data_5106_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5106
_Entry.PDB_ID 1RYJ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 10 . 1 1 1 A 2 2 VAL N N 5 122.400 117.370 5.030 1
1 11 . 1 1 1 A 2 2 VAL H H 5 8.290 8.199 0.091 1
1 12 . 1 1 1 A 2 2 VAL CA C 5 62.400 61.839 0.561 1
1 13 . 1 1 1 A 2 2 VAL HA H 5 4.120 4.428 -0.308 1
1 14 . 1 1 1 A 2 2 VAL CB C 5 32.600 33.193 -0.593 1
1 24 . 1 1 1 A 2 2 VAL C C 5 175.700 175.389 0.311 1
1 25 . 1 1 1 A 3 3 ILE N N 6 125.000 124.535 0.465 1
1 26 . 1 1 1 A 3 3 ILE H H 6 8.240 8.671 -0.431 1
1 27 . 1 1 1 A 3 3 ILE CA C 6 60.900 60.069 0.831 1
1 28 . 1 1 1 A 3 3 ILE HA H 6 4.210 4.712 -0.502 1
1 29 . 1 1 1 A 3 3 ILE CB C 6 38.700 39.182 -0.482 1
1 42 . 1 1 1 A 3 3 ILE C C 6 176.000 175.590 0.410 1
1 43 . 1 1 1 A 4 4 GLY N N 7 112.900 109.876 3.024 1
1 44 . 1 1 1 A 4 4 GLY H H 7 8.330 8.463 -0.133 1
1 45 . 1 1 1 A 4 4 GLY CA C 7 45.300 45.697 -0.397 1
1 46 . 1 1 1 A 4 4 GLY HA2 H 7 4.140 4.147 -0.007 1
1 47 . 1 1 1 A 4 4 GLY HA3 H 7 4.020 4.152 -0.132 1
1 48 . 1 1 1 A 4 4 GLY C C 7 172.800 172.229 0.571 1
1 49 . 1 1 1 A 5 5 MET N N 8 118.400 122.810 -4.410 1
1 50 . 1 1 1 A 5 5 MET H H 8 8.540 9.562 -1.022 1
1 51 . 1 1 1 A 5 5 MET CA C 8 54.800 53.446 1.354 1
1 52 . 1 1 1 A 5 5 MET HA H 8 4.820 5.584 -0.764 1
1 53 . 1 1 1 A 5 5 MET CB C 8 35.500 34.501 0.999 1
1 63 . 1 1 1 A 5 5 MET C C 8 174.100 174.495 -0.395 1
1 64 . 1 1 1 A 6 6 LYS N N 9 122.000 124.339 -2.339 1
1 65 . 1 1 1 A 6 6 LYS H H 9 9.150 9.454 -0.304 1
1 66 . 1 1 1 A 6 6 LYS CA C 9 55.100 54.765 0.335 1
1 67 . 1 1 1 A 6 6 LYS HA H 9 5.430 5.122 0.308 1
1 68 . 1 1 1 A 6 6 LYS CB C 9 36.100 35.252 0.848 1
1 80 . 1 1 1 A 6 6 LYS C C 9 174.500 175.242 -0.742 1
1 81 . 1 1 1 A 7 7 PHE N N 10 119.300 122.233 -2.933 1
1 82 . 1 1 1 A 7 7 PHE H H 10 8.670 8.507 0.163 1
1 83 . 1 1 1 A 7 7 PHE CA C 10 55.700 55.737 -0.037 1
1 84 . 1 1 1 A 7 7 PHE HA H 10 5.190 5.535 -0.345 1
1 85 . 1 1 1 A 7 7 PHE CB C 10 40.100 42.762 -2.662 1
1 92 . 1 1 1 A 7 7 PHE C C 10 172.400 172.473 -0.073 1
1 93 . 1 1 1 A 8 8 THR N N 11 116.500 115.118 1.382 1
1 94 . 1 1 1 A 8 8 THR H H 11 8.440 8.590 -0.150 1
1 95 . 1 1 1 A 8 8 THR CA C 11 62.200 59.385 2.815 1
1 96 . 1 1 1 A 8 8 THR HA H 11 5.070 5.513 -0.443 1
1 97 . 1 1 1 A 8 8 THR CB C 11 70.800 71.211 -0.411 1
1 103 . 1 1 1 A 8 8 THR C C 11 173.300 172.852 0.448 1
1 104 . 1 1 1 A 9 9 VAL N N 12 126.200 127.553 -1.353 1
1 105 . 1 1 1 A 9 9 VAL H H 12 9.400 9.068 0.332 1
1 106 . 1 1 1 A 9 9 VAL CA C 12 60.700 60.968 -0.268 1
1 107 . 1 1 1 A 9 9 VAL HA H 12 5.090 5.398 -0.308 1
1 108 . 1 1 1 A 9 9 VAL CB C 12 34.100 33.306 0.794 1
1 118 . 1 1 1 A 9 9 VAL C C 12 174.500 174.164 0.336 1
1 119 . 1 1 1 A 10 10 ILE N N 13 129.600 129.395 0.205 1
1 120 . 1 1 1 A 10 10 ILE H H 13 9.560 9.030 0.530 1
1 121 . 1 1 1 A 10 10 ILE CA C 13 61.400 59.707 1.693 1
1 122 . 1 1 1 A 10 10 ILE HA H 13 4.640 5.196 -0.556 1
1 123 . 1 1 1 A 10 10 ILE CB C 13 39.700 40.363 -0.663 1
1 136 . 1 1 1 A 10 10 ILE C C 13 175.200 174.273 0.927 1
1 137 . 1 1 1 A 11 11 THR N N 14 116.800 122.978 -6.178 1
1 138 . 1 1 1 A 11 11 THR H H 14 8.430 8.736 -0.306 1
1 139 . 1 1 1 A 11 11 THR CA C 14 59.200 60.956 -1.756 1
1 140 . 1 1 1 A 11 11 THR HA H 14 5.160 4.806 0.354 1
1 141 . 1 1 1 A 11 11 THR CB C 14 71.900 72.351 -0.451 1
1 147 . 1 1 1 A 11 11 THR C C 14 175.800 174.259 1.541 1
1 148 . 1 1 1 A 12 12 ASP N N 15 120.000 122.225 -2.225 1
1 149 . 1 1 1 A 12 12 ASP H H 15 9.010 8.916 0.094 1
1 150 . 1 1 1 A 12 12 ASP CA C 15 56.900 57.200 -0.300 1
1 151 . 1 1 1 A 12 12 ASP HA H 15 4.440 4.350 0.090 1
1 152 . 1 1 1 A 12 12 ASP CB C 15 40.900 40.377 0.523 1
1 155 . 1 1 1 A 12 12 ASP C C 15 176.600 177.603 -1.003 1
1 156 . 1 1 1 A 13 13 ASP N N 16 115.300 117.552 -2.252 1
1 157 . 1 1 1 A 13 13 ASP H H 16 8.090 7.929 0.161 1
1 158 . 1 1 1 A 13 13 ASP CA C 16 53.400 54.157 -0.757 1
1 159 . 1 1 1 A 13 13 ASP HA H 16 4.730 4.648 0.082 1
1 160 . 1 1 1 A 13 13 ASP CB C 16 41.800 41.229 0.571 1
1 163 . 1 1 1 A 13 13 ASP C C 16 175.700 176.243 -0.543 1
1 164 . 1 1 1 A 14 14 GLY N N 17 108.000 107.145 0.855 1
1 165 . 1 1 1 A 14 14 GLY H H 17 7.610 8.069 -0.459 1
1 166 . 1 1 1 A 14 14 GLY CA C 17 44.900 43.927 0.973 1
1 167 . 1 1 1 A 14 14 GLY HA2 H 17 4.450 4.064 0.386 1
1 168 . 1 1 1 A 14 14 GLY HA3 H 17 3.860 4.066 -0.206 1
1 169 . 1 1 1 A 14 14 GLY C C 17 171.800 173.534 -1.734 1
1 170 . 1 1 1 A 15 15 LYS N N 18 120.600 120.902 -0.302 1
1 171 . 1 1 1 A 15 15 LYS H H 18 8.430 8.319 0.111 1
1 172 . 1 1 1 A 15 15 LYS CA C 18 55.400 56.263 -0.863 1
1 173 . 1 1 1 A 15 15 LYS HA H 18 5.080 4.390 0.690 1
1 174 . 1 1 1 A 15 15 LYS CB C 18 34.600 33.099 1.501 1
1 186 . 1 1 1 A 15 15 LYS C C 18 175.600 175.656 -0.056 1
1 187 . 1 1 1 A 16 16 LYS N N 19 125.700 124.765 0.935 1
1 188 . 1 1 1 A 16 16 LYS H H 19 9.160 9.111 0.049 1
1 189 . 1 1 1 A 16 16 LYS CA C 19 55.000 55.310 -0.310 1
1 190 . 1 1 1 A 16 16 LYS HA H 19 4.620 4.833 -0.213 1
1 191 . 1 1 1 A 16 16 LYS CB C 19 36.100 33.765 2.335 1
1 201 . 1 1 1 A 16 16 LYS C C 19 174.000 175.456 -1.456 1
1 202 . 1 1 1 A 17 17 ILE N N 20 123.800 125.784 -1.984 1
1 203 . 1 1 1 A 17 17 ILE H H 20 8.420 8.922 -0.502 1
1 204 . 1 1 1 A 17 17 ILE CA C 20 60.400 59.629 0.771 1
1 205 . 1 1 1 A 17 17 ILE HA H 20 4.620 4.763 -0.143 1
1 206 . 1 1 1 A 17 17 ILE CB C 20 37.900 38.287 -0.387 1
1 219 . 1 1 1 A 17 17 ILE C C 20 175.700 175.020 0.680 1
1 220 . 1 1 1 A 18 18 LEU N N 21 130.500 124.659 5.841 1
1 221 . 1 1 1 A 18 18 LEU H H 21 8.600 8.458 0.142 1
1 222 . 1 1 1 A 18 18 LEU CA C 21 53.500 53.050 0.450 1
1 223 . 1 1 1 A 18 18 LEU HA H 21 4.490 5.087 -0.597 1
1 224 . 1 1 1 A 18 18 LEU CB C 21 44.500 45.801 -1.301 1
1 236 . 1 1 1 A 18 18 LEU C C 21 174.000 175.196 -1.196 1
1 237 . 1 1 1 A 19 19 GLU N N 22 116.200 120.696 -4.496 1
1 238 . 1 1 1 A 19 19 GLU H H 22 7.940 8.786 -0.846 1
1 239 . 1 1 1 A 19 19 GLU CA C 22 53.800 54.538 -0.738 1
1 240 . 1 1 1 A 19 19 GLU HA H 22 5.280 5.154 0.126 1
1 241 . 1 1 1 A 19 19 GLU CB C 22 33.400 32.960 0.440 1
1 247 . 1 1 1 A 19 19 GLU C C 22 176.600 174.487 2.113 1
1 248 . 1 1 1 A 20 20 SER N N 23 114.700 117.640 -2.940 1
1 249 . 1 1 1 A 20 20 SER H H 23 8.630 9.268 -0.638 1
1 250 . 1 1 1 A 20 20 SER CA C 23 57.400 56.227 1.173 1
1 251 . 1 1 1 A 20 20 SER HA H 23 4.780 5.157 -0.377 1
1 252 . 1 1 1 A 20 20 SER CB C 23 65.900 65.459 0.441 1
1 255 . 1 1 1 A 20 20 SER C C 23 174.100 176.000 -1.900 1
1 256 . 1 1 1 A 21 21 GLY N N 24 109.400 113.832 -4.432 1
1 257 . 1 1 1 A 21 21 GLY H H 24 8.340 8.736 -0.396 1
1 258 . 1 1 1 A 21 21 GLY CA C 24 45.100 47.130 -2.030 1
1 259 . 1 1 1 A 21 21 GLY HA2 H 24 4.470 3.854 0.616 1
1 260 . 1 1 1 A 21 21 GLY HA3 H 24 3.790 3.860 -0.070 1
1 261 . 1 1 1 A 21 21 GLY C C 24 172.600 174.348 -1.748 1
1 262 . 1 1 1 A 22 22 ALA N N 25 122.500 122.846 -0.346 1
1 263 . 1 1 1 A 22 22 ALA H H 25 7.790 7.726 0.064 1
1 264 . 1 1 1 A 22 22 ALA CA C 25 49.900 48.899 1.001 1
1 265 . 1 1 1 A 22 22 ALA HA H 25 4.780 4.540 0.240 1
1 269 . 1 1 1 A 22 22 ALA CB C 25 20.600 20.450 0.150 1
1 271 . 1 1 1 A 23 23 PRO CA C 26 63.700 62.972 0.728 1
1 272 . 1 1 1 A 23 23 PRO HA H 26 4.400 4.814 -0.414 1
1 273 . 1 1 1 A 23 23 PRO CB C 26 31.900 31.752 0.148 1
1 281 . 1 1 1 A 23 23 PRO C C 26 176.500 176.072 0.428 1
1 282 . 1 1 1 A 24 24 ARG N N 27 120.200 123.923 -3.723 1
1 283 . 1 1 1 A 24 24 ARG H H 27 7.810 8.067 -0.257 1
1 284 . 1 1 1 A 24 24 ARG CA C 27 53.800 54.240 -0.440 1
1 285 . 1 1 1 A 24 24 ARG HA H 27 4.680 4.776 -0.096 1
1 286 . 1 1 1 A 24 24 ARG CB C 27 35.600 33.524 2.076 1
1 295 . 1 1 1 A 24 24 ARG C C 27 174.300 174.193 0.107 1
1 296 . 1 1 1 A 25 25 ARG N N 28 119.300 121.010 -1.710 1
