HE2 HIS 78 4.011 -8.816 -12.844 620 H GLU 79 HN GLU 79 4.291 -6.574 -5.479 621 HA GLU 79 HA GLU 79 1.617 -7.077 -4.459 622 1HB GLU 79 HB1 GLU 79 3.661 -5.215 -3.276 623 2HB GLU 79 HB2 GLU 79 2.360 -6.073 -2.462 624 1HG GLU 79 HG2 GLU 79 3.567 -7.960 -2.225 625 2HG GLU 79 HG1 GLU 79 4.392 -7.756 -3.772 626 H VAL 80 HN VAL 80 1.321 -5.954 -6.809 627 HA VAL 80 HA VAL 80 1.195 -3.050 -6.481 628 HB VAL 80 HB VAL 80 2.182 -3.532 -8.536 629 1HG1 VAL 80 HG2 VAL 80 0.973 -5.159 -10.159 630 2HG1 VAL 80 HG2 VAL 80 0.206 -5.769 -8.694 631 3HG1 VAL 80 HG2 VAL 80 1.962 -5.812 -8.852 632 1HG2 VAL 80 HG1 VAL 80 0.839 -2.460 -10.045 633 2HG2 VAL 80 HG1 VAL 80 -0.016 -2.078 -8.551 634 3HG2 VAL 80 HG1 VAL 80 -0.597 -3.379 -9.590 635 H LEU 81 HN LEU 81 -0.611 -2.212 -5.724 636 HA LEU 81 HA LEU 81 -3.169 -3.351 -6.583 637 1HB LEU 81 HB1 LEU 81 -4.104 -3.039 -4.359 638 2HB LEU 81 HB2 LEU 81 -2.739 -4.137 -4.314 639 HG LEU 81 HG LEU 81 -2.484 -1.216 -3.612 640 1HD1 LEU 81 HD2 LEU 81 -3.251 -1.540 -1.545 641 2HD1 LEU 81 HD2 LEU 81 -2.448 -3.107 -1.396 642 3HD1 LEU 81 HD2 LEU 81 -4.022 -2.990 -2.189 643 1HD2 LEU 81 HD1 LEU 81 -0.509 -2.116 -2.362 644 2HD2 LEU 81 HD1 LEU 81 -0.397 -2.207 -4.119 645 3HD2 LEU 81 HD1 LEU 81 -0.780 -3.653 -3.184 646 H GLU 82 HN GLU 82 -1.320 -0.549 -5.553 647 HA GLU 82 HA GLU 82 -3.252 1.116 -6.971 648 1HB GLU 82 HB2 GLU 82 -3.684 0.858 -4.333 649 2HB GLU 82 HB1 GLU 82 -2.529 2.184 -4.304 650 1HG GLU 82 HG2 GLU 82 -4.622 2.542 -6.291 651 2HG GLU 82 HG1 GLU 82 -5.240 2.402 -4.646 652 H ILE 83 HN ILE 83 -2.321 2.694 -8.065 653 HA ILE 83 HA ILE 83 0.334 3.657 -7.235 654 HB ILE 83 HB ILE 83 -0.263 3.504 -10.147 655 1HG1 ILE 83 HG1 ILE 83 -0.801 1.236 -9.230 656 2HG1 ILE 83 HG1 ILE 83 0.549 1.247 -10.359 657 1HG2 ILE 83 HG2 ILE 83 1.993 3.999 -8.416 658 2HG2 ILE 83 HG2 ILE 83 1.788 4.354 -10.131 659 3HG2 ILE 83 HG2 ILE 83 2.361 2.766 -9.621 660 1HD1 ILE 83 HD1 ILE 83 2.123 1.065 -8.562 661 2HD1 ILE 83 HD1 ILE 83 0.906 -0.199 -8.394 662 3HD1 ILE 83 HD1 ILE 83 0.836 1.234 -7.368 663 H GLU 84 HN GLU 84 0.502 5.843 -7.199 664 HA GLU 84 HA GLU 84 -1.145 7.480 -8.920 665 1HB GLU 84 HB1 GLU 84 -2.252 8.709 -7.158 666 2HB GLU 84 HB2 GLU 84 -2.633 7.001 -6.996 667 1HG GLU 84 HG1 GLU 84 -0.974 6.798 -5.216 668 2HG GLU 84 HG2 GLU 84 -0.595 8.512 -5.378 669 H GLU 85 HN GLU 85 -0.765 9.887 -8.342 670 HA GLU 85 HA GLU 85 1.922 10.347 -7.284 671 1HB GLU 85 HB1 GLU 85 2.147 11.964 -9.369 672 2HB GLU 85 HB2 GLU 85 2.625 10.275 -9.465 673 1HG GLU 85 HG2 GLU 85 0.766 9.685 -10.714 674 2HG GLU 85 HG1 GLU 85 -0.144 11.112 -10.218 675 H VAL 86 HN VAL 86 2.367 12.812 -7.283 676 HA VAL 86 HA VAL 86 -0.085 14.357 -6.878 677 HB VAL 86 HB VAL 86 0.337 13.607 -4.663 678 1HG1 VAL 86 HG2 VAL 86 2.812 13.076 -5.282 679 2HG1 VAL 86 HG2 VAL 86 2.380 13.451 -3.613 680 3HG1 VAL 86 HG2 VAL 86 3.119 14.687 -4.631 681 1HG2 VAL 86 HG1 VAL 86 0.159 15.607 -3.649 682 2HG2 VAL 86 HG1 VAL 86 0.185 16.230 -5.299 683 3HG2 VAL 86 HG1 VAL 86 1.665 16.209 -4.340 684 H GLY 87 HN GLY 87 3.484 14.497 -6.775 685 1HA GLY 87 HA1 GLY 87 3.290 17.095 -8.173 686 2HA GLY 87 HA2 GLY 87 4.493 16.775 -6.932 687 HA PRO 88 HA PRO 88 6.496 16.007 -11.041 688 1HB PRO 88 HB2 PRO 88 8.938 16.949 -10.263 689 2HB PRO 88 HB1 PRO 88 7.667 17.970 -10.942 690 1HG PRO 88 HG2 PRO 88 8.431 17.541 -8.080 691 2HG PRO 88 HG1 PRO 88 8.005 19.049 -8.911 692 1HD PRO 88 HD2 PRO 88 6.252 17.736 -7.339 693 2HD PRO 88 HD1 PRO 88 5.737 18.624 -8.788 694 H SER 89 HN SER 89 8.588 15.772 -8.158 695 HA SER 89 HA SER 89 9.314 13.072 -9.011 696 1HB SER 89 HB1 SER 89 11.257 13.330 -7.504 697 2HB SER 89 HB2 SER 89 11.174 14.628 -8.694 698 HG SER 89 HG SER 89 10.032 14.908 -6.129 699 H GLU 90 HN GLU 90 7.292 14.556 -6.848 700 HA GLU 90 HA GLU 90 7.544 12.498 -4.790 701 1HB GLU 90 HB2 GLU 90 5.596 13.883 -3.765 702 2HB GLU 90 HB1 GLU 90 7.225 14.545 -3.744 703 1HG GLU 90 HG1 GLU 90 6.082 15.389 -6.157 704 2HG GLU 90 HG2 GLU 90 4.843 15.608 -4.923 705 H TRP 91 HN TRP 91 6.453 10.661 -4.990 706 HA TRP 91 HA TRP 91 3.782 10.744 -6.220 707 1HB TRP 91 HB2 TRP 91 5.782 8.523 -6.686 708 2HB TRP 91 HB1 TRP 91 4.199 8.702 -7.434 709 HD1 TRP 91 HD1 TRP 91 4.240 11.558 -8.567 710 HE1 TRP 91 HE1 TRP 91 5.884 12.252 -10.420 711 HE3 TRP 91 HE3 TRP 91 7.797 7.942 -7.900 712 HZ2 TRP 91 HZ2 TRP 91 8.357 11.385 -11.462 713 HZ3 TRP 91 HZ3 TRP 91 9.771 7.948 -9.368 714 HH2 TRP 91 HH2 TRP 91 10.043 9.635 -11.112 715 H LYS 92 HN LYS 92 2.470 8.791 -5.694 716 HA LYS 92 HA LYS 92 3.191 7.675 -3.068 717 1HB LYS 92 HB1 LYS 92 1.063 9.430 -3.595 718 2HB LYS 92 HB2 LYS 92 0.329 7.840 -3.435 719 1HG LYS 92 HG1 LYS 92 1.996 7.825 -1.312 720 2HG LYS 92 HG2 LYS 92 1.612 9.546 -1.417 721 1HD LYS 92 HD1 LYS 92 -0.848 8.540 -1.713 722 2HD LYS 92 HD2 LYS 92 -0.128 7.243 -0.758 723 1HE LYS 92 HE1 LYS 92 -0.478 10.134 -0.040 724 2HE LYS 92 HE2 LYS 92 -1.048 8.707 0.824 725 1HZ LYS 92 HZ1 LYS 92 1.330 8.159 1.238 726 2HZ LYS 92 HZ2 LYS 92 0.802 9.574 1.999 727 3HZ LYS 92 HZ3 LYS 92 1.749 9.670 0.600 728 H ILE 93 HN ILE 93 3.278 5.533 -3.088 729 HA ILE 93 HA ILE 93 1.665 4.088 -5.087 730 HB ILE 93 HB ILE 93 4.434 3.312 -4.166 731 1HG1 ILE 93 HG1 ILE 93 4.619 3.824 -6.850 732 2HG1 ILE 93 HG1 ILE 93 3.487 5.068 -6.331 733 1HG2 ILE 93 HG2 ILE 93 2.512 1.678 -5.144 734 2HG2 ILE 93 HG2 ILE 93 4.243 1.414 -5.357 735 3HG2 ILE 93 HG2 ILE 93 3.304 2.187 -6.634 736 1HD1 ILE 93 HD1 ILE 93 5.377 6.218 -5.960 737 2HD1 ILE 93 HD1 ILE 93 6.355 4.763 -5.767 738 3HD1 ILE 93 HD1 ILE 93 5.357 5.337 -4.431 739 H TYR 94 HN TYR 94 0.957 2.009 -4.523 740 HA TYR 94 HA TYR 94 1.017 1.421 -1.641 741 1HB TYR 94 HB1 TYR 94 -1.244 1.059 -3.615 742 2HB TYR 94 HB2 TYR 94 -1.220 0.291 -2.034 743 HD1 TYR 94 HD1 TYR 94 -2.516 1.316 -0.446 744 HD2 TYR 94 HD2 TYR 94 -0.627 3.735 -3.393 745 HE1 TYR 94 HE1 TYR 94 -3.532 3.319 0.555 746 HE2 TYR 94 HE2 TYR 94 -1.637 5.745 -2.399 747 HH TYR 94 HH TYR 94 -2.567 6.485 -0.282 748 H ILE 95 HN ILE 95 1.665 -0.523 -1.058 749 HA ILE 95 HA ILE 95 2.077 -2.591 -3.121 750 HB ILE 95 HB ILE 95 3.802 -1.700 -0.820 751 1HG1 ILE 95 HG1 ILE 95 4.172 -0.676 -3.026 752 2HG1 ILE 95 HG1 ILE 95 5.555 -1.640 -2.522 753 1HG2 ILE 95 HG2 ILE 95 4.633 -3.713 -0.419 754 2HG2 ILE 95 HG2 ILE 95 4.883 -4.016 -2.138 755 3HG2 ILE 95 HG2 ILE 95 3.327 -4.384 -1.395 756 1HD1 ILE 95 HD1 ILE 95 5.262 -2.114 -4.788 757 2HD1 ILE 95 HD1 ILE 95 3.514 -2.269 -4.620 758 3HD1 ILE 95 HD1 ILE 95 4.578 -3.501 -3.942 759 H LYS 96 HN LYS 96 1.451 -4.708 -2.590 760 HA LYS 96 HA LYS 96 0.422 -5.131 0.125 761 1HB LYS 96 HB2 LYS 96 -1.543 -4.351 -0.893 762 2HB LYS 96 HB1 LYS 96 -1.232 -5.238 -2.378 763 1HG LYS 96 HG1 LYS 96 -1.391 -7.268 -0.596 764 2HG LYS 96 HG2 LYS 96 -2.515 -6.104 0.108 765 1HD LYS 96 HD2 LYS 96 -4.039 -6.766 -1.354 766 2HD LYS 96 HD1 LYS 96 -3.031 -6.113 -2.647 767 1HE LYS 96 HE2 LYS 96 -3.083 -8.239 -3.398 768 2HE LYS 96 HE1 LYS 96 -1.795 -8.468 -2.216 769 1HZ LYS 96 HZ1 LYS 96 -4.064 -8.805 -0.762 770 2HZ LYS 96 HZ2 LYS 96 -3.097 -10.049 -1.378 771 3HZ LYS 96 HZ3 LYS 96 -4.457 -9.530 -2.240 772 H VAL 97 HN VAL 97 1.055 -7.008 0.871 773 HA VAL 97 HA VAL 97 2.160 -9.032 -0.853 774 HB VAL 97 HB VAL 97 1.605 -9.341 2.091 775 1HG1 VAL 97 HG2 VAL 97 3.986 -10.428 0.670 776 2HG1 VAL 97 HG2 VAL 97 2.425 -11.219 0.446 777 3HG1 VAL 97 HG2 VAL 97 3.112 -11.067 2.064 778 1HG2 VAL 97 HG1 VAL 97 4.295 -8.466 1.328 779 2HG2 VAL 97 HG1 VAL 97 3.287 -7.984 2.693 780 3HG2 VAL 97 HG1 VAL 97 3.039 -7.247 1.109 781 H LYS 98 HN LYS 98 0.979 -10.525 -1.847 782 HA LYS 98 HA LYS 98 -1.742 -11.050 -0.966 783 1HB LYS 98 HB2 LYS 98 -0.943 -10.684 -3.413 784 2HB LYS 98 HB1 LYS 98 -0.424 -12.362 -3.323 785 1HG LYS 98 HG1 LYS 98 -2.495 -13.118 -3.588 786 2HG LYS 98 HG2 LYS 98 -3.140 -12.007 -2.377 787 1HD LYS 98 HD2 LYS 98 -3.366 -10.262 -3.969 788 2HD LYS 98 HD1 LYS 98 -2.430 -11.150 -5.174 789 1HE LYS 98 HE2 LYS 98 -4.188 -12.409 -5.803 790 2HE LYS 98 HE1 LYS 98 -4.809 -12.545 -4.160 791 1HZ LYS 98 HZ1 LYS 98 -5.202 -10.324 -6.075 792 2HZ LYS 98 HZ2 LYS 98 -5.523 -10.155 -4.423 793 3HZ LYS 98 HZ3 LYS 98 -6.380 -11.291 -5.339 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -26.910 14.131 40.542 2 2H GLY 1 HT2 GLY 1 -25.821 15.284 41.133 3 3H GLY 1 HT3 GLY 1 -26.220 13.938 42.075 4 1HA GLY 1 HA2 GLY 1 -24.345 14.176 39.870 5 2HA GLY 1 HA1 GLY 1 -24.278 13.145 41.292 6 H SER 2 HN SER 2 -24.686 13.185 38.001 7 HA SER 2 HA SER 2 -26.597 11.137 37.617 8 1HB SER 2 HB1 SER 2 -24.342 11.485 35.687 9 2HB SER 2 HB2 SER 2 -26.063 11.270 35.373 10 HG SER 2 HG SER 2 -26.045 13.350 35.100 11 H SER 3 HN SER 3 -26.422 8.954 37.529 12 HA SER 3 HA SER 3 -23.826 7.814 38.319 13 1HB SER 3 HB2 SER 3 -25.350 5.822 39.004 14 2HB SER 3 HB1 SER 3 -25.331 7.260 40.025 15 HG SER 3 HG SER 3 -27.341 7.643 39.522 16 H HIS 4 HN HIS 4 -23.251 5.724 37.443 17 HA HIS 4 HA HIS 4 -23.559 5.602 34.638 18 1HB HIS 4 HB2 HIS 4 -22.506 3.245 35.016 19 2HB HIS 4 HB1 HIS 4 -21.554 4.683 35.372 20 HD2 HIS 4 HD2 HIS 4 -20.405 4.629 37.780 21 HE1 HIS 4 HE1 HIS 4 -22.995 1.800 39.569 22 HE2 HIS 4 HE2 HIS 4 -20.921 3.222 39.898 23 H HIS 5 HN HIS 5 -25.136 4.773 33.451 24 HA HIS 5 HA HIS 5 -26.769 2.599 34.565 25 1HB HIS 5 HB1 HIS 5 -27.752 5.099 34.485 26 2HB HIS 5 HB2 HIS 5 -28.149 4.591 32.847 27 HD2 HIS 5 HD2 HIS 5 -29.563 4.389 36.327 28 HE1 HIS 5 HE1 HIS 5 -31.484 1.377 34.055 29 HE2 HIS 5 HE2 HIS 5 -31.516 2.683 36.230 30 H HIS 6 HN HIS 6 -24.614 3.231 32.357 31 HA HIS 6 HA HIS 6 -25.954 1.629 30.280 32 1HB HIS 6 HB1 HIS 6 -23.861 3.111 29.069 33 2HB HIS 6 HB2 HIS 6 -25.591 3.247 28.781 34 HD2 HIS 6 HD2 HIS 6 -26.880 5.345 30.115 35 HE1 HIS 6 HE1 HIS 6 -23.274 7.191 31.341 36 HE2 HIS 6 HE2 HIS 6 -25.787 7.468 31.130 37 H HIS 7 HN HIS 7 -25.103 -0.342 30.524 38 HA HIS 7 HA HIS 7 -22.386 -0.749 31.367 39 1HB HIS 7 HB1 HIS 7 -24.777 -2.345 31.095 40 2HB HIS 7 HB2 HIS 7 -23.405 -3.172 30.367 41 HD2 HIS 7 HD2 HIS 7 -21.063 -2.804 32.386 42 HE1 HIS 7 HE1 HIS 7 -23.829 -3.839 35.419 43 HE2 HIS 7 HE2 HIS 7 -21.372 -3.610 34.834 44 H HIS 8 HN HIS 8 -24.163 -0.867 28.346 45 HA HIS 8 HA HIS 8 -21.888 -1.907 26.880 46 1HB HIS 8 HB2 HIS 8 -24.618 -0.979 25.966 47 2HB HIS 8 HB1 HIS 8 -23.392 -1.662 24.902 48 HD2 HIS 8 HD2 HIS 8 -23.284 -4.371 24.809 49 HE1 HIS 8 HE1 HIS 8 -26.084 -5.062 27.907 50 HE2 HIS 8 HE2 HIS 8 -24.688 -6.141 26.084 51 H HIS 9 HN HIS 9 -20.352 -0.697 26.001 52 HA HIS 9 HA HIS 9 -20.803 2.196 25.782 53 1HB HIS 9 HB1 HIS 9 -18.444 0.507 26.389 54 2HB HIS 9 HB2 HIS 9 -18.139 1.942 25.418 55 HD2 HIS 9 HD2 HIS 9 -17.169 3.751 27.130 56 HE1 HIS 9 HE1 HIS 9 -19.965 3.115 30.243 57 HE2 HIS 9 HE2 HIS 9 -17.994 4.512 29.470 58 H SER 10 HN SER 10 -22.059 1.354 23.778 59 HA SER 10 HA SER 10 -20.377 0.759 21.493 60 1HB SER 10 HB1 SER 10 -22.690 0.962 20.303 61 2HB SER 10 HB2 SER 10 -22.396 -0.411 21.369 62 HG SER 10 HG SER 10 -23.334 1.581 22.845 63 H SER 11 HN SER 11 -19.801 3.238 22.690 64 HA SER 11 HA SER 11 -21.079 5.414 21.428 65 1HB SER 11 HB2 SER 11 -18.584 5.012 22.994 66 2HB SER 11 HB1 SER 11 -18.667 6.458 21.989 67 HG SER 11 HG SER 11 -19.763 6.077 24.353 68 H GLY 12 HN GLY 12 -17.714 4.373 20.862 69 1HA GLY 12 HA1 GLY 12 -17.572 5.652 18.334 70 2HA GLY 12 HA2 GLY 12 -16.408 4.502 18.974 71 H LEU 13 HN LEU 13 -18.765 5.043 16.648 72 HA LEU 13 HA LEU 13 -19.598 2.326 16.250 73 1HB LEU 13 HB1 LEU 13 -20.361 4.876 15.296 74 2HB LEU 13 HB2 LEU 13 -19.902 3.932 13.892 75 HG LEU 13 HG LEU 13 -21.815 2.824 15.923 76 1HD1 LEU 13 HD1 LEU 13 -22.634 4.418 13.507 77 2HD1 LEU 13 HD1 LEU 13 -22.581 5.084 15.139 78 3HD1 LEU 13 HD1 LEU 13 -23.670 3.747 14.766 79 1HD2 LEU 13 HD2 LEU 13 -21.443 2.344 12.970 80 2HD2 LEU 13 HD2 LEU 13 -22.587 1.514 14.025 81 3HD2 LEU 13 HD2 LEU 13 -20.852 1.302 14.265 82 H VAL 14 HN VAL 14 -18.655 0.781 15.071 83 HA VAL 14 HA VAL 14 -16.026 1.165 14.043 84 HB VAL 14 HB VAL 14 -16.350 -1.196 13.145 85 1HG1 VAL 14 HG1 VAL 14 -15.217 -1.469 15.050 86 2HG1 VAL 14 HG1 VAL 14 -16.767 -1.902 15.771 87 3HG1 VAL 14 HG1 VAL 14 -16.171 -0.247 15.891 88 1HG2 VAL 14 HG2 VAL 14 -18.968 -0.745 13.337 89 2HG2 VAL 14 HG2 VAL 14 -18.702 -1.461 14.927 90 3HG2 VAL 14 HG2 VAL 14 -18.273 -2.360 13.471 91 HA PRO 15 HA PRO 15 -17.331 2.282 9.925 92 1HB PRO 15 HB1 PRO 15 -14.700 2.695 9.063 93 2HB PRO 15 HB2 PRO 15 -15.751 3.899 9.807 94 1HG PRO 15 HG1 PRO 15 -13.385 2.794 10.896 95 2HG PRO 15 HG2 PRO 15 -14.543 3.855 11.713 96 1HD PRO 15 HD2 PRO 15 -14.245 0.909 11.868 97 2HD PRO 15 HD1 PRO 15 -14.867 2.051 13.077 98 H ARG 16 HN ARG 16 -16.238 -0.572 10.810 99 HA ARG 16 HA ARG 16 -15.106 -1.535 8.338 100 1HB ARG 16 HB2 ARG 16 -14.797 -2.345 10.868 101 2HB ARG 16 HB1 ARG 16 -16.107 -3.423 10.405 102 1HG ARG 16 HG2 ARG 16 -14.436 -3.728 8.299 103 2HG ARG 16 HG1 ARG 16 -13.286 -3.422 9.602 104 1HD ARG 16 HD2 ARG 16 -13.485 -5.673 9.839 105 2HD ARG 16 HD1 ARG 16 -14.834 -5.175 10.858 106 HE ARG 16 HE ARG 16 -15.497 -5.637 8.083 107 1HH1 ARG 16 HH1 ARG 16 -15.267 -6.994 11.285 108 2HH1 ARG 16 HH1 ARG 16 -16.383 -8.278 10.961 109 1HH2 ARG 16 HH2 ARG 16 -16.967 -7.325 7.649 110 2HH2 ARG 16 HH2 ARG 16 -17.349 -8.466 8.894 111 H GLY 17 HN GLY 17 -17.861 -0.404 8.320 112 1HA GLY 17 HA2 GLY 17 -19.722 -2.534 8.021 113 2HA GLY 17 HA1 GLY 17 -19.939 -0.883 7.459 114 H SER 18 HN SER 18 -20.848 -3.075 6.009 115 HA SER 18 HA SER 18 -18.941 -3.715 3.946 116 1HB SER 18 HB1 SER 18 -21.453 -4.741 4.841 117 2HB SER 18 HB2 SER 18 -21.586 -4.370 3.121 118 HG SER 18 HG SER 18 -20.781 -6.502 3.576 119 H HIS 19 HN HIS 19 -19.711 -0.867 4.372 120 HA HIS 19 HA HIS 19 -21.285 -0.112 2.092 121 1HB HIS 19 HB2 HIS 19 -19.589 1.516 3.995 122 2HB HIS 19 HB1 HIS 19 -20.597 2.209 2.728 123 HD2 HIS 19 HD2 HIS 19 -20.841 1.011 6.330 124 HE1 HIS 19 HE1 HIS 19 -24.785 1.634 4.925 125 HE2 HIS 19 HE2 HIS 19 -23.350 1.196 6.969 126 H MET 20 HN MET 20 -18.051 1.118 2.880 127 HA MET 20 HA MET 20 -17.389 1.401 0.114 128 1HB MET 20 HB1 MET 20 -15.771 1.732 2.643 129 2HB MET 20 HB2 MET 20 -15.122 2.038 1.038 130 1HG MET 20 HG2 MET 20 -17.647 3.407 1.661 131 2HG MET 20 HG1 MET 20 -16.248 3.914 2.606 132 1HE MET 20 HE1 MET 20 -15.246 6.428 1.407 133 2HE MET 20 HE2 MET 20 -16.940 6.090 1.762 134 3HE MET 20 HE3 MET 20 -16.486 6.789 0.207 135 H ALA 21 HN ALA 21 -15.033 0.603 -0.493 136 HA ALA 21 HA ALA 21 -15.175 -2.288 -0.427 137 1HB ALA 21 HB1 ALA 21 -14.614 -0.819 -2.463 138 2HB ALA 21 HB2 ALA 21 -13.671 -2.286 -2.204 139 3HB ALA 21 HB3 ALA 21 -13.000 -0.718 -1.759 140 H LYS 22 HN LYS 22 -12.699 -3.227 -0.472 141 HA LYS 22 HA LYS 22 -11.801 -2.833 2.256 142 1HB LYS 22 HB1 LYS 22 -10.668 -4.705 0.172 143 2HB LYS 22 HB2 LYS 22 -10.437 -4.788 1.913 144 1HG LYS 22 HG1 LYS 22 -12.475 -5.720 2.281 145 2HG LYS 22 HG2 LYS 22 -13.217 -4.917 0.896 146 1HD