1 297 . 1 1 1 A 25 25 ARG H H 28 8.900 9.087 -0.187 1
1 298 . 1 1 1 A 25 25 ARG CA C 28 54.200 55.547 -1.347 1
1 299 . 1 1 1 A 25 25 ARG HA H 28 4.870 4.317 0.553 1
1 300 . 1 1 1 A 25 25 ARG CB C 28 32.200 31.765 0.435 1
1 309 . 1 1 1 A 25 25 ARG C C 28 178.300 177.466 0.834 1
1 310 . 1 1 1 A 26 26 ILE N N 29 123.500 124.917 -1.417 1
1 311 . 1 1 1 A 26 26 ILE H H 29 8.630 9.410 -0.780 1
1 312 . 1 1 1 A 26 26 ILE CA C 29 65.200 65.298 -0.098 1
1 313 . 1 1 1 A 26 26 ILE HA H 29 3.410 3.578 -0.168 1
1 314 . 1 1 1 A 26 26 ILE CB C 29 36.500 37.633 -1.133 1
1 327 . 1 1 1 A 26 26 ILE C C 29 178.600 177.869 0.731 1
1 328 . 1 1 1 A 27 27 LYS N N 30 115.100 120.531 -5.431 1
1 329 . 1 1 1 A 27 27 LYS H H 30 8.900 7.751 1.149 1
1 330 . 1 1 1 A 27 27 LYS CA C 30 59.300 59.103 0.197 1
1 331 . 1 1 1 A 27 27 LYS HA H 30 3.900 3.892 0.008 1
1 332 . 1 1 1 A 27 27 LYS CB C 30 31.700 32.078 -0.378 1
1 344 . 1 1 1 A 27 27 LYS C C 30 178.000 178.332 -0.332 1
1 345 . 1 1 1 A 28 28 ASP N N 31 119.700 119.108 0.592 1
1 346 . 1 1 1 A 28 28 ASP H H 31 7.180 7.795 -0.615 1
1 347 . 1 1 1 A 28 28 ASP CA C 31 56.900 57.015 -0.115 1
1 348 . 1 1 1 A 28 28 ASP HA H 31 4.480 4.373 0.107 1
1 349 . 1 1 1 A 28 28 ASP CB C 31 41.300 40.499 0.801 1
1 352 . 1 1 1 A 28 28 ASP C C 31 178.600 178.781 -0.181 1
1 353 . 1 1 1 A 29 29 VAL N N 32 122.100 119.330 2.770 1
1 354 . 1 1 1 A 29 29 VAL H H 32 7.410 7.576 -0.166 1
1 355 . 1 1 1 A 29 29 VAL CA C 32 65.900 66.467 -0.567 1
1 356 . 1 1 1 A 29 29 VAL HA H 32 3.730 3.627 0.103 1
1 357 . 1 1 1 A 29 29 VAL CB C 32 32.000 31.515 0.485 1
1 367 . 1 1 1 A 29 29 VAL C C 32 177.600 178.286 -0.686 1
1 368 . 1 1 1 A 30 30 LEU N N 33 118.000 120.875 -2.875 1
1 369 . 1 1 1 A 30 30 LEU H H 33 8.380 8.529 -0.149 1
1 370 . 1 1 1 A 30 30 LEU CA C 33 58.500 57.782 0.718 1
1 371 . 1 1 1 A 30 30 LEU HA H 33 3.910 3.963 -0.053 1
1 372 . 1 1 1 A 30 30 LEU CB C 33 39.200 41.746 -2.546 1
1 385 . 1 1 1 A 30 30 LEU C C 33 179.200 179.045 0.155 1
1 386 . 1 1 1 A 31 31 GLY N N 34 104.500 106.316 -1.816 1
1 387 . 1 1 1 A 31 31 GLY H H 34 7.730 8.447 -0.717 1
1 388 . 1 1 1 A 31 31 GLY CA C 34 47.100 47.324 -0.224 1
1 389 . 1 1 1 A 31 31 GLY HA2 H 34 3.940 3.752 0.188 1
1 390 . 1 1 1 A 31 31 GLY HA3 H 34 3.940 3.755 0.185 1
1 391 . 1 1 1 A 31 31 GLY C C 34 177.500 175.898 1.602 1
1 392 . 1 1 1 A 32 32 GLU N N 35 124.300 122.925 1.375 1
1 393 . 1 1 1 A 32 32 GLU H H 35 7.750 8.027 -0.277 1
1 394 . 1 1 1 A 32 32 GLU CA C 35 59.100 59.284 -0.184 1
1 395 . 1 1 1 A 32 32 GLU HA H 35 4.130 4.028 0.102 1
1 396 . 1 1 1 A 32 32 GLU CB C 35 29.800 29.594 0.206 1
1 402 . 1 1 1 A 32 32 GLU C C 35 178.300 178.433 -0.133 1
1 403 . 1 1 1 A 33 33 LEU N N 36 117.300 117.951 -0.651 1
1 404 . 1 1 1 A 33 33 LEU H H 36 7.750 7.785 -0.035 1
1 405 . 1 1 1 A 33 33 LEU CA C 36 55.000 55.027 -0.027 1
1 406 . 1 1 1 A 33 33 LEU HA H 36 4.270 4.272 -0.002 1
1 407 . 1 1 1 A 33 33 LEU CB C 36 42.100 42.309 -0.209 1
1 420 . 1 1 1 A 33 33 LEU C C 36 175.200 176.163 -0.963 1
1 421 . 1 1 1 A 34 34 GLU N N 37 115.500 119.006 -3.506 1
1 422 . 1 1 1 A 34 34 GLU H H 37 7.780 8.089 -0.309 1
1 423 . 1 1 1 A 34 34 GLU CA C 37 57.200 57.335 -0.135 1
1 424 . 1 1 1 A 34 34 GLU HA H 37 3.830 4.181 -0.351 1
1 425 . 1 1 1 A 34 34 GLU CB C 37 26.700 28.208 -1.508 1
1 431 . 1 1 1 A 34 34 GLU C C 37 175.300 175.180 0.120 1
1 432 . 1 1 1 A 35 35 ILE N N 38 121.300 119.983 1.317 1
1 433 . 1 1 1 A 35 35 ILE H H 38 8.010 7.939 0.071 1
1 434 . 1 1 1 A 35 35 ILE CA C 38 58.300 58.112 0.188 1
1 435 . 1 1 1 A 35 35 ILE HA H 38 4.410 4.363 0.047 1
1 436 . 1 1 1 A 35 35 ILE CB C 38 40.300 38.631 1.669 1
1 450 . 1 1 1 A 36 36 PRO CA C 39 62.400 63.031 -0.631 1
1 451 . 1 1 1 A 36 36 PRO HA H 39 4.470 4.585 -0.115 1
1 452 . 1 1 1 A 36 36 PRO CB C 39 31.600 31.678 -0.078 1
1 460 . 1 1 1 A 36 36 PRO C C 39 179.200 177.642 1.558 1
1 461 . 1 1 1 A 37 37 ILE N N 40 127.500 125.906 1.594 1
1 462 . 1 1 1 A 37 37 ILE H H 40 8.350 8.864 -0.514 1
1 463 . 1 1 1 A 37 37 ILE CA C 40 63.700 63.066 0.634 1
1 464 . 1 1 1 A 37 37 ILE HA H 40 3.750 4.034 -0.284 1
1 465 . 1 1 1 A 37 37 ILE CB C 40 38.600 37.928 0.672 1
1 478 . 1 1 1 A 37 37 ILE C C 40 176.100 176.973 -0.873 1
1 479 . 1 1 1 A 38 38 GLU N N 41 118.500 121.597 -3.097 1
1 480 . 1 1 1 A 38 38 GLU H H 41 9.370 7.928 1.442 1
1 481 . 1 1 1 A 38 38 GLU CA C 41 58.400 59.025 -0.625 1
1 482 . 1 1 1 A 38 38 GLU HA H 41 4.330 4.069 0.261 1
1 483 . 1 1 1 A 38 38 GLU CB C 41 28.500 29.608 -1.108 1
1 489 . 1 1 1 A 38 38 GLU C C 41 177.600 177.784 -0.184 1
1 490 . 1 1 1 A 39 39 THR N N 42 107.400 112.438 -5.038 1
1 491 . 1 1 1 A 39 39 THR H H 42 7.810 7.894 -0.084 1
1 492 . 1 1 1 A 39 39 THR CA C 42 61.600 62.033 -0.433 1
1 493 . 1 1 1 A 39 39 THR HA H 42 4.520 4.556 -0.036 1
1 494 . 1 1 1 A 39 39 THR CB C 42 70.300 71.107 -0.807 1
1 500 . 1 1 1 A 39 39 THR C C 42 174.000 173.769 0.231 1
1 501 . 1 1 1 A 40 40 VAL N N 43 112.000 118.748 -6.748 1
1 502 . 1 1 1 A 40 40 VAL H H 43 7.230 6.932 0.298 1
1 503 . 1 1 1 A 40 40 VAL CA C 43 59.100 58.960 0.140 1
1 504 . 1 1 1 A 40 40 VAL HA H 43 5.420 4.898 0.522 1
1 505 . 1 1 1 A 40 40 VAL CB C 43 36.400 35.151 1.249 1
1 515 . 1 1 1 A 40 40 VAL C C 43 175.200 174.284 0.916 1
1 516 . 1 1 1 A 41 41 VAL N N 44 120.400 123.572 -3.172 1
1 517 . 1 1 1 A 41 41 VAL H H 44 9.080 8.926 0.154 1
1 518 . 1 1 1 A 41 41 VAL CA C 44 61.500 61.664 -0.164 1
1 519 . 1 1 1 A 41 41 VAL HA H 44 4.230 4.518 -0.288 1
1 520 . 1 1 1 A 41 41 VAL CB C 44 34.600 32.937 1.663 1
1 530 . 1 1 1 A 41 41 VAL C C 44 174.000 175.192 -1.192 1
1 531 . 1 1 1 A 42 42 VAL N N 45 123.400 128.973 -5.573 1
1 532 . 1 1 1 A 42 42 VAL H H 45 8.820 8.987 -0.167 1
1 533 . 1 1 1 A 42 42 VAL CA C 45 60.000 61.389 -1.389 1
1 534 . 1 1 1 A 42 42 VAL HA H 45 5.120 4.668 0.452 1
1 535 . 1 1 1 A 42 42 VAL CB C 45 34.300 32.816 1.484 1
1 545 . 1 1 1 A 42 42 VAL C C 45 174.700 175.376 -0.676 1
1 546 . 1 1 1 A 43 43 LYS N N 46 121.700 126.738 -5.038 1
1 547 . 1 1 1 A 43 43 LYS H H 46 8.920 8.872 0.048 1
1 548 . 1 1 1 A 43 43 LYS CA C 46 53.800 54.271 -0.471 1
1 549 . 1 1 1 A 43 43 LYS HA H 46 5.180 5.377 -0.197 1
1 550 . 1 1 1 A 43 43 LYS CB C 46 36.900 35.888 1.012 1
1 562 . 1 1 1 A 43 43 LYS C C 46 175.600 175.284 0.316 1
1 563 . 1 1 1 A 44 44 LYS N N 47 122.300 122.451 -0.151 1
1 564 . 1 1 1 A 44 44 LYS H H 47 9.240 9.373 -0.133 1
1 565 . 1 1 1 A 44 44 LYS CA C 47 54.400 54.869 -0.469 1
1 566 . 1 1 1 A 44 44 LYS HA H 47 5.190 4.869 0.321 1
1 567 . 1 1 1 A 44 44 LYS CB C 47 36.100 32.812 3.288 1
1 578 . 1 1 1 A 44 44 LYS C C 47 176.000 177.008 -1.008 1
1 579 . 1 1 1 A 45 45 ASN N N 48 129.600 122.996 6.604 1
1 580 . 1 1 1 A 45 45 ASN H H 48 9.980 9.382 0.598 1
1 581 . 1 1 1 A 45 45 ASN CA C 48 54.300 54.123 0.177 1
1 582 . 1 1 1 A 45 45 ASN HA H 48 4.490 4.395 0.095 1
1 583 . 1 1 1 A 45 45 ASN CB C 48 37.200 37.549 -0.349 1
1 589 . 1 1 1 A 45 45 ASN C C 48 175.800 174.483 1.317 1
1 590 . 1 1 1 A 46 46 GLY N N 49 103.200 105.127 -1.927 1
1 591 . 1 1 1 A 46 46 GLY H H 49 9.340 8.361 0.979 1
1 592 . 1 1 1 A 46 46 GLY CA C 49 45.200 45.224 -0.024 1
1 593 . 1 1 1 A 46 46 GLY HA2 H 49 4.300 4.109 0.191 1
1 594 . 1 1 1 A 46 46 GLY HA3 H 49 3.650 4.110 -0.460 1
1 595 . 1 1 1 A 46 46 GLY C C 49 173.600 174.531 -0.931 1
1 596 . 1 1 1 A 47 47 GLN N N 50 119.700 120.096 -0.396 1
1 597 . 1 1 1 A 47 47 GLN H H 50 7.690 7.792 -0.102 1
1 598 . 1 1 1 A 47 47 GLN CA C 50 53.500 55.838 -2.338 1
1 599 . 1 1 1 A 47 47 GLN HA H 50 4.770 4.420 0.350 1
1 600 . 1 1 1 A 47 47 GLN CB C 50 31.300 29.816 1.484 1
1 606 . 1 1 1 A 47 47 GLN C C 50 175.000 175.615 -0.615 1
1 607 . 1 1 1 A 48 48 ILE N N 51 125.800 124.124 1.676 1
1 608 . 1 1 1 A 48 48 ILE H H 51 8.790 8.444 0.346 1
1 609 . 1 1 1 A 48 48 ILE CA C 51 63.000 61.477 1.523 1
1 610 . 1 1 1 A 48 48 ILE HA H 51 4.380 4.450 -0.070 1
1 611 . 1 1 1 A 48 48 ILE CB C 51 37.400 37.182 0.218 1
1 624 . 1 1 1 A 48 48 ILE C C 51 176.500 175.852 0.648 1
1 625 . 1 1 1 A 49 49 VAL N N 52 121.900 121.651 0.249 1
1 626 . 1 1 1 A 49 49 VAL H H 52 8.290 8.855 -0.565 1
1 627 . 1 1 1 A 49 49 VAL CA C 52 58.900 59.317 -0.417 1
1 628 . 1 1 1 A 49 49 VAL HA H 52 4.860 5.032 -0.172 1
1 629 . 1 1 1 A 49 49 VAL CB C 52 35.700 35.281 0.419 1
1 639 . 1 1 1 A 50 50 ILE N N 53 114.600 118.924 -4.324 1
1 640 . 1 1 1 A 50 50 ILE H H 53 8.020 8.352 -0.332 1
1 641 . 1 1 1 A 50 50 ILE CA C 53 60.500 58.954 1.546 1
1 642 . 1 1 1 A 50 50 ILE HA H 53 4.610 4.498 0.112 1
1 643 . 1 1 1 A 50 50 ILE CB C 53 39.500 40.004 -0.504 1
1 656 . 1 1 1 A 50 50 ILE C C 53 177.000 176.801 0.199 1
1 657 . 1 1 1 A 51 51 ASP N N 54 118.300 120.976 -2.676 1
1 658 . 1 1 1 A 51 51 ASP H H 54 8.390 8.855 -0.465 1
1 659 . 1 1 1 A 51 51 ASP CA C 54 56.300 54.629 1.671 1
1 660 . 1 1 1 A 51 51 ASP HA H 54 4.010 4.519 -0.509 1
1 661 . 1 1 1 A 51 51 ASP CB C 54 40.200 39.392 0.808 1
1 664 . 1 1 1 A 51 51 ASP C C 54 176.300 176.844 -0.544 1
1 665 . 1 1 1 A 52 52 GLU N N 55 116.900 119.384 -2.484 1
1 666 . 1 1 1 A 52 52 GLU H H 55 7.100 7.978 -0.878 1
1 667 . 1 1 1 A 52 52 GLU CA C 55 56.000 57.939 -1.939 1
1 668 . 1 1 1 A 52 52 GLU HA H 55 4.200 4.335 -0.135 1
1 669 . 1 1 1 A 52 52 GLU CB C 55 30.000 29.770 0.230 1
1 675 . 1 1 1 A 52 52 GLU C C 55 175.700 176.859 -1.159 1
1 676 . 1 1 1 A 53 53 GLU N N 56 120.300 119.416 0.884 1
1 677 . 1 1 1 A 53 53 GLU H H 56 7.570 7.512 0.058 1
1 678 . 1 1 1 A 53 53 GLU CA C 56 57.400 56.059 1.341 1
1 679 . 1 1 1 A 53 53 GLU HA H 56 4.090 4.471 -0.381 1
1 680 . 1 1 1 A 53 53 GLU CB C 56 30.300 30.940 -0.640 1
1 686 . 1 1 1 A 53 53 GLU C C 56 175.400 176.190 -0.790 1
1 687 . 1 1 1 A 54 54 GLU N N 57 123.400 120.181 3.219 1
1 688 . 1 1 1 A 54 54 GLU H H 57 8.430 8.662 -0.232 1
1 689 . 1 1 1 A 54 54 GLU CA C 57 56.500 55.014 1.486 1
1 690 . 1 1 1 A 54 54 GLU HA H 57 4.320 4.584 -0.264 1
1 691 . 1 1 1 A 54 54 GLU CB C 57 32.200 30.873 1.327 1
1 697 . 1 1 1 A 54 54 GLU C C 57 174.300 175.437 -1.137 1
1 698 . 1 1 1 A 55 55 ILE N N 58 122.000 120.726 1.274 1
1 699 . 1 1 1 A 55 55 ILE H H 58 7.850 8.269 -0.419 1
1 700 . 1 1 1 A 55 55 ILE CA C 58 60.400 59.880 0.520 1
1 701 . 1 1 1 A 55 55 ILE HA H 58 3.770 4.675 -0.905 1
1 702 . 1 1 1 A 55 55 ILE CB C 58 40.100 39.347 0.753 1
1 715 . 1 1 1 A 55 55 ILE C C 58 172.900 174.598 -1.698 1
1 716 . 1 1 1 A 56 56 PHE N N 59 124.500 124.592 -0.092 1
1 717 . 1 1 1 A 56 56 PHE H H 59 8.970 8.906 0.064 1
1 718 . 1 1 1 A 56 56 PHE CA C 59 55.900 56.248 -0.348 1
1 719 . 1 1 1 A 56 56 PHE HA H 59 4.820 4.937 -0.117 1
1 720 . 1 1 1 A 56 56 PHE CB C 59 41.900 43.221 -1.321 1
1 727 . 1 1 1 A 56 56 PHE C C 59 175.100 174.356 0.744 1
1 728 . 1 1 1 A 57 57 ASP N N 60 117.300 123.579 -6.279 1
1 729 . 1 1 1 A 57 57 ASP H H 60 8.320 8.843 -0.523 1
1 730 . 1 1 1 A 57 57 ASP CA C 60 56.400 55.930 0.470 1
1 731 . 1 1 1 A 57 57 ASP HA H 60 4.630 4.478 0.152 1
1 732 . 1 1 1 A 57 57 ASP CB C 60 42.700 40.522 2.178 1
1 735 . 1 1 1 A 57 57 ASP C C 60 177.900 177.006 0.894 1
1 736 . 1 1 1 A 58 58 GLY N N 61 114.600 114.070 0.530 1
1 737 . 1 1 1 A 58 58 GLY H H 61 9.700 9.291 0.409 1
1 738 . 1 1 1 A 58 58 GLY CA C 61 45.100 45.252 -0.152 1
1 739 . 1 1 1 A 58 58 GLY HA2 H 61 4.420 3.988 0.432 1
1 740 . 1 1 1 A 58 58 GLY HA3 H 61 3.770 3.996 -0.226 1
1 741 . 1 1 1 A 58 58 GLY C C 61 174.900 174.014 0.886 1
1 742 . 1 1 1 A 59 59 ASP N N 62 122.200 121.541 0.659 1
1 743 . 1 1 1 A 59 59 ASP H H 62 8.350 8.136 0.214 1
1 744 . 1 1 1 A 59 59 ASP CA C 62 55.900 53.596 2.304 1
1 745 . 1 1 1 A 59 59 ASP HA H 62 4.940 4.943 -0.003 1
1 746 . 1 1 1 A 59 59 ASP CB C 62 42.500 42.310 0.190 1
1 749 . 1 1 1 A 59 59 ASP C C 62 176.000 175.718 0.282 1
1 750 . 1 1 1 A 60 60 ILE N N 63 119.100 125.611 -6.511 1
1 751 . 1 1 1 A 60 60 ILE H H 63 8.400 8.838 -0.438 1
1 752 . 1 1 1 A 60 60 ILE CA C 63 60.700 60.233 0.467 1
1 753 . 1 1 1 A 60 60 ILE HA H 63 4.690 4.818 -0.128 1
1 754 . 1 1 1 A 60 60 ILE CB C 63 39.700 39.677 0.023 1
1 767 . 1 1 1 A 60 60 ILE C C 63 175.400 174.617 0.783 1
1 768 . 1 1 1 A 61 61 ILE N N 64 130.300 128.945 1.355 1
1 769 . 1 1 1 A 61 61 ILE H H 64 9.550 9.623 -0.073 1
1 770 . 1 1 1 A 61 61 ILE CA C 64 58.300 60.356 -2.056 1
1 771 . 1 1 1 A 61 61 ILE HA H 64 5.230 4.874 0.356 1
1 772 . 1 1 1 A 61 61 ILE CB C 64 38.700 38.474 0.226 1
1 785 . 1 1 1 A 61 61 ILE C C 64 174.400 174.707 -0.307 1
1 786 . 1 1 1 A 62 62 GLU N N 65 126.800 127.769 -0.969 1
1 787 . 1 1 1 A 62 62 GLU H H 65 9.340 9.457 -0.117 1
1 788 . 1 1 1 A 62 62 GLU CA C 65 54.500 55.593 -1.093 1
1 789 . 1 1 1 A 62 62 GLU HA H 65 5.080 4.748 0.332 1
1 790 . 1 1 1 A 62 62 GLU CB C 65 33.300 29.886 3.414 1
1 796 . 1 1 1 A 62 62 GLU C C 65 174.300 175.359 -1.059 1
1 797 . 1 1 1 A 63 63 VAL N N 66 124.300 125.844 -1.544 1
1 798 . 1 1 1 A 63 63 VAL H H 66 8.710 8.538 0.172 1
1 799 . 1 1 1 A 63 63 VAL CA C 66 61.900 62.414 -0.514 1
1 800 . 1 1 1 A 63 63 VAL HA H 66 4.420 4.643 -0.223 1
1 801 . 1 1 1 A 63 63 VAL CB C 66 32.600 31.224 1.376 1
1 811 . 1 1 1 A 63 63 VAL C C 66 175.300 175.220 0.080 1
1 812 . 1 1 1 A 64 64 ILE N N 67 131.200 128.540 2.660 1
1 813 . 1 1 1 A 64 64 ILE H H 67 9.180 9.460 -0.280 1
1 814 . 1 1 1 A 64 64 ILE CA C 67 60.200 60.368 -0.168 1
1 815 . 1 1 1 A 64 64 ILE HA H 67 4.360 4.674 -0.314 1
1 816 . 1 1 1 A 64 64 ILE CB C 67 40.400 37.813 2.587 1
1 829 . 1 1 1 A 64 64 ILE C C 67 175.300 175.163 0.137 1
1 830 . 1 1 1 A 65 65 ARG N N 68 126.900 127.248 -0.348 1
1 831 . 1 1 1 A 65 65 ARG H H 68 9.020 8.402 0.618 1
1 832 . 1 1 1 A 65 65 ARG CA C 68 57.200 56.074 1.126 1
1 833 . 1 1 1 A 65 65 ARG HA H 68 4.480 4.330 0.150 1
1 834 . 1 1 1 A 65 65 ARG CB C 68 30.500 30.431 0.069 1
1 843 . 1 1 1 A 65 65 ARG C C 68 176.800 175.399 1.401 1
1 844 . 1 1 1 A 66 66 VAL N N 69 122.300 124.223 -1.923 1
1 845 . 1 1 1 A 66 66 VAL H H 69 8.280 7.781 0.499 1
1 846 . 1 1 1 A 66 66 VAL CA C 69 62.200 62.412 -0.212 1
1 847 . 1 1 1 A 66 66 VAL HA H 69 4.100 4.344 -0.244 1
1 848 . 1 1 1 A 66 66 VAL CB C 69 32.800 33.089 -0.289 1
1 858 . 1 1 1 A 66 66 VAL C C 69 175.500 175.552 -0.052 1
1 859 . 1 1 1 A 67 67 ILE N N 70 124.000 128.439 -4.439 1
1 860 . 1 1 1 A 67 67 ILE H H 70 7.930 8.619 -0.689 1
1 861 . 1 1 1 A 67 67 ILE CA C 70 60.300 61.765 -1.465 1
1 862 . 1 1 1 A 67 67 ILE HA H 70 4.210 4.134 0.076 1
1 863 . 1 1 1 A 67 67 ILE CB C 70 38.900 38.408 0.492 1
1 876 . 1 1 1 A 67 67 ILE C C 70 175.500 176.458 -0.958 1
1 877 . 1 1 1 A 68 68 TYR N N 71 126.200 128.994 -2.794 1
1 878 . 1 1 1 A 68 68 TYR H H 71 8.450 9.128 -0.678 1
1 879 . 1 1 1 A 68 68 TYR CA C 71 57.900 58.888 -0.988 1
1 880 . 1 1 1 A 68 68 TYR HA H 71 4.590 4.185 0.405 1
1 881 . 1 1 1 A 68 68 TYR CB C 71 39.000 37.489 1.511 1
1 886 . 1 1 1 A 68 68 TYR C C 71 176.200 175.276 0.924 1
1 887 . 1 1 1 A 69 69 GLY N N 72 112.000 107.902 4.098 1
1 888 . 1 1 1 A 69 69 GLY H H 72 8.370 8.157 0.213 1
1 889 . 1 1 1 A 69 69 GLY CA C 72 45.300 46.748 -1.448 1
1 890 . 1 1 1 A 69 69 GLY HA2 H 72 3.910 3.806 0.104 1
1 891 . 1 1 1 A 69 69 GLY HA3 H 72 3.910 3.861 0.049 1
1 892 . 1 1 1 A 69 69 GLY C C 72 173.500 174.296 -0.796 1
1 10 . 2 1 1 A 2 2 VAL N N 5 122.400 125.767 -3.367 1
1 11 . 2 1 1 A 2 2 VAL H H 5 8.290 8.930 -0.640 1
1 12 . 2 1 1 A 2 2 VAL CA C 5 62.400 62.841 -0.441 1
1 13 . 2 1 1 A 2 2 VAL HA H 5 4.120 4.329 -0.209 1
1 14 . 2 1 1 A 2 2 VAL CB C 5 32.600 31.835 0.765 1