LYS 22 HD2 LYS 22 -11.124 -6.995 0.437 147 2HD LYS 22 HD1 LYS 22 -12.767 -7.495 0.847 148 1HE LYS 22 HE2 LYS 22 -12.917 -5.470 -1.143 149 2HE LYS 22 HE1 LYS 22 -11.743 -6.677 -1.669 150 1HZ LYS 22 HZ1 LYS 22 -13.359 -8.383 -1.474 151 2HZ LYS 22 HZ2 LYS 22 -14.080 -7.126 -2.347 152 3HZ LYS 22 HZ3 LYS 22 -14.468 -7.355 -0.717 153 H TYR 23 HN TYR 23 -11.364 -0.547 0.825 154 HA TYR 23 HA TYR 23 -8.603 -0.531 -0.082 155 1HB TYR 23 HB2 TYR 23 -10.929 1.084 -0.533 156 2HB TYR 23 HB1 TYR 23 -9.633 2.109 0.076 157 HD1 TYR 23 HD1 TYR 23 -7.878 2.784 -1.330 158 HD2 TYR 23 HD2 TYR 23 -10.457 -0.365 -2.569 159 HE1 TYR 23 HE1 TYR 23 -6.864 2.842 -3.568 160 HE2 TYR 23 HE2 TYR 23 -9.450 -0.315 -4.812 161 HH TYR 23 HH TYR 23 -7.463 2.206 -5.880 162 H GLN 24 HN GLN 24 -9.043 -1.180 2.670 163 HA GLN 24 HA GLN 24 -8.115 1.207 4.096 164 1HB GLN 24 HB2 GLN 24 -9.999 -0.498 4.868 165 2HB GLN 24 HB1 GLN 24 -8.614 -1.385 5.488 166 1HG GLN 24 HG2 GLN 24 -8.199 0.124 7.116 167 2HG GLN 24 HG1 GLN 24 -8.734 1.491 6.140 168 1HE2 GLN 24 HE2 GLN 24 -11.247 0.944 5.492 169 2HE2 GLN 24 HE2 GLN 24 -12.239 0.770 6.896 170 H VAL 25 HN VAL 25 -6.008 1.499 4.297 171 HA VAL 25 HA VAL 25 -4.145 -0.652 3.828 172 HB VAL 25 HB VAL 25 -3.594 2.210 4.622 173 1HG1 VAL 25 HG2 VAL 25 -1.469 1.596 4.802 174 2HG1 VAL 25 HG2 VAL 25 -1.491 1.085 3.113 175 3HG1 VAL 25 HG2 VAL 25 -1.887 -0.067 4.389 176 1HG2 VAL 25 HG1 VAL 25 -3.927 0.878 1.952 177 2HG2 VAL 25 HG1 VAL 25 -2.975 2.351 2.136 178 3HG2 VAL 25 HG1 VAL 25 -4.687 2.350 2.559 179 H THR 26 HN THR 26 -2.729 -1.559 5.282 180 HA THR 26 HA THR 26 -3.472 -1.256 8.094 181 HB THR 26 HB THR 26 -1.553 -3.370 7.405 182 HG1 THR 26 HG1 THR 26 -2.955 -4.579 6.202 183 1HG2 THR 26 HG2 THR 26 -3.659 -4.661 8.407 184 2HG2 THR 26 HG2 THR 26 -3.963 -3.053 9.063 185 3HG2 THR 26 HG2 THR 26 -2.440 -3.872 9.407 186 H LYS 27 HN LYS 27 -0.543 -1.441 6.059 187 HA LYS 27 HA LYS 27 0.882 0.015 8.192 188 1HB LYS 27 HB2 LYS 27 1.496 -2.495 7.349 189 2HB LYS 27 HB1 LYS 27 2.502 -1.536 6.271 190 1HG LYS 27 HG2 LYS 27 2.807 -0.478 8.875 191 2HG LYS 27 HG1 LYS 27 2.952 -2.234 8.989 192 1HD LYS 27 HD2 LYS 27 4.438 -1.741 6.776 193 2HD LYS 27 HD1 LYS 27 4.723 -0.268 7.705 194 1HE LYS 27 HE1 LYS 27 6.352 -1.502 8.655 195 2HE LYS 27 HE2 LYS 27 5.022 -2.109 9.644 196 1HZ LYS 27 HZ1 LYS 27 6.654 -3.712 8.360 197 2HZ LYS 27 HZ2 LYS 27 5.539 -3.468 7.112 198 3HZ LYS 27 HZ3 LYS 27 5.024 -4.101 8.594 199 H THR 28 HN THR 28 1.764 1.908 7.657 200 HA THR 28 HA THR 28 1.959 2.580 4.793 201 HB THR 28 HB THR 28 1.282 4.385 7.124 202 HG1 THR 28 HG1 THR 28 -0.344 2.911 6.089 203 1HG2 THR 28 HG2 THR 28 2.140 5.020 4.395 204 2HG2 THR 28 HG2 THR 28 2.179 5.997 5.863 205 3HG2 THR 28 HG2 THR 28 0.680 5.843 4.946 206 H LEU 29 HN LEU 29 3.964 2.899 4.102 207 HA LEU 29 HA LEU 29 6.057 3.482 6.065 208 1HB LEU 29 HB1 LEU 29 6.256 1.525 4.494 209 2HB LEU 29 HB2 LEU 29 6.391 2.676 3.178 210 HG LEU 29 HG LEU 29 8.285 3.047 5.419 211 1HD1 LEU 29 HD1 LEU 29 7.979 0.490 4.787 212 2HD1 LEU 29 HD1 LEU 29 9.565 1.191 5.116 213 3HD1 LEU 29 HD1 LEU 29 9.031 0.959 3.451 214 1HD2 LEU 29 HD2 LEU 29 8.345 3.233 2.428 215 2HD2 LEU 29 HD2 LEU 29 9.816 3.308 3.398 216 3HD2 LEU 29 HD2 LEU 29 8.550 4.516 3.620 217 H ASP 30 HN ASP 30 6.639 5.511 6.318 218 HA ASP 30 HA ASP 30 6.545 7.324 3.996 219 1HB ASP 30 HB1 ASP 30 4.926 7.919 5.782 220 2HB ASP 30 HB2 ASP 30 6.263 8.055 6.921 221 H VAL 31 HN VAL 31 8.511 7.796 3.267 222 HA VAL 31 HA VAL 31 10.649 8.310 5.195 223 HB VAL 31 HB VAL 31 10.999 6.004 4.596 224 1HG1 VAL 31 HG1 VAL 31 10.109 5.415 2.614 225 2HG1 VAL 31 HG1 VAL 31 11.726 5.783 2.014 226 3HG1 VAL 31 HG1 VAL 31 10.441 6.983 1.876 227 1HG2 VAL 31 HG2 VAL 31 13.238 6.183 4.295 228 2HG2 VAL 31 HG2 VAL 31 12.874 7.881 4.606 229 3HG2 VAL 31 HG2 VAL 31 13.081 7.311 2.949 230 H ARG 32 HN ARG 32 10.046 10.489 4.540 231 HA ARG 32 HA ARG 32 10.365 11.451 1.912 232 1HB ARG 32 HB1 ARG 32 9.511 12.509 4.308 233 2HB ARG 32 HB2 ARG 32 11.015 13.374 4.024 234 1HG ARG 32 HG1 ARG 32 10.239 14.303 2.024 235 2HG ARG 32 HG2 ARG 32 8.908 13.151 1.905 236 1HD ARG 32 HD1 ARG 32 7.591 14.318 3.323 237 2HD ARG 32 HD2 ARG 32 8.947 14.836 4.324 238 HE ARG 32 HE ARG 32 9.250 16.215 1.986 239 1HH1 ARG 32 HH1 ARG 32 6.705 15.884 4.344 240 2HH1 ARG 32 HH1 ARG 32 6.076 17.475 4.077 241 1HH2 ARG 32 HH2 ARG 32 8.428 18.311 1.628 242 2HH2 ARG 32 HH2 ARG 32 7.054 18.855 2.533 243 H GLY 33 HN GLY 33 12.086 13.650 2.183 244 1HA GLY 33 HA2 GLY 33 14.541 12.524 1.408 245 2HA GLY 33 HA1 GLY 33 14.274 14.218 1.794 246 H GLU 34 HN GLU 34 15.249 11.101 3.041 247 HA GLU 34 HA GLU 34 16.215 12.423 5.488 248 1HB GLU 34 HB2 GLU 34 16.055 10.348 6.636 249 2HB GLU 34 HB1 GLU 34 14.552 10.541 5.747 250 1HG GLU 34 HG2 GLU 34 15.096 8.889 4.215 251 2HG GLU 34 HG1 GLU 34 16.820 8.987 4.575 252 H VAL 35 HN VAL 35 17.977 10.307 6.243 253 HA VAL 35 HA VAL 35 20.044 10.556 4.164 254 HB VAL 35 HB VAL 35 21.215 10.146 6.723 255 1HG1 VAL 35 HG2 VAL 35 21.383 12.117 4.499 256 2HG1 VAL 35 HG2 VAL 35 22.615 11.025 5.131 257 3HG1 VAL 35 HG2 VAL 35 22.180 12.478 6.030 258 1HG2 VAL 35 HG1 VAL 35 20.646 12.391 7.675 259 2HG2 VAL 35 HG1 VAL 35 19.332 11.214 7.724 260 3HG2 VAL 35 HG1 VAL 35 19.336 12.481 6.497 261 H CYS 36 HN CYS 36 21.369 8.828 3.752 262 HA CYS 36 HA CYS 36 20.345 6.232 4.495 263 1HB CYS 36 HB1 CYS 36 22.398 5.524 3.042 264 2HB CYS 36 HB2 CYS 36 21.012 6.280 2.262 265 HG CYS 36 HG CYS 36 22.978 7.541 1.310 266 HA PRO 37 HA PRO 37 21.463 4.248 4.118 267 1HB PRO 37 HB2 PRO 37 22.182 1.968 5.279 268 2HB PRO 37 HB1 PRO 37 23.373 2.950 4.419 269 1HG PRO 37 HG1 PRO 37 22.929 2.640 7.351 270 2HG PRO 37 HG2 PRO 37 24.445 2.859 6.461 271 1HD PRO 37 HD1 PRO 37 22.970 4.862 7.794 272 2HD PRO 37 HD2 PRO 37 24.323 5.112 6.675 273 H VAL 38 HN VAL 38 20.182 5.586 6.496 274 HA VAL 38 HA VAL 38 18.796 3.796 8.103 275 HB VAL 38 HB VAL 38 17.734 6.438 7.102 276 1HG1 VAL 38 HG2 VAL 38 16.674 6.348 9.455 277 2HG1 VAL 38 HG2 VAL 38 16.990 4.615 9.360 278 3HG1 VAL 38 HG2 VAL 38 15.951 5.389 8.163 279 1HG2 VAL 38 HG1 VAL 38 18.702 6.965 9.562 280 2HG2 VAL 38 HG1 VAL 38 19.615 7.220 8.074 281 3HG2 VAL 38 HG1 VAL 38 19.863 5.753 9.020 282 HA PRO 39 HA PRO 39 15.212 3.799 4.814 283 1HB PRO 39 HB2 PRO 39 15.946 4.307 2.241 284 2HB PRO 39 HB1 PRO 39 15.343 5.551 3.341 285 1HG PRO 39 HG2 PRO 39 18.168 4.880 2.603 286 2HG PRO 39 HG1 PRO 39 17.402 6.472 2.757 287 1HD PRO 39 HD2 PRO 39 18.964 5.446 4.697 288 2HD PRO 39 HD1 PRO 39 17.552 6.459 5.065 289 H ASP 40 HN ASP 40 18.477 2.831 3.982 290 HA ASP 40 HA ASP 40 17.901 0.708 2.250 291 1HB ASP 40 HB1 ASP 40 20.184 1.842 3.104 292 2HB ASP 40 HB2 ASP 40 20.194 0.399 4.115 293 H VAL 41 HN VAL 41 18.767 0.489 5.706 294 HA VAL 41 HA VAL 41 17.920 -2.221 5.923 295 HB VAL 41 HB VAL 41 18.228 -0.355 8.261 296 1HG1 VAL 41 HG2 VAL 41 19.391 -2.726 8.911 297 2HG1 VAL 41 HG2 VAL 41 18.098 -3.252 7.832 298 3HG1 VAL 41 HG2 VAL 41 17.717 -2.297 9.264 299 1HG2 VAL 41 HG1 VAL 41 20.235 -1.078 6.295 300 2HG2 VAL 41 HG1 VAL 41 20.680 -1.591 7.923 301 3HG2 VAL 41 HG1 VAL 41 20.308 0.104 7.602 302 H GLU 42 HN GLU 42 16.282 0.777 6.036 303 HA GLU 42 HA GLU 42 14.163 0.168 7.780 304 1HB GLU 42 HB2 GLU 42 14.700 2.443 6.921 305 2HB GLU 42 HB1 GLU 42 14.086 1.961 5.346 306 1HG GLU 42 HG2 GLU 42 11.892 1.881 6.082 307 2HG GLU 42 HG1 GLU 42 12.362 1.740 7.775 308 H THR 43 HN THR 43 14.143 0.151 4.207 309 HA THR 43 HA THR 43 11.675 -1.230 4.033 310 HB THR 43 HB THR 43 12.466 0.170 2.207 311 HG1 THR 43 HG1 THR 43 11.123 -1.589 1.659 312 1HG2 THR 43 HG2 THR 43 14.248 -1.097 0.702 313 2HG2 THR 43 HG2 THR 43 14.820 -1.604 2.292 314 3HG2 THR 43 HG2 THR 43 14.698 0.112 1.904 315 H LYS 44 HN LYS 44 14.931 -2.261 4.490 316 HA LYS 44 HA LYS 44 14.791 -4.867 3.448 317 1HB LYS 44 HB2 LYS 44 16.926 -3.978 4.010 318 2HB LYS 44 HB1 LYS 44 16.441 -3.672 5.672 319 1HG LYS 44 HG1 LYS 44 17.606 -5.567 6.034 320 2HG LYS 44 HG2 LYS 44 16.069 -6.319 5.596 321 1HD LYS 44 HD2 LYS 44 17.247 -7.440 4.059 322 2HD LYS 44 HD1 LYS 44 17.262 -5.924 3.156 323 1HE LYS 44 HE1 LYS 44 19.339 -6.316 5.240 324 2HE LYS 44 HE2 LYS 44 19.490 -7.240 3.745 325 1HZ LYS 44 HZ1 LYS 44 19.649 -5.300 2.481 326 2HZ LYS 44 HZ2 LYS 44 20.616 -4.988 3.833 327 3HZ LYS 44 HZ3 LYS 44 19.068 -4.314 3.727 328 H ARG 45 HN ARG 45 14.048 -3.575 6.660 329 HA ARG 45 HA ARG 45 13.364 -6.069 7.821 330 1HB ARG 45 HB1 ARG 45 14.000 -3.982 9.057 331 2HB ARG 45 HB2 ARG 45 12.411 -3.338 8.672 332 1HG ARG 45 HG2 ARG 45 12.431 -5.995 9.937 333 2HG ARG 45 HG1 ARG 45 12.997 -4.658 10.943 334 1HD ARG 45 HD2 ARG 45 10.739 -3.642 9.725 335 2HD ARG 45 HD1 ARG 45 10.308 -5.319 10.055 336 HE ARG 45 HE ARG 45 10.919 -3.251 12.022 337 1HH1 ARG 45 HH2 ARG 45 10.130 -6.575 11.334 338 2HH1 ARG 45 HH2 ARG 45 9.643 -6.929 12.958 339 1HH2 ARG 45 HH1 ARG 45 10.280 -3.710 14.162 340 2HH2 ARG 45 HH1 ARG 45 9.729 -5.303 14.565 341 H ALA 46 HN ALA 46 11.525 -3.549 6.178 342 HA ALA 46 HA ALA 46 8.944 -4.515 6.745 343 1HB ALA 46 HB1 ALA 46 10.059 -2.406 5.260 344 2HB ALA 46 HB2 ALA 46 8.362 -2.672 5.656 345 3HB ALA 46 HB3 ALA 46 9.025 -3.307 4.151 346 H LEU 47 HN LEU 47 11.171 -5.176 4.074 347 HA LEU 47 HA LEU 47 9.434 -6.866 2.613 348 1HB LEU 47 HB2 LEU 47 12.399 -6.438 2.653 349 2HB LEU 47 HB1 LEU 47 11.700 -7.730 1.702 350 HG LEU 47 HG LEU 47 10.933 -6.334 0.101 351 1HD1 LEU 47 HD2 LEU 47 10.272 -3.912 0.631 352 2HD1 LEU 47 HD2 LEU 47 10.339 -4.410 2.321 353 3HD1 LEU 47 HD2 LEU 47 9.222 -5.204 1.211 354 1HD2 LEU 47 HD1 LEU 47 13.257 -5.126 1.416 355 2HD2 LEU 47 HD1 LEU 47 12.365 -4.045 0.347 356 3HD2 LEU 47 HD1 LEU 47 13.005 -5.568 -0.273 357 H GLN 48 HN GLN 48 11.685 -7.424 5.238 358 HA GLN 48 HA GLN 48 11.539 -10.294 5.023 359 1HB GLN 48 HB1 GLN 48 13.059 -8.339 6.569 360 2HB GLN 48 HB2 GLN 48 12.556 -9.720 7.534 361 1HG GLN 48 HG1 GLN 48 13.581 -11.226 5.904 362 2HG GLN 48 HG2 GLN 48 14.105 -9.834 4.957 363 1HE2 GLN 48 HE2 GLN 48 16.274 -10.275 5.153 364 2HE2 GLN 48 HE2 GLN 48 17.137 -10.115 6.641 365 H ASN 49 HN ASN 49 9.464 -7.971 6.175 366 HA ASN 49 HA ASN 49 8.162 -9.933 7.933 367 1HB ASN 49 HB2 ASN 49 9.359 -7.688 8.897 368 2HB ASN 49 HB1 ASN 49 7.727 -7.092 8.612 369 1HD2 ASN 49 HD2 ASN 49 8.085 -6.899 11.045 370 2HD2 ASN 49 HD2 ASN 49 7.524 -8.227 11.995 371 H MET 50 HN MET 50 7.408 -9.889 5.372 372 HA MET 50 HA MET 50 5.065 -8.139 5.178 373 1HB MET 50 HB2 MET 50 6.053 -9.991 3.019 374 2HB MET 50 HB1 MET 50 5.044 -8.561 2.857 375 1HG MET 50 HG1 MET 50 6.895 -7.138 3.408 376 2HG MET 50 HG2 MET 50 7.931 -8.539 3.664 377 1HE MET 50 HE1 MET 50 7.851 -5.857 0.756 378 2HE MET 50 HE2 MET 50 6.343 -6.103 1.637 379 3HE MET 50 HE3 MET 50 6.456 -6.560 -0.063 380 H LYS 51 HN LYS 51 3.293 -8.960 6.083 381 HA LYS 51 HA LYS 51 2.860 -11.774 6.374 382 1HB LYS 51 HB2 LYS 51 1.989 -9.691 7.789 383 2HB LYS 51 HB1 LYS 51 0.624 -9.825 6.690 384 1HG LYS 51 HG1 LYS 51 -0.100 -11.763 7.603 385 2HG LYS 51 HG2 LYS 51 1.531 -12.321 7.983 386 1HD LYS 51 HD2 LYS 51 0.542 -9.957 9.466 387 2HD LYS 51 HD1 LYS 51 -0.200 -11.512 9.853 388 1HE LYS 51 HE2 LYS 51 2.713 -11.615 9.649 389 2HE LYS 51 HE1 LYS 51 2.129 -10.547 10.925 390 1HZ LYS 51 HZ1 LYS 51 1.830 -12.345 12.157 391 2HZ LYS 51 HZ2 LYS 51 2.202 -13.376 10.869 392 3HZ LYS 51 HZ3 LYS 51 0.612 -12.847 11.097 393 HA PRO 52 HA PRO 52 1.162 -12.941 2.475 394 1HB PRO 52 HB2 PRO 52 -0.942 -14.170 4.217 395 2HB PRO 52 HB1 PRO 52 -0.086 -14.862 2.833 396 1HG PRO 52 HG1 PRO 52 0.621 -15.494 5.323 397 2HG PRO 52 HG2 PRO 52 1.842 -15.261 4.060 398 1HD PRO 52 HD2 PRO 52 1.140 -13.517 6.353 399 2HD PRO 52 HD1 PRO 52 2.682 -13.689 5.494 400 H GLY 53 HN GLY 53 -1.134 -11.803 4.952 401 1HA GLY 53 HA1 GLY 53 -2.793 -10.657 2.804 402 2HA GLY 53 HA2 GLY 53 -3.338 -10.991 4.440 403 H GLU 54 HN GLU 54 -0.533 -9.182 3.159 404 HA GLU 54 HA GLU 54 -1.128 -7.072 5.065 405 1HB GLU 54 HB2 GLU 54 1.243 -7.949 3.575 406 2HB GLU 54 HB1 GLU 54 1.081 -6.202 3.723 407 1HG GLU 54 HG2 GLU 54 0.789 -6.534 6.186 408 2HG GLU 54 HG1 GLU 54 1.219 -8.226 5.939 409 H ILE 55 HN ILE 55 -1.306 -4.907 4.558 410 HA ILE 55 HA ILE 55 -1.927 -4.189 1.775 411 HB ILE 55 HB ILE 55 -3.581 -3.386 4.182 412 1HG1 ILE 55 HG1 ILE 55 -5.201 -4.687 2.315 413 2HG1 ILE 55 HG1 ILE 55 -3.735 -5.661 2.377 414 1HG2 ILE 55 HG2 ILE 55 -3.293 -2.275 1.551 415 2HG2 ILE 55 HG2 ILE 55 -4.216 -1.673 2.927 416 3HG2 ILE 55 HG2 ILE 55 -4.947 -2.830 1.815 417 1HD1 ILE 55 HD1 ILE 55 -5.395 -4.874 4.757 418 2HD1 ILE 55 HD1 ILE 55 -3.973 -5.917 4.769 419 3HD1 ILE 55 HD1 ILE 55 -5.441 -6.438 3.943 420 H LEU 56 HN LEU 56 -0.231 -2.761 1.383 421 HA LEU 56 HA LEU 56 0.235 -0.723 3.453 422 1HB LEU 56 HB1 LEU 56 2.556 -1.391 1.804 423 2HB LEU 56 HB2 LEU 56 2.434 -1.135 3.533 424 HG LEU 56 HG LEU 56 1.502 -3.682 2.243 425 1HD1 LEU 56 HD1 LEU 56 4.258 -2.830 3.016 426 2HD1 LEU 56 HD1 LEU 56 3.723 -3.767 1.622 427 3HD1 LEU 56 HD1 LEU 56 3.771 -4.512 3.220 428 1HD2 LEU 56 HD2 LEU 56 1.993 -2.696 5.009 429 2HD2 LEU 56 HD2 LEU 56 2.196 -4.413 4.653 430 3HD2 LEU 56 HD2 LEU 56 0.641 -3.629 4.364 431 H GLU 57 HN GLU 57 1.161 1.240 2.812 432 HA GLU 57 HA GLU 57 1.041 1.909 -0.034 433 1HB GLU 57 HB2 GLU 57 -0.230 3.887 0.305 434 2HB GLU 57 HB1 GLU 57 -1.102 2.605 1.132 435 1HG GLU 57 HG1 GLU 57 0.035 3.363 3.251 436 2HG GLU 57 HG2 GLU 57 0.582 4.774 2.344 437 H VAL 58 HN VAL 58 2.692 3.250 -0.668 438 HA VAL 58 HA VAL 58 4.527 4.094 1.475 439 HB VAL 58 HB VAL 58 5.636 3.894 -1.240 440 1HG1 VAL 58 HG2 VAL 58 6.684 4.181 1.202 441 2HG1 VAL 58 HG2 VAL 58 7.555 3.424 -0.132 442 3HG1 VAL 58 HG2 VAL 58 6.746 2.424 1.073 443 1HG2 VAL 58 HG1 VAL 58 4.351 1.561 0.095 444 2HG2 VAL 58 HG1 VAL 58 5.873 1.319 -0.762 445 3HG2 VAL 58 HG1 VAL 58 4.471 1.956 -1.620 446 H TRP 59 HN TRP 59 5.361 6.105 1.518 447 HA TRP 59 HA TRP 59 4.500 7.988 -0.583 448 1HB TRP 59 HB2 TRP 59 3.381 8.160 1.754 449 2HB TRP 59 HB1 TRP 59 4.927 8.814 2.282 450 HD1 TRP 59 HD1 TRP 59 4.564 10.082 -1.088 451 HE1 TRP 59 HE1 TRP 59 3.559 12.451 -1.111 452 HE3 TRP 59 HE3 TRP 59 2.792 10.261 3.706 453 HZ2 TRP 59 HZ2 TRP 59 2.197 14.168 0.665 454 HZ3 TRP 59 HZ3 TRP 59 1.650 12.306 4.464 455 HH2 TRP 59 HH2 TRP 59 1.359 14.217 2.973 456 H ILE 60 HN ILE 60 6.363 8.122 -1.743 457 HA ILE 60 HA ILE 60 8.649 9.371 -0.427 458 HB ILE 60 HB ILE 60 9.559 7.340 -2.307 459 1HG1 ILE 60 HG1 ILE 60 8.884 6.088 0.282 460 2HG1 ILE 60 HG1 ILE 60 7.519 6.381 -0.792 461 1HG2 ILE 60 HG2 ILE 60 10.396 8.660 0.131 462 2HG2 ILE 60 HG2 ILE 60 11.362 7.974 -1.176 463 3HG2 ILE 60 HG2 ILE 60 10.784 6.939 0.130 464 1HD1 ILE 60 HD1 ILE 60 9.323 5.273 -2.494 465 2HD1 ILE 60 HD1 ILE 60 8.048 4.394 -1.651 466 3HD1 ILE 60 HD1 ILE 60 9.681 4.431 -0.986 467 H ASP 61 HN ASP 61 10.460 9.451 -2.364 468 HA ASP 61 HA ASP 61 9.084 10.769 -4.607 469 1HB ASP 61 HB2 ASP 61 10.383 12.522 -4.062 470 2HB ASP 61 HB1 ASP 61 11.332 11.553 -2.940 471 H TYR 62 HN TYR 62 11.039 8.169 -3.668 472 HA TYR 62 HA TYR 62 11.648 7.552 -6.482 473 1HB TYR 62 HB1 TYR 62 13.400 7.618 -4.154 474 2HB TYR 62 HB2 TYR 62 13.434 6.056 -4.964 475 HD1 TYR 62 HD1 TYR 62 14.855 9.254 -4.885 476 HD2 TYR 62 HD2 TYR 62 13.670 6.203 -7.603 477 HE1 TYR 62 HE1 TYR 62 16.394 10.168 -6.572 478 HE2 TYR 62 HE2 TYR 62 15.205 7.108 -9.297 479 HH TYR 62 HH TYR 62 17.623 9.315 -8.595 480 HA PRO 63 HA PRO 63 8.872 4.129 -5.805 481 1HB PRO 63 HB2 PRO 63 10.418 2.931 -8.043 482 2HB PRO 63 HB1 PRO 63 8.675 3.161 -7.873 483 1HG PRO 63 HG2 PRO 63 10.103 4.720 -9.494 484 2HG PRO 63 HG1 PRO 63 8.773 5.384 -8.527 485 1HD PRO 63 HD2 PRO 63 11.724 5.583 -8.087 486 2HD PRO 63 HD1 PRO 63 10.457 6.799 -7.818 487 H MET 64 HN MET 64 9.707 3.385 -3.821 488 HA MET 64 HA MET 64 12.103 1.876 -3.598 489 1HB MET 64 HB1 MET 64 9.848 2.604 -1.845 490 2HB MET 64 HB2 MET 64 10.634 1.084 -1.445 491 1HG MET 64 HG1 MET 64 12.469 3.305 -1.967 492 2HG MET 64 HG2 MET 64 11.422 3.521 -0.565 493 1HE MET 64 HE1 MET 64 14.463 2.450 1.415 494 2HE MET 64 HE2 MET 64 12.834 3.064 1.696 495 3HE MET 64 HE3 MET 64 13.850 3.795 0.454 496 H SER 65 HN SER 65 9.007 1.126 -4.779 497 HA SER 65 HA SER 65 8.812 -1.596 -4.083 498 1HB SER 65 HB1 SER 65 7.021 -1.714 -5.575 499 2HB SER 65 HB2 SER 65 7.046 -0.001 -5.154 500 HG SER 65 HG SER 65 6.976 -0.755 -7.506 501 H LYS 66 HN LYS 66 11.026 -0.024 -6.054 502 HA LYS 66 HA LYS 66 11.431 -1.879 -8.124 503 1HB LYS 66 HB1 LYS 66 13.655 -0.879 -8.352 504 2HB LYS 66 HB2 LYS 66 12.425 0.359 -8.148 505 1HG LYS 66 HG1 LYS 66 13.076 0.764 -5.906 506 2HG LYS 66 HG2 LYS 66 14.107 -0.668 -5.880 507 1HD LYS 66 HD2 LYS 66 15.428 0.430 -7.749 508 2HD LYS 66 HD1 LYS 66 14.534 1.906 -7.374 509 1HE LYS 66 HE2 LYS 66 15.871 2.340 -5.656 510 2HE LYS 66 HE1 LYS 66 15.559 0.750 -4.961 511 1HZ LYS 66 HZ1 LYS 66 17.684 0.327 -5.391 512 2HZ LYS 66 HZ2 LYS 66 17.858 1.692 -6.376 513 3HZ LYS 66 HZ3 LYS 66 17.262 0.248 -7.027 514 H GLU 67 HN GLU 67 12.481 -1.810 -4.789 515 HA GLU 67 HA GLU 67 14.113 -4.212 -5.155 516 1HB GLU 67 HB1 GLU 67 14.137 -2.004 -3.317 517 2HB GLU 67 HB2 GLU 67 13.956 -3.503 -2.416 518 1HG GLU 67 HG1 GLU 67 15.940 -4.068 -4.258 519 2HG GLU 67 HG2 GLU 67 16.275 -2.411 -3.755 520 H ARG 68 HN ARG 68 11.082 -3.110 -3.884 521 HA ARG 68 HA ARG 68 10.418 -5.305 -2.264 522 1HB ARG 68 HB1 ARG 68 8.781 -3.276 -3.766 523 2HB ARG 68 HB2 ARG 68 8.009 -4.585 -2.879 524 1HG ARG 68 HG1 ARG 68 8.978 -3.827 -0.812 525 2HG ARG 68 HG2 ARG 68 9.919 -2.600 -1.664 526 1HD ARG 68 HD2 ARG 68 7.476 -1.925 -2.513 527 2HD ARG 68 HD1 ARG 68 7.043 -2.647 -0.963 528 HE ARG 68 HE ARG 68 8.472 -0.175 -1.399 529 1HH1 ARG 68 HH1 ARG 68 7.680 -2.713 0.855 530 2HH1 ARG 68 HH1 ARG 68 7.998 -1.744 2.255 531 1HH2 ARG 68 HH2 ARG 68 8.892 1.107 0.441 532 2HH2 ARG 68 HH2 ARG 68 8.687 0.425 2.020 533 H ILE 69 HN ILE 69 10.019 -4.731 -5.732 534 HA ILE 69 HA ILE 69 8.424 -6.905 -6.374 535 HB ILE 69 HB ILE 69 10.580 -5.610 -8.032 536 1HG1 ILE 69 HG1 ILE 69 7.644 -5.326 -8.514 537 2HG1 ILE 69 HG1 ILE 69 8.366 -4.423 -7.184 538 1HG2 ILE 69 HG2 ILE 69 8.426 -7.536 -8.895 539 2HG2 ILE 69 HG2 ILE 69 10.159 -7.864 -8.850 540 3HG2 ILE 69 HG2 ILE 69 9.516 -6.662 -9.970 541 1HD1 ILE 69 HD1 ILE 69 8.154 -3.396 -9.589 542 2HD1 ILE 69 HD1 ILE 69 9.661 -4.275 -9.848 543 3HD1 ILE 69 HD1 ILE 69 9.556 -3.064 -8.570 544 HA PRO 70 HA PRO 70 12.636 -9.438 -7.242 545 1HB PRO 70 HB1 PRO 70 14.061 -8.135 -4.958 546 2HB PRO 70 HB2 PRO 70 14.721 -8.837 -6.439 547 1HG PRO 70 HG1 PRO 70 14.488 -6.197 -6.172 548 2HG PRO 70 HG2 PRO 70 14.155 -6.990 -7.723 549 1HD PRO 70 HD2 PRO 70 12.267 -5.825 -5.748 550 2HD PRO 70 HD1 PRO 70 12.116 -5.964 -7.508 551 H GLU 71 HN GLU 71 11.723 -8.265 -4.003 552 HA GLU 71 HA GLU 71 12.107 -10.783 -2.737 553 1HB GLU 71 HB1 GLU 71 11.071 -8.136 -1.992 554 2HB GLU 71 HB2 GLU 71 10.344 -9.471 -1.109 555 1HG GLU 71 HG1 GLU 71 12.157 -8.801 0.197 556 2HG GLU 71 HG2 GLU 71 12.712 -10.250 -0.641 557 H THR 72 HN THR 72 9.063 -9.034 -3.422 558 HA THR 72 HA THR 72 7.341 -11.105 -2.762 559 HB THR 72 HB THR 72 6.172 -9.647 -4.909 560 HG1 THR 72 HG1 THR 72 7.067 -7.776 -4.793 561 1HG2 THR 72 HG2 THR 72 5.167 -10.433 -2.698 562 2HG2 THR 72 HG2 THR 72 4.654 -8.876 -3.348 563 3HG2 THR 72 HG2 THR 72 5.825 -8.939 -2.030 564 H VAL 73 HN VAL 73 9.116 -10.554 -5.731 565 HA VAL 73 HA VAL 73 7.605 -12.425 -7.278 566 HB VAL 73 HB VAL 73 8.968 -10.532 -8.247 567 1HG1 VAL 73 HG1 VAL 73 11.096 -10.452 -7.549 568 2HG1 VAL 73 HG1 VAL 73 11.383 -11.681 -8.781 569 3HG1 VAL 73 HG1 VAL 73 11.116 -12.158 -7.104 570 1HG2 VAL 73 HG2 VAL 73 8.922 -11.583 -10.234 571 2HG2 VAL 73 HG2 VAL 73 8.188 -12.896 -9.313 572 3HG2 VAL 73 HG2 VAL 73 9.916 -12.924 -9.664 573 H LYS 74 HN LYS 74 10.298 -12.623 -5.107 574 HA LYS 74 HA LYS 74 11.411 -15.074 -5.910 575 1HB LYS 74 HB2 LYS 74 11.670 -13.291 -3.709 576 2HB LYS 74 HB1 LYS 74 11.377 -14.894 -3.049 577 1HG LYS 74 HG2 LYS 74 13.370 -14.758 -5.209 578 2HG LYS 74 HG1 LYS 74 13.812 -13.949 -3.704 579 1HD LYS 74 HD1 LYS 74 13.022 -16.146 -2.579 580 2HD LYS 74 HD2 LYS 74 13.210 -16.841 -4.191 581 1HE LYS 74 HE1 LYS 74 15.544 -15.459 -3.898 582 2HE LYS 74 HE2 LYS 74 15.236 -16.001 -2.249 583 1HZ LYS 74 HZ1 LYS 74 15.296 -17.767 -4.635 584 2HZ LYS 74 HZ2 LYS 74 15.085 -18.262 -3.031 585 3HZ LYS 74 HZ3 LYS 74 16.558 -17.595 -3.523 586 H LYS 75 HN LYS 75 8.799 -14.276 -3.672 587 HA LYS 75 HA LYS 75 8.039 -17.084 -3.437 588 1HB LYS 75 HB1 LYS 75 6.615 -14.693 -2.264 589 2HB LYS 75 HB2 LYS 75 6.483 -16.373 -1.763 590 1HG LYS 75 HG1 LYS 75 7.923 -15.776 -0.160 591 2HG LYS 75 HG2 LYS 75 9.140 -15.937 -1.430 592 1HD LYS 75 HD2 LYS 75 9.543 -13.836 -0.454 593 2HD LYS 75 HD1 LYS 75 8.688 -13.490 -1.959 594 1HE LYS 75 HE1 LYS 75 6.806 -12.785 -0.889 595 2HE LYS 75 HE2 LYS 75 7.051 -13.865 0.482 596 1HZ LYS 75 HZ1 LYS 75 7.344 -11.484 1.017 597 2HZ LYS 75 HZ2 LYS 75 8.676 -11.435 -0.025 598 3HZ LYS 75 HZ3 LYS 75 8.714 -12.415 1.352 599 H LEU 76 HN LEU 76 6.063 -14.169 -3.971 600 HA LEU 76 HA LEU 76 4.448 -15.675 -5.906 601 1HB LEU 76 HB1 LEU 76 3.026 -13.460 -5.666 602 2HB LEU 76 HB2 LEU 76 2.901 -14.761 -4.492 603 HG LEU 76 HG LEU 76 4.898 -12.624 -3.955 604 1HD1 LEU 76 HD2 LEU 76 2.289 -11.926 -2.910 605 2HD1 LEU 76 HD2 LEU 76 2.340 -11.873 -4.671 606 3HD1 LEU 76 HD2 LEU 76 3.488 -10.923 -3.728 607 1HD2 LEU 76 HD1 LEU 76 3.519 -14.722 -2.542 608 2HD2 LEU 76 HD1 LEU 76 3.301 -13.170 -1.732 609 3HD2 LEU 76 HD1 LEU 76 4.925 -13.777 -2.054 610 H GLY 77 HN GLY 77 4.224 -12.288 -6.091 611 1HA GLY 77 HA2 GLY 77 6.207 -12.057 -8.220 612 2HA GLY 77 HA1 GLY 77 4.527 -11.759 -8.648 613 H HIS 78 HN HIS 78 3.449 -9.972 -7.752 614 HA HIS 78 HA HIS 78 4.948 -8.095 -6.144 615 1HB HIS 78 HB1 HIS 78 4.181 -6.262 -7.894 616 2HB HIS 78 HB2 HIS 78 5.710 -7.113 -8.081 617 HD2 HIS 78 HD2 HIS 78 5.984 -7.523 -10.708 618 HE1 HIS 78 HE1 HIS 78 2.018 -8.782 -11.486 619 HE2 HIS 78 HE2 HIS 78 4.319 -8.415 -12.487 620 H GLU 79 HN GLU 79 3.595 -6.633 -5.020 621 HA GLU 79 HA GLU 79 0.773 -7.356 -5.089 622 1HB GLU 79 HB2 GLU 79 1.587 -5.475 -3.025 623 2HB GLU 79 HB1 GLU 79 0.795 -7.035 -2.867 624 1HG GLU 79 HG2 GLU 79 2.729 -8.142 -2.490 625 2HG GLU 79 HG1 GLU 79 3.677 -7.064 -3.514 626 H VAL 80 HN VAL 80 1.055 -6.048 -7.254 627 HA VAL 80 HA VAL 80 0.866 -3.177 -6.772 628 HB VAL 80 HB VAL 80 0.623 -4.154 -9.539 629 1HG1 VAL 80 HG1 VAL 80 1.704 -2.207 -10.040 630 2HG1 VAL 80 HG1 VAL 80 2.698 -2.253 -8.583 631 3HG1 VAL 80 HG1 VAL 80 1.005 -1.763 -8.482 632 1HG2 VAL 80 HG2 VAL 80 3.273 -4.419 -8.131 633 2HG2 VAL 80 HG2 VAL 80 2.899 -4.819 -9.806 634 3HG2 VAL 80 HG2 VAL 80 2.219 -5.787 -8.496 635 H LEU 81 HN LEU 81 -1.016 -2.256 -6.520 636 HA LEU 81 HA LEU 81 -3.305 -3.249 -8.057 637 1HB LEU 81 HB1 LEU 81 -4.763 -2.868 -6.109 638 2HB LEU 81 HB2 LEU 81 -3.579 -4.131 -5.829 639 HG LEU 81 HG LEU 81 -2.693 -1.477 -4.965 640 1HD1 LEU 81 HD1 LEU 81 -4.944 -2.776 -3.450 641 2HD1 LEU 81 HD1 LEU 81 -5.145 -1.376 -4.505 642 3HD1 LEU 81 HD1 LEU 81 -4.119 -1.263 -3.074 643 1HD2 LEU 81 HD2 LEU 81 -2.924 -3.776 -3.120 644 2HD2 LEU 81 HD2 LEU 81 -1.582 -2.662 -3.401 645 3HD2 LEU 81 HD2 LEU 81 -1.879 -3.985 -4.530 646 H GLU 82 HN GLU 82 -1.603 -0.600 -6.551 647 HA GLU 82 HA GLU 82 -3.048 1.231 -8.289 648 1HB GLU 82 HB2 GLU 82 -3.900 0.909 -5.646 649 2HB GLU 82 HB1 GLU 82 -3.006 2.423 -5.663 650 1HG GLU 82 HG2 GLU 82 -4.805 2.174 -7.924 651 2HG GLU 82 HG1 GLU 82 -5.642 2.054 -6.377 652 H ILE 83 HN ILE 83 -1.933 3.011 -8.855 653 HA ILE 83 HA ILE 83 0.469 3.778 -7.387 654 HB ILE 83 HB ILE 83 0.584 3.276 -10.362 655 1HG1 ILE 83 HG1 ILE 83 2.383 1.543 -9.292 656 2HG1 ILE 83 HG1 ILE 83 1.129 1.506 -8.057 657 1HG2 ILE 83 HG2 ILE 83 2.173 4.827 -8.627 658 2HG2 ILE 83 HG2 ILE 83 2.469 4.444 -10.323 659 3HG2 ILE 83 HG2 ILE 83 3.121 3.403 -9.057 660 1HD1 ILE 83 HD1 ILE 83 -0.465 1.141 -10.078 661 2HD1 ILE 83 HD1 ILE 83 0.483 -0.202 -9.441 662 3HD1 ILE 83 HD1 ILE 83 1.011 0.635 -10.901 663 H GLU 84 HN GLU 84 0.578 5.954 -7.247 664 HA GLU 84 HA GLU 84 -0.375 7.642 -9.396 665 1HB GLU 84 HB1 GLU 84 -1.929 8.898 -7.880 666 2HB GLU 84 HB2 GLU 84 -2.473 7.281 -8.311 667 1HG GLU 84 HG2 GLU 84 -2.192 6.467 -6.197 668 2HG GLU 84 HG1 GLU 84 -0.924 7.628 -5.800 669 H GLU 85 HN GLU 85 -0.439 10.029 -8.393 670 HA GLU 85 HA GLU 85 1.971 10.394 -6.747 671 1HB GLU 85 HB2 GLU 85 2.465 12.407 -8.252 672 2HB GLU 85 HB1 GLU 85 2.808 10.812 -8.906 673 1HG GLU 85 HG1 GLU 85 0.588 10.902 -10.054 674 2HG GLU 85 HG2 GLU 85 0.464 12.583 -9.536 675 H VAL 86 HN VAL 86 2.121 12.567 -5.780 676 HA VAL 86 HA VAL 86 -0.565 13.644 -5.223 677 HB VAL 86 HB VAL 86 1.651 14.213 -3.337 678 1HG1 VAL 86 HG1 VAL 86 -0.037 14.735 -1.975 679 2HG1 VAL 86 HG1 VAL 86 -0.868 13.212 -2.295 680 3HG1 VAL 86 HG1 VAL 86 -1.084 14.581 -3.386 681 1HG2 VAL 86 HG2 VAL 86 0.362 11.497 -3.562 682 2HG2 VAL 86 HG2 VAL 86 1.286 12.056 -2.168 683 3HG2 VAL 86 HG2 VAL 86 2.076 11.879 -3.734 684 H GLY 87 HN GLY 87 2.862 14.657 -5.250 685 1HA GLY 87 HA1 GLY 87 1.943 17.286 -6.244 686 2HA GLY 87 HA2 GLY 87 3.261 17.113 -5.096 687 HA PRO 88 HA PRO 88 5.430 17.594 -9.077 688 1HB PRO 88 HB1 PRO 88 7.857 18.111 -7.914 689 2HB PRO 88 HB2 PRO 88 6.630 19.342 -8.230 690 1HG PRO 88 HG2 PRO 88 7.247 17.886 -5.688 691 2HG PRO 88 HG1 PRO 88 6.873 19.602 -5.933 692 1HD PRO 88 HD2 PRO 88 5.034 17.869 -5.016 693 2HD PRO 88 HD1 PRO 88 4.596 19.212 -6.091 694 H SER 89 HN SER 89 7.833 16.474 -6.766 695 HA SER 89 HA SER 89 8.172 14.056 -8.382 696 1HB SER 89 HB2 SER 89 10.377 13.872 -7.268 697 2HB SER 89 HB1 SER 89 10.174 15.427 -8.076 698 HG SER 89 HG SER 89 10.954 15.906 -6.086 699 H GLU 90 HN GLU 90 6.514 14.930 -5.732 700 HA GLU 90 HA GLU 90 7.080 12.537 -4.157 701 1HB GLU 90 HB2 GLU 90 5.242 13.588 -2.664 702 2HB GLU 90 HB1 GLU 90 6.823 14.355 -2.723 703 1HG GLU 90 HG1 GLU 90 6.005 16.029 -4.248 704 2HG GLU 90 HG2 GLU 90 4.440 15.221 -4.343 705 H TRP 91 HN TRP 91 5.965 10.724 -4.437 706 HA TRP 91 HA TRP 91 3.193 10.902 -5.385 707 1HB TRP 91 HB2 TRP 91 3.995 8.606 -6.601 708 2HB TRP 91 HB1 TRP 91 3.926 10.174 -7.396 709 HD1 TRP 91 HD1 TRP 91 6.590 8.251 -5.305 710 HE1 TRP 91 HE1 TRP 91 8.870 8.588 -6.453 711 HE3 TRP 91 HE3 TRP 91 5.119 11.265 -9.164 712 HZ2 TRP 91 HZ2 TRP 91 9.906 9.952 -8.698 713 HZ3 TRP 91 HZ3 TRP 91 6.816 12.043 -10.767 714 HH2 TRP 91 HH2 TRP 91 9.160 11.398 -10.539 715 H LYS 92 HN LYS 92 2.017 8.810 -5.128 716 HA LYS 92 HA LYS 92 2.957 7.367 -2.739 717 1HB LYS 92 HB2 LYS 92 1.099 8.825 -2.145 718 2HB LYS 92 HB1 LYS 92 0.131 8.171 -3.459 719 1HG LYS 92 HG2 LYS 92 -0.542 6.443 -2.234 720 2HG LYS 92 HG1 LYS 92 1.096 6.104 -1.668 721 1HD LYS 92 HD2 LYS 92 0.246 6.726 0.329 722 2HD LYS 92 HD1 LYS 92 0.566 8.352 -0.278 723 1HE LYS 92 HE1 LYS 92 -1.957 7.554 -1.278 724 2HE LYS 92 HE2 LYS 92 -1.925 7.169 0.443 725 1HZ LYS 92 HZ1 LYS 92 -2.031 9.310 0.978 726 2HZ LYS 92 HZ2 LYS 92 -2.441 9.611 -0.635 727 3HZ LYS 92 HZ3 LYS 92 -0.832 9.752 -0.131 728 H ILE 93 HN ILE 93 2.719 5.162 -2.723 729 HA ILE 93 HA ILE 93 1.618 3.948 -5.173 730 HB ILE 93 HB ILE 93 3.916 2.726 -3.681 731 1HG1 ILE 93 HG1 ILE 93 5.061 3.869 -5.907 732 2HG1 ILE 93 HG1 ILE 93 3.946 5.124 -5.374 733 1HG2 ILE 93 HG2 ILE 93 3.322 2.533 -6.609 734 2HG2 ILE 93 HG2 ILE 93 2.464 1.532 -5.438 735 3HG2 ILE 93 HG2 ILE 93 4.218 1.417 -5.579 736 1HD1 ILE 93 HD1 ILE 93 5.866 3.818 -3.484 737 2HD1 ILE 93 HD1 ILE 93 5.012 5.352 -3.311 738 3HD1 ILE 93 HD1 ILE 93 6.323 5.199 -4.482 739 H TYR 94 HN TYR 94 0.736 1.843 -4.959 740 HA TYR 94 HA TYR 94 0.037 1.117 -2.193 741 1HB TYR 94 HB1 TYR 94 -1.661 0.973 -4.684 742 2HB TYR 94 HB2 TYR 94 -2.069 0.123 -3.199 743 HD1 TYR 94 HD1 TYR 94 -1.179 3.571 -4.356 744 HD2 TYR 94 HD2 TYR 94 -3.486 1.169 -1.709 745 HE1 TYR 94 HE1 TYR 94 -2.305 5.590 -3.513 746 HE2 TYR 94 HE2 TYR 94 -4.617 3.179 -0.858 747 HH TYR 94 HH TYR 94 -3.771 5.890 -0.821 748 H ILE 95 HN ILE 95 1.094 -0.618 -1.633 749 HA ILE 95 HA ILE 95 1.271 -2.866 -3.519 750 HB ILE 95 HB ILE 95 3.481 -1.543 -2.843 751 1HG1 ILE 95 HG1 ILE 95 4.588 -3.971 -2.885 752 2HG1 ILE 95 HG1 ILE 95 2.952 -4.428 -3.350 753 1HG2 ILE 95 HG2 ILE 95 3.044 -1.917 -0.402 754 2HG2 ILE 95 HG2 ILE 95 4.635 -2.424 -0.969 755 3HG2 ILE 95 HG2 ILE 95 3.379 -3.626 -0.676 756 1HD1 ILE 95 HD1 ILE 95 3.175 -2.551 -5.101 757 2HD1 ILE 95 HD1 ILE 95 3.998 -4.086 -5.377 758 3HD1 ILE 95 HD1 ILE 95 4.907 -2.692 -4.791 759 H LYS 96 HN LYS 96 0.245 -4.618 -2.767 760 HA LYS 96 HA LYS 96 -0.261 -4.750 0.135 761 1HB LYS 96 HB1 LYS 96 -2.258 -4.688 -2.086 762 2HB LYS 96 HB2 LYS 96 -2.623 -5.574 -0.629 763 1HG LYS 96 HG2 LYS 96 -3.608 -3.403 -0.513 764 2HG LYS 96 HG1 LYS 96 -2.343 -3.560 0.697 765 1HD LYS 96 HD2 LYS 96 -0.967 -2.058 -0.333 766 2HD LYS 96 HD1 LYS 96 -1.641 -2.371 -1.930 767 1HE LYS 96 HE2 LYS 96 -2.584 -0.553 0.216 768 2HE LYS 96 HE1 LYS 96 -2.548 -0.315 -1.531 769 1HZ LYS 96 HZ1 LYS 96 -4.763 -0.591 -1.241 770 2HZ LYS 96 HZ2 LYS 96 -4.595 -1.565 0.132 771 3HZ LYS 96 HZ3 LYS 96 -4.348 -2.223 -1.406 772 H VAL 97 HN VAL 97 0.747 -6.581 0.709 773 HA VAL 97 HA VAL 97 1.233 -8.796 -0.906 774 HB VAL 97 HB VAL 97 0.881 -8.890 2.090 775 1HG1 VAL 97 HG2 VAL 97 1.508 -11.011 1.903 776 2HG1 VAL 97 HG2 VAL 97 3.014 -10.495 1.144 777 3HG1 VAL 97 HG2 VAL 97 1.599 -10.842 0.150 778 1HG2 VAL 97 HG1 VAL 97 2.768 -7.739 2.399 779 2HG2 VAL 97 HG1 VAL 97 2.600 -7.216 0.723 780 3HG2 VAL 97 HG1 VAL 97 3.605 -8.611 1.115 781 H LYS 98 HN LYS 98 -0.204 -10.054 -1.872 782 HA LYS 98 HA LYS 98 -2.861 -10.402 -0.741 783 1HB LYS 98 HB1 LYS 98 -1.682 -11.361 -3.356 784 2HB LYS 98 HB2 LYS 98 -3.365 -11.537 -2.881 785 1HG LYS 98 HG1 LYS 98 -2.215 -8.806 -2.855 786 2HG