1 24 . 2 1 1 A 2 2 VAL C C 5 175.700 175.729 -0.029 1
1 25 . 2 1 1 A 3 3 ILE N N 6 125.000 122.629 2.371 1
1 26 . 2 1 1 A 3 3 ILE H H 6 8.240 8.606 -0.366 1
1 27 . 2 1 1 A 3 3 ILE CA C 6 60.900 59.151 1.749 1
1 28 . 2 1 1 A 3 3 ILE HA H 6 4.210 4.932 -0.722 1
1 29 . 2 1 1 A 3 3 ILE CB C 6 38.700 40.272 -1.572 1
1 42 . 2 1 1 A 3 3 ILE C C 6 176.000 174.996 1.004 1
1 43 . 2 1 1 A 4 4 GLY N N 7 112.900 110.378 2.522 1
1 44 . 2 1 1 A 4 4 GLY H H 7 8.330 8.312 0.018 1
1 45 . 2 1 1 A 4 4 GLY CA C 7 45.300 43.915 1.385 1
1 46 . 2 1 1 A 4 4 GLY HA2 H 7 4.140 4.127 0.013 1
1 47 . 2 1 1 A 4 4 GLY HA3 H 7 4.020 4.128 -0.108 1
1 48 . 2 1 1 A 4 4 GLY C C 7 172.800 172.545 0.255 1
1 49 . 2 1 1 A 5 5 MET N N 8 118.400 118.324 0.076 1
1 50 . 2 1 1 A 5 5 MET H H 8 8.540 8.449 0.091 1
1 51 . 2 1 1 A 5 5 MET CA C 8 54.800 54.223 0.577 1
1 52 . 2 1 1 A 5 5 MET HA H 8 4.820 5.405 -0.585 1
1 53 . 2 1 1 A 5 5 MET CB C 8 35.500 36.894 -1.394 1
1 63 . 2 1 1 A 5 5 MET C C 8 174.100 174.329 -0.229 1
1 64 . 2 1 1 A 6 6 LYS N N 9 122.000 124.646 -2.646 1
1 65 . 2 1 1 A 6 6 LYS H H 9 9.150 9.297 -0.147 1
1 66 . 2 1 1 A 6 6 LYS CA C 9 55.100 54.747 0.353 1
1 67 . 2 1 1 A 6 6 LYS HA H 9 5.430 4.904 0.526 1
1 68 . 2 1 1 A 6 6 LYS CB C 9 36.100 34.335 1.765 1
1 80 . 2 1 1 A 6 6 LYS C C 9 174.500 175.448 -0.948 1
1 81 . 2 1 1 A 7 7 PHE N N 10 119.300 122.709 -3.409 1
1 82 . 2 1 1 A 7 7 PHE H H 10 8.670 8.706 -0.036 1
1 83 . 2 1 1 A 7 7 PHE CA C 10 55.700 55.510 0.190 1
1 84 . 2 1 1 A 7 7 PHE HA H 10 5.190 5.551 -0.361 1
1 85 . 2 1 1 A 7 7 PHE CB C 10 40.100 42.050 -1.950 1
1 92 . 2 1 1 A 7 7 PHE C C 10 172.400 172.958 -0.558 1
1 93 . 2 1 1 A 8 8 THR N N 11 116.500 114.527 1.973 1
1 94 . 2 1 1 A 8 8 THR H H 11 8.440 8.432 0.008 1
1 95 . 2 1 1 A 8 8 THR CA C 11 62.200 61.491 0.709 1
1 96 . 2 1 1 A 8 8 THR HA H 11 5.070 5.124 -0.054 1
1 97 . 2 1 1 A 8 8 THR CB C 11 70.800 70.806 -0.006 1
1 103 . 2 1 1 A 8 8 THR C C 11 173.300 172.965 0.335 1
1 104 . 2 1 1 A 9 9 VAL N N 12 126.200 128.445 -2.245 1
1 105 . 2 1 1 A 9 9 VAL H H 12 9.400 9.664 -0.264 1
1 106 . 2 1 1 A 9 9 VAL CA C 12 60.700 60.010 0.690 1
1 107 . 2 1 1 A 9 9 VAL HA H 12 5.090 5.538 -0.448 1
1 108 . 2 1 1 A 9 9 VAL CB C 12 34.100 34.486 -0.386 1
1 118 . 2 1 1 A 9 9 VAL C C 12 174.500 173.886 0.614 1
1 119 . 2 1 1 A 10 10 ILE N N 13 129.600 130.035 -0.435 1
1 120 . 2 1 1 A 10 10 ILE H H 13 9.560 9.318 0.242 1
1 121 . 2 1 1 A 10 10 ILE CA C 13 61.400 59.548 1.852 1
1 122 . 2 1 1 A 10 10 ILE HA H 13 4.640 5.358 -0.718 1
1 123 . 2 1 1 A 10 10 ILE CB C 13 39.700 40.447 -0.747 1
1 136 . 2 1 1 A 10 10 ILE C C 13 175.200 174.361 0.839 1
1 137 . 2 1 1 A 11 11 THR N N 14 116.800 122.956 -6.156 1
1 138 . 2 1 1 A 11 11 THR H H 14 8.430 8.814 -0.384 1
1 139 . 2 1 1 A 11 11 THR CA C 14 59.200 60.958 -1.758 1
1 140 . 2 1 1 A 11 11 THR HA H 14 5.160 4.799 0.361 1
1 141 . 2 1 1 A 11 11 THR CB C 14 71.900 72.530 -0.630 1
1 147 . 2 1 1 A 11 11 THR C C 14 175.800 174.323 1.477 1
1 148 . 2 1 1 A 12 12 ASP N N 15 120.000 122.644 -2.644 1
1 149 . 2 1 1 A 12 12 ASP H H 15 9.010 8.833 0.177 1
1 150 . 2 1 1 A 12 12 ASP CA C 15 56.900 56.895 0.005 1
1 151 . 2 1 1 A 12 12 ASP HA H 15 4.440 4.364 0.076 1
1 152 . 2 1 1 A 12 12 ASP CB C 15 40.900 40.486 0.414 1
1 155 . 2 1 1 A 12 12 ASP C C 15 176.600 177.493 -0.893 1
1 156 . 2 1 1 A 13 13 ASP N N 16 115.300 116.808 -1.508 1
1 157 . 2 1 1 A 13 13 ASP H H 16 8.090 8.033 0.057 1
1 158 . 2 1 1 A 13 13 ASP CA C 16 53.400 54.013 -0.613 1
1 159 . 2 1 1 A 13 13 ASP HA H 16 4.730 4.712 0.018 1
1 160 . 2 1 1 A 13 13 ASP CB C 16 41.800 41.381 0.419 1
1 163 . 2 1 1 A 13 13 ASP C C 16 175.700 176.324 -0.624 1
1 164 . 2 1 1 A 14 14 GLY N N 17 108.000 106.699 1.301 1
1 165 . 2 1 1 A 14 14 GLY H H 17 7.610 7.699 -0.089 1
1 166 . 2 1 1 A 14 14 GLY CA C 17 44.900 44.111 0.789 1
1 167 . 2 1 1 A 14 14 GLY HA2 H 17 4.450 4.058 0.392 1
1 168 . 2 1 1 A 14 14 GLY HA3 H 17 3.860 4.060 -0.200 1
1 169 . 2 1 1 A 14 14 GLY C C 17 171.800 173.069 -1.269 1
1 170 . 2 1 1 A 15 15 LYS N N 18 120.600 121.452 -0.852 1
1 171 . 2 1 1 A 15 15 LYS H H 18 8.430 8.328 0.102 1
1 172 . 2 1 1 A 15 15 LYS CA C 18 55.400 55.207 0.193 1
1 173 . 2 1 1 A 15 15 LYS HA H 18 5.080 4.971 0.109 1
1 174 . 2 1 1 A 15 15 LYS CB C 18 34.600 33.201 1.399 1
1 186 . 2 1 1 A 15 15 LYS C C 18 175.600 174.569 1.031 1
1 187 . 2 1 1 A 16 16 LYS N N 19 125.700 126.219 -0.519 1
1 188 . 2 1 1 A 16 16 LYS H H 19 9.160 9.407 -0.247 1
1 189 . 2 1 1 A 16 16 LYS CA C 19 55.000 54.582 0.418 1
1 190 . 2 1 1 A 16 16 LYS HA H 19 4.620 4.950 -0.330 1
1 191 . 2 1 1 A 16 16 LYS CB C 19 36.100 34.188 1.912 1
1 201 . 2 1 1 A 16 16 LYS C C 19 174.000 175.458 -1.458 1
1 202 . 2 1 1 A 17 17 ILE N N 20 123.800 128.110 -4.310 1
1 203 . 2 1 1 A 17 17 ILE H H 20 8.420 8.588 -0.168 1
1 204 . 2 1 1 A 17 17 ILE CA C 20 60.400 61.278 -0.878 1
1 205 . 2 1 1 A 17 17 ILE HA H 20 4.620 4.458 0.162 1
1 206 . 2 1 1 A 17 17 ILE CB C 20 37.900 39.012 -1.112 1
1 219 . 2 1 1 A 17 17 ILE C C 20 175.700 174.231 1.469 1
1 220 . 2 1 1 A 18 18 LEU N N 21 130.500 131.135 -0.635 1
1 221 . 2 1 1 A 18 18 LEU H H 21 8.600 8.644 -0.044 1
1 222 . 2 1 1 A 18 18 LEU CA C 21 53.500 53.228 0.272 1
1 223 . 2 1 1 A 18 18 LEU HA H 21 4.490 4.853 -0.363 1
1 224 . 2 1 1 A 18 18 LEU CB C 21 44.500 45.424 -0.924 1
1 236 . 2 1 1 A 18 18 LEU C C 21 174.000 175.322 -1.322 1
1 237 . 2 1 1 A 19 19 GLU N N 22 116.200 121.675 -5.475 1
1 238 . 2 1 1 A 19 19 GLU H H 22 7.940 8.840 -0.900 1
1 239 . 2 1 1 A 19 19 GLU CA C 22 53.800 54.234 -0.434 1
1 240 . 2 1 1 A 19 19 GLU HA H 22 5.280 5.072 0.208 1
1 241 . 2 1 1 A 19 19 GLU CB C 22 33.400 33.361 0.039 1
1 247 . 2 1 1 A 19 19 GLU C C 22 176.600 175.185 1.415 1
1 248 . 2 1 1 A 20 20 SER N N 23 114.700 117.891 -3.191 1
1 249 . 2 1 1 A 20 20 SER H H 23 8.630 9.009 -0.379 1
1 250 . 2 1 1 A 20 20 SER CA C 23 57.400 57.783 -0.383 1
1 251 . 2 1 1 A 20 20 SER HA H 23 4.780 4.995 -0.215 1
1 252 . 2 1 1 A 20 20 SER CB C 23 65.900 66.178 -0.278 1
1 255 . 2 1 1 A 20 20 SER C C 23 174.100 174.552 -0.452 1
1 256 . 2 1 1 A 21 21 GLY N N 24 109.400 113.529 -4.129 1
1 257 . 2 1 1 A 21 21 GLY H H 24 8.340 8.857 -0.517 1
1 258 . 2 1 1 A 21 21 GLY CA C 24 45.100 45.545 -0.445 1
1 259 . 2 1 1 A 21 21 GLY HA2 H 24 4.470 3.841 0.629 1
1 260 . 2 1 1 A 21 21 GLY HA3 H 24 3.790 3.847 -0.057 1
1 261 . 2 1 1 A 21 21 GLY C C 24 172.600 173.899 -1.299 1
1 262 . 2 1 1 A 22 22 ALA N N 25 122.500 121.928 0.572 1
1 263 . 2 1 1 A 22 22 ALA H H 25 7.790 7.600 0.190 1
1 264 . 2 1 1 A 22 22 ALA CA C 25 49.900 49.302 0.598 1
1 265 . 2 1 1 A 22 22 ALA HA H 25 4.780 4.867 -0.087 1
1 269 . 2 1 1 A 22 22 ALA CB C 25 20.600 21.701 -1.101 1
1 271 . 2 1 1 A 23 23 PRO CA C 26 63.700 63.005 0.695 1
1 272 . 2 1 1 A 23 23 PRO HA H 26 4.400 4.755 -0.355 1
1 273 . 2 1 1 A 23 23 PRO CB C 26 31.900 31.667 0.233 1
1 281 . 2 1 1 A 23 23 PRO C C 26 176.500 176.067 0.433 1
1 282 . 2 1 1 A 24 24 ARG N N 27 120.200 124.187 -3.987 1
1 283 . 2 1 1 A 24 24 ARG H H 27 7.810 8.123 -0.313 1
1 284 . 2 1 1 A 24 24 ARG CA C 27 53.800 54.247 -0.447 1
1 285 . 2 1 1 A 24 24 ARG HA H 27 4.680 4.777 -0.097 1
1 286 . 2 1 1 A 24 24 ARG CB C 27 35.600 34.323 1.277 1
1 295 . 2 1 1 A 24 24 ARG C C 27 174.300 174.484 -0.184 1
1 296 . 2 1 1 A 25 25 ARG N N 28 119.300 123.999 -4.699 1
1 297 . 2 1 1 A 25 25 ARG H H 28 8.900 8.726 0.174 1
1 298 . 2 1 1 A 25 25 ARG CA C 28 54.200 55.422 -1.222 1
1 299 . 2 1 1 A 25 25 ARG HA H 28 4.870 4.312 0.558 1
1 300 . 2 1 1 A 25 25 ARG CB C 28 32.200 31.463 0.737 1
1 309 . 2 1 1 A 25 25 ARG C C 28 178.300 177.347 0.953 1
1 310 . 2 1 1 A 26 26 ILE N N 29 123.500 124.689 -1.189 1
1 311 . 2 1 1 A 26 26 ILE H H 29 8.630 9.030 -0.400 1