LYS 98 HG2 LYS 98 -2.526 -9.556 -4.422 787 1HD LYS 98 HD1 LYS 98 -4.851 -9.966 -3.756 788 2HD LYS 98 HD2 LYS 98 -4.535 -9.193 -2.200 789 1HE LYS 98 HE2 LYS 98 -3.967 -7.718 -4.735 790 2HE LYS 98 HE1 LYS 98 -5.625 -7.835 -4.145 791 1HZ LYS 98 HZ1 LYS 98 -3.876 -5.943 -3.401 792 2HZ LYS 98 HZ2 LYS 98 -3.688 -7.062 -2.146 793 3HZ LYS 98 HZ3 LYS 98 -5.215 -6.416 -2.482 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -5.899 -27.870 28.621 2 2H GLY 1 HT2 GLY 1 -6.712 -27.704 27.148 3 3H GLY 1 HT3 GLY 1 -6.966 -29.076 28.104 4 1HA GLY 1 HA1 GLY 1 -8.589 -28.102 29.221 5 2HA GLY 1 HA2 GLY 1 -7.513 -26.777 29.636 6 H SER 2 HN SER 2 -8.522 -27.744 26.392 7 HA SER 2 HA SER 2 -9.537 -25.041 25.964 8 1HB SER 2 HB2 SER 2 -9.566 -26.985 23.730 9 2HB SER 2 HB1 SER 2 -9.021 -25.308 23.761 10 HG SER 2 HG SER 2 -7.171 -26.406 23.592 11 H SER 3 HN SER 3 -11.500 -24.925 24.440 12 HA SER 3 HA SER 3 -13.487 -26.983 25.086 13 1HB SER 3 HB2 SER 3 -13.495 -24.172 25.976 14 2HB SER 3 HB1 SER 3 -15.005 -24.714 25.243 15 HG SER 3 HG SER 3 -13.743 -25.582 27.581 16 H HIS 4 HN HIS 4 -13.015 -23.918 23.327 17 HA HIS 4 HA HIS 4 -14.545 -25.067 21.088 18 1HB HIS 4 HB2 HIS 4 -14.574 -22.512 20.417 19 2HB HIS 4 HB1 HIS 4 -15.721 -23.149 21.592 20 HD2 HIS 4 HD2 HIS 4 -15.853 -21.669 23.805 21 HE1 HIS 4 HE1 HIS 4 -11.981 -19.973 23.580 22 HE2 HIS 4 HE2 HIS 4 -14.158 -20.025 24.881 23 H HIS 5 HN HIS 5 -12.162 -26.059 21.005 24 HA HIS 5 HA HIS 5 -10.549 -24.338 19.243 25 1HB HIS 5 HB1 HIS 5 -9.609 -25.326 21.470 26 2HB HIS 5 HB2 HIS 5 -9.485 -26.823 20.549 27 HD2 HIS 5 HD2 HIS 5 -7.372 -27.003 18.849 28 HE1 HIS 5 HE1 HIS 5 -5.951 -23.064 19.463 29 HE2 HIS 5 HE2 HIS 5 -5.459 -25.310 18.394 30 H HIS 6 HN HIS 6 -11.750 -24.861 17.373 31 HA HIS 6 HA HIS 6 -11.086 -27.502 16.284 32 1HB HIS 6 HB2 HIS 6 -13.403 -27.376 15.128 33 2HB HIS 6 HB1 HIS 6 -13.329 -27.888 16.811 34 HD2 HIS 6 HD2 HIS 6 -15.861 -26.986 17.400 35 HE1 HIS 6 HE1 HIS 6 -15.013 -22.905 16.662 36 HE2 HIS 6 HE2 HIS 6 -16.709 -24.541 17.599 37 H HIS 7 HN HIS 7 -9.662 -25.187 15.800 38 HA HIS 7 HA HIS 7 -10.569 -23.989 13.334 39 1HB HIS 7 HB2 HIS 7 -8.773 -23.263 15.366 40 2HB HIS 7 HB1 HIS 7 -7.780 -23.499 13.931 41 HD2 HIS 7 HD2 HIS 7 -9.780 -20.800 15.547 42 HE1 HIS 7 HE1 HIS 7 -9.615 -19.826 11.431 43 HE2 HIS 7 HE2 HIS 7 -10.184 -18.971 13.750 44 H HIS 8 HN HIS 8 -10.700 -26.245 12.372 45 HA HIS 8 HA HIS 8 -8.191 -26.771 10.944 46 1HB HIS 8 HB2 HIS 8 -8.604 -29.209 11.106 47 2HB HIS 8 HB1 HIS 8 -8.319 -28.470 12.679 48 HD2 HIS 8 HD2 HIS 8 -11.054 -30.384 10.748 49 HE1 HIS 8 HE1 HIS 8 -12.520 -29.481 14.615 50 HE2 HIS 8 HE2 HIS 8 -12.947 -30.779 12.478 51 H HIS 9 HN HIS 9 -10.768 -25.402 10.329 52 HA HIS 9 HA HIS 9 -12.175 -27.072 8.478 53 1HB HIS 9 HB1 HIS 9 -13.376 -25.017 7.865 54 2HB HIS 9 HB2 HIS 9 -13.300 -25.213 9.613 55 HD2 HIS 9 HD2 HIS 9 -11.292 -23.530 10.862 56 HE1 HIS 9 HE1 HIS 9 -11.475 -20.742 7.682 57 HE2 HIS 9 HE2 HIS 9 -10.685 -21.138 10.059 58 H SER 10 HN SER 10 -9.182 -25.708 8.336 59 HA SER 10 HA SER 10 -9.246 -24.914 5.548 60 1HB SER 10 HB1 SER 10 -7.790 -23.879 7.436 61 2HB SER 10 HB2 SER 10 -6.736 -25.269 7.170 62 HG SER 10 HG SER 10 -7.548 -23.862 4.915 63 H SER 11 HN SER 11 -9.821 -27.718 6.432 64 HA SER 11 HA SER 11 -7.703 -29.430 5.763 65 1HB SER 11 HB1 SER 11 -9.995 -29.956 6.872 66 2HB SER 11 HB2 SER 11 -10.576 -30.137 5.217 67 HG SER 11 HG SER 11 -9.896 -32.129 5.747 68 H GLY 12 HN GLY 12 -10.588 -28.805 3.750 69 1HA GLY 12 HA1 GLY 12 -9.331 -29.777 1.386 70 2HA GLY 12 HA2 GLY 12 -10.864 -28.922 1.468 71 H LEU 13 HN LEU 13 -10.954 -26.897 0.720 72 HA LEU 13 HA LEU 13 -8.574 -25.743 -0.427 73 1HB LEU 13 HB1 LEU 13 -11.463 -25.357 -0.647 74 2HB LEU 13 HB2 LEU 13 -10.568 -23.851 -0.671 75 HG LEU 13 HG LEU 13 -10.935 -24.610 -2.933 76 1HD1 LEU 13 HD2 LEU 13 -8.920 -23.467 -2.816 77 2HD1 LEU 13 HD2 LEU 13 -8.477 -24.975 -3.615 78 3HD1 LEU 13 HD2 LEU 13 -8.130 -24.752 -1.901 79 1HD2 LEU 13 HD1 LEU 13 -9.284 -27.053 -2.506 80 2HD2 LEU 13 HD1 LEU 13 -10.495 -26.711 -3.744 81 3HD2 LEU 13 HD1 LEU 13 -10.999 -27.087 -2.096 82 H VAL 14 HN VAL 14 -7.554 -23.861 0.173 83 HA VAL 14 HA VAL 14 -7.870 -23.108 2.950 84 HB VAL 14 HB VAL 14 -5.617 -23.373 2.221 85 1HG1 VAL 14 HG2 VAL 14 -6.339 -21.464 0.011 86 2HG1 VAL 14 HG2 VAL 14 -5.777 -23.130 -0.129 87 3HG1 VAL 14 HG2 VAL 14 -4.676 -21.872 0.429 88 1HG2 VAL 14 HG1 VAL 14 -4.690 -21.061 2.588 89 2HG2 VAL 14 HG1 VAL 14 -5.816 -21.631 3.819 90 3HG2 VAL 14 HG1 VAL 14 -6.354 -20.479 2.597 91 HA PRO 15 HA PRO 15 -10.599 -19.725 1.803 92 1HB PRO 15 HB2 PRO 15 -10.393 -19.020 4.649 93 2HB PRO 15 HB1 PRO 15 -11.818 -19.458 3.703 94 1HG PRO 15 HG2 PRO 15 -10.783 -21.107 5.557 95 2HG PRO 15 HG1 PRO 15 -11.532 -21.718 4.069 96 1HD PRO 15 HD1 PRO 15 -8.629 -21.410 4.744 97 2HD PRO 15 HD2 PRO 15 -9.455 -22.737 3.899 98 H ARG 16 HN ARG 16 -10.353 -17.535 1.473 99 HA ARG 16 HA ARG 16 -7.671 -16.493 1.931 100 1HB ARG 16 HB1 ARG 16 -8.949 -14.508 0.582 101 2HB ARG 16 HB2 ARG 16 -8.081 -15.830 -0.183 102 1HG ARG 16 HG1 ARG 16 -10.385 -17.047 -0.041 103 2HG ARG 16 HG2 ARG 16 -11.015 -15.404 0.103 104 1HD ARG 16 HD2 ARG 16 -9.065 -16.054 -2.063 105 2HD ARG 16 HD1 ARG 16 -10.757 -16.518 -2.247 106 HE ARG 16 HE ARG 16 -11.283 -14.115 -1.925 107 1HH1 ARG 16 HH1 ARG 16 -8.106 -15.071 -2.994 108 2HH1 ARG 16 HH1 ARG 16 -7.775 -13.563 -3.778 109 1HH2 ARG 16 HH2 ARG 16 -10.855 -12.126 -2.955 110 2HH2 ARG 16 HH2 ARG 16 -9.338 -11.888 -3.756 111 H GLY 17 HN GLY 17 -10.605 -14.536 1.835 112 1HA GLY 17 HA1 GLY 17 -9.723 -13.079 4.172 113 2HA GLY 17 HA2 GLY 17 -11.143 -12.731 3.197 114 H SER 18 HN SER 18 -9.881 -15.025 5.595 115 HA SER 18 HA SER 18 -12.530 -15.925 6.295 116 1HB SER 18 HB2 SER 18 -11.180 -17.084 8.190 117 2HB SER 18 HB1 SER 18 -10.932 -17.620 6.528 118 HG SER 18 HG SER 18 -9.159 -15.940 6.599 119 H HIS 19 HN HIS 19 -10.033 -14.882 8.583 120 HA HIS 19 HA HIS 19 -11.967 -13.790 10.364 121 1HB HIS 19 HB2 HIS 19 -9.212 -14.489 10.457 122 2HB HIS 19 HB1 HIS 19 -9.350 -12.810 10.966 123 HD2 HIS 19 HD2 HIS 19 -9.122 -15.950 12.687 124 HE1 HIS 19 HE1 HIS 19 -12.144 -13.895 14.823 125 HE2 HIS 19 HE2 HIS 19 -10.524 -15.846 14.868 126 H MET 20 HN MET 20 -9.128 -12.071 9.087 127 HA MET 20 HA MET 20 -10.444 -9.544 9.306 128 1HB MET 20 HB1 MET 20 -7.762 -10.506 8.466 129 2HB MET 20 HB2 MET 20 -8.272 -8.937 7.855 130 1HG MET 20 HG2 MET 20 -6.948 -8.800 9.928 131 2HG MET 20 HG1 MET 20 -8.557 -8.095 10.078 132 1HE MET 20 HE1 MET 20 -6.843 -10.112 13.236 133 2HE MET 20 HE2 MET 20 -6.162 -9.233 11.867 134 3HE MET 20 HE3 MET 20 -6.195 -10.997 11.854 135 H ALA 21 HN ALA 21 -11.381 -8.303 7.769 136 HA ALA 21 HA ALA 21 -12.254 -9.571 5.359 137 1HB ALA 21 HB1 ALA 21 -12.943 -6.938 5.073 138 2HB ALA 21 HB2 ALA 21 -12.861 -7.122 6.825 139 3HB ALA 21 HB3 ALA 21 -13.917 -8.170 5.877 140 H LYS 22 HN LYS 22 -12.208 -8.016 3.306 141 HA LYS 22 HA LYS 22 -9.385 -7.729 2.658 142 1HB LYS 22 HB1 LYS 22 -11.506 -7.159 0.647 143 2HB LYS 22 HB2 LYS 22 -9.967 -7.986 0.451 144 1HG LYS 22 HG1 LYS 22 -10.854 -9.976 1.482 145 2HG LYS 22 HG2 LYS 22 -12.374 -9.151 1.835 146 1HD LYS 22 HD2 LYS 22 -11.379 -9.317 -0.980 147 2HD LYS 22 HD1 LYS 22 -12.201 -10.699 -0.251 148 1HE LYS 22 HE2 LYS 22 -14.116 -9.235 0.285 149 2HE LYS 22 HE1 LYS 22 -13.299 -7.904 -0.533 150 1HZ LYS 22 HZ1 LYS 22 -13.291 -9.978 -2.335 151 2HZ LYS 22 HZ2 LYS 22 -14.277 -8.604 -2.380 152 3HZ LYS 22 HZ3 LYS 22 -14.835 -10.022 -1.645 153 H TYR 23 HN TYR 23 -9.184 -5.827 4.072 154 HA TYR 23 HA TYR 23 -10.502 -3.393 3.237 155 1HB TYR 23 HB1 TYR 23 -8.702 -2.451 4.955 156 2HB TYR 23 HB2 TYR 23 -10.174 -3.257 5.507 157 HD1 TYR 23 HD1 TYR 23 -6.626 -4.019 4.622 158 HD2 TYR 23 HD2 TYR 23 -9.997 -4.996 7.027 159 HE1 TYR 23 HE1 TYR 23 -5.263 -5.646 5.862 160 HE2 TYR 23 HE2 TYR 23 -8.644 -6.627 8.274 161 HH TYR 23 HH TYR 23 -6.127 -6.931 8.774 162 H GLN 24 HN GLN 24 -8.781 -1.441 3.367 163 HA GLN 24 HA GLN 24 -7.046 -1.825 1.051 164 1HB GLN 24 HB2 GLN 24 -8.616 0.346 2.128 165 2HB GLN 24 HB1 GLN 24 -6.948 0.846 1.883 166 1HG GLN 24 HG1 GLN 24 -7.672 -0.581 -0.417 167 2HG GLN 24 HG2 GLN 24 -9.036 0.471 -0.039 168 1HE2 GLN 24 HE2 GLN 24 -6.880 0.470 -2.156 169 2HE2 GLN 24 HE2 GLN 24 -6.249 2.077 -2.117 170 H VAL 25 HN VAL 25 -5.381 0.319 1.616 171 HA VAL 25 HA VAL 25 -3.196 -0.840 2.766 172 HB VAL 25 HB VAL 25 -2.819 1.085 1.493 173 1HG1 VAL 25 HG1 VAL 25 -3.991 3.153 3.078 174 2HG1 VAL 25 HG1 VAL 25 -5.196 1.913 2.717 175 3HG1 VAL 25 HG1 VAL 25 -4.323 2.706 1.403 176 1HG2 VAL 25 HG2 VAL 25 -1.490 2.508 2.880 177 2HG2 VAL 25 HG2 VAL 25 -1.355 0.869 3.515 178 3HG2 VAL 25 HG2 VAL 25 -2.395 2.044 4.320 179 H THR 26 HN THR 26 -2.519 -1.280 4.769 180 HA THR 26 HA THR 26 -4.082 -0.263 7.030 181 HB THR 26 HB THR 26 -2.012 -2.453 7.137 182 HG1 THR 26 HG1 THR 26 -4.663 -2.537 6.236 183 1HG2 THR 26 HG2 THR 26 -3.964 -1.364 9.003 184 2HG2 THR 26 HG2 THR 26 -2.519 -2.331 9.297 185 3HG2 THR 26 HG2 THR 26 -4.028 -3.118 8.838 186 H LYS 27 HN LYS 27 -0.660 -0.976 6.276 187 HA LYS 27 HA LYS 27 0.124 1.169 8.120 188 1HB LYS 27 HB2 LYS 27 1.220 -1.398 7.532 189 2HB LYS 27 HB1 LYS 27 2.402 -0.175 7.103 190 1HG LYS 27 HG1 LYS 27 2.649 -1.004 9.381 191 2HG LYS 27 HG2 LYS 27 2.317 0.729 9.331 192 1HD LYS 27 HD1 LYS 27 0.046 0.381 9.982 193 2HD LYS 27 HD2 LYS 27 0.198 -1.366 9.783 194 1HE LYS 27 HE2 LYS 27 1.222 -1.639 11.776 195 2HE LYS 27 HE1 LYS 27 2.104 -0.117 11.649 196 1HZ LYS 27 HZ1 LYS 27 0.048 -0.532 13.308 197 2HZ LYS 27 HZ2 LYS 27 -0.756 0.153 11.987 198 3HZ LYS 27 HZ3 LYS 27 0.507 0.992 12.735 199 H THR 28 HN THR 28 1.847 2.638 7.437 200 HA THR 28 HA THR 28 2.020 2.994 4.533 201 HB THR 28 HB THR 28 1.409 5.234 6.468 202 HG1 THR 28 HG1 THR 28 -0.336 3.698 6.007 203 1HG2 THR 28 HG2 THR 28 1.357 5.263 3.467 204 2HG2 THR 28 HG2 THR 28 2.665 5.917 4.453 205 3HG2 THR 28 HG2 THR 28 1.048 6.614 4.556 206 H LEU 29 HN LEU 29 4.076 3.054 3.964 207 HA LEU 29 HA LEU 29 6.070 4.040 5.877 208 1HB LEU 29 HB1 LEU 29 6.322 1.739 4.896 209 2HB LEU 29 HB2 LEU 29 6.531 2.493 3.327 210 HG LEU 29 HG LEU 29 8.326 3.423 5.492 211 1HD1 LEU 29 HD1 LEU 29 9.412 1.515 5.879 212 2HD1 LEU 29 HD1 LEU 29 9.372 1.050 4.178 213 3HD1 LEU 29 HD1 LEU 29 7.990 0.705 5.220 214 1HD2 LEU 29 HD2 LEU 29 9.946 3.275 3.570 215 2HD2 LEU 29 HD2 LEU 29 8.608 4.406 3.363 216 3HD2 LEU 29 HD2 LEU 29 8.571 2.837 2.554 217 H ASP 30 HN ASP 30 6.587 6.108 5.615 218 HA ASP 30 HA ASP 30 6.910 7.136 2.881 219 1HB ASP 30 HB2 ASP 30 6.020 9.354 3.811 220 2HB ASP 30 HB1 ASP 30 4.842 8.080 3.512 221 H VAL 31 HN VAL 31 8.942 7.718 2.605 222 HA VAL 31 HA VAL 31 10.324 9.113 4.797 223 HB VAL 31 HB VAL 31 12.146 7.588 3.114 224 1HG1 VAL 31 HG2 VAL 31 11.694 8.086 6.025 225 2HG1 VAL 31 HG2 VAL 31 13.086 8.489 5.020 226 3HG1 VAL 31 HG2 VAL 31 12.804 6.817 5.508 227 1HG2 VAL 31 HG1 VAL 31 9.884 6.184 4.424 228 2HG2 VAL 31 HG1 VAL 31 11.487 5.463 4.559 229 3HG2 VAL 31 HG1 VAL 31 10.788 5.767 2.969 230 H ARG 32 HN ARG 32 9.319 10.826 3.262 231 HA ARG 32 HA ARG 32 10.246 11.382 0.734 232 1HB ARG 32 HB2 ARG 32 10.027 13.882 1.622 233 2HB ARG 32 HB1 ARG 32 8.622 12.874 1.307 234 1HG ARG 32 HG2 ARG 32 8.300 12.428 3.598 235 2HG ARG 32 HG1 ARG 32 9.892 13.060 4.021 236 1HD ARG 32 HD2 ARG 32 7.848 14.816 2.718 237 2HD ARG 32 HD1 ARG 32 7.798 14.518 4.455 238 HE ARG 32 HE ARG 32 9.893 15.950 2.993 239 1HH1 ARG 32 HH2 ARG 32 8.553 14.836 6.013 240 2HH1 ARG 32 HH2 ARG 32 9.540 15.878 6.982 241 1HH2 ARG 32 HH1 ARG 32 11.195 17.325 4.263 242 2HH2 ARG 32 HH1 ARG 32 11.041 17.293 5.988 243 H GLY 33 HN GLY 33 11.440 13.385 3.368 244 1HA GLY 33 HA1 GLY 33 13.936 13.828 2.040 245 2HA GLY 33 HA2 GLY 33 13.501 14.389 3.649 246 H GLU 34 HN GLU 34 15.182 12.028 1.815 247 HA GLU 34 HA GLU 34 15.550 10.175 3.980 248 1HB GLU 34 HB1 GLU 34 16.333 10.358 1.144 249 2HB GLU 34 HB2 GLU 34 17.477 9.512 2.177 250 1HG GLU 34 HG1 GLU 34 15.673 8.035 2.939 251 2HG GLU 34 HG2 GLU 34 14.557 8.863 1.853 252 H VAL 35 HN VAL 35 17.273 9.920 5.298 253 HA VAL 35 HA VAL 35 19.505 11.806 5.043 254 HB VAL 35 HB VAL 35 18.393 11.077 7.696 255 1HG1 VAL 35 HG2 VAL 35 19.590 13.613 7.685 256 2HG1 VAL 35 HG2 VAL 35 20.655 12.552 6.763 257 3HG1 VAL 35 HG2 VAL 35 20.209 12.132 8.417 258 1HG2 VAL 35 HG1 VAL 35 16.583 12.293 7.228 259 2HG2 VAL 35 HG1 VAL 35 17.301 12.933 5.750 260 3HG2 VAL 35 HG1 VAL 35 17.660 13.688 7.302 261 H CYS 36 HN CYS 36 19.697 10.095 7.902 262 HA CYS 36 HA CYS 36 21.955 8.626 7.184 263 1HB CYS 36 HB2 CYS 36 20.154 8.788 9.510 264 2HB CYS 36 HB1 CYS 36 20.973 7.239 9.333 265 HG CYS 36 HG CYS 36 22.221 9.681 10.443 266 HA PRO 37 HA PRO 37 20.410 4.936 5.309 267 1HB PRO 37 HB1 PRO 37 21.948 2.964 6.328 268 2HB PRO 37 HB2 PRO 37 22.586 4.186 5.222 269 1HG PRO 37 HG2 PRO 37 22.769 4.053 8.211 270 2HG PRO 37 HG1 PRO 37 24.031 4.457 7.032 271 1HD PRO 37 HD2 PRO 37 22.668 6.342 8.431 272 2HD PRO 37 HD1 PRO 37 23.286 6.622 6.791 273 H VAL 38 HN VAL 38 19.410 5.704 8.200 274 HA VAL 38 HA VAL 38 18.723 3.326 9.516 275 HB VAL 38 HB VAL 38 17.080 5.851 9.584 276 1HG1 VAL 38 HG2 VAL 38 15.938 4.861 11.210 277 2HG1 VAL 38 HG2 VAL 38 17.424 4.485 12.084 278 3HG1 VAL 38 HG2 VAL 38 16.812 3.369 10.862 279 1HG2 VAL 38 HG1 VAL 38 19.204 6.678 10.027 280 2HG2 VAL 38 HG1 VAL 38 19.713 5.207 10.856 281 3HG2 VAL 38 HG1 VAL 38 18.581 6.312 11.636 282 HA PRO 39 HA PRO 39 14.441 3.526 7.229 283 1HB PRO 39 HB1 PRO 39 14.368 4.960 4.913 284 2HB PRO 39 HB2 PRO 39 13.901 5.624 6.483 285 1HG PRO 39 HG2 PRO 39 16.487 5.905 4.999 286 2HG PRO 39 HG1 PRO 39 15.561 7.137 5.876 287 1HD PRO 39 HD2 PRO 39 17.729 5.953 6.947 288 2HD PRO 39 HD1 PRO 39 16.335 6.435 7.937 289 H ASP 40 HN ASP 40 17.506 3.536 5.583 290 HA ASP 40 HA ASP 40 16.853 2.067 3.290 291 1HB ASP 40 HB1 ASP 40 19.364 2.494 4.865 292 2HB ASP 40 HB2 ASP 40 19.349 1.265 3.604 293 H VAL 41 HN VAL 41 18.103 0.935 6.428 294 HA VAL 41 HA VAL 41 17.767 -1.830 5.763 295 HB VAL 41 HB VAL 41 18.046 -0.731 8.551 296 1HG1 VAL 41 HG2 VAL 41 18.590 -3.357 7.219 297 2HG1 VAL 41 HG2 VAL 41 17.657 -3.020 8.678 298 3HG1 VAL 41 HG2 VAL 41 19.418 -2.910 8.711 299 1HG2 VAL 41 HG1 VAL 41 20.568 -1.509 7.513 300 2HG2 VAL 41 HG1 VAL 41 20.060 0.078 8.091 301 3HG2 VAL 41 HG1 VAL 41 19.851 -0.351 6.393 302 H GLU 42 HN GLU 42 15.724 0.643 6.949 303 HA GLU 42 HA GLU 42 13.895 -0.908 8.445 304 1HB GLU 42 HB1 GLU 42 14.057 1.572 8.548 305 2HB GLU 42 HB2 GLU 42 13.371 1.657 6.932 306 1HG GLU 42 HG2 GLU 42 11.291 0.815 7.667 307 2HG GLU 42 HG1 GLU 42 11.956 0.348 9.232 308 H THR 43 HN THR 43 13.533 0.455 5.162 309 HA THR 43 HA THR 43 11.208 -0.967 4.519 310 HB THR 43 HB THR 43 11.908 0.982 3.246 311 HG1 THR 43 HG1 THR 43 11.543 -1.457 1.951 312 1HG2 THR 43 HG2 THR 43 13.896 1.302 2.336 313 2HG2 THR 