1 312 . 2 1 1 A 26 26 ILE CA C 29 65.200 65.340 -0.140 1
1 313 . 2 1 1 A 26 26 ILE HA H 29 3.410 3.562 -0.152 1
1 314 . 2 1 1 A 26 26 ILE CB C 29 36.500 37.753 -1.253 1
1 327 . 2 1 1 A 26 26 ILE C C 29 178.600 177.902 0.698 1
1 328 . 2 1 1 A 27 27 LYS N N 30 115.100 120.693 -5.593 1
1 329 . 2 1 1 A 27 27 LYS H H 30 8.900 8.077 0.823 1
1 330 . 2 1 1 A 27 27 LYS CA C 30 59.300 58.986 0.314 1
1 331 . 2 1 1 A 27 27 LYS HA H 30 3.900 3.918 -0.018 1
1 332 . 2 1 1 A 27 27 LYS CB C 30 31.700 32.070 -0.370 1
1 344 . 2 1 1 A 27 27 LYS C C 30 178.000 177.724 0.276 1
1 345 . 2 1 1 A 28 28 ASP N N 31 119.700 119.875 -0.175 1
1 346 . 2 1 1 A 28 28 ASP H H 31 7.180 7.841 -0.661 1
1 347 . 2 1 1 A 28 28 ASP CA C 31 56.900 57.537 -0.637 1
1 348 . 2 1 1 A 28 28 ASP HA H 31 4.480 4.420 0.060 1
1 349 . 2 1 1 A 28 28 ASP CB C 31 41.300 41.456 -0.156 1
1 352 . 2 1 1 A 28 28 ASP C C 31 178.600 178.811 -0.211 1
1 353 . 2 1 1 A 29 29 VAL N N 32 122.100 119.139 2.961 1
1 354 . 2 1 1 A 29 29 VAL H H 32 7.410 7.508 -0.098 1
1 355 . 2 1 1 A 29 29 VAL CA C 32 65.900 66.348 -0.448 1
1 356 . 2 1 1 A 29 29 VAL HA H 32 3.730 3.643 0.087 1
1 357 . 2 1 1 A 29 29 VAL CB C 32 32.000 31.477 0.523 1
1 367 . 2 1 1 A 29 29 VAL C C 32 177.600 178.111 -0.511 1
1 368 . 2 1 1 A 30 30 LEU N N 33 118.000 120.748 -2.748 1
1 369 . 2 1 1 A 30 30 LEU H H 33 8.380 8.696 -0.316 1
1 370 . 2 1 1 A 30 30 LEU CA C 33 58.500 57.782 0.718 1
1 371 . 2 1 1 A 30 30 LEU HA H 33 3.910 3.961 -0.051 1
1 372 . 2 1 1 A 30 30 LEU CB C 33 39.200 41.748 -2.548 1
1 385 . 2 1 1 A 30 30 LEU C C 33 179.200 179.052 0.148 1
1 386 . 2 1 1 A 31 31 GLY N N 34 104.500 106.562 -2.062 1
1 387 . 2 1 1 A 31 31 GLY H H 34 7.730 8.557 -0.827 1
1 388 . 2 1 1 A 31 31 GLY CA C 34 47.100 47.547 -0.447 1
1 389 . 2 1 1 A 31 31 GLY HA2 H 34 3.940 3.723 0.217 1
1 390 . 2 1 1 A 31 31 GLY HA3 H 34 3.940 3.724 0.216 1
1 391 . 2 1 1 A 31 31 GLY C C 34 177.500 175.966 1.534 1
1 392 . 2 1 1 A 32 32 GLU N N 35 124.300 121.983 2.317 1
1 393 . 2 1 1 A 32 32 GLU H H 35 7.750 7.648 0.102 1
1 394 . 2 1 1 A 32 32 GLU CA C 35 59.100 59.319 -0.219 1
1 395 . 2 1 1 A 32 32 GLU HA H 35 4.130 4.013 0.117 1
1 396 . 2 1 1 A 32 32 GLU CB C 35 29.800 29.607 0.193 1
1 402 . 2 1 1 A 32 32 GLU C C 35 178.300 178.707 -0.407 1
1 403 . 2 1 1 A 33 33 LEU N N 36 117.300 118.200 -0.900 1
1 404 . 2 1 1 A 33 33 LEU H H 36 7.750 7.784 -0.034 1
1 405 . 2 1 1 A 33 33 LEU CA C 36 55.000 55.254 -0.254 1
1 406 . 2 1 1 A 33 33 LEU HA H 36 4.270 4.202 0.068 1
1 407 . 2 1 1 A 33 33 LEU CB C 36 42.100 41.921 0.179 1
1 420 . 2 1 1 A 33 33 LEU C C 36 175.200 176.498 -1.298 1
1 421 . 2 1 1 A 34 34 GLU N N 37 115.500 118.596 -3.096 1
1 422 . 2 1 1 A 34 34 GLU H H 37 7.780 8.066 -0.286 1
1 423 . 2 1 1 A 34 34 GLU CA C 37 57.200 57.834 -0.634 1
1 424 . 2 1 1 A 34 34 GLU HA H 37 3.830 3.937 -0.107 1
1 425 . 2 1 1 A 34 34 GLU CB C 37 26.700 28.840 -2.140 1
1 431 . 2 1 1 A 34 34 GLU C C 37 175.300 175.067 0.233 1
1 432 . 2 1 1 A 35 35 ILE N N 38 121.300 120.221 1.079 1
1 433 . 2 1 1 A 35 35 ILE H H 38 8.010 7.528 0.482 1
1 434 . 2 1 1 A 35 35 ILE CA C 38 58.300 58.619 -0.319 1
1 435 . 2 1 1 A 35 35 ILE HA H 38 4.410 4.213 0.197 1
1 436 . 2 1 1 A 35 35 ILE CB C 38 40.300 38.435 1.865 1
1 450 . 2 1 1 A 36 36 PRO CA C 39 62.400 63.025 -0.625 1
1 451 . 2 1 1 A 36 36 PRO HA H 39 4.470 4.558 -0.088 1
1 452 . 2 1 1 A 36 36 PRO CB C 39 31.600 31.681 -0.081 1
1 460 . 2 1 1 A 36 36 PRO C C 39 179.200 177.677 1.523 1
1 461 . 2 1 1 A 37 37 ILE N N 40 127.500 125.811 1.689 1
1 462 . 2 1 1 A 37 37 ILE H H 40 8.350 8.902 -0.552 1
1 463 . 2 1 1 A 37 37 ILE CA C 40 63.700 63.099 0.601 1
1 464 . 2 1 1 A 37 37 ILE HA H 40 3.750 4.017 -0.267 1
1 465 . 2 1 1 A 37 37 ILE CB C 40 38.600 38.138 0.462 1
1 478 . 2 1 1 A 37 37 ILE C C 40 176.100 177.139 -1.039 1
1 479 . 2 1 1 A 38 38 GLU N N 41 118.500 121.620 -3.120 1
1 480 . 2 1 1 A 38 38 GLU H H 41 9.370 8.165 1.205 1
1 481 . 2 1 1 A 38 38 GLU CA C 41 58.400 59.637 -1.237 1
1 482 . 2 1 1 A 38 38 GLU HA H 41 4.330 4.035 0.295 1
1 483 . 2 1 1 A 38 38 GLU CB C 41 28.500 29.376 -0.876 1
1 489 . 2 1 1 A 38 38 GLU C C 41 177.600 178.044 -0.444 1
1 490 . 2 1 1 A 39 39 THR N N 42 107.400 112.809 -5.409 1
1 491 . 2 1 1 A 39 39 THR H H 42 7.810 7.190 0.620 1
1 492 . 2 1 1 A 39 39 THR CA C 42 61.600 63.018 -1.418 1
1 493 . 2 1 1 A 39 39 THR HA H 42 4.520 4.339 0.181 1
1 494 . 2 1 1 A 39 39 THR CB C 42 70.300 69.406 0.894 1
1 500 . 2 1 1 A 39 39 THR C C 42 174.000 174.255 -0.255 1
1 501 . 2 1 1 A 40 40 VAL N N 43 112.000 119.206 -7.206 1
1 502 . 2 1 1 A 40 40 VAL H H 43 7.230 7.165 0.065 1
1 503 . 2 1 1 A 40 40 VAL CA C 43 59.100 59.085 0.015 1
1 504 . 2 1 1 A 40 40 VAL HA H 43 5.420 4.965 0.455 1
1 505 . 2 1 1 A 40 40 VAL CB C 43 36.400 35.635 0.765 1
1 515 . 2 1 1 A 40 40 VAL C C 43 175.200 174.606 0.594 1
1 516 . 2 1 1 A 41 41 VAL N N 44 120.400 121.273 -0.873 1
1 517 . 2 1 1 A 41 41 VAL H H 44 9.080 8.295 0.785 1
1 518 . 2 1 1 A 41 41 VAL CA C 44 61.500 60.414 1.086 1
1 519 . 2 1 1 A 41 41 VAL HA H 44 4.230 4.850 -0.620 1
1 520 . 2 1 1 A 41 41 VAL CB C 44 34.600 34.957 -0.357 1
1 530 . 2 1 1 A 41 41 VAL C C 44 174.000 174.387 -0.387 1
1 531 . 2 1 1 A 42 42 VAL N N 45 123.400 127.610 -4.210 1
1 532 . 2 1 1 A 42 42 VAL H H 45 8.820 9.009 -0.189 1
1 533 . 2 1 1 A 42 42 VAL CA C 45 60.000 61.162 -1.162 1
1 534 . 2 1 1 A 42 42 VAL HA H 45 5.120 4.713 0.407 1
1 535 . 2 1 1 A 42 42 VAL CB C 45 34.300 32.880 1.420 1
1 545 . 2 1 1 A 42 42 VAL C C 45 174.700 174.724 -0.024 1
1 546 . 2 1 1 A 43 43 LYS N N 46 121.700 127.005 -5.305 1
1 547 . 2 1 1 A 43 43 LYS H H 46 8.920 9.117 -0.197 1
1 548 . 2 1 1 A 43 43 LYS CA C 46 53.800 54.818 -1.018 1
1 549 . 2 1 1 A 43 43 LYS HA H 46 5.180 5.229 -0.049 1
1 550 . 2 1 1 A 43 43 LYS CB C 46 36.900 34.828 2.072 1
1 562 . 2 1 1 A 43 43 LYS C C 46 175.600 175.400 0.200 1
1 563 . 2 1 1 A 44 44 LYS N N 47 122.300 123.573 -1.273 1
1 564 . 2 1 1 A 44 44 LYS H H 47 9.240 9.120 0.120 1
1 565 . 2 1 1 A 44 44 LYS CA C 47 54.400 54.883 -0.483 1
1 566 . 2 1 1 A 44 44 LYS HA H 47 5.190 4.751 0.439 1
1 567 . 2 1 1 A 44 44 LYS CB C 47 36.100 31.991 4.109 1
1 578 . 2 1 1 A 44 44 LYS C C 47 176.000 176.293 -0.293 1
1 579 . 2 1 1 A 45 45 ASN N N 48 129.600 124.639 4.961 1
1 580 . 2 1 1 A 45 45 ASN H H 48 9.980 9.774 0.206 1
1 581 . 2 1 1 A 45 45 ASN CA C 48 54.300 54.381 -0.081 1
1 582 . 2 1 1 A 45 45 ASN HA H 48 4.490 4.495 -0.005 1
1 583 . 2 1 1 A 45 45 ASN CB C 48 37.200 36.881 0.319 1
1 589 . 2 1 1 A 45 45 ASN C C 48 175.800 175.374 0.426 1
1 590 . 2 1 1 A 46 46 GLY N N 49 103.200 105.092 -1.892 1
1 591 . 2 1 1 A 46 46 GLY H H 49 9.340 8.336 1.004 1
1 592 . 2 1 1 A 46 46 GLY CA C 49 45.200 45.137 0.063 1
1 593 . 2 1 1 A 46 46 GLY HA2 H 49 4.300 4.014 0.286 1
1 594 . 2 1 1 A 46 46 GLY HA3 H 49 3.650 4.017 -0.367 1
1 595 . 2 1 1 A 46 46 GLY C C 49 173.600 174.013 -0.413 1
1 596 . 2 1 1 A 47 47 GLN N N 50 119.700 119.808 -0.108 1
1 597 . 2 1 1 A 47 47 GLN H H 50 7.690 7.759 -0.069 1
1 598 . 2 1 1 A 47 47 GLN CA C 50 53.500 55.516 -2.016 1
1 599 . 2 1 1 A 47 47 GLN HA H 50 4.770 4.373 0.397 1
1 600 . 2 1 1 A 47 47 GLN CB C 50 31.300 29.286 2.014 1
1 606 . 2 1 1 A 47 47 GLN C C 50 175.000 175.689 -0.689 1
1 607 . 2 1 1 A 48 48 ILE N N 51 125.800 124.838 0.962 1
1 608 . 2 1 1 A 48 48 ILE H H 51 8.790 8.477 0.313 1
1 609 . 2 1 1 A 48 48 ILE CA C 51 63.000 61.676 1.324 1
1 610 . 2 1 1 A 48 48 ILE HA H 51 4.380 4.716 -0.336 1
1 611 . 2 1 1 A 48 48 ILE CB C 51 37.400 37.359 0.041 1
1 624 . 2 1 1 A 48 48 ILE C C 51 176.500 175.949 0.551 1
1 625 . 2 1 1 A 49 49 VAL N N 52 121.900 120.659 1.241 1
1 626 . 2 1 1 A 49 49 VAL H H 52 8.290 8.795 -0.505 1