43 HG2 THR 43 13.871 -0.276 1.547 314 3HG2 THR 43 HG2 THR 43 14.431 -0.131 3.213 315 H LYS 44 HN LYS 44 14.619 -1.765 4.056 316 HA LYS 44 HA LYS 44 14.280 -4.074 2.499 317 1HB LYS 44 HB2 LYS 44 16.462 -3.035 2.781 318 2HB LYS 44 HB1 LYS 44 16.436 -3.384 4.504 319 1HG LYS 44 HG2 LYS 44 17.844 -4.999 3.562 320 2HG LYS 44 HG1 LYS 44 16.318 -5.834 3.861 321 1HD LYS 44 HD2 LYS 44 16.072 -6.308 1.699 322 2HD LYS 44 HD1 LYS 44 16.345 -4.626 1.240 323 1HE LYS 44 HE2 LYS 44 18.776 -5.985 2.086 324 2HE LYS 44 HE1 LYS 44 18.012 -6.747 0.691 325 1HZ LYS 44 HZ1 LYS 44 19.547 -5.086 -0.052 326 2HZ LYS 44 HZ2 LYS 44 18.832 -3.904 0.923 327 3HZ LYS 44 HZ3 LYS 44 17.978 -4.550 -0.388 328 H ARG 45 HN ARG 45 14.172 -3.537 5.968 329 HA ARG 45 HA ARG 45 14.080 -6.247 6.757 330 1HB ARG 45 HB1 ARG 45 14.575 -4.276 8.230 331 2HB ARG 45 HB2 ARG 45 12.858 -3.902 8.202 332 1HG ARG 45 HG2 ARG 45 13.294 -6.656 8.922 333 2HG ARG 45 HG1 ARG 45 14.196 -5.572 9.983 334 1HD ARG 45 HD1 ARG 45 11.742 -4.339 9.747 335 2HD ARG 45 HD2 ARG 45 11.331 -6.052 9.800 336 HE ARG 45 HE ARG 45 12.278 -4.454 11.960 337 1HH1 ARG 45 HH1 ARG 45 12.322 -7.681 10.645 338 2HH1 ARG 45 HH1 ARG 45 12.579 -8.441 12.180 339 1HH2 ARG 45 HH2 ARG 45 12.617 -5.447 13.984 340 2HH2 ARG 45 HH2 ARG 45 12.747 -7.171 14.077 341 H ALA 46 HN ALA 46 11.672 -3.984 5.639 342 HA ALA 46 HA ALA 46 9.348 -5.296 6.499 343 1HB ALA 46 HB1 ALA 46 8.385 -3.547 5.533 344 2HB ALA 46 HB2 ALA 46 8.924 -4.080 3.941 345 3HB ALA 46 HB3 ALA 46 9.966 -3.053 4.925 346 H LEU 47 HN LEU 47 11.100 -5.548 3.408 347 HA LEU 47 HA LEU 47 9.440 -7.455 2.211 348 1HB LEU 47 HB2 LEU 47 12.353 -6.809 1.845 349 2HB LEU 47 HB1 LEU 47 11.544 -8.039 0.896 350 HG LEU 47 HG LEU 47 11.568 -6.100 -0.445 351 1HD1 LEU 47 HD2 LEU 47 9.277 -7.345 0.092 352 2HD1 LEU 47 HD2 LEU 47 9.381 -5.984 -1.026 353 3HD1 LEU 47 HD2 LEU 47 8.838 -5.723 0.632 354 1HD2 LEU 47 HD1 LEU 47 10.835 -3.916 0.289 355 2HD2 LEU 47 HD1 LEU 47 12.119 -4.510 1.344 356 3HD2 LEU 47 HD1 LEU 47 10.441 -4.558 1.884 357 H GLN 48 HN GLN 48 12.129 -7.805 4.446 358 HA GLN 48 HA GLN 48 12.201 -10.677 4.202 359 1HB GLN 48 HB1 GLN 48 13.816 -8.613 5.430 360 2HB GLN 48 HB2 GLN 48 13.550 -9.946 6.546 361 1HG GLN 48 HG1 GLN 48 14.454 -11.515 4.966 362 2HG GLN 48 HG2 GLN 48 14.591 -10.256 3.740 363 1HE2 GLN 48 HE2 GLN 48 16.477 -12.071 5.402 364 2HE2 GLN 48 HE2 GLN 48 17.738 -10.984 5.865 365 H ASN 49 HN ASN 49 10.516 -8.367 6.130 366 HA ASN 49 HA ASN 49 9.473 -10.553 7.809 367 1HB ASN 49 HB2 ASN 49 10.855 -8.333 8.706 368 2HB ASN 49 HB1 ASN 49 9.172 -7.867 8.934 369 1HD2 ASN 49 HD2 ASN 49 11.737 -9.909 9.963 370 2HD2 ASN 49 HD2 ASN 49 10.918 -10.628 11.304 371 H MET 50 HN MET 50 8.233 -10.251 5.492 372 HA MET 50 HA MET 50 6.042 -8.364 5.740 373 1HB MET 50 HB1 MET 50 5.458 -8.950 3.525 374 2HB MET 50 HB2 MET 50 7.215 -8.922 3.554 375 1HG MET 50 HG1 MET 50 5.573 -11.426 3.823 376 2HG MET 50 HG2 MET 50 6.215 -10.823 2.296 377 1HE MET 50 HE1 MET 50 6.533 -13.236 4.851 378 2HE MET 50 HE2 MET 50 8.158 -13.881 4.616 379 3HE MET 50 HE3 MET 50 7.017 -13.856 3.272 380 H LYS 51 HN LYS 51 3.872 -8.912 5.940 381 HA LYS 51 HA LYS 51 3.393 -11.505 7.206 382 1HB LYS 51 HB2 LYS 51 2.659 -8.939 7.902 383 2HB LYS 51 HB1 LYS 51 1.187 -9.592 7.203 384 1HG LYS 51 HG1 LYS 51 0.800 -10.366 9.259 385 2HG LYS 51 HG2 LYS 51 1.963 -11.625 8.837 386 1HD LYS 51 HD2 LYS 51 3.545 -10.803 10.214 387 2HD LYS 51 HD1 LYS 51 3.146 -9.126 9.835 388 1HE LYS 51 HE1 LYS 51 0.941 -9.859 11.212 389 2HE LYS 51 HE2 LYS 51 2.155 -10.875 11.989 390 1HZ LYS 51 HZ1 LYS 51 1.964 -7.943 11.913 391 2HZ LYS 51 HZ2 LYS 51 3.483 -8.667 12.086 392 3HZ LYS 51 HZ3 LYS 51 2.269 -8.965 13.227 393 HA PRO 52 HA PRO 52 1.137 -13.569 4.056 394 1HB PRO 52 HB1 PRO 52 -1.220 -13.251 5.886 395 2HB PRO 52 HB2 PRO 52 -0.706 -14.666 4.960 396 1HG PRO 52 HG1 PRO 52 -0.148 -14.453 7.562 397 2HG PRO 52 HG2 PRO 52 1.013 -15.167 6.430 398 1HD PRO 52 HD1 PRO 52 1.106 -12.568 7.826 399 2HD PRO 52 HD2 PRO 52 2.431 -13.535 7.153 400 H GLY 53 HN GLY 53 -1.663 -11.836 5.303 401 1HA GLY 53 HA1 GLY 53 -1.954 -10.582 2.659 402 2HA GLY 53 HA2 GLY 53 -3.274 -10.947 3.757 403 H GLU 54 HN GLU 54 -0.231 -9.091 3.889 404 HA GLU 54 HA GLU 54 -1.598 -7.080 5.497 405 1HB GLU 54 HB2 GLU 54 1.181 -7.881 5.086 406 2HB GLU 54 HB1 GLU 54 0.958 -6.135 5.120 407 1HG GLU 54 HG1 GLU 54 -0.173 -7.939 7.226 408 2HG GLU 54 HG2 GLU 54 1.461 -7.284 7.321 409 H ILE 55 HN ILE 55 -1.395 -4.807 5.027 410 HA ILE 55 HA ILE 55 -1.137 -4.177 2.163 411 HB ILE 55 HB ILE 55 -3.109 -2.567 3.631 412 1HG1 ILE 55 HG1 ILE 55 -3.494 -4.940 4.474 413 2HG1 ILE 55 HG1 ILE 55 -4.872 -4.154 3.713 414 1HG2 ILE 55 HG2 ILE 55 -3.030 -3.898 0.933 415 2HG2 ILE 55 HG2 ILE 55 -2.767 -2.193 1.303 416 3HG2 ILE 55 HG2 ILE 55 -4.370 -2.901 1.505 417 1HD1 ILE 55 HD1 ILE 55 -3.658 -6.631 3.068 418 2HD1 ILE 55 HD1 ILE 55 -3.469 -5.544 1.693 419 3HD1 ILE 55 HD1 ILE 55 -5.075 -5.870 2.345 420 H LEU 56 HN LEU 56 0.344 -2.615 1.875 421 HA LEU 56 HA LEU 56 0.692 -0.621 4.008 422 1HB LEU 56 HB2 LEU 56 2.658 -2.454 2.843 423 2HB LEU 56 HB1 LEU 56 3.174 -0.777 2.854 424 HG LEU 56 HG LEU 56 2.657 -0.730 5.317 425 1HD1 LEU 56 HD2 LEU 56 2.911 -3.582 5.653 426 2HD1 LEU 56 HD2 LEU 56 1.452 -3.167 4.752 427 3HD1 LEU 56 HD2 LEU 56 1.736 -2.464 6.344 428 1HD2 LEU 56 HD1 LEU 56 4.661 -2.805 5.240 429 2HD2 LEU 56 HD1 LEU 56 4.830 -1.090 5.611 430 3HD2 LEU 56 HD1 LEU 56 4.894 -1.641 3.937 431 H GLU 57 HN GLU 57 1.819 1.337 3.287 432 HA GLU 57 HA GLU 57 1.251 1.968 0.467 433 1HB GLU 57 HB1 GLU 57 -0.319 3.058 2.098 434 2HB GLU 57 HB2 GLU 57 1.064 3.887 2.798 435 1HG GLU 57 HG2 GLU 57 1.476 5.037 0.715 436 2HG GLU 57 HG1 GLU 57 0.169 4.146 -0.062 437 H VAL 58 HN VAL 58 2.653 3.650 -0.445 438 HA VAL 58 HA VAL 58 5.190 3.985 0.989 439 HB VAL 58 HB VAL 58 5.065 3.179 -1.917 440 1HG1 VAL 58 HG2 VAL 58 7.513 2.994 -0.241 441 2HG1 VAL 58 HG2 VAL 58 7.006 4.587 -0.802 442 3HG1 VAL 58 HG2 VAL 58 7.346 3.308 -1.968 443 1HG2 VAL 58 HG1 VAL 58 4.737 1.097 -1.183 444 2HG2 VAL 58 HG1 VAL 58 4.981 1.572 0.497 445 3HG2 VAL 58 HG1 VAL 58 6.368 1.177 -0.517 446 H TRP 59 HN TRP 59 5.542 6.085 1.161 447 HA TRP 59 HA TRP 59 4.848 7.814 -1.130 448 1HB TRP 59 HB1 TRP 59 3.446 8.079 1.001 449 2HB TRP 59 HB2 TRP 59 4.900 8.743 1.739 450 HD1 TRP 59 HD1 TRP 59 4.847 9.867 -1.756 451 HE1 TRP 59 HE1 TRP 59 3.937 12.268 -1.935 452 HE3 TRP 59 HE3 TRP 59 2.848 10.330 2.928 453 HZ2 TRP 59 HZ2 TRP 59 2.555 14.113 -0.308 454 HZ3 TRP 59 HZ3 TRP 59 1.749 12.446 3.536 455 HH2 TRP 59 HH2 TRP 59 1.607 14.297 1.952 456 H ILE 60 HN ILE 60 6.736 8.196 -2.118 457 HA ILE 60 HA ILE 60 8.809 9.605 -0.675 458 HB ILE 60 HB ILE 60 10.449 7.819 -1.880 459 1HG1 ILE 60 HG1 ILE 60 9.615 5.549 -1.164 460 2HG1 ILE 60 HG1 ILE 60 8.035 6.282 -0.903 461 1HG2 ILE 60 HG2 ILE 60 11.188 7.376 0.221 462 2HG2 ILE 60 HG2 ILE 60 9.565 7.104 0.856 463 3HG2 ILE 60 HG2 ILE 60 10.143 8.748 0.586 464 1HD1 ILE 60 HD1 ILE 60 9.495 6.227 -3.531 465 2HD1 ILE 60 HD1 ILE 60 7.867 6.840 -3.240 466 3HD1 ILE 60 HD1 ILE 60 8.207 5.120 -3.054 467 H ASP 61 HN ASP 61 10.846 9.620 -2.349 468 HA ASP 61 HA ASP 61 9.726 10.710 -4.831 469 1HB ASP 61 HB2 ASP 61 11.377 11.971 -3.211 470 2HB ASP 61 HB1 ASP 61 12.602 11.021 -4.046 471 H TYR 62 HN TYR 62 11.637 8.165 -3.533 472 HA TYR 62 HA TYR 62 12.308 7.238 -6.249 473 1HB TYR 62 HB2 TYR 62 13.759 6.960 -3.632 474 2HB TYR 62 HB1 TYR 62 14.016 5.786 -4.919 475 HD1 TYR 62 HD1 TYR 62 15.048 6.486 -7.047 476 HD2 TYR 62 HD2 TYR 62 14.653 9.180 -3.779 477 HE1 TYR 62 HE1 TYR 62 16.694 7.984 -8.092 478 HE2 TYR 62 HE2 TYR 62 16.297 10.686 -4.813 479 HH TYR 62 HH TYR 62 17.190 11.169 -7.066 480 HA PRO 63 HA PRO 63 8.999 4.289 -5.438 481 1HB PRO 63 HB2 PRO 63 10.502 2.948 -7.648 482 2HB PRO 63 HB1 PRO 63 8.761 3.184 -7.455 483 1HG PRO 63 HG1 PRO 63 10.150 4.725 -9.115 484 2HG PRO 63 HG2 PRO 63 8.860 5.411 -8.112 485 1HD PRO 63 HD2 PRO 63 11.813 5.638 -7.819 486 2HD PRO 63 HD1 PRO 63 10.543 6.804 -7.402 487 H MET 64 HN MET 64 9.574 3.405 -3.471 488 HA MET 64 HA MET 64 11.842 1.740 -3.074 489 1HB MET 64 HB2 MET 64 9.762 2.853 -1.480 490 2HB MET 64 HB1 MET 64 9.788 1.119 -1.189 491 1HG MET 64 HG2 MET 64 11.217 2.017 0.416 492 2HG MET 64 HG1 MET 64 12.288 1.374 -0.828 493 1HE MET 64 HE1 MET 64 14.621 3.735 -1.435 494 2HE MET 64 HE2 MET 64 13.535 3.813 -2.822 495 3HE MET 64 HE3 MET 64 13.772 2.285 -1.973 496 H SER 65 HN SER 65 8.623 1.218 -4.230 497 HA SER 65 HA SER 65 8.402 -1.548 -3.761 498 1HB SER 65 HB2 SER 65 6.902 -1.247 -5.984 499 2HB SER 65 HB1 SER 65 6.358 -0.743 -4.385 500 HG SER 65 HG SER 65 6.154 0.875 -6.069 501 H LYS 66 HN LYS 66 10.444 0.187 -5.824 502 HA LYS 66 HA LYS 66 10.681 -1.510 -8.034 503 1HB LYS 66 HB2 LYS 66 12.683 -0.384 -8.537 504 2HB LYS 66 HB1 LYS 66 11.722 0.806 -7.670 505 1HG LYS 66 HG2 LYS 66 13.349 1.080 -6.200 506 2HG LYS 66 HG1 LYS 66 13.286 -0.633 -5.780 507 1HD LYS 66 HD1 LYS 66 15.453 -0.479 -6.503 508 2HD LYS 66 HD2 LYS 66 14.650 -0.886 -8.021 509 1HE LYS 66 HE2 LYS 66 16.220 0.939 -8.349 510 2HE LYS 66 HE1 LYS 66 14.565 1.490 -8.608 511 1HZ LYS 66 HZ1 LYS 66 16.439 2.596 -6.917 512 2HZ LYS 66 HZ2 LYS 66 15.325 1.834 -5.898 513 3HZ LYS 66 HZ3 LYS 66 14.797 2.990 -7.013 514 H GLU 67 HN GLU 67 11.936 -1.748 -4.793 515 HA GLU 67 HA GLU 67 13.511 -4.117 -5.478 516 1HB GLU 67 HB1 GLU 67 13.814 -2.061 -3.565 517 2HB GLU 67 HB2 GLU 67 13.467 -3.528 -2.661 518 1HG GLU 67 HG2 GLU 67 15.474 -4.397 -3.079 519 2HG GLU 67 HG1 GLU 67 15.427 -3.923 -4.776 520 H ARG 68 HN ARG 68 10.573 -3.093 -3.976 521 HA ARG 68 HA ARG 68 9.963 -5.353 -2.442 522 1HB ARG 68 HB1 ARG 68 8.395 -3.147 -3.686 523 2HB ARG 68 HB2 ARG 68 7.509 -4.562 -3.133 524 1HG ARG 68 HG2 ARG 68 8.039 -4.197 -0.918 525 2HG ARG 68 HG1 ARG 68 9.457 -3.221 -1.311 526 1HD ARG 68 HD2 ARG 68 8.259 -1.325 -1.503 527 2HD ARG 68 HD1 ARG 68 6.900 -2.143 -2.273 528 HE ARG 68 HE ARG 68 5.925 -2.418 -0.209 529 1HH1 ARG 68 HH1 ARG 68 9.223 -1.365 0.190 530 2HH1 ARG 68 HH1 ARG 68 9.057 -1.064 1.887 531 1HH2 ARG 68 HH2 ARG 68 5.699 -2.022 2.028 532 2HH2 ARG 68 HH2 ARG 68 7.056 -1.437 2.930 533 H ILE 69 HN ILE 69 9.419 -4.668 -5.876 534 HA ILE 69 HA ILE 69 7.796 -6.883 -6.431 535 HB ILE 69 HB ILE 69 9.709 -5.587 -8.363 536 1HG1 ILE 69 HG1 ILE 69 6.838 -4.821 -8.255 537 2HG1 ILE 69 HG1 ILE 69 7.873 -4.202 -6.972 538 1HG2 ILE 69 HG2 ILE 69 7.176 -7.170 -8.755 539 2HG2 ILE 69 HG2 ILE 69 8.810 -7.648 -9.213 540 3HG2 ILE 69 HG2 ILE 69 8.023 -6.301 -10.034 541 1HD1 ILE 69 HD1 ILE 69 9.358 -3.234 -8.672 542 2HD1 ILE 69 HD1 ILE 69 7.715 -2.598 -8.756 543 3HD1 ILE 69 HD1 ILE 69 8.256 -3.801 -9.927 544 HA PRO 70 HA PRO 70 12.009 -9.095 -7.943 545 1HB PRO 70 HB2 PRO 70 13.620 -7.861 -5.745 546 2HB PRO 70 HB1 PRO 70 14.139 -8.420 -7.341 547 1HG PRO 70 HG2 PRO 70 13.801 -5.826 -6.857 548 2HG PRO 70 HG1 PRO 70 13.320 -6.530 -8.412 549 1HD PRO 70 HD2 PRO 70 11.630 -5.627 -6.137 550 2HD PRO 70 HD1 PRO 70 11.275 -5.639 -7.875 551 H GLU 71 HN GLU 71 11.411 -8.203 -4.553 552 HA GLU 71 HA GLU 71 12.096 -10.745 -3.481 553 1HB GLU 71 HB1 GLU 71 10.842 -8.255 -2.495 554 2HB GLU 71 HB2 GLU 71 10.406 -9.717 -1.622 555 1HG GLU 71 HG1 GLU 71 12.252 -8.765 -0.501 556 2HG GLU 71 HG2 GLU 71 12.850 -10.181 -1.364 557 H THR 72 HN THR 72 8.954 -9.198 -4.112 558 HA THR 72 HA THR 72 7.361 -11.340 -3.324 559 HB THR 72 HB THR 72 6.521 -9.492 -5.533 560 HG1 THR 72 HG1 THR 72 6.276 -7.859 -4.098 561 1HG2 THR 72 HG2 THR 72 4.394 -9.682 -4.711 562 2HG2 THR 72 HG2 THR 72 4.941 -10.119 -3.092 563 3HG2 THR 72 HG2 THR 72 5.034 -11.297 -4.402 564 H VAL 73 HN VAL 73 8.752 -10.636 -6.532 565 HA VAL 73 HA VAL 73 7.340 -12.634 -7.892 566 HB VAL 73 HB VAL 73 8.916 -12.351 -9.665 567 1HG1 VAL 73 HG2 VAL 73 8.688 -9.642 -8.414 568 2HG1 VAL 73 HG2 VAL 73 7.312 -10.487 -9.122 569 3HG1 VAL 73 HG2 VAL 73 8.695 -10.056 -10.128 570 1HG2 VAL 73 HG1 VAL 73 10.810 -10.512 -8.770 571 2HG2 VAL 73 HG1 VAL 73 11.082 -12.192 -9.232 572 3HG2 VAL 73 HG1 VAL 73 10.756 -11.783 -7.548 573 H LYS 74 HN LYS 74 10.227 -12.696 -5.926 574 HA LYS 74 HA LYS 74 11.284 -15.170 -6.727 575 1HB LYS 74 HB2 LYS 74 11.960 -13.291 -4.850 576 2HB LYS 74 HB1 LYS 74 11.387 -14.610 -3.838 577 1HG LYS 74 HG1 LYS 74 13.410 -15.497 -4.015 578 2HG LYS 74 HG2 LYS 74 13.037 -15.835 -5.708 579 1HD LYS 74 HD2 LYS 74 14.318 -14.128 -6.470 580 2HD LYS 74 HD1 LYS 74 13.946 -13.092 -5.090 581 1HE LYS 74 HE1 LYS 74 16.100 -13.529 -4.561 582 2HE LYS 74 HE2 LYS 74 15.385 -14.972 -3.844 583 1HZ LYS 74 HZ1 LYS 74 17.391 -15.025 -5.596 584 2HZ LYS 74 HZ2 LYS 74 16.079 -15.190 -6.649 585 3HZ LYS 74 HZ3 LYS 74 16.297 -16.298 -5.389 586 H LYS 75 HN LYS 75 8.822 -14.298 -4.352 587 HA LYS 75 HA LYS 75 8.195 -17.103 -3.880 588 1HB LYS 75 HB1 LYS 75 6.412 -16.080 -2.340 589 2HB LYS 75 HB2 LYS 75 8.097 -15.909 -1.878 590 1HG LYS 75 HG2 LYS 75 7.316 -13.667 -3.474 591 2HG LYS 75 HG1 LYS 75 6.166 -13.896 -2.158 592 1HD LYS 75 HD1 LYS 75 8.853 -14.244 -1.202 593 2HD LYS 75 HD2 LYS 75 8.690 -12.691 -2.025 594 1HE LYS 75 HE2 LYS 75 7.112 -11.914 -0.539 595 2HE LYS 75 HE1 LYS 75 6.596 -13.536 -0.077 596 1HZ LYS 75 HZ1 LYS 75 7.880 -13.300 1.700 597 2HZ LYS 75 HZ2 LYS 75 8.574 -11.873 1.112 598 3HZ LYS 75 HZ3 LYS 75 9.230 -13.373 0.683 599 H LEU 76 HN LEU 76 5.970 -14.357 -4.400 600 HA LEU 76 HA LEU 76 4.365 -16.100 -6.134 601 1HB LEU 76 HB1 LEU 76 2.795 -13.925 -5.779 602 2HB LEU 76 HB2 LEU 76 2.740 -15.356 -4.765 603 HG LEU 76 HG LEU 76 4.608 -13.159 -4.004 604 1HD1 LEU 76 HD2 LEU 76 2.689 -12.166 -2.681 605 2HD1 LEU 76 HD2 LEU 76 1.616 -13.063 -3.756 606 3HD1 LEU 76 HD2 LEU 76 2.702 -11.839 -4.415 607 1HD2 LEU 76 HD1 LEU 76 3.159 -15.403 -2.713 608 2HD2 LEU 76 HD1 LEU 76 3.470 -13.963 -1.744 609 3HD2 LEU 76 HD1 LEU 76 4.813 -14.838 -2.480 610 H GLY 77 HN GLY 77 3.999 -12.665 -6.192 611 1HA GLY 77 HA2 GLY 77 5.564 -12.402 -8.646 612 2HA GLY 77 HA1 GLY 77 3.841 -12.061 -8.738 613 H HIS 78 HN HIS 78 2.995 -10.281 -7.543 614 HA HIS 78 HA HIS 78 4.899 -8.477 -6.299 615 1HB HIS 78 HB1 HIS 78 3.572 -6.646 -7.815 616 2HB HIS 78 HB2 HIS 78 5.158 -7.298 -8.212 617 HD2 HIS 78 HD2 HIS 78 5.058 -7.589 -10.881 618 HE1 HIS 78 HE1 HIS 78 1.324 -9.578 -11.056 619 HE2 HIS 78 HE2 HIS 78 3.326 -8.786 -12.398 620 H GLU 79 HN GLU 79 3.895 -6.814 -5.034 621 HA GLU 79 HA GLU 79 1.181 -7.525 -4.218 622 1HB GLU 79 HB2 GLU 79 2.992 -5.660 -2.722 623 2HB GLU 79 HB1 GLU 79 1.719 -6.697 -2.101 624 1HG GLU 79 HG2 GLU 79 3.104 -8.418 -1.804 625 2HG GLU 79 HG1 GLU 79 3.903 -8.163 -3.355 626 H VAL 80 HN VAL 80 0.755 -6.333 -6.387 627 HA VAL 80 HA VAL 80 0.771 -3.430 -6.043 628 HB VAL 80 HB VAL 80 -0.348 -4.342 -8.556 629 1HG1 VAL 80 HG1 VAL 80 0.506 -2.082 -8.076 630 2HG1 VAL 80 HG1 VAL 80 1.294 -2.816 -9.473 631 3HG1 VAL 80 HG1 VAL 