1 627 . 2 1 1 A 49 49 VAL CA C 52 58.900 59.177 -0.277 1
1 628 . 2 1 1 A 49 49 VAL HA H 52 4.860 5.092 -0.232 1
1 629 . 2 1 1 A 49 49 VAL CB C 52 35.700 36.036 -0.336 1
1 639 . 2 1 1 A 50 50 ILE N N 53 114.600 116.931 -2.331 1
1 640 . 2 1 1 A 50 50 ILE H H 53 8.020 8.227 -0.207 1
1 641 . 2 1 1 A 50 50 ILE CA C 53 60.500 58.805 1.695 1
1 642 . 2 1 1 A 50 50 ILE HA H 53 4.610 4.500 0.110 1
1 643 . 2 1 1 A 50 50 ILE CB C 53 39.500 39.227 0.273 1
1 656 . 2 1 1 A 50 50 ILE C C 53 177.000 176.527 0.473 1
1 657 . 2 1 1 A 51 51 ASP N N 54 118.300 121.279 -2.979 1
1 658 . 2 1 1 A 51 51 ASP H H 54 8.390 8.853 -0.463 1
1 659 . 2 1 1 A 51 51 ASP CA C 54 56.300 55.455 0.845 1
1 660 . 2 1 1 A 51 51 ASP HA H 54 4.010 4.466 -0.456 1
1 661 . 2 1 1 A 51 51 ASP CB C 54 40.200 39.962 0.238 1
1 664 . 2 1 1 A 51 51 ASP C C 54 176.300 176.768 -0.468 1
1 665 . 2 1 1 A 52 52 GLU N N 55 116.900 118.571 -1.671 1
1 666 . 2 1 1 A 52 52 GLU H H 55 7.100 7.855 -0.755 1
1 667 . 2 1 1 A 52 52 GLU CA C 55 56.000 56.264 -0.264 1
1 668 . 2 1 1 A 52 52 GLU HA H 55 4.200 4.364 -0.164 1
1 669 . 2 1 1 A 52 52 GLU CB C 55 30.000 29.884 0.116 1
1 675 . 2 1 1 A 52 52 GLU C C 55 175.700 176.633 -0.933 1
1 676 . 2 1 1 A 53 53 GLU N N 56 120.300 119.888 0.412 1
1 677 . 2 1 1 A 53 53 GLU H H 56 7.570 7.691 -0.121 1
1 678 . 2 1 1 A 53 53 GLU CA C 56 57.400 55.263 2.137 1
1 679 . 2 1 1 A 53 53 GLU HA H 56 4.090 4.530 -0.440 1
1 680 . 2 1 1 A 53 53 GLU CB C 56 30.300 30.436 -0.136 1
1 686 . 2 1 1 A 53 53 GLU C C 56 175.400 176.124 -0.724 1
1 687 . 2 1 1 A 54 54 GLU N N 57 123.400 122.326 1.074 1
1 688 . 2 1 1 A 54 54 GLU H H 57 8.430 8.502 -0.072 1
1 689 . 2 1 1 A 54 54 GLU CA C 57 56.500 56.124 0.376 1
1 690 . 2 1 1 A 54 54 GLU HA H 57 4.320 4.370 -0.050 1
1 691 . 2 1 1 A 54 54 GLU CB C 57 32.200 30.595 1.605 1
1 697 . 2 1 1 A 54 54 GLU C C 57 174.300 175.872 -1.572 1
1 698 . 2 1 1 A 55 55 ILE N N 58 122.000 124.341 -2.341 1
1 699 . 2 1 1 A 55 55 ILE H H 58 7.850 7.875 -0.025 1
1 700 . 2 1 1 A 55 55 ILE CA C 58 60.400 60.315 0.085 1
1 701 . 2 1 1 A 55 55 ILE HA H 58 3.770 4.441 -0.671 1
1 702 . 2 1 1 A 55 55 ILE CB C 58 40.100 37.972 2.128 1
1 715 . 2 1 1 A 55 55 ILE C C 58 172.900 175.443 -2.543 1
1 716 . 2 1 1 A 56 56 PHE N N 59 124.500 127.189 -2.689 1
1 717 . 2 1 1 A 56 56 PHE H H 59 8.970 8.891 0.079 1
1 718 . 2 1 1 A 56 56 PHE CA C 59 55.900 57.140 -1.240 1
1 719 . 2 1 1 A 56 56 PHE HA H 59 4.820 4.874 -0.054 1
1 720 . 2 1 1 A 56 56 PHE CB C 59 41.900 41.537 0.363 1
1 727 . 2 1 1 A 56 56 PHE C C 59 175.100 175.258 -0.158 1
1 728 . 2 1 1 A 57 57 ASP N N 60 117.300 123.375 -6.075 1
1 729 . 2 1 1 A 57 57 ASP H H 60 8.320 8.925 -0.605 1
1 730 . 2 1 1 A 57 57 ASP CA C 60 56.400 55.852 0.548 1
1 731 . 2 1 1 A 57 57 ASP HA H 60 4.630 4.508 0.122 1
1 732 . 2 1 1 A 57 57 ASP CB C 60 42.700 40.690 2.010 1
1 735 . 2 1 1 A 57 57 ASP C C 60 177.900 177.003 0.897 1
1 736 . 2 1 1 A 58 58 GLY N N 61 114.600 114.273 0.327 1
1 737 . 2 1 1 A 58 58 GLY H H 61 9.700 9.020 0.680 1
1 738 . 2 1 1 A 58 58 GLY CA C 61 45.100 45.136 -0.036 1
1 739 . 2 1 1 A 58 58 GLY HA2 H 61 4.420 3.990 0.430 1
1 740 . 2 1 1 A 58 58 GLY HA3 H 61 3.770 3.999 -0.229 1
1 741 . 2 1 1 A 58 58 GLY C C 61 174.900 174.337 0.563 1
1 742 . 2 1 1 A 59 59 ASP N N 62 122.200 121.755 0.445 1
1 743 . 2 1 1 A 59 59 ASP H H 62 8.350 8.021 0.329 1
1 744 . 2 1 1 A 59 59 ASP CA C 62 55.900 54.257 1.643 1
1 745 . 2 1 1 A 59 59 ASP HA H 62 4.940 4.743 0.197 1
1 746 . 2 1 1 A 59 59 ASP CB C 62 42.500 42.593 -0.093 1
1 749 . 2 1 1 A 59 59 ASP C C 62 176.000 175.860 0.140 1
1 750 . 2 1 1 A 60 60 ILE N N 63 119.100 125.856 -6.756 1
1 751 . 2 1 1 A 60 60 ILE H H 63 8.400 8.787 -0.387 1
1 752 . 2 1 1 A 60 60 ILE CA C 63 60.700 60.179 0.521 1
1 753 . 2 1 1 A 60 60 ILE HA H 63 4.690 4.661 0.029 1
1 754 . 2 1 1 A 60 60 ILE CB C 63 39.700 39.657 0.043 1
1 767 . 2 1 1 A 60 60 ILE C C 63 175.400 174.831 0.569 1
1 768 . 2 1 1 A 61 61 ILE N N 64 130.300 129.095 1.205 1
1 769 . 2 1 1 A 61 61 ILE H H 64 9.550 9.365 0.185 1
1 770 . 2 1 1 A 61 61 ILE CA C 64 58.300 60.609 -2.309 1
1 771 . 2 1 1 A 61 61 ILE HA H 64 5.230 4.610 0.620 1
1 772 . 2 1 1 A 61 61 ILE CB C 64 38.700 37.636 1.064 1
1 785 . 2 1 1 A 61 61 ILE C C 64 174.400 175.067 -0.667 1
1 786 . 2 1 1 A 62 62 GLU N N 65 126.800 127.494 -0.694 1
1 787 . 2 1 1 A 62 62 GLU H H 65 9.340 9.566 -0.226 1
1 788 . 2 1 1 A 62 62 GLU CA C 65 54.500 55.544 -1.044 1
1 789 . 2 1 1 A 62 62 GLU HA H 65 5.080 4.828 0.252 1
1 790 . 2 1 1 A 62 62 GLU CB C 65 33.300 30.536 2.764 1
1 796 . 2 1 1 A 62 62 GLU C C 65 174.300 175.477 -1.177 1
1 797 . 2 1 1 A 63 63 VAL N N 66 124.300 125.935 -1.635 1
1 798 . 2 1 1 A 63 63 VAL H H 66 8.710 8.778 -0.068 1
1 799 . 2 1 1 A 63 63 VAL CA C 66 61.900 62.479 -0.579 1
1 800 . 2 1 1 A 63 63 VAL HA H 66 4.420 4.591 -0.171 1
1 801 . 2 1 1 A 63 63 VAL CB C 66 32.600 31.058 1.542 1
1 811 . 2 1 1 A 63 63 VAL C C 66 175.300 175.266 0.034 1
1 812 . 2 1 1 A 64 64 ILE N N 67 131.200 128.773 2.427 1
1 813 . 2 1 1 A 64 64 ILE H H 67 9.180 9.162 0.018 1
1 814 . 2 1 1 A 64 64 ILE CA C 67 60.200 60.516 -0.316 1
1 815 . 2 1 1 A 64 64 ILE HA H 67 4.360 4.744 -0.384 1
1 816 . 2 1 1 A 64 64 ILE CB C 67 40.400 38.233 2.167 1
1 829 . 2 1 1 A 64 64 ILE C C 67 175.300 175.739 -0.439 1
1 830 . 2 1 1 A 65 65 ARG N N 68 126.900 126.323 0.577 1
1 831 . 2 1 1 A 65 65 ARG H H 68 9.020 8.597 0.423 1
1 832 . 2 1 1 A 65 65 ARG CA C 68 57.200 55.115 2.085 1
1 833 . 2 1 1 A 65 65 ARG HA H 68 4.480 4.866 -0.386 1
1 834 . 2 1 1 A 65 65 ARG CB C 68 30.500 32.454 -1.954 1
1 843 . 2 1 1 A 65 65 ARG C C 68 176.800 176.075 0.725 1
1 844 . 2 1 1 A 66 66 VAL N N 69 122.300 117.250 5.050 1
1 845 . 2 1 1 A 66 66 VAL H H 69 8.280 8.533 -0.253 1
1 846 . 2 1 1 A 66 66 VAL CA C 69 62.200 61.430 0.770 1
1 847 . 2 1 1 A 66 66 VAL HA H 69 4.100 4.420 -0.320 1
1 848 . 2 1 1 A 66 66 VAL CB C 69 32.800 32.965 -0.165 1
1 858 . 2 1 1 A 66 66 VAL C C 69 175.500 175.215 0.285 1
1 859 . 2 1 1 A 67 67 ILE N N 70 124.000 125.438 -1.438 1
1 860 . 2 1 1 A 67 67 ILE H H 70 7.930 8.296 -0.366 1
1 861 . 2 1 1 A 67 67 ILE CA C 70 60.300 60.842 -0.542 1
1 862 . 2 1 1 A 67 67 ILE HA H 70 4.210 4.547 -0.337 1
1 863 . 2 1 1 A 67 67 ILE CB C 70 38.900 38.519 0.381 1
1 876 . 2 1 1 A 67 67 ILE C C 70 175.500 174.550 0.950 1
1 877 . 2 1 1 A 68 68 TYR N N 71 126.200 131.566 -5.366 1
1 878 . 2 1 1 A 68 68 TYR H H 71 8.450 8.984 -0.534 1
1 879 . 2 1 1 A 68 68 TYR CA C 71 57.900 55.860 2.040 1
1 880 . 2 1 1 A 68 68 TYR HA H 71 4.590 5.091 -0.501 1
1 881 . 2 1 1 A 68 68 TYR CB C 71 39.000 39.551 -0.551 1
1 886 . 2 1 1 A 68 68 TYR C C 71 176.200 174.374 1.826 1
1 887 . 2 1 1 A 69 69 GLY N N 72 112.000 113.961 -1.961 1
1 888 . 2 1 1 A 69 69 GLY H H 72 8.370 8.613 -0.243 1
1 889 . 2 1 1 A 69 69 GLY CA C 72 45.300 45.254 0.046 1
1 890 . 2 1 1 A 69 69 GLY HA2 H 72 3.910 3.942 -0.032 1
1 891 . 2 1 1 A 69 69 GLY HA3 H 72 3.910 3.998 -0.088 1
1 892 . 2 1 1 A 69 69 GLY C C 72 173.500 173.281 0.219 1
1 10 . 3 1 1 A 2 2 VAL N N 5 122.400 125.386 -2.986 1
1 11 . 3 1 1 A 2 2 VAL H H 5 8.290 9.125 -0.835 1
1 12 . 3 1 1 A 2 2 VAL CA C 5 62.400 61.840 0.560 1
1 13 . 3 1 1 A 2 2 VAL HA H 5 4.120 4.596 -0.476 1
1 14 . 3 1 1 A 2 2 VAL CB C 5 32.600 32.156 0.444 1
1 24 . 3 1 1 A 2 2 VAL C C 5 175.700 175.282 0.418 1
1 25 . 3 1 1 A 3 3 ILE N N 6 125.000 128.495 -3.495 1
1 26 . 3 1 1 A 3 3 ILE H H 6 8.240 8.788 -0.548 1
1 27 . 3 1 1 A 3 3 ILE CA C 6 60.900 60.109 0.791 1
1 28 . 3 1 1 A 3 3 ILE HA H 6 4.210 4.695 -0.485 1
1 29 . 3 1 1 A 3 3 ILE CB C 6 38.700 39.207 -0.507 1
1 42 . 3 1 1 A 3 3 ILE C C 6 176.000 176.474 -0.474 1
1 43 . 3 1 1 A 4 4 GLY N N 7 112.900 115.518 -2.618 1