80 2.132 -2.748 -7.923 632 1HG2 VAL 80 HG2 VAL 80 2.534 -5.093 -8.173 633 2HG2 VAL 80 HG2 VAL 80 1.451 -5.501 -9.504 634 3HG2 VAL 80 HG2 VAL 80 1.234 -6.259 -7.926 635 H LEU 81 HN LEU 81 -0.984 -2.324 -5.539 636 HA LEU 81 HA LEU 81 -3.609 -3.505 -6.064 637 1HB LEU 81 HB1 LEU 81 -4.415 -3.100 -3.923 638 2HB LEU 81 HB2 LEU 81 -2.802 -3.723 -3.639 639 HG LEU 81 HG LEU 81 -2.363 -1.014 -3.742 640 1HD1 LEU 81 HD1 LEU 81 -4.962 -1.464 -2.284 641 2HD1 LEU 81 HD1 LEU 81 -4.785 -0.596 -3.809 642 3HD1 LEU 81 HD1 LEU 81 -4.036 0.036 -2.342 643 1HD2 LEU 81 HD2 LEU 81 -1.857 -3.019 -2.034 644 2HD2 LEU 81 HD2 LEU 81 -3.059 -2.127 -1.101 645 3HD2 LEU 81 HD2 LEU 81 -1.587 -1.320 -1.645 646 H GLU 82 HN GLU 82 -1.679 -0.623 -5.501 647 HA GLU 82 HA GLU 82 -3.424 0.840 -7.291 648 1HB GLU 82 HB2 GLU 82 -4.156 1.008 -4.718 649 2HB GLU 82 HB1 GLU 82 -2.956 2.294 -4.749 650 1HG GLU 82 HG2 GLU 82 -4.408 2.826 -6.991 651 2HG GLU 82 HG1 GLU 82 -5.633 2.176 -5.903 652 H ILE 83 HN ILE 83 -2.553 2.781 -8.081 653 HA ILE 83 HA ILE 83 0.162 3.502 -7.288 654 HB ILE 83 HB ILE 83 -0.578 2.733 -10.114 655 1HG1 ILE 83 HG1 ILE 83 1.853 1.568 -9.224 656 2HG1 ILE 83 HG1 ILE 83 0.663 1.322 -7.950 657 1HG2 ILE 83 HG2 ILE 83 1.689 3.420 -10.731 658 2HG2 ILE 83 HG2 ILE 83 1.954 4.014 -9.091 659 3HG2 ILE 83 HG2 ILE 83 0.742 4.777 -10.121 660 1HD1 ILE 83 HD1 ILE 83 0.258 0.579 -10.835 661 2HD1 ILE 83 HD1 ILE 83 -0.827 0.231 -9.488 662 3HD1 ILE 83 HD1 ILE 83 0.761 -0.533 -9.561 663 H GLU 84 HN GLU 84 0.514 5.672 -7.415 664 HA GLU 84 HA GLU 84 -1.016 7.353 -9.185 665 1HB GLU 84 HB1 GLU 84 -1.801 8.764 -7.159 666 2HB GLU 84 HB2 GLU 84 -2.716 7.330 -7.601 667 1HG GLU 84 HG2 GLU 84 -1.758 6.074 -5.823 668 2HG GLU 84 HG1 GLU 84 -0.596 7.353 -5.470 669 H GLU 85 HN GLU 85 -0.600 9.771 -8.411 670 HA GLU 85 HA GLU 85 2.200 10.014 -7.548 671 1HB GLU 85 HB1 GLU 85 2.598 11.701 -9.292 672 2HB GLU 85 HB2 GLU 85 2.193 10.137 -9.985 673 1HG GLU 85 HG1 GLU 85 -0.254 11.343 -9.800 674 2HG GLU 85 HG2 GLU 85 0.811 12.695 -10.183 675 H VAL 86 HN VAL 86 2.753 12.347 -7.035 676 HA VAL 86 HA VAL 86 0.414 13.772 -5.953 677 HB VAL 86 HB VAL 86 2.700 14.267 -4.302 678 1HG1 VAL 86 HG1 VAL 86 0.085 14.351 -3.968 679 2HG1 VAL 86 HG1 VAL 86 1.177 14.079 -2.610 680 3HG1 VAL 86 HG1 VAL 86 0.345 12.716 -3.359 681 1HG2 VAL 86 HG2 VAL 86 3.615 12.155 -4.776 682 2HG2 VAL 86 HG2 VAL 86 2.034 11.374 -4.760 683 3HG2 VAL 86 HG2 VAL 86 2.748 11.949 -3.253 684 H GLY 87 HN GLY 87 3.939 14.165 -6.394 685 1HA GLY 87 HA1 GLY 87 3.371 16.846 -7.495 686 2HA GLY 87 HA2 GLY 87 4.722 16.542 -6.415 687 HA PRO 88 HA PRO 88 6.460 16.440 -10.681 688 1HB PRO 88 HB1 PRO 88 8.909 17.117 -9.174 689 2HB PRO 88 HB2 PRO 88 8.201 17.908 -10.585 690 1HG PRO 88 HG2 PRO 88 8.099 19.040 -8.163 691 2HG PRO 88 HG1 PRO 88 6.753 19.184 -9.310 692 1HD PRO 88 HD2 PRO 88 7.027 17.401 -6.919 693 2HD PRO 88 HD1 PRO 88 5.610 18.305 -7.495 694 H SER 89 HN SER 89 8.899 15.659 -8.228 695 HA SER 89 HA SER 89 9.310 13.090 -9.563 696 1HB SER 89 HB2 SER 89 11.179 13.866 -7.420 697 2HB SER 89 HB1 SER 89 11.512 13.279 -9.049 698 HG SER 89 HG SER 89 12.173 15.389 -8.971 699 H GLU 90 HN GLU 90 7.625 14.245 -7.006 700 HA GLU 90 HA GLU 90 8.098 11.949 -5.258 701 1HB GLU 90 HB2 GLU 90 6.235 13.205 -3.899 702 2HB GLU 90 HB1 GLU 90 7.891 13.796 -3.892 703 1HG GLU 90 HG1 GLU 90 7.204 15.334 -5.781 704 2HG GLU 90 HG2 GLU 90 5.541 14.878 -5.413 705 H TRP 91 HN TRP 91 6.878 10.175 -5.372 706 HA TRP 91 HA TRP 91 4.182 10.408 -6.534 707 1HB TRP 91 HB2 TRP 91 6.041 8.082 -7.040 708 2HB TRP 91 HB1 TRP 91 4.489 8.402 -7.807 709 HD1 TRP 91 HD1 TRP 91 4.608 11.067 -9.092 710 HE1 TRP 91 HE1 TRP 91 6.397 11.765 -10.806 711 HE3 TRP 91 HE3 TRP 91 8.240 7.673 -7.902 712 HZ2 TRP 91 HZ2 TRP 91 9.005 10.980 -11.553 713 HZ3 TRP 91 HZ3 TRP 91 10.351 7.712 -9.164 714 HH2 TRP 91 HH2 TRP 91 10.725 9.332 -10.952 715 H LYS 92 HN LYS 92 2.843 8.418 -6.095 716 HA LYS 92 HA LYS 92 3.440 7.336 -3.422 717 1HB LYS 92 HB1 LYS 92 1.157 8.870 -4.327 718 2HB LYS 92 HB2 LYS 92 0.653 7.290 -3.742 719 1HG LYS 92 HG1 LYS 92 1.905 7.730 -1.643 720 2HG LYS 92 HG2 LYS 92 2.228 9.362 -2.232 721 1HD LYS 92 HD1 LYS 92 -0.277 9.633 -2.469 722 2HD LYS 92 HD2 LYS 92 -0.433 8.127 -1.561 723 1HE LYS 92 HE2 LYS 92 -0.342 9.344 0.297 724 2HE LYS 92 HE1 LYS 92 1.352 9.655 -0.079 725 1HZ LYS 92 HZ1 LYS 92 0.805 11.678 -1.121 726 2HZ LYS 92 HZ2 LYS 92 -0.071 11.665 0.325 727 3HZ LYS 92 HZ3 LYS 92 -0.851 11.329 -1.138 728 H ILE 93 HN ILE 93 3.292 5.183 -3.207 729 HA ILE 93 HA ILE 93 2.059 3.652 -5.401 730 HB ILE 93 HB ILE 93 4.477 2.725 -3.858 731 1HG1 ILE 93 HG1 ILE 93 4.951 3.426 -6.645 732 2HG1 ILE 93 HG1 ILE 93 4.459 4.822 -5.689 733 1HG2 ILE 93 HG2 ILE 93 3.441 1.789 -6.522 734 2HG2 ILE 93 HG2 ILE 93 2.966 1.061 -4.989 735 3HG2 ILE 93 HG2 ILE 93 4.655 1.022 -5.497 736 1HD1 ILE 93 HD1 ILE 93 6.473 4.978 -4.800 737 2HD1 ILE 93 HD1 ILE 93 7.002 3.683 -5.876 738 3HD1 ILE 93 HD1 ILE 93 6.415 3.301 -4.257 739 H TYR 94 HN TYR 94 1.001 1.749 -4.835 740 HA TYR 94 HA TYR 94 0.568 1.371 -1.946 741 1HB TYR 94 HB1 TYR 94 -1.359 1.285 -4.244 742 2HB TYR 94 HB2 TYR 94 -1.685 0.363 -2.781 743 HD1 TYR 94 HD1 TYR 94 -1.068 3.792 -4.051 744 HD2 TYR 94 HD2 TYR 94 -2.577 1.403 -0.870 745 HE1 TYR 94 HE1 TYR 94 -2.018 5.802 -3.001 746 HE2 TYR 94 HE2 TYR 94 -3.531 3.407 0.190 747 HH TYR 94 HH TYR 94 -4.086 5.596 -0.171 748 H ILE 95 HN ILE 95 1.223 -0.487 -1.188 749 HA ILE 95 HA ILE 95 1.526 -2.781 -3.016 750 HB ILE 95 HB ILE 95 3.267 -1.833 -0.737 751 1HG1 ILE 95 HG1 ILE 95 3.619 -0.772 -2.944 752 2HG1 ILE 95 HG1 ILE 95 5.014 -1.715 -2.426 753 1HG2 ILE 95 HG2 ILE 95 4.535 -4.016 -1.889 754 2HG2 ILE 95 HG2 ILE 95 2.860 -4.529 -1.688 755 3HG2 ILE 95 HG2 ILE 95 3.776 -3.949 -0.298 756 1HD1 ILE 95 HD1 ILE 95 4.970 -2.689 -4.408 757 2HD1 ILE 95 HD1 ILE 95 3.412 -1.960 -4.799 758 3HD1 ILE 95 HD1 ILE 95 3.474 -3.484 -3.915 759 H LYS 96 HN LYS 96 1.103 -4.893 -2.146 760 HA LYS 96 HA LYS 96 -0.008 -5.019 0.547 761 1HB LYS 96 HB2 LYS 96 -2.020 -4.407 -0.400 762 2HB LYS 96 HB1 LYS 96 -1.659 -5.184 -1.935 763 1HG LYS 96 HG1 LYS 96 -1.819 -7.178 0.101 764 2HG LYS 96 HG2 LYS 96 -3.249 -6.147 0.174 765 1HD LYS 96 HD1 LYS 96 -2.758 -6.635 -2.550 766 2HD LYS 96 HD2 LYS 96 -2.584 -8.187 -1.726 767 1HE LYS 96 HE2 LYS 96 -4.875 -6.711 -0.752 768 2HE LYS 96 HE1 LYS 96 -4.958 -6.962 -2.496 769 1HZ LYS 96 HZ1 LYS 96 -5.089 -9.211 -2.262 770 2HZ LYS 96 HZ2 LYS 96 -5.856 -8.746 -0.827 771 3HZ LYS 96 HZ3 LYS 96 -4.238 -9.239 -0.800 772 H VAL 97 HN VAL 97 1.172 -6.654 1.308 773 HA VAL 97 HA VAL 97 2.178 -8.809 -0.177 774 HB VAL 97 HB VAL 97 1.565 -9.200 2.717 775 1HG1 VAL 97 HG2 VAL 97 4.197 -9.624 1.369 776 2HG1 VAL 97 HG2 VAL 97 2.876 -10.759 1.096 777 3HG1 VAL 97 HG2 VAL 97 3.481 -10.487 2.731 778 1HG2 VAL 97 HG1 VAL 97 2.779 -6.829 1.744 779 2HG2 VAL 97 HG1 VAL 97 4.030 -7.806 2.514 780 3HG2 VAL 97 HG1 VAL 97 2.579 -7.357 3.414 781 H LYS 98 HN LYS 98 1.138 -10.439 -1.090 782 HA LYS 98 HA LYS 98 -1.592 -11.051 -0.326 783 1HB LYS 98 HB1 LYS 98 -0.185 -11.104 -2.725 784 2HB LYS 98 HB2 LYS 98 -0.406 -12.803 -2.327 785 1HG LYS 98 HG1 LYS 98 -2.875 -11.528 -1.857 786 2HG LYS 98 HG2 LYS 98 -2.280 -10.953 -3.416 787 1HD LYS 98 HD2 LYS 98 -3.465 -12.869 -3.983 788 2HD LYS 98 HD1 LYS 98 -1.799 -13.444 -3.894 789 1HE LYS 98 HE1 LYS 98 -2.815 -15.066 -2.658 790 2HE LYS 98 HE2 LYS 98 -2.470 -13.902 -1.379 791 1HZ LYS 98 HZ1 LYS 98 -5.040 -14.531 -2.666 792 2HZ LYS 98 HZ2 LYS 98 -4.803 -13.007 -1.971 793 3HZ LYS 98 HZ3 LYS 98 -4.672 -14.399 -1.020 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -38.103 8.251 -14.213 2 2H GLY 1 HT2 GLY 1 -37.589 7.226 -12.969 3 3H GLY 1 HT3 GLY 1 -38.849 6.749 -13.991 4 1HA GLY 1 HA1 GLY 1 -36.830 7.271 -15.729 5 2HA GLY 1 HA2 GLY 1 -36.011 6.537 -14.358 6 H SER 2 HN SER 2 -35.499 4.721 -15.660 7 HA SER 2 HA SER 2 -37.633 3.118 -16.762 8 1HB SER 2 HB2 SER 2 -34.913 1.964 -16.470 9 2HB SER 2 HB1 SER 2 -35.997 1.961 -17.861 10 HG SER 2 HG SER 2 -35.349 3.999 -18.374 11 H SER 3 HN SER 3 -37.223 0.593 -16.255 12 HA SER 3 HA SER 3 -37.689 0.363 -13.373 13 1HB SER 3 HB2 SER 3 -38.968 -1.550 -13.812 14 2HB SER 3 HB1 SER 3 -39.316 -0.518 -15.200 15 HG SER 3 HG SER 3 -38.153 -2.953 -15.130 16 H HIS 4 HN HIS 4 -36.676 -1.244 -12.121 17 HA HIS 4 HA HIS 4 -33.941 -1.691 -12.764 18 1HB HIS 4 HB1 HIS 4 -35.672 -2.792 -10.540 19 2HB HIS 4 HB2 HIS 4 -33.929 -3.023 -10.646 20 HD2 HIS 4 HD2 HIS 4 -36.457 -0.038 -10.196 21 HE1 HIS 4 HE1 HIS 4 -32.674 1.007 -8.610 22 HE2 HIS 4 HE2 HIS 4 -35.082 1.745 -8.907 23 H HIS 5 HN HIS 5 -36.834 -3.705 -12.780 24 HA HIS 5 HA HIS 5 -35.505 -6.155 -13.294 25 1HB HIS 5 HB2 HIS 5 -38.358 -5.338 -13.887 26 2HB HIS 5 HB1 HIS 5 -37.745 -6.988 -13.925 27 HD2 HIS 5 HD2 HIS 5 -36.038 -6.549 -11.010 28 HE1 HIS 5 HE1 HIS 5 -39.999 -6.219 -9.554 29 HE2 HIS 5 HE2 HIS 5 -37.576 -6.620 -8.921 30 H HIS 6 HN HIS 6 -34.413 -6.667 -15.055 31 HA HIS 6 HA HIS 6 -35.423 -5.763 -17.664 32 1HB HIS 6 HB2 HIS 6 -32.816 -5.809 -18.221 33 2HB HIS 6 HB1 HIS 6 -33.610 -4.366 -17.601 34 HD2 HIS 6 HD2 HIS 6 -31.567 -3.338 -16.150 35 HE1 HIS 6 HE1 HIS 6 -30.905 -6.768 -13.759 36 HE2 HIS 6 HE2 HIS 6 -30.288 -4.335 -14.124 37 H HIS 7 HN HIS 7 -34.755 -7.105 -19.469 38 HA HIS 7 HA HIS 7 -34.719 -9.906 -18.719 39 1HB HIS 7 HB1 HIS 7 -36.040 -8.614 -20.675 40 2HB HIS 7 HB2 HIS 7 -34.614 -9.114 -21.578 41 HD2 HIS 7 HD2 HIS 7 -35.891 -11.044 -23.046 42 HE1 HIS 7 HE1 HIS 7 -37.057 -13.398 -19.725 43 HE2 HIS 7 HE2 HIS 7 -36.912 -13.296 -22.256 44 H HIS 8 HN HIS 8 -32.414 -9.213 -17.853 45 HA HIS 8 HA HIS 8 -30.512 -10.206 -19.848 46 1HB HIS 8 HB1 HIS 8 -30.568 -7.531 -18.836 47 2HB HIS 8 HB2 HIS 8 -29.125 -8.331 -18.220 48 HD2 HIS 8 HD2 HIS 8 -29.006 -5.963 -20.535 49 HE1 HIS 8 HE1 HIS 8 -27.842 -9.206 -22.995 50 HE2 HIS 8 HE2 HIS 8 -27.881 -6.680 -22.761 51 H HIS 9 HN HIS 9 -28.222 -10.183 -18.375 52 HA HIS 9 HA HIS 9 -28.905 -11.846 -16.041 53 1HB HIS 9 HB2 HIS 9 -27.954 -13.095 -18.002 54 2HB HIS 9 HB1 HIS 9 -26.474 -12.160 -17.811 55 HD2 HIS 9 HD2 HIS 9 -24.734 -13.930 -16.801 56 HE1 HIS 9 HE1 HIS 9 -27.248 -15.479 -13.768 57 HE2 HIS 9 HE2 HIS 9 -24.916 -15.527 -14.764 58 H SER 10 HN SER 10 -28.677 -10.299 -14.469 59 HA SER 10 HA SER 10 -26.335 -8.611 -14.364 60 1HB SER 10 HB1 SER 10 -28.194 -7.503 -13.506 61 2HB SER 10 HB2 SER 10 -28.799 -8.941 -12.684 62 HG SER 10 HG SER 10 -27.698 -8.393 -10.989 63 H SER 11 HN SER 11 -24.478 -9.630 -13.911 64 HA SER 11 HA SER 11 -24.357 -11.875 -12.122 65 1HB SER 11 HB2 SER 11 -22.884 -11.491 -14.180 66 2HB SER 11 HB1 SER 11 -21.994 -10.332 -13.193 67 HG SER 11 HG SER 11 -22.411 -12.759 -11.977 68 H GLY 12 HN GLY 12 -22.055 -9.208 -11.967 69 1HA GLY 12 HA1 GLY 12 -22.246 -9.264 -9.062 70 2HA GLY 12 HA2 GLY 12 -21.029 -8.426 -10.011 71 H LEU 13 HN LEU 13 -23.970 -8.154 -8.311 72 HA LEU 13 HA LEU 13 -24.530 -5.497 -9.393 73 1HB LEU 13 HB2 LEU 13 -26.337 -7.247 -8.970 74 2HB LEU 13 HB1 LEU 13 -26.088 -6.946 -7.261 75 HG LEU 13 HG LEU 13 -26.613 -4.502 -7.757 76 1HD1 LEU 13 HD2 LEU 13 -26.315 -4.457 -10.127 77 2HD1 LEU 13 HD2 LEU 13 -28.019 -4.160 -9.787 78 3HD1 LEU 13 HD2 LEU 13 -27.497 -5.746 -10.353 79 1HD2 LEU 13 HD1 LEU 13 -28.310 -5.507 -6.612 80 2HD2 LEU 13 HD1 LEU 13 -28.523 -6.778 -7.818 81 3HD2 LEU 13 HD1 LEU 13 -29.142 -5.154 -8.126 82 H VAL 14 HN VAL 14 -22.184 -5.363 -8.208 83 HA VAL 14 HA VAL 14 -22.430 -4.689 -5.403 84 HB VAL 14 HB VAL 14 -19.991 -4.014 -5.683 85 1HG1 VAL 14 HG2 VAL 14 -20.615 -6.863 -6.429 86 2HG1 VAL 14 HG2 VAL 14 -20.835 -6.208 -4.806 87 3HG1 VAL 14 HG2 VAL 14 -19.225 -6.261 -5.525 88 1HG2 VAL 14 HG1 VAL 14 -19.168 -3.842 -7.738 89 2HG2 VAL 14 HG1 VAL 14 -20.681 -4.433 -8.425 90 3HG2 VAL 14 HG1 VAL 14 -19.417 -5.573 -7.961 91 HA PRO 15 HA PRO 15 -23.280 -0.391 -6.150 92 1HB PRO 15 HB1 PRO 15 -22.770 0.576 -3.680 93 2HB PRO 15 HB2 PRO 15 -24.206 -0.391 -4.040 94 1HG PRO 15 HG2 PRO 15 -21.619 -1.230 -2.784 95 2HG PRO 15 HG1 PRO 15 -23.276 -1.650 -2.315 96 1HD PRO 15 HD1 PRO 15 -21.686 -3.313 -3.756 97 2HD PRO 15 HD2 PRO 15 -23.452 -3.283 -3.927 98 H ARG 16 HN ARG 16 -21.961 1.661 -4.702 99 HA ARG 16 HA ARG 16 -19.549 1.870 -6.269 100 1HB ARG 16 HB1 ARG 16 -21.369 3.676 -4.968 101 2HB ARG 16 HB2 ARG 16 -19.721 4.040 -4.476 102 1HG ARG 16 HG1 ARG 16 -19.407 3.745 -7.150 103 2HG ARG 16 HG2 ARG 16 -21.041 4.406 -7.064 104 1HD ARG 16 HD1 ARG 16 -18.848 5.656 -5.469 105 2HD ARG 16 HD2 ARG 16 -18.984 6.006 -7.191 106 HE ARG 16 HE ARG 16 -21.499 6.400 -6.135 107 1HH1 ARG 16 HH1 ARG 16 -18.309 7.717 -5.657 108 2HH1 ARG 16 HH1 ARG 16 -18.885 9.280 -5.184 109 1HH2 ARG 16 HH2 ARG 16 -22.267 8.456 -5.514 110 2HH2 ARG 16 HH2 ARG 16 -21.134 9.701 -5.103 111 H GLY 17 HN GLY 17 -19.841 2.993 -2.935 112 1HA GLY 17 HA2 GLY 17 -17.179 2.038 -2.360 113 2HA GLY 17 HA1 GLY 17 -18.219 2.950 -1.277 114 H SER 18 HN SER 18 -16.562 0.409 -1.026 115 HA SER 18 HA SER 18 -18.364 -1.740 -0.613 116 1HB SER 18 HB1 SER 18 -15.842 -1.647 0.963 117 2HB SER 18 HB2 SER 18 -16.517 -2.955 -0.009 118 HG SER 18 HG SER 18 -14.671 -1.127 -0.688 119 H HIS 19 HN HIS 19 -16.442 -0.113 1.909 120 HA HIS 19 HA HIS 19 -18.753 -0.403 3.708 121 1HB HIS 19 HB2 HIS 19 -16.141 -1.314 4.024 122 2HB HIS 19 HB1 HIS 19 -16.214 0.128 5.031 123 HD2 HIS 19 HD2 HIS 19 -16.778 -0.615 7.523 124 HE1 HIS 19 HE1 HIS 19 -19.510 -3.709 6.588 125 HE2 HIS 19 HE2 HIS 19 -18.379 -2.428 8.463 126 H MET 20 HN MET 20 -17.348 1.293 5.710 127 HA MET 20 HA MET 20 -18.473 3.790 4.916 128 1HB MET 20 HB1 MET 20 -18.279 2.800 7.284 129 2HB MET 20 HB2 MET 20 -16.623 3.391 7.256 130 1HG MET 20 HG1 MET 20 -18.086 5.577 6.448 131 2HG MET 20 HG2 MET 20 -19.111 4.825 7.668 132 1HE MET 20 HE1 MET 20 -16.870 7.984 8.855 133 2HE MET 20 HE2 MET 20 -18.449 7.405 9.387 134 3HE MET 20 HE3 MET 20 -18.100 7.559 7.665 135 H ALA 21 HN ALA 21 -15.126 2.925 5.825 136 HA ALA 21 HA ALA 21 -14.058 5.349 4.757 137 1HB ALA 21 HB1 ALA 21 -12.565 4.697 6.294 138 2HB ALA 21 HB2 ALA 21 -11.899 3.699 4.998 139 3HB ALA 21 HB3 ALA 21 -13.028 3.000 6.163 140 H LYS 22 HN LYS 22 -11.920 4.897 3.346 141 HA LYS 22 HA LYS 22 -12.886 4.075 0.780 142 1HB LYS 22 HB2 LYS 22 -10.580 5.523 1.829 143 2HB LYS 22 HB1 LYS 22 -10.215 4.506 0.442 144 1HG LYS 22 HG1 LYS 22 -10.755 6.483 -0.579 145 2HG LYS 22 HG2 LYS 22 -12.314 5.656 -0.593 146 1HD LYS 22 HD1 LYS 22 -12.552 6.875 1.753 147 2HD LYS 22 HD2 LYS 22 -11.415 7.996 0.999 148 1HE LYS 22 HE2 LYS 22 -13.066 7.902 -1.007 149 2HE LYS 22 HE1 LYS 22 -14.210 7.302 0.193 150 1HZ LYS 22 HZ1 LYS 22 -12.951 9.947 -0.007 151 2HZ LYS 22 HZ2 LYS 22 -13.409 9.371 1.516 152 3HZ LYS 22 HZ3 LYS 22 -14.566 9.547 0.294 153 H TYR 23 HN TYR 23 -9.684 3.351 1.369 154 HA TYR 23 HA TYR 23 -10.143 0.534 0.806 155 1HB TYR 23 HB2 TYR 23 -7.739 2.330 0.702 156 2HB TYR 23 HB1 TYR 23 -7.530 0.582 0.738 157 HD1 TYR 23 HD1 TYR 23 -7.521 -0.591 -1.258 158 HD2 TYR 23 HD2 TYR 23 -9.389 3.228 -1.125 159 HE1 TYR 23 HE1 TYR 23 -7.884 -0.693 -3.687 160 HE2 TYR 23 HE2 TYR 23 -9.759 3.138 -3.555 161 HH TYR 23 HH TYR 23 -8.207 1.050 -5.576 162 H GLN 24 HN GLN 24 -9.105 -1.148 2.018 163 HA GLN 24 HA GLN 24 -9.129 -0.596 4.872 164 1HB GLN 24 HB1 GLN 24 -9.705 -2.854 3.193 165 2HB GLN 24 HB2 GLN 24 -8.494 -3.312 4.382 166 1HG GLN 24 HG1 GLN 24 -10.587 -1.796 5.631 167 2HG GLN 24 HG2 GLN 24 -11.262 -3.153 4.729 168 1HE2 GLN 24 HE2 GLN 24 -10.810 -2.506 7.670 169 2HE2 GLN 24 HE2 GLN 24 -10.077 -3.939 8.296 170 H VAL 25 HN VAL 25 -7.083 0.736 4.395 171 HA VAL 25 HA VAL 25 -4.652 -0.767 4.031 172 HB VAL 25 HB VAL 25 -4.881 2.102 4.928 173 1HG1 VAL 25 HG2 VAL 25 -2.663 1.804 5.084 174 2HG1 VAL 25 HG2 VAL 25 -2.690 1.893 3.323 175 3HG1 VAL 25 HG2 VAL 25 -2.696 0.323 4.127 176 1HG2 VAL 25 HG1 VAL 25 -5.947 2.438 2.979 177 2HG2 VAL 25 HG1 VAL 25 -5.465 0.871 2.331 178 3HG2 VAL 25 HG1 VAL 25 -4.347 2.233 2.265 179 H THR 26 HN THR 26 -3.075 -1.196 5.547 180 HA THR 26 HA THR 26 -3.980 -1.149 8.329 181 HB THR 26 HB THR 26 -1.491 -2.583 7.633 182 HG1 THR 26 HG1 THR 26 -4.016 -3.389 6.631 183 1HG2 THR 26 HG2 THR 26 -3.454 -4.269 8.749 184 2HG2 THR 26 HG2 THR 26 -3.505 -2.737 9.621 185 3HG2 THR 26 HG2 THR 26 -1.991 -3.634 9.502 186 H LYS 27 HN LYS 27 -0.746 -0.963 6.813 187 HA LYS 27 HA LYS 27 -0.151 1.271 8.647 188 1HB LYS 27 HB2 LYS 27 1.084 -1.189 8.594 189 2HB LYS 27 HB1 LYS 27 2.162 -0.202 7.617 190 1HG LYS 27 HG2 LYS 27 1.395 1.214 9.995 191 2HG LYS 27 HG1 LYS 27 2.059 -0.370 10.400 192 1HD LYS 27 HD2 LYS 27 3.625 0.886 8.336 193 2HD LYS 27 HD1 LYS 27 3.478 1.949 9.737 194 1HE LYS 27 HE1 LYS 27 4.086 -0.902 10.262 195 2HE LYS 27 HE2 LYS 27 5.365 0.072 9.536 196 1HZ LYS 27 HZ1 LYS 27 4.282 0.153 12.212 197 2HZ LYS 27 HZ2 LYS 27 4.498 1.675 11.505 198 3HZ LYS 27 HZ3 LYS 27 5.808 0.614 11.646 199 H THR 28 HN THR 28 1.577 2.741 7.879 200 HA THR 28 HA THR 28 1.738 2.936 4.958 201 HB THR 28 HB THR 28 0.985 5.209 6.807 202 HG1 THR 28 HG1 THR 28 -0.962 5.152 5.689 203 1HG2 THR 28 HG2 THR 28 1.659 6.634 5.271 204 2HG2 THR 28 HG2 THR 28 0.570 5.881 4.106 205 3HG2 THR 28 HG2 THR 28 2.230 5.307 4.260 206 H LEU 29 HN LEU 29 3.746 3.335 4.262 207 HA LEU 29 HA LEU 29 5.718 4.261 6.234 208 1HB LEU 29 HB1 LEU 29 5.962 1.946 5.230 209 2HB LEU 29 HB2 LEU 29 6.286 2.737 3.698 210 HG LEU 29 HG LEU 29 7.945 3.634 5.964 211 1HD1 LEU 29 HD1 LEU 29 9.210 1.744 6.257 212 2HD1 LEU 29 HD1 LEU 29 8.719 1.044 4.713 213 3HD1 LEU 29 HD1 LEU 29 7.602 1.041 6.078 214 1HD2 LEU 29 HD2 LEU 29 9.646 3.096 4.002 215 2HD2 LEU 29 HD2 LEU 29 8.681 4.572 4.031 216 3HD2 LEU 29 HD2 LEU 29 8.171 3.203 3.041 217 H ASP 30 HN ASP 30 6.391 6.273 5.966 218 HA ASP 30 HA ASP 30 6.530 7.359 3.230 219 1HB ASP 30 HB2 ASP 30 6.247 9.616 4.642 220 2HB ASP 30 HB1 ASP 30 4.867 8.708 4.032 221 H VAL 31 HN VAL 31 8.598 7.506 2.679 222 HA VAL 31 HA VAL 31 10.461 8.776 4.550 223 HB VAL 31 HB VAL 31 10.871 6.401 4.786 224 1HG1 VAL 31 HG1 VAL 31 10.294 6.290 2.043 225 2HG1 VAL 31 HG1 VAL 31 10.713 4.954 3.115 226 3HG1 VAL 31 HG1 VAL 31 11.978 5.792 2.214 227 1HG2 VAL 31 HG2 VAL 31 13.119 6.602 4.798 228 2HG2 VAL 31 HG2 VAL 31 12.731 8.283 4.429 229 3HG2 VAL 31 HG2 VAL 31 13.190 7.177 3.132 230 H ARG 32 HN ARG 32 9.784 10.537 3.031 231 HA ARG 32 HA ARG 32 10.631 10.497 0.323 232 1HB ARG 32 HB2 ARG 32 9.103 12.188 1.920 233 2HB ARG 32 HB1 ARG 32 10.505 13.155 1.482 234 1HG ARG 32 HG1 ARG 32 10.076 12.668 -0.889 235 2HG ARG 32 HG2 ARG 32 8.638 11.758 -0.422 236 1HD ARG 32 HD2 ARG 32 8.197 14.105 -1.167 237 2HD ARG 32 HD1 ARG 32 7.584 13.710 0.439 238 HE ARG 32 HE ARG 32 10.105 15.182 0.021 239 1HH1 ARG 32 HH1 ARG 32 7.040 14.748 1.623 240 2HH1 ARG 32 HH1 ARG 32 7.279 16.073 2.715 241 1HH2 ARG 32 HH2 ARG 32 10.426 16.925 1.453 242 2HH2 ARG 32 HH2 ARG 32 9.202 17.310 2.618 243 H GLY 33 HN GLY 33 11.774 13.089 2.346 244 1HA GLY 33 HA2 GLY 33 14.400 12.918 1.199 245 2HA GLY 33 HA1 GLY 33 13.866 14.076 2.408 246 H GLU 34 HN GLU 34 15.203 10.892 1.868 247 HA GLU 34 HA GLU 34 15.507 10.364 4.698 248 1HB GLU 34 HB2 GLU 34 16.380 8.241 4.059 249 2HB GLU 34 HB1 GLU 34 15.027 8.576 2.987 250 1HG GLU 34 HG2 GLU 34 16.550 9.224 1.220 251 2HG GLU 34 HG1 GLU 34 17.928 8.980 2.293 252 H VAL 35 HN VAL 35 17.660 9.731 5.555 253 HA VAL 35 HA VAL 35 19.853 11.249 4.366 254 HB VAL 35 HB VAL 35 19.248 12.792 5.942 255 1HG1 VAL 35 HG1 VAL 35 18.076 12.429 7.835 256 2HG1 VAL 35 HG1 VAL 35 18.915 10.920 8.195 257 3HG1 VAL 35 HG1 VAL 35 17.669 10.960 6.948 258 1HG2 VAL 35 HG2 VAL 35 21.610 11.437 6.376 259 2HG2 VAL 35 HG2 VAL 35 20.892 11.569 7.981 260 3HG2 VAL 35 HG2 VAL 35 21.175 13.020 7.019 261 H CYS 36 HN CYS 36 19.900 9.805 7.509 262 HA CYS 36 HA CYS 36 22.207 8.306 7.093 263 1HB CYS 36 HB2 CYS 36 20.246 8.642 9.205 264 2HB CYS 36 HB1 CYS 36 20.804 6.974 9.117 265 HG CYS 36 HG CYS 36 23.052 9.045 9.221 266 HA PRO 37 HA PRO 37 20.840 4.640 5.050 267 1HB PRO 37 HB1 PRO 37 22.700 2.956 6.502 268 2HB PRO 37 HB2 PRO 37 22.804 3.541 4.840 269 1HG PRO 37 HG2 PRO 37 24.478 4.365 6.827 270 2HG PRO 37 HG1 PRO 37 24.059 5.364 5.423 271 1HD PRO 37 HD2 PRO 37 22.973 5.464 8.212 272 2HD PRO 37 HD1 PRO 37 23.395 6.798 7.117 273 H VAL 38 HN VAL 38 20.110 5.151 8.182 274 HA VAL 38 HA VAL 38 19.514 2.599 9.201 275 HB VAL 38 HB VAL 38 18.089 5.174 9.870 276 1HG1 VAL 38 HG2 VAL 38 17.939 3.932 12.130 277 2HG1 VAL 38 HG2 VAL 38 18.248 2.482 11.173 278 3HG1 VAL 38 HG2 VAL 38 16.831 3.477 10.836 279 1HG2 VAL 38 HG1 VAL 38 20.812 4.389 10.293 280 2HG2 VAL 38 HG1 VAL 38 19.980 4.527 11.843 281 3HG2 VAL 38 HG1 VAL 38 20.005 5.895 10.729 282 HA PRO 39 HA PRO 39 14.965 3.295 7.591 283 1HB PRO 39 HB2 PRO 39 14.729 5.015 5.474 284 2HB PRO 39 HB1 PRO 39 14.446 5.479 7.155 285 1HG PRO 39 HG1 PRO 39 16.887 5.868 5.465 286 2HG PRO 39 HG2 PRO 39 16.112 7.000 6.590 287 1HD PRO 39 HD2 PRO 39 18.314 5.620 7.270 288 2HD PRO 39 HD1 PRO 39 17.038 5.977 8.451 289 H ASP 40 HN ASP 40 17.814 3.338 5.608 290 HA ASP 40 HA ASP 40 16.774 2.179 3.262 291 1HB ASP 40 HB1 ASP 40 19.490 2.421 4.484 292 2HB ASP 40 HB2 ASP 40 19.272 1.294 3.148 293 H VAL 41 HN VAL 41 18.495 0.664 5.992 294 HA VAL 41 HA VAL 41 17.963 -1.992 5.091 295 HB VAL 41 HB VAL 41 18.670 -1.280 7.924 296 1HG1 VAL 41 HG2 VAL 41 20.117 -3.477 6.872 297 2HG1 VAL 41 HG2 VAL 41 18.422 -3.689 6.437 298 3HG1 VAL 41 HG2 VAL 41 18.879 -3.478 8.128 299 1HG2 VAL 41 HG1 VAL 41 21.089 -1.681 6.855 300 2HG2 VAL 41 HG1 VAL 41 20.367 -0.081 7.016 301 3HG2 VAL 41 HG1 VAL 41 20.290 -0.933 5.473 302 H GLU 42 HN GLU 42 16.236 0.332 6.952 303 HA GLU 42 HA GLU 42 14.593 -1.362 8.484 304 1HB GLU 42 HB1 GLU 42 14.815 1.077 8.858 305 2HB GLU 42 HB2 GLU 42 13.942 1.371 7.360 306 1HG GLU 42 HG2 GLU 42 11.975 0.259 8.290 307 2HG GLU 42 HG1 GLU 42 12.851 -0.024 9.794 308 H THR 43 HN THR 43 13.847 0.324 5.426 309 HA THR 43 HA THR 43 11.402 -0.981 4.973 310 HB THR 43 HB THR 43 12.121 1.111 3.837 311 HG1 THR 43 HG1 THR 43 10.501 -0.421 2.965 312 1HG2 THR 43 HG2 THR 43 13.401 0.191 1.561 313 2HG2 THR 43 HG2 THR 43 14.278 -0.549 2.900 314 3HG2 THR 43 HG2 THR 43 14.087 1.202 2.833 315 H LYS 44 HN LYS 44 14.701 -1.869 4.261 316 HA LYS 44 HA LYS 44 14.325 -3.863 2.363 317 1HB LYS 44 HB2 LYS 44 16.545 -3.119 2.942 318 2HB LYS 44 HB1 LYS 44 16.344 -3.658 4.602 319 1HG LYS 44 HG2 LYS 44 17.704 -5.267 3.577 320 2HG LYS 44 HG1 LYS 44 16.100 -6.000 3.667 321 1HD LYS 44 HD2 LYS 44 15.927 -6.138 1.442 322 2HD LYS 44 HD1 LYS 44 16.520 -4.492 1.211 323 1HE LYS 44 HE2 LYS 44 18.619 -5.176 0.807 324 2HE LYS 44 HE1 LYS 44 18.567 -6.394 2.079 325 1HZ LYS 44 HZ1 LYS 44 17.679 -7.962 0.663 326 2HZ LYS 44 HZ2 LYS 44 18.742 -7.139 -0.363 327 3HZ LYS 44 HZ3 LYS 44 17.084 -6.816 -0.429 328 H ARG 45 HN ARG 45 14.204 -4.066 5.902 329 HA ARG 45 HA ARG 45 13.688 -6.838 6.030 330 1HB ARG 45 HB1 ARG 45 14.497 -5.412 7.910 331 2HB ARG 45 HB2 ARG 45 12.869 -4.760 8.044 332 1HG ARG 45 HG1 ARG 45 12.706 -6.411 9.586 333 2HG ARG 45 HG2 ARG 45 12.265 -7.334 8.146 334 1HD ARG 45 HD2 ARG 45 13.912 -8.735 8.626 335 2HD ARG 45 HD1 ARG 45 15.042 -7.439 8.236 336 HE ARG 45 HE ARG 45 14.142 -8.199 10.921 337 1HH1 ARG 45 HH1 ARG 45 16.239 -6.344 8.846 338 2HH1 ARG 45 HH1 ARG 45 17.304 -5.873 10.129 339 1HH2 ARG 45 HH2 ARG 45 15.539 -7.584 12.614 340 2HH2 ARG 45 HH2 ARG 45 16.906 -6.578 12.270 341 H ALA 46 HN ALA 46 11.617 -4.034 5.651 342 HA ALA 46 HA ALA 46 9.141 -5.178 6.242 343 1HB ALA 46 HB1 ALA 46 8.392 -3.166 5.664 344 2HB ALA 46 HB2 ALA 46 8.943 -3.375 4.002 345 3HB ALA 46 HB3 ALA 46 10.046 -2.744 5.224 346 H LEU 47 HN LEU 47 11.176 -5.450 3.426 347 HA LEU 47 HA LEU 47 9.177 -6.642 1.748 348 1HB LEU 47 HB2 LEU 47 12.068 -7.044 1.202 349 2HB LEU 47 HB1 LEU 47 10.767 -6.655 0.095 350 HG LEU 47 HG LEU 47 12.114 -4.753 2.000 351 1HD1 LEU 47 HD1 LEU 47 12.837 -5.649 -0.585 352 2HD1 LEU 47 HD1 LEU 47 13.599 -4.401 0.400 353 3HD1 LEU 47 HD1 LEU 47 12.305 -3.974 -0.719 354 1HD2 LEU 47 HD2 LEU 47 10.483 -3.278 1.661 355 2HD2 LEU 47 HD2 LEU 47 9.539 -4.598 0.971 356 3HD2 LEU 47 HD2 LEU 47 10.504 -3.560 -0.079 357 H GLN 48 HN GLN 48 12.152 -7.922 3.247 358 HA GLN 48 HA GLN 48 11.496 -10.622 2.632 359 1HB GLN 48 HB1 GLN 48 13.730 -9.184 3.706 360 2HB GLN 48 HB2 GLN 48 13.384 -10.561 4.743 361 1HG GLN 48 HG1 GLN 48 13.237 -11.736 2.325 362 2HG GLN 48 HG2 GLN 48 14.420 -10.470 1.993 363 1HE2 GLN 48 HE2 GLN 48 15.911 -12.219 1.660 364 2HE2 GLN 48 HE2 GLN 48 16.685 -12.958 3.015 365 H ASN 49 HN ASN 49 10.347 -8.554 5.013 366 HA ASN 49 HA ASN 49 9.389 -10.850 6.579 367 1HB ASN 49 HB2 ASN 49 11.276 -9.354 7.647 368 2HB ASN 49 HB1 ASN 49 9.939 -8.249 7.957 369 1HD2 ASN 49 HD2 ASN 49 11.217 -11.439 8.588 370 2HD2 ASN 49 HD2 ASN 49 10.288 -11.741 10.012 371 H MET 50 HN MET 50 7.639 -10.389 4.920 372 HA MET 50 HA MET 50 5.844 -8.261 5.871 373 1HB MET 50 HB1 MET 50 4.836 -8.213 3.721 374 2HB MET 50 HB2 MET 50 6.571 -8.233 3.451 375 1HG MET 50 HG1 MET 50 4.803 -10.662 3.304 376 2HG MET 50 HG2 MET 50 5.281 -9.687 1.916 377 1HE MET 50 HE1 MET 50 7.141 -13.254 3.459 378 2HE MET 50 HE2 MET 50 6.344 -13.077 1.895 379 3HE MET 50 HE3 MET 50 5.493 -12.630 3.374 380 H LYS 51 HN LYS 51 3.707 -8.721 6.375 381 HA LYS 51 HA LYS 51 3.230 -11.428 7.240 382 1HB LYS 51 HB1 LYS 51 1.307 -9.107 7.366 383 2HB LYS 51 HB2 LYS 51 1.280 -10.571 8.337 384 1HG LYS 51 HG2 LYS 51 3.662 -9.717 9.075 385 2HG LYS 51 HG1 LYS 51 2.993 -8.159 8.584 386 1HD LYS 51 HD2 LYS 51 0.937 -9.053 10.034 387 2HD LYS 51 HD1 LYS 51 2.240 -9.931 10.838 388 1HE LYS 51 HE1 LYS 51 3.053 -8.077 11.799 389 2HE LYS 51 HE2 LYS 51 2.849 -7.118 10.333 390 1HZ LYS 51 HZ1 LYS 51 0.933 -7.603 12.511 391 2HZ LYS 51 HZ2 LYS 51 0.360 -7.236 10.962 392 3HZ LYS 51 HZ3 LYS 51 1.366 -6.144 11.773 393 HA PRO 52 HA PRO 52 0.837 -13.301 4.103 394 1HB PRO 52 HB2 PRO 52 -1.474 -13.229 6.006 395 2HB PRO 52 HB1 PRO 52 -0.879 -14.564 5.011 396 1HG PRO 52 HG1 PRO 52 -0.303 -14.460 7.604 397 2HG PRO 52 HG2 PRO 52 0.912 -14.993 6.429 398 1HD PRO 52 HD1 PRO 52 0.715 -12.429 7.920 399 2HD PRO 52 HD2 PRO 52 2.152 -13.293 7.340 400 H GLY 53 HN GLY 53 -1.812 -11.565 5.717 401 1HA GLY 53 HA2 GLY 53 -2.463 -10.361 3.117 402 2HA GLY 53 HA1 GLY 53 -3.609 -10.656 4.413 403 H GLU 54 HN GLU 54 -0.553 -8.890 3.967 404 HA GLU 54 HA GLU 54 -1.554 -6.778 5.716 405 1HB GLU 54 HB2 GLU 54 1.099 -7.641 4.792 406 2HB GLU 54 HB1 GLU 54 0.891 -5.896 4.886 407 1HG GLU 54 HG1 GLU 54 0.300 -7.792 7.141 408 2HG GLU 54 HG2 GLU 54 1.817 -6.915 6.943 409 H ILE 55 HN ILE 55 -1.589 -4.577 5.140 410 HA ILE 55 HA ILE 55 -1.552 -3.965 2.269 411 HB ILE 55 HB ILE 55 -3.726 -2.941 4.091 412 1HG1 ILE 55 HG1 ILE 55 -5.028 -4.563 2.348 413 2HG1 ILE 55 HG1 ILE 55 -3.528 -5.463 2.557 414 1HG2 ILE 55 HG2 ILE 55 -3.931 -1.480 2.418 415 2HG2 ILE 55 HG2 ILE 55 -4.593 -2.823 1.485 416 3HG2 ILE 55 HG2 ILE 55 -2.881 -2.418 1.357 417 1HD1 ILE 55 HD1 ILE 55 -3.924 -5.864 4.787 418 2HD1 ILE 55 HD1 ILE 55 -5.544 -5.949 4.097 419 3HD1 ILE 55 HD1 ILE 55 -5.022 -4.494 4.946 420 H LEU 56 HN LEU 56 0.002 -2.449 2.083 421 HA LEU 56 HA LEU 56 0.095 -0.333 4.128 422 1HB LEU 56 HB2 LEU 56 2.184 -2.126 3.150 423 2HB LEU 56 HB1 LEU 56 2.646 -0.436 3.093 424 HG LEU 56 HG LEU 56 1.989 -0.282 5.527 425 1HD1 LEU 56 HD2 LEU 56 1.105 -2.010 6.603 426 2HD1 LEU 56 HD2 LEU 56 2.361 -3.101 6.018 427 3HD1 LEU 56 HD2 LEU 56 0.927 -2.801 5.035 428 1HD2 LEU 56 HD1 LEU 56 4.282 -1.784 4.407 429 2HD2 LEU 56 HD1 LEU 56 4.050 -1.845 6.154 430 3HD2 LEU 56 HD1 LEU 56 4.251 -0.291 5.345 431 H GLU 57 HN GLU 57 0.769 1.718 3.500 432 HA GLU 57 HA GLU 57 0.603 2.261 0.607 433 1HB GLU 57 HB2 GLU 57 -1.251 3.360 1.521 434 2HB GLU 57 HB1 GLU 57 -0.391 3.800 2.989 435 1HG GLU 57 HG2 GLU 57 1.050 5.261 1.404 436 2HG GLU 57 HG1 GLU 57 -0.305 5.076 0.291 437 H VAL 58 HN VAL 58 2.433 3.004 -0.282 438 HA VAL 58 HA VAL 58 4.502 4.047 1.534 439 HB VAL 58 HB VAL 58 5.162 2.983 -1.180 440 1HG1 VAL 58 HG2 VAL 58 6.707 2.692 1.375 441 2HG1 VAL 58 HG2 VAL 58 6.777 4.169 0.416 442 3HG1 VAL 58 HG2 VAL 58 7.294 2.637 -0.286 443 1HG2 VAL 58 HG1 VAL 58 4.037 1.437 1.022 444 2HG2 VAL 58 HG1 VAL 58 5.604 0.840 0.473 445 3HG2 VAL 58 HG1 VAL 58 4.270 0.998 -0.670 446 H TRP 59 HN TRP 59 5.400 5.964 1.201 447 HA TRP 59 HA TRP 59 4.769 7.399 -1.297 448 1HB TRP 59 HB1 TRP 59 3.509 8.251 0.706 449 2HB TRP 59 HB2 TRP 59 5.056 8.662 1.438 450 HD1 TRP 59 HD1 TRP 59 4.549 9.316 -2.285 451 HE1 TRP 59 HE1 TRP 59 4.484 11.859 -2.678 452 HE3 TRP 59 HE3 TRP 59 4.436 10.888 2.579 453 HZ2 TRP 59 HZ2 TRP 59 4.397 14.219 -1.132 454 HZ3 TRP 59 HZ3 TRP 59 4.362 13.305 3.036 455 HH2 TRP 59 HH2 TRP 59 4.343 14.934 1.218 456 H ILE 60 HN ILE 60 6.628 7.413 -2.425 457 HA ILE 60 HA ILE 60 9.020 8.485 -1.129 458 HB ILE 60 HB ILE 60 9.812 6.364 -2.911 459 1HG1 ILE 60 HG1 ILE 60 9.166 4.559 -1.130 460 2HG1 ILE 60 HG1 ILE 60 7.871 5.681 -0.725 461 1HG2 ILE 60 HG2 ILE 60 11.040 7.646 -1.033 462 2HG2 ILE 60 HG2 ILE 60 11.389 5.934 -1.274 463 3HG2 ILE 60 HG2 ILE 60 10.320 6.441 0.034 464 1HD1 ILE 60 HD1 ILE 60 7.638 3.734 -2.547 465 2HD1 ILE 60 HD1 ILE 60 8.178 5.056 -3.583 466 3HD1 ILE 60 HD1 ILE 60 6.723 5.240 -2.604 467 H ASP 61 HN ASP 61 10.791 8.023 -3.244 468 HA ASP 61 HA ASP 61 9.551 9.185 -5.614 469 1HB ASP 61 HB1 ASP 61 11.435 10.912 -5.672 470 2HB ASP 61 HB2 ASP 61 10.146 11.188 -4.505 471 H TYR 62 HN TYR 62 10.954 6.639 -4.813 472 HA TYR 62 HA TYR 62 13.276 6.778 -6.594 473 1HB TYR 62 HB1 TYR 62 12.483 4.872 -4.419 474 2HB TYR 62 HB2 TYR 62 13.647 4.383 -5.647 475 HD1 TYR 62 HD1 TYR 62 12.995 7.082 -3.160 476 HD2 TYR 62 HD2 TYR 62 15.898 4.895 -5.371 477 HE1 TYR 62 HE1 TYR 62 14.786 8.199 -1.900 478 HE2 TYR 