1 44 . 3 1 1 A 4 4 GLY H H 7 8.330 8.832 -0.502 1
1 45 . 3 1 1 A 4 4 GLY CA C 7 45.300 46.332 -1.032 1
1 46 . 3 1 1 A 4 4 GLY HA2 H 7 4.140 4.088 0.052 1
1 47 . 3 1 1 A 4 4 GLY HA3 H 7 4.020 4.094 -0.074 1
1 48 . 3 1 1 A 4 4 GLY C C 7 172.800 174.675 -1.875 1
1 49 . 3 1 1 A 5 5 MET N N 8 118.400 117.279 1.121 1
1 50 . 3 1 1 A 5 5 MET H H 8 8.540 7.959 0.581 1
1 51 . 3 1 1 A 5 5 MET CA C 8 54.800 54.833 -0.033 1
1 52 . 3 1 1 A 5 5 MET HA H 8 4.820 4.825 -0.005 1
1 53 . 3 1 1 A 5 5 MET CB C 8 35.500 33.828 1.672 1
1 63 . 3 1 1 A 5 5 MET C C 8 174.100 175.227 -1.127 1
1 64 . 3 1 1 A 6 6 LYS N N 9 122.000 124.821 -2.821 1
1 65 . 3 1 1 A 6 6 LYS H H 9 9.150 9.211 -0.061 1
1 66 . 3 1 1 A 6 6 LYS CA C 9 55.100 54.906 0.194 1
1 67 . 3 1 1 A 6 6 LYS HA H 9 5.430 5.026 0.404 1
1 68 . 3 1 1 A 6 6 LYS CB C 9 36.100 34.690 1.410 1
1 80 . 3 1 1 A 6 6 LYS C C 9 174.500 175.580 -1.080 1
1 81 . 3 1 1 A 7 7 PHE N N 10 119.300 122.438 -3.138 1
1 82 . 3 1 1 A 7 7 PHE H H 10 8.670 8.660 0.010 1
1 83 . 3 1 1 A 7 7 PHE CA C 10 55.700 55.903 -0.203 1
1 84 . 3 1 1 A 7 7 PHE HA H 10 5.190 5.410 -0.220 1
1 85 . 3 1 1 A 7 7 PHE CB C 10 40.100 42.426 -2.326 1
1 92 . 3 1 1 A 7 7 PHE C C 10 172.400 172.574 -0.174 1
1 93 . 3 1 1 A 8 8 THR N N 11 116.500 114.848 1.652 1
1 94 . 3 1 1 A 8 8 THR H H 11 8.440 8.718 -0.278 1
1 95 . 3 1 1 A 8 8 THR CA C 11 62.200 61.395 0.805 1
1 96 . 3 1 1 A 8 8 THR HA H 11 5.070 5.035 0.035 1
1 97 . 3 1 1 A 8 8 THR CB C 11 70.800 70.528 0.272 1
1 103 . 3 1 1 A 8 8 THR C C 11 173.300 173.172 0.128 1
1 104 . 3 1 1 A 9 9 VAL N N 12 126.200 128.131 -1.931 1
1 105 . 3 1 1 A 9 9 VAL H H 12 9.400 9.401 -0.001 1
1 106 . 3 1 1 A 9 9 VAL CA C 12 60.700 59.919 0.781 1
1 107 . 3 1 1 A 9 9 VAL HA H 12 5.090 5.191 -0.101 1
1 108 . 3 1 1 A 9 9 VAL CB C 12 34.100 34.254 -0.154 1
1 118 . 3 1 1 A 9 9 VAL C C 12 174.500 173.724 0.776 1
1 119 . 3 1 1 A 10 10 ILE N N 13 129.600 130.202 -0.602 1
1 120 . 3 1 1 A 10 10 ILE H H 13 9.560 9.575 -0.015 1
1 121 . 3 1 1 A 10 10 ILE CA C 13 61.400 59.749 1.651 1
1 122 . 3 1 1 A 10 10 ILE HA H 13 4.640 5.053 -0.413 1
1 123 . 3 1 1 A 10 10 ILE CB C 13 39.700 40.342 -0.642 1
1 136 . 3 1 1 A 10 10 ILE C C 13 175.200 174.018 1.182 1
1 137 . 3 1 1 A 11 11 THR N N 14 116.800 125.173 -8.373 1
1 138 . 3 1 1 A 11 11 THR H H 14 8.430 9.040 -0.610 1
1 139 . 3 1 1 A 11 11 THR CA C 14 59.200 60.473 -1.273 1
1 140 . 3 1 1 A 11 11 THR HA H 14 5.160 4.994 0.166 1
1 141 . 3 1 1 A 11 11 THR CB C 14 71.900 71.577 0.323 1
1 147 . 3 1 1 A 11 11 THR C C 14 175.800 175.400 0.400 1
1 148 . 3 1 1 A 12 12 ASP N N 15 120.000 124.213 -4.213 1
1 149 . 3 1 1 A 12 12 ASP H H 15 9.010 9.154 -0.144 1
1 150 . 3 1 1 A 12 12 ASP CA C 15 56.900 57.857 -0.957 1
1 151 . 3 1 1 A 12 12 ASP HA H 15 4.440 4.228 0.212 1
1 152 . 3 1 1 A 12 12 ASP CB C 15 40.900 40.828 0.072 1
1 155 . 3 1 1 A 12 12 ASP C C 15 176.600 177.255 -0.655 1
1 156 . 3 1 1 A 13 13 ASP N N 16 115.300 115.071 0.229 1
1 157 . 3 1 1 A 13 13 ASP H H 16 8.090 8.146 -0.056 1
1 158 . 3 1 1 A 13 13 ASP CA C 16 53.400 53.522 -0.122 1
1 159 . 3 1 1 A 13 13 ASP HA H 16 4.730 4.550 0.180 1
1 160 . 3 1 1 A 13 13 ASP CB C 16 41.800 40.264 1.536 1
1 163 . 3 1 1 A 13 13 ASP C C 16 175.700 175.736 -0.036 1
1 164 . 3 1 1 A 14 14 GLY N N 17 108.000 106.575 1.425 1
1 165 . 3 1 1 A 14 14 GLY H H 17 7.610 7.263 0.347 1
1 166 . 3 1 1 A 14 14 GLY CA C 17 44.900 44.994 -0.094 1
1 167 . 3 1 1 A 14 14 GLY HA2 H 17 4.450 4.046 0.404 1
1 168 . 3 1 1 A 14 14 GLY HA3 H 17 3.860 4.048 -0.188 1
1 169 . 3 1 1 A 14 14 GLY C C 17 171.800 171.433 0.367 1
1 170 . 3 1 1 A 15 15 LYS N N 18 120.600 120.951 -0.351 1
1 171 . 3 1 1 A 15 15 LYS H H 18 8.430 8.408 0.022 1
1 172 . 3 1 1 A 15 15 LYS CA C 18 55.400 54.893 0.507 1
1 173 . 3 1 1 A 15 15 LYS HA H 18 5.080 5.076 0.004 1
1 174 . 3 1 1 A 15 15 LYS CB C 18 34.600 35.071 -0.471 1
1 186 . 3 1 1 A 15 15 LYS C C 18 175.600 174.637 0.963 1
1 187 . 3 1 1 A 16 16 LYS N N 19 125.700 128.243 -2.543 1
1 188 . 3 1 1 A 16 16 LYS H H 19 9.160 9.461 -0.301 1
1 189 . 3 1 1 A 16 16 LYS CA C 19 55.000 54.657 0.343 1
1 190 . 3 1 1 A 16 16 LYS HA H 19 4.620 5.056 -0.436 1
1 191 . 3 1 1 A 16 16 LYS CB C 19 36.100 35.218 0.882 1
1 201 . 3 1 1 A 16 16 LYS C C 19 174.000 174.500 -0.500 1
1 202 . 3 1 1 A 17 17 ILE N N 20 123.800 128.125 -4.325 1
1 203 . 3 1 1 A 17 17 ILE H H 20 8.420 8.601 -0.181 1
1 204 . 3 1 1 A 17 17 ILE CA C 20 60.400 60.500 -0.100 1
1 205 . 3 1 1 A 17 17 ILE HA H 20 4.620 4.626 -0.006 1
1 206 . 3 1 1 A 17 17 ILE CB C 20 37.900 39.833 -1.933 1
1 219 . 3 1 1 A 17 17 ILE C C 20 175.700 175.114 0.586 1
1 220 . 3 1 1 A 18 18 LEU N N 21 130.500 124.714 5.786 1
1 221 . 3 1 1 A 18 18 LEU H H 21 8.600 8.783 -0.183 1
1 222 . 3 1 1 A 18 18 LEU CA C 21 53.500 53.107 0.393 1
1 223 . 3 1 1 A 18 18 LEU HA H 21 4.490 5.002 -0.512 1
1 224 . 3 1 1 A 18 18 LEU CB C 21 44.500 45.461 -0.961 1
1 236 . 3 1 1 A 18 18 LEU C C 21 174.000 174.233 -0.233 1
1 237 . 3 1 1 A 19 19 GLU N N 22 116.200 119.589 -3.389 1
1 238 . 3 1 1 A 19 19 GLU H H 22 7.940 8.706 -0.766 1
1 239 . 3 1 1 A 19 19 GLU CA C 22 53.800 54.396 -0.596 1
1 240 . 3 1 1 A 19 19 GLU HA H 22 5.280 5.268 0.012 1
1 241 . 3 1 1 A 19 19 GLU CB C 22 33.400 33.517 -0.117 1
1 247 . 3 1 1 A 19 19 GLU C C 22 176.600 174.258 2.342 1
1 248 . 3 1 1 A 20 20 SER N N 23 114.700 121.661 -6.961 1
1 249 . 3 1 1 A 20 20 SER H H 23 8.630 9.150 -0.520 1
1 250 . 3 1 1 A 20 20 SER CA C 23 57.400 56.772 0.628 1
1 251 . 3 1 1 A 20 20 SER HA H 23 4.780 4.758 0.022 1
1 252 . 3 1 1 A 20 20 SER CB C 23 65.900 64.360 1.540 1
1 255 . 3 1 1 A 20 20 SER C C 23 174.100 176.426 -2.326 1
1 256 . 3 1 1 A 21 21 GLY N N 24 109.400 113.224 -3.824 1
1 257 . 3 1 1 A 21 21 GLY H H 24 8.340 8.674 -0.334 1
1 258 . 3 1 1 A 21 21 GLY CA C 24 45.100 47.282 -2.182 1
1 259 . 3 1 1 A 21 21 GLY HA2 H 24 4.470 3.860 0.610 1
1 260 . 3 1 1 A 21 21 GLY HA3 H 24 3.790 3.864 -0.074 1
1 261 . 3 1 1 A 21 21 GLY C C 24 172.600 173.990 -1.390 1
1 262 . 3 1 1 A 22 22 ALA N N 25 122.500 121.312 1.188 1
1 263 . 3 1 1 A 22 22 ALA H H 25 7.790 7.738 0.052 1
1 264 . 3 1 1 A 22 22 ALA CA C 25 49.900 49.910 -0.010 1
1 265 . 3 1 1 A 22 22 ALA HA H 25 4.780 4.857 -0.077 1
1 269 . 3 1 1 A 22 22 ALA CB C 25 20.600 21.444 -0.844 1
1 271 . 3 1 1 A 23 23 PRO CA C 26 63.700 63.036 0.664 1
1 272 . 3 1 1 A 23 23 PRO HA H 26 4.400 4.822 -0.422 1
1 273 . 3 1 1 A 23 23 PRO CB C 26 31.900 31.915 -0.015 1
1 281 . 3 1 1 A 23 23 PRO C C 26 176.500 175.958 0.542 1
1 282 . 3 1 1 A 24 24 ARG N N 27 120.200 122.658 -2.458 1
1 283 . 3 1 1 A 24 24 ARG H H 27 7.810 7.883 -0.073 1
1 284 . 3 1 1 A 24 24 ARG CA C 27 53.800 54.184 -0.384 1
1 285 . 3 1 1 A 24 24 ARG HA H 27 4.680 4.737 -0.057 1
1 286 . 3 1 1 A 24 24 ARG CB C 27 35.600 34.083 1.517 1
1 295 . 3 1 1 A 24 24 ARG C C 27 174.300 174.131 0.169 1
1 296 . 3 1 1 A 25 25 ARG N N 28 119.300 121.201 -1.901 1
1 297 . 3 1 1 A 25 25 ARG H H 28 8.900 8.640 0.260 1
1 298 . 3 1 1 A 25 25 ARG CA C 28 54.200 55.148 -0.948 1
1 299 . 3 1 1 A 25 25 ARG HA H 28 4.870 4.466 0.404 1
1 300 . 3 1 1 A 25 25 ARG CB C 28 32.200 32.094 0.106 1
1 309 . 3 1 1 A 25 25 ARG C C 28 178.300 177.306 0.994 1
1 310 . 3 1 1 A 26 26 ILE N N 29 123.500 125.041 -1.541 1
1 311 . 3 1 1 A 26 26 ILE H H 29 8.630 9.298 -0.668 1
1 312 . 3 1 1 A 26 26 ILE CA C 29 65.200 65.368 -0.168 1
1 313 . 3 1 1 A 26 26 ILE HA H 29 3.410 3.635 -0.225 1
1 314 . 3 1 1 A 26 26 ILE CB C 29 36.500 37.627 -1.127 1
1 327 . 3 1 1 A 26 26 ILE C C 29 178.600 177.932 0.668 1
1 328 . 3 1 1 A 27 27 LYS N N 30 115.100 120.767 -5.667 1
1 329 . 3 1 1 A 27 27 LYS H H 30 8.900 8.065 0.835 1
1 330 . 3 1 1 A 27 27 LYS CA C 30 59.300 59.952 -0.652 1