62 HE2 TYR 62 17.698 6.006 -4.117 479 HH TYR 62 HH TYR 62 17.848 7.141 -1.727 480 HA PRO 63 HA PRO 63 10.332 5.296 -5.051 481 1HB PRO 63 HB1 PRO 63 8.277 3.609 -5.180 482 2HB PRO 63 HB2 PRO 63 8.250 5.131 -6.077 483 1HG PRO 63 HG1 PRO 63 8.671 2.359 -7.060 484 2HG PRO 63 HG2 PRO 63 7.935 3.744 -7.881 485 1HD PRO 63 HD1 PRO 63 10.606 2.794 -8.147 486 2HD PRO 63 HD2 PRO 63 9.908 4.261 -8.860 487 H MET 64 HN MET 64 9.672 3.655 -3.274 488 HA MET 64 HA MET 64 11.862 1.938 -2.783 489 1HB MET 64 HB1 MET 64 10.469 3.052 -1.026 490 2HB MET 64 HB2 MET 64 9.170 1.930 -1.405 491 1HG MET 64 HG1 MET 64 11.803 0.759 -0.752 492 2HG MET 64 HG2 MET 64 10.913 1.525 0.563 493 1HE MET 64 HE1 MET 64 8.305 -0.543 1.607 494 2HE MET 64 HE2 MET 64 7.604 0.343 0.250 495 3HE MET 64 HE3 MET 64 8.810 1.116 1.280 496 H SER 65 HN SER 65 8.883 1.491 -4.428 497 HA SER 65 HA SER 65 8.523 -1.277 -4.082 498 1HB SER 65 HB2 SER 65 6.722 0.047 -4.976 499 2HB SER 65 HB1 SER 65 7.713 0.569 -6.338 500 HG SER 65 HG SER 65 7.525 -2.151 -6.106 501 H LYS 66 HN LYS 66 10.905 0.455 -5.775 502 HA LYS 66 HA LYS 66 11.437 -1.270 -7.921 503 1HB LYS 66 HB2 LYS 66 13.556 -0.175 -8.104 504 2HB LYS 66 HB1 LYS 66 12.388 1.036 -7.597 505 1HG LYS 66 HG1 LYS 66 13.806 1.576 -5.981 506 2HG LYS 66 HG2 LYS 66 13.406 0.034 -5.220 507 1HD LYS 66 HD2 LYS 66 15.495 -0.655 -5.523 508 2HD LYS 66 HD1 LYS 66 15.300 -0.478 -7.267 509 1HE LYS 66 HE1 LYS 66 17.204 0.811 -6.517 510 2HE LYS 66 HE2 LYS 66 15.930 1.892 -7.077 511 1HZ LYS 66 HZ1 LYS 66 16.532 1.239 -4.244 512 2HZ LYS 66 HZ2 LYS 66 15.285 2.255 -4.769 513 3HZ LYS 66 HZ3 LYS 66 16.899 2.692 -5.028 514 H GLU 67 HN GLU 67 12.352 -1.404 -4.545 515 HA GLU 67 HA GLU 67 14.030 -3.753 -5.002 516 1HB GLU 67 HB2 GLU 67 13.780 -1.738 -2.907 517 2HB GLU 67 HB1 GLU 67 13.834 -3.371 -2.258 518 1HG GLU 67 HG1 GLU 67 15.832 -2.795 -4.327 519 2HG GLU 67 HG2 GLU 67 16.007 -1.871 -2.835 520 H ARG 68 HN ARG 68 10.878 -2.835 -3.989 521 HA ARG 68 HA ARG 68 10.154 -5.098 -2.488 522 1HB ARG 68 HB1 ARG 68 8.700 -2.940 -3.928 523 2HB ARG 68 HB2 ARG 68 7.790 -4.390 -3.522 524 1HG ARG 68 HG1 ARG 68 8.657 -4.068 -1.148 525 2HG ARG 68 HG2 ARG 68 9.140 -2.454 -1.673 526 1HD ARG 68 HD2 ARG 68 6.950 -1.772 -2.023 527 2HD ARG 68 HD1 ARG 68 6.352 -3.426 -2.148 528 HE ARG 68 HE ARG 68 6.666 -1.880 0.243 529 1HH1 ARG 68 HH1 ARG 68 6.606 -5.114 -1.056 530 2HH1 ARG 68 HH1 ARG 68 6.136 -5.845 0.441 531 1HH2 ARG 68 HH2 ARG 68 6.046 -2.835 2.218 532 2HH2 ARG 68 HH2 ARG 68 5.818 -4.550 2.303 533 H ILE 69 HN ILE 69 9.739 -4.373 -5.958 534 HA ILE 69 HA ILE 69 8.399 -6.619 -6.751 535 HB ILE 69 HB ILE 69 10.612 -5.319 -8.334 536 1HG1 ILE 69 HG1 ILE 69 7.752 -4.628 -8.766 537 2HG1 ILE 69 HG1 ILE 69 8.520 -3.971 -7.324 538 1HG2 ILE 69 HG2 ILE 69 9.494 -6.162 -10.281 539 2HG2 ILE 69 HG2 ILE 69 8.178 -6.807 -9.301 540 3HG2 ILE 69 HG2 ILE 69 9.793 -7.506 -9.178 541 1HD1 ILE 69 HD1 ILE 69 9.546 -2.412 -8.510 542 2HD1 ILE 69 HD1 ILE 69 8.610 -2.943 -9.908 543 3HD1 ILE 69 HD1 ILE 69 10.215 -3.614 -9.615 544 HA PRO 70 HA PRO 70 12.753 -8.885 -7.543 545 1HB PRO 70 HB2 PRO 70 14.080 -7.640 -5.172 546 2HB PRO 70 HB1 PRO 70 14.790 -8.216 -6.685 547 1HG PRO 70 HG1 PRO 70 14.425 -5.615 -6.269 548 2HG PRO 70 HG2 PRO 70 14.127 -6.330 -7.865 549 1HD PRO 70 HD2 PRO 70 12.182 -5.409 -5.808 550 2HD PRO 70 HD1 PRO 70 12.050 -5.391 -7.577 551 H GLU 71 HN GLU 71 12.079 -7.955 -4.149 552 HA GLU 71 HA GLU 71 12.455 -10.554 -3.111 553 1HB GLU 71 HB1 GLU 71 11.194 -8.033 -2.096 554 2HB GLU 71 HB2 GLU 71 10.997 -9.522 -1.184 555 1HG GLU 71 HG1 GLU 71 12.922 -7.931 -0.580 556 2HG GLU 71 HG2 GLU 71 13.239 -9.661 -0.672 557 H THR 72 HN THR 72 9.452 -8.747 -3.728 558 HA THR 72 HA THR 72 7.668 -10.719 -2.963 559 HB THR 72 HB THR 72 6.995 -8.920 -5.257 560 HG1 THR 72 HG1 THR 72 7.115 -7.971 -2.605 561 1HG2 THR 72 HG2 THR 72 5.424 -9.136 -2.752 562 2HG2 THR 72 HG2 THR 72 5.387 -10.477 -3.898 563 3HG2 THR 72 HG2 THR 72 4.888 -8.865 -4.410 564 H VAL 73 HN VAL 73 8.919 -10.087 -6.263 565 HA VAL 73 HA VAL 73 7.522 -12.179 -7.483 566 HB VAL 73 HB VAL 73 9.006 -11.886 -9.347 567 1HG1 VAL 73 HG1 VAL 73 7.300 -10.093 -8.692 568 2HG1 VAL 73 HG1 VAL 73 8.507 -9.694 -9.914 569 3HG1 VAL 73 HG1 VAL 73 8.709 -9.126 -8.257 570 1HG2 VAL 73 HG2 VAL 73 11.178 -11.687 -8.857 571 2HG2 VAL 73 HG2 VAL 73 10.848 -10.908 -7.310 572 3HG2 VAL 73 HG2 VAL 73 10.835 -9.957 -8.796 573 H LYS 74 HN LYS 74 10.325 -12.155 -5.491 574 HA LYS 74 HA LYS 74 11.650 -14.441 -6.416 575 1HB LYS 74 HB1 LYS 74 12.121 -12.675 -4.417 576 2HB LYS 74 HB2 LYS 74 11.561 -14.056 -3.486 577 1HG LYS 74 HG1 LYS 74 13.867 -14.325 -3.564 578 2HG LYS 74 HG2 LYS 74 13.274 -15.411 -4.823 579 1HD LYS 74 HD2 LYS 74 14.088 -14.113 -6.520 580 2HD LYS 74 HD1 LYS 74 13.955 -12.620 -5.588 581 1HE LYS 74 HE2 LYS 74 15.899 -14.681 -4.686 582 2HE LYS 74 HE1 LYS 74 16.298 -13.724 -6.112 583 1HZ LYS 74 HZ1 LYS 74 16.488 -12.990 -3.411 584 2HZ LYS 74 HZ2 LYS 74 15.353 -11.978 -4.153 585 3HZ LYS 74 HZ3 LYS 74 16.921 -12.092 -4.777 586 H LYS 75 HN LYS 75 9.235 -14.136 -3.789 587 HA LYS 75 HA LYS 75 8.814 -17.016 -3.958 588 1HB LYS 75 HB2 LYS 75 7.794 -16.956 -1.883 589 2HB LYS 75 HB1 LYS 75 9.029 -15.714 -1.760 590 1HG LYS 75 HG1 LYS 75 6.750 -14.395 -2.659 591 2HG LYS 75 HG2 LYS 75 6.204 -15.506 -1.401 592 1HD LYS 75 HD2 LYS 75 6.919 -14.011 0.090 593 2HD LYS 75 HD1 LYS 75 8.563 -14.415 -0.415 594 1HE LYS 75 HE1 LYS 75 8.219 -12.714 -2.276 595 2HE LYS 75 HE2 LYS 75 6.817 -12.166 -1.359 596 1HZ LYS 75 HZ1 LYS 75 9.564 -11.611 -0.922 597 2HZ LYS 75 HZ2 LYS 75 8.888 -12.328 0.454 598 3HZ LYS 75 HZ3 LYS 75 8.206 -10.919 -0.188 599 H LEU 76 HN LEU 76 6.639 -14.128 -4.007 600 HA LEU 76 HA LEU 76 4.799 -15.733 -5.647 601 1HB LEU 76 HB1 LEU 76 3.209 -13.741 -5.222 602 2HB LEU 76 HB2 LEU 76 3.457 -14.929 -3.952 603 HG LEU 76 HG LEU 76 5.295 -12.666 -3.757 604 1HD1 LEU 76 HD2 LEU 76 2.441 -12.178 -4.220 605 2HD1 LEU 76 HD2 LEU 76 3.814 -11.076 -4.326 606 3HD1 LEU 76 HD2 LEU 76 3.086 -11.429 -2.759 607 1HD2 LEU 76 HD1 LEU 76 4.019 -14.559 -2.098 608 2HD2 LEU 76 HD1 LEU 76 3.497 -12.961 -1.563 609 3HD2 LEU 76 HD1 LEU 76 5.218 -13.343 -1.649 610 H GLY 77 HN GLY 77 4.315 -12.387 -5.790 611 1HA GLY 77 HA2 GLY 77 5.975 -12.022 -8.163 612 2HA GLY 77 HA1 GLY 77 4.234 -11.845 -8.353 613 H HIS 78 HN HIS 78 3.161 -10.141 -7.242 614 HA HIS 78 HA HIS 78 4.778 -8.186 -5.857 615 1HB HIS 78 HB1 HIS 78 3.563 -6.399 -7.452 616 2HB HIS 78 HB2 HIS 78 5.180 -7.028 -7.771 617 HD2 HIS 78 HD2 HIS 78 5.258 -7.330 -10.435 618 HE1 HIS 78 HE1 HIS 78 1.500 -9.231 -10.873 619 HE2 HIS 78 HE2 HIS 78 3.604 -8.475 -12.075 620 H GLU 79 HN GLU 79 3.537 -6.689 -4.626 621 HA GLU 79 HA GLU 79 0.791 -7.583 -4.169 622 1HB GLU 79 HB1 GLU 79 1.707 -5.584 -2.308 623 2HB GLU 79 HB2 GLU 79 1.221 -7.243 -1.996 624 1HG GLU 79 HG1 GLU 79 3.865 -7.091 -3.165 625 2HG GLU 79 HG2 GLU 79 3.741 -6.170 -1.667 626 H VAL 80 HN VAL 80 0.238 -6.477 -6.224 627 HA VAL 80 HA VAL 80 0.289 -3.563 -6.085 628 HB VAL 80 HB VAL 80 -0.891 -4.914 -8.442 629 1HG1 VAL 80 HG1 VAL 80 -0.547 -2.451 -8.216 630 2HG1 VAL 80 HG1 VAL 80 0.219 -3.166 -9.635 631 3HG1 VAL 80 HG1 VAL 80 1.191 -2.748 -8.224 632 1HG2 VAL 80 HG2 VAL 80 1.031 -6.373 -7.797 633 2HG2 VAL 80 HG2 VAL 80 2.087 -4.972 -7.979 634 3HG2 VAL 80 HG2 VAL 80 1.207 -5.598 -9.372 635 H LEU 81 HN LEU 81 -1.393 -2.415 -5.488 636 HA LEU 81 HA LEU 81 -4.084 -3.482 -5.918 637 1HB LEU 81 HB2 LEU 81 -4.801 -3.103 -3.764 638 2HB LEU 81 HB1 LEU 81 -3.168 -3.680 -3.498 639 HG LEU 81 HG LEU 81 -2.799 -0.962 -3.662 640 1HD1 LEU 81 HD1 LEU 81 -5.423 -1.497 -2.280 641 2HD1 LEU 81 HD1 LEU 81 -5.152 -0.477 -3.694 642 3HD1 LEU 81 HD1 LEU 81 -4.493 -0.007 -2.127 643 1HD2 LEU 81 HD2 LEU 81 -3.308 -2.669 -1.231 644 2HD2 LEU 81 HD2 LEU 81 -2.549 -1.077 -1.213 645 3HD2 LEU 81 HD2 LEU 81 -1.761 -2.421 -2.042 646 H GLU 82 HN GLU 82 -1.997 -0.704 -5.448 647 HA GLU 82 HA GLU 82 -3.724 0.854 -7.178 648 1HB GLU 82 HB2 GLU 82 -4.344 1.085 -4.592 649 2HB GLU 82 HB1 GLU 82 -3.033 2.256 -4.649 650 1HG GLU 82 HG2 GLU 82 -4.772 2.677 -6.875 651 2HG GLU 82 HG1 GLU 82 -5.720 2.613 -5.389 652 H ILE 83 HN ILE 83 -2.731 2.662 -8.099 653 HA ILE 83 HA ILE 83 0.054 3.212 -7.398 654 HB ILE 83 HB ILE 83 -0.768 2.627 -10.245 655 1HG1 ILE 83 HG1 ILE 83 1.247 0.845 -9.335 656 2HG1 ILE 83 HG1 ILE 83 -0.042 0.826 -8.135 657 1HG2 ILE 83 HG2 ILE 83 1.445 3.018 -10.862 658 2HG2 ILE 83 HG2 ILE 83 2.028 2.901 -9.201 659 3HG2 ILE 83 HG2 ILE 83 1.095 4.308 -9.712 660 1HD1 ILE 83 HD1 ILE 83 -1.127 0.704 -10.794 661 2HD1 ILE 83 HD1 ILE 83 -1.325 -0.411 -9.441 662 3HD1 ILE 83 HD1 ILE 83 0.054 -0.578 -10.529 663 H GLU 84 HN GLU 84 0.541 5.350 -7.549 664 HA GLU 84 HA GLU 84 -0.873 7.096 -9.355 665 1HB GLU 84 HB1 GLU 84 -1.730 8.591 -7.581 666 2HB GLU 84 HB2 GLU 84 -2.501 7.012 -7.566 667 1HG GLU 84 HG1 GLU 84 -0.688 6.447 -5.790 668 2HG GLU 84 HG2 GLU 84 -0.579 8.199 -5.623 669 H GLU 85 HN GLU 85 -0.276 9.497 -8.590 670 HA GLU 85 HA GLU 85 2.565 9.535 -7.838 671 1HB GLU 85 HB2 GLU 85 2.970 11.235 -9.601 672 2HB GLU 85 HB1 GLU 85 2.520 9.665 -10.252 673 1HG GLU 85 HG1 GLU 85 0.684 10.466 -11.224 674 2HG GLU 85 HG2 GLU 85 0.241 11.423 -9.811 675 H VAL 86 HN VAL 86 3.315 11.809 -7.355 676 HA VAL 86 HA VAL 86 1.145 13.345 -6.085 677 HB VAL 86 HB VAL 86 3.927 12.977 -4.977 678 1HG1 VAL 86 HG1 VAL 86 1.723 13.961 -3.289 679 2HG1 VAL 86 HG1 VAL 86 2.274 15.069 -4.545 680 3HG1 VAL 86 HG1 VAL 86 3.415 14.454 -3.349 681 1HG2 VAL 86 HG2 VAL 86 1.350 11.566 -4.494 682 2HG2 VAL 86 HG2 VAL 86 2.468 11.796 -3.149 683 3HG2 VAL 86 HG2 VAL 86 2.987 10.916 -4.588 684 H GLY 87 HN GLY 87 4.640 13.763 -6.701 685 1HA GLY 87 HA1 GLY 87 3.989 16.348 -7.979 686 2HA GLY 87 HA2 GLY 87 5.357 16.153 -6.894 687 HA PRO 88 HA PRO 88 7.058 15.889 -11.198 688 1HB PRO 88 HB2 PRO 88 9.480 16.520 -9.590 689 2HB PRO 88 HB1 PRO 88 8.928 17.218 -11.116 690 1HG PRO 88 HG2 PRO 88 8.687 18.576 -8.838 691 2HG PRO 88 HG1 PRO 88 7.415 18.635 -10.072 692 1HD PRO 88 HD2 PRO 88 7.490 17.126 -7.492 693 2HD PRO 88 HD1 PRO 88 6.127 17.948 -8.280 694 H SER 89 HN SER 89 9.337 15.033 -8.609 695 HA SER 89 HA SER 89 9.691 12.418 -9.877 696 1HB SER 89 HB1 SER 89 11.500 13.142 -7.671 697 2HB SER 89 HB2 SER 89 11.874 12.512 -9.274 698 HG SER 89 HG SER 89 11.786 15.106 -8.379 699 H GLU 90 HN GLU 90 7.860 13.688 -7.522 700 HA GLU 90 HA GLU 90 8.187 11.514 -5.599 701 1HB GLU 90 HB2 GLU 90 5.961 13.247 -5.013 702 2HB GLU 90 HB1 GLU 90 7.426 12.971 -4.082 703 1HG GLU 90 HG2 GLU 90 7.321 14.851 -6.422 704 2HG GLU 90 HG1 GLU 90 6.949 15.351 -4.773 705 H TRP 91 HN TRP 91 6.824 9.816 -5.431 706 HA TRP 91 HA TRP 91 4.259 9.921 -6.843 707 1HB TRP 91 HB2 TRP 91 6.092 7.534 -7.103 708 2HB TRP 91 HB1 TRP 91 4.605 7.858 -7.988 709 HD1 TRP 91 HD1 TRP 91 4.774 10.092 -9.705 710 HE1 TRP 91 HE1 TRP 91 6.742 10.763 -11.222 711 HE3 TRP 91 HE3 TRP 91 8.511 7.475 -7.393 712 HZ2 TRP 91 HZ2 TRP 91 9.512 10.251 -11.413 713 HZ3 TRP 91 HZ3 TRP 91 10.791 7.621 -8.307 714 HH2 TRP 91 HH2 TRP 91 11.280 8.979 -10.274 715 H LYS 92 HN LYS 92 2.775 8.192 -6.194 716 HA LYS 92 HA LYS 92 3.388 7.127 -3.525 717 1HB LYS 92 HB2 LYS 92 1.747 9.096 -3.624 718 2HB LYS 92 HB1 LYS 92 0.633 7.979 -4.399 719 1HG LYS 92 HG2 LYS 92 0.546 6.596 -2.485 720 2HG LYS 92 HG1 LYS 92 1.901 7.441 -1.734 721 1HD LYS 92 HD1 LYS 92 -0.622 8.899 -2.438 722 2HD LYS 92 HD2 LYS 92 -0.497 7.981 -0.935 723 1HE LYS 92 HE1 LYS 92 1.267 9.329 -0.141 724 2HE LYS 92 HE2 LYS 92 1.538 10.046 -1.730 725 1HZ LYS 92 HZ1 LYS 92 -1.045 10.669 -1.195 726 2HZ LYS 92 HZ2 LYS 92 0.277 11.703 -0.983 727 3HZ LYS 92 HZ3 LYS 92 -0.315 10.808 0.325 728 H ILE 93 HN ILE 93 3.197 4.991 -3.368 729 HA ILE 93 HA ILE 93 1.542 3.590 -5.363 730 HB ILE 93 HB ILE 93 4.154 2.590 -4.225 731 1HG1 ILE 93 HG1 ILE 93 4.620 2.837 -6.870 732 2HG1 ILE 93 HG1 ILE 93 3.484 4.165 -6.652 733 1HG2 ILE 93 HG2 ILE 93 2.110 1.432 -6.060 734 2HG2 ILE 93 HG2 ILE 93 3.008 0.669 -4.747 735 3HG2 ILE 93 HG2 ILE 93 3.808 1.009 -6.282 736 1HD1 ILE 93 HD1 ILE 93 5.086 4.725 -4.632 737 2HD1 ILE 93 HD1 ILE 93 5.433 5.260 -6.276 738 3HD1 ILE 93 HD1 ILE 93 6.240 3.833 -5.623 739 H TYR 94 HN TYR 94 0.521 1.684 -4.692 740 HA TYR 94 HA TYR 94 0.370 1.340 -1.773 741 1HB TYR 94 HB1 TYR 94 -1.747 1.460 -3.865 742 2HB TYR 94 HB2 TYR 94 -1.988 0.340 -2.529 743 HD1 TYR 94 HD1 TYR 94 -1.036 3.908 -3.120 744 HD2 TYR 94 HD2 TYR 94 -3.079 1.111 -0.649 745 HE1 TYR 94 HE1 TYR 94 -1.872 5.756 -1.730 746 HE2 TYR 94 HE2 TYR 94 -3.921 2.952 0.748 747 HH TYR 94 HH TYR 94 -4.375 5.496 0.367 748 H ILE 95 HN ILE 95 0.847 -0.590 -1.006 749 HA ILE 95 HA ILE 95 0.967 -2.874 -2.862 750 HB ILE 95 HB ILE 95 3.044 -1.670 -1.345 751 1HG1 ILE 95 HG1 ILE 95 4.385 -3.557 -2.381 752 2HG1 ILE 95 HG1 ILE 95 2.865 -4.175 -3.018 753 1HG2 ILE 95 HG2 ILE 95 3.901 -3.515 -0.022 754 2HG2 ILE 95 HG2 ILE 95 2.482 -4.485 -0.421 755 3HG2 ILE 95 HG2 ILE 95 2.307 -3.029 0.557 756 1HD1 ILE 95 HD1 ILE 95 4.547 -2.054 -4.001 757 2HD1 ILE 95 HD1 ILE 95 2.887 -1.506 -3.760 758 3HD1 ILE 95 HD1 ILE 95 3.215 -2.900 -4.790 759 H LYS 96 HN LYS 96 0.433 -4.944 -2.018 760 HA LYS 96 HA LYS 96 -0.636 -5.065 0.684 761 1HB LYS 96 HB2 LYS 96 -2.635 -4.321 -0.196 762 2HB LYS 96 HB1 LYS 96 -2.349 -5.064 -1.763 763 1HG LYS 96 HG1 LYS 96 -2.592 -7.071 0.287 764 2HG LYS 96 HG2 LYS 96 -3.995 -5.998 0.277 765 1HD LYS 96 HD1 LYS 96 -3.361 -6.572 -2.415 766 2HD LYS 96 HD2 LYS 96 -3.332 -8.102 -1.536 767 1HE LYS 96 HE1 LYS 96 -5.561 -7.742 -0.721 768 2HE LYS 96 HE2 LYS 96 -5.593 -6.115 -1.401 769 1HZ LYS 96 HZ1 LYS 96 -5.132 -8.405 -3.183 770 2HZ LYS 96 HZ2 LYS 96 -5.841 -6.907 -3.521 771 3HZ LYS 96 HZ3 LYS 96 -6.706 -8.075 -2.657 772 H VAL 97 HN VAL 97 0.496 -6.771 1.360 773 HA VAL 97 HA VAL 97 1.276 -8.964 -0.239 774 HB VAL 97 HB VAL 97 0.908 -9.177 2.734 775 1HG1 VAL 97 HG2 VAL 97 3.219 -10.168 1.108 776 2HG1 VAL 97 HG2 VAL 97 1.704 -11.070 1.173 777 3HG1 VAL 97 HG2 VAL 97 2.607 -10.758 2.655 778 1HG2 VAL 97 HG1 VAL 97 2.771 -7.914 3.228 779 2HG2 VAL 97 HG1 VAL 97 2.035 -6.972 1.931 780 3HG2 VAL 97 HG1 VAL 97 3.411 -8.020 1.587 781 H LYS 98 HN LYS 98 0.029 -10.519 -1.049 782 HA LYS 98 HA LYS 98 -2.694 -10.830 -0.404 783 1HB LYS 98 HB2 LYS 98 -0.719 -12.290 -2.079 784 2HB LYS 98 HB1 LYS 98 -2.183 -13.153 -1.635 785 1HG LYS 98 HG2 LYS 98 -3.481 -11.921 -2.991 786 2HG LYS 98 HG1 LYS 98 -2.598 -10.429 -2.654 787 1HD LYS 98 HD1 LYS 98 -0.842 -11.058 -4.168 788 2HD LYS 98 HD2 LYS 98 -1.559 -12.654 -4.402 789 1HE LYS 98 HE2 LYS 98 -3.412 -11.751 -5.568 790 2HE LYS 98 HE1 LYS 98 -2.997 -10.105 -5.093 791 1HZ LYS 98 HZ1 LYS 98 -1.994 -11.693 -7.274 792 2HZ LYS 98 HZ2 LYS 98 -0.776 -10.925 -6.386 793 3HZ LYS 98 HZ3 LYS 98 -2.018 -10.013 -7.082
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