1 331 . 3 1 1 A 27 27 LYS HA H 30 3.900 3.831 0.069 1
1 332 . 3 1 1 A 27 27 LYS CB C 30 31.700 32.172 -0.472 1
1 344 . 3 1 1 A 27 27 LYS C C 30 178.000 178.345 -0.345 1
1 345 . 3 1 1 A 28 28 ASP N N 31 119.700 119.538 0.162 1
1 346 . 3 1 1 A 28 28 ASP H H 31 7.180 7.923 -0.743 1
1 347 . 3 1 1 A 28 28 ASP CA C 31 56.900 57.647 -0.747 1
1 348 . 3 1 1 A 28 28 ASP HA H 31 4.480 4.340 0.140 1
1 349 . 3 1 1 A 28 28 ASP CB C 31 41.300 41.459 -0.159 1
1 352 . 3 1 1 A 28 28 ASP C C 31 178.600 178.687 -0.087 1
1 353 . 3 1 1 A 29 29 VAL N N 32 122.100 118.676 3.424 1
1 354 . 3 1 1 A 29 29 VAL H H 32 7.410 7.768 -0.358 1
1 355 . 3 1 1 A 29 29 VAL CA C 32 65.900 66.689 -0.789 1
1 356 . 3 1 1 A 29 29 VAL HA H 32 3.730 3.577 0.153 1
1 357 . 3 1 1 A 29 29 VAL CB C 32 32.000 31.263 0.737 1
1 367 . 3 1 1 A 29 29 VAL C C 32 177.600 178.117 -0.517 1
1 368 . 3 1 1 A 30 30 LEU N N 33 118.000 121.049 -3.049 1
1 369 . 3 1 1 A 30 30 LEU H H 33 8.380 8.757 -0.377 1
1 370 . 3 1 1 A 30 30 LEU CA C 33 58.500 57.898 0.602 1
1 371 . 3 1 1 A 30 30 LEU HA H 33 3.910 3.960 -0.050 1
1 372 . 3 1 1 A 30 30 LEU CB C 33 39.200 41.932 -2.732 1
1 385 . 3 1 1 A 30 30 LEU C C 33 179.200 179.014 0.186 1
1 386 . 3 1 1 A 31 31 GLY N N 34 104.500 105.816 -1.316 1
1 387 . 3 1 1 A 31 31 GLY H H 34 7.730 8.541 -0.811 1
1 388 . 3 1 1 A 31 31 GLY CA C 34 47.100 47.247 -0.147 1
1 389 . 3 1 1 A 31 31 GLY HA2 H 34 3.940 3.751 0.189 1
1 390 . 3 1 1 A 31 31 GLY HA3 H 34 3.940 3.753 0.187 1
1 391 . 3 1 1 A 31 31 GLY C C 34 177.500 175.859 1.641 1
1 392 . 3 1 1 A 32 32 GLU N N 35 124.300 121.505 2.795 1
1 393 . 3 1 1 A 32 32 GLU H H 35 7.750 8.381 -0.631 1
1 394 . 3 1 1 A 32 32 GLU CA C 35 59.100 59.292 -0.192 1
1 395 . 3 1 1 A 32 32 GLU HA H 35 4.130 4.019 0.111 1
1 396 . 3 1 1 A 32 32 GLU CB C 35 29.800 29.545 0.255 1
1 402 . 3 1 1 A 32 32 GLU C C 35 178.300 178.324 -0.024 1
1 403 . 3 1 1 A 33 33 LEU N N 36 117.300 118.187 -0.887 1
1 404 . 3 1 1 A 33 33 LEU H H 36 7.750 7.951 -0.201 1
1 405 . 3 1 1 A 33 33 LEU CA C 36 55.000 55.273 -0.273 1
1 406 . 3 1 1 A 33 33 LEU HA H 36 4.270 4.268 0.002 1
1 407 . 3 1 1 A 33 33 LEU CB C 36 42.100 41.712 0.388 1
1 420 . 3 1 1 A 33 33 LEU C C 36 175.200 176.028 -0.828 1
1 421 . 3 1 1 A 34 34 GLU N N 37 115.500 118.935 -3.435 1
1 422 . 3 1 1 A 34 34 GLU H H 37 7.780 7.863 -0.083 1
1 423 . 3 1 1 A 34 34 GLU CA C 37 57.200 57.325 -0.125 1
1 424 . 3 1 1 A 34 34 GLU HA H 37 3.830 4.001 -0.171 1
1 425 . 3 1 1 A 34 34 GLU CB C 37 26.700 28.173 -1.473 1
1 431 . 3 1 1 A 34 34 GLU C C 37 175.300 175.092 0.208 1
1 432 . 3 1 1 A 35 35 ILE N N 38 121.300 119.686 1.614 1
1 433 . 3 1 1 A 35 35 ILE H H 38 8.010 7.865 0.145 1
1 434 . 3 1 1 A 35 35 ILE CA C 38 58.300 57.416 0.884 1
1 435 . 3 1 1 A 35 35 ILE HA H 38 4.410 4.565 -0.155 1
1 436 . 3 1 1 A 35 35 ILE CB C 38 40.300 40.307 -0.007 1
1 450 . 3 1 1 A 36 36 PRO CA C 39 62.400 62.293 0.107 1
1 451 . 3 1 1 A 36 36 PRO HA H 39 4.470 4.680 -0.210 1
1 452 . 3 1 1 A 36 36 PRO CB C 39 31.600 30.188 1.412 1
1 460 . 3 1 1 A 36 36 PRO C C 39 179.200 177.329 1.871 1
1 461 . 3 1 1 A 37 37 ILE N N 40 127.500 126.039 1.461 1
1 462 . 3 1 1 A 37 37 ILE H H 40 8.350 8.309 0.041 1
1 463 . 3 1 1 A 37 37 ILE CA C 40 63.700 63.130 0.570 1
1 464 . 3 1 1 A 37 37 ILE HA H 40 3.750 4.004 -0.254 1
1 465 . 3 1 1 A 37 37 ILE CB C 40 38.600 37.978 0.622 1
1 478 . 3 1 1 A 37 37 ILE C C 40 176.100 177.226 -1.126 1
1 479 . 3 1 1 A 38 38 GLU N N 41 118.500 121.736 -3.236 1
1 480 . 3 1 1 A 38 38 GLU H H 41 9.370 8.184 1.186 1
1 481 . 3 1 1 A 38 38 GLU CA C 41 58.400 59.401 -1.001 1
1 482 . 3 1 1 A 38 38 GLU HA H 41 4.330 4.050 0.280 1
1 483 . 3 1 1 A 38 38 GLU CB C 41 28.500 29.691 -1.191 1
1 489 . 3 1 1 A 38 38 GLU C C 41 177.600 178.076 -0.476 1
1 490 . 3 1 1 A 39 39 THR N N 42 107.400 112.772 -5.372 1
1 491 . 3 1 1 A 39 39 THR H H 42 7.810 7.698 0.112 1
1 492 . 3 1 1 A 39 39 THR CA C 42 61.600 62.678 -1.078 1
1 493 . 3 1 1 A 39 39 THR HA H 42 4.520 4.379 0.141 1
1 494 . 3 1 1 A 39 39 THR CB C 42 70.300 69.797 0.503 1
1 500 . 3 1 1 A 39 39 THR C C 42 174.000 174.141 -0.141 1
1 501 . 3 1 1 A 40 40 VAL N N 43 112.000 118.793 -6.793 1
1 502 . 3 1 1 A 40 40 VAL H H 43 7.230 7.456 -0.226 1
1 503 . 3 1 1 A 40 40 VAL CA C 43 59.100 59.074 0.026 1
1 504 . 3 1 1 A 40 40 VAL HA H 43 5.420 4.925 0.495 1
1 505 . 3 1 1 A 40 40 VAL CB C 43 36.400 36.029 0.371 1
1 515 . 3 1 1 A 40 40 VAL C C 43 175.200 174.389 0.811 1
1 516 . 3 1 1 A 41 41 VAL N N 44 120.400 121.320 -0.920 1
1 517 . 3 1 1 A 41 41 VAL H H 44 9.080 8.747 0.333 1
1 518 . 3 1 1 A 41 41 VAL CA C 44 61.500 60.652 0.848 1
1 519 . 3 1 1 A 41 41 VAL HA H 44 4.230 4.748 -0.518 1
1 520 . 3 1 1 A 41 41 VAL CB C 44 34.600 33.806 0.794 1
1 530 . 3 1 1 A 41 41 VAL C C 44 174.000 174.651 -0.651 1
1 531 . 3 1 1 A 42 42 VAL N N 45 123.400 129.283 -5.883 1
1 532 . 3 1 1 A 42 42 VAL H H 45 8.820 9.008 -0.188 1
1 533 . 3 1 1 A 42 42 VAL CA C 45 60.000 61.166 -1.166 1
1 534 . 3 1 1 A 42 42 VAL HA H 45 5.120 4.680 0.440 1
1 535 . 3 1 1 A 42 42 VAL CB C 45 34.300 32.994 1.306 1
1 545 . 3 1 1 A 42 42 VAL C C 45 174.700 175.085 -0.385 1
1 546 . 3 1 1 A 43 43 LYS N N 46 121.700 126.308 -4.608 1
1 547 . 3 1 1 A 43 43 LYS H H 46 8.920 9.293 -0.373 1
1 548 . 3 1 1 A 43 43 LYS CA C 46 53.800 54.114 -0.314 1
1 549 . 3 1 1 A 43 43 LYS HA H 46 5.180 5.436 -0.256 1
1 550 . 3 1 1 A 43 43 LYS CB C 46 36.900 35.732 1.168 1
1 562 . 3 1 1 A 43 43 LYS C C 46 175.600 174.771 0.829 1
1 563 . 3 1 1 A 44 44 LYS N N 47 122.300 123.305 -1.005 1
1 564 . 3 1 1 A 44 44 LYS H H 47 9.240 9.057 0.183 1
1 565 . 3 1 1 A 44 44 LYS CA C 47 54.400 55.007 -0.607 1
1 566 . 3 1 1 A 44 44 LYS HA H 47 5.190 4.678 0.512 1
1 567 . 3 1 1 A 44 44 LYS CB C 47 36.100 33.964 2.136 1
1 578 . 3 1 1 A 44 44 LYS C C 47 176.000 176.250 -0.250 1
1 579 . 3 1 1 A 45 45 ASN N N 48 129.600 125.735 3.865 1
1 580 . 3 1 1 A 45 45 ASN H H 48 9.980 9.393 0.587 1
1 581 . 3 1 1 A 45 45 ASN CA C 48 54.300 55.372 -1.072 1
1 582 . 3 1 1 A 45 45 ASN HA H 48 4.490 4.597 -0.107 1
1 583 . 3 1 1 A 45 45 ASN CB C 48 37.200 38.262 -1.062 1
1 589 . 3 1 1 A 45 45 ASN C C 48 175.800 175.091 0.709 1
1 590 . 3 1 1 A 46 46 GLY N N 49 103.200 106.840 -3.640 1
1 591 . 3 1 1 A 46 46 GLY H H 49 9.340 8.607 0.733 1
1 592 . 3 1 1 A 46 46 GLY CA C 49 45.200 45.458 -0.258 1
1 593 . 3 1 1 A 46 46 GLY HA2 H 49 4.300 4.104 0.196 1
1 594 . 3 1 1 A 46 46 GLY HA3 H 49 3.650 4.105 -0.455 1
1 595 . 3 1 1 A 46 46 GLY C C 49 173.600 173.408 0.192 1
1 596 . 3 1 1 A 47 47 GLN N N 50 119.700 118.632 1.068 1
1 597 . 3 1 1 A 47 47 GLN H H 50 7.690 7.845 -0.155 1
1 598 . 3 1 1 A 47 47 GLN CA C 50 53.500 54.262 -0.762 1
1 599 . 3 1 1 A 47 47 GLN HA H 50 4.770 4.787 -0.017 1
1 600 . 3 1 1 A 47 47 GLN CB C 50 31.300 31.586 -0.286 1
1 606 . 3 1 1 A 47 47 GLN C C 50 175.000 175.388 -0.388 1
1 607 . 3 1 1 A 48 48 ILE N N 51 125.800 123.104 2.696 1
1 608 . 3 1 1 A 48 48 ILE H H 51 8.790 8.413 0.377 1
1 609 . 3 1 1 A 48 48 ILE CA C 51 63.000 60.797 2.203 1
1 610 . 3 1 1 A 48 48 ILE HA H 51 4.380 4.451 -0.071 1
1 611 . 3 1 1 A 48 48 ILE CB C 51 37.400 37.239 0.161 1
1 624 . 3 1 1 A 48 48 ILE C C 51 176.500 175.807 0.693 1
1 625 . 3 1 1 A 49 49 VAL N N 52 121.900 120.913 0.987 1
1 626 . 3 1 1 A 49 49 VAL H H 52 8.290 8.734 -0.444 1
1 627 . 3 1 1 A 49 49 VAL CA C 52 58.900 59.270 -0.370 1
1 628 . 3 1 1 A 49 49 VAL HA H 52 4.860 5.047 -0.187 1
1 629 . 3 1 1 A 49 49 VAL CB C 52 35.700 35.353 0.347 1
1 639 . 3 1 1 A 50 50 ILE N N 53 114.600 119.284 -4.684 1
1 640 . 3 1 1 A 50 50 ILE H H 53 8.020 8.333 -0.313 1
1 641 . 3 1 1 A 50 50 ILE CA C 53 60.500 58.847 1.653 1
1 642 . 3 1 1 A 50 50 ILE HA H 53 4.610 4.460 0.150 1
1 643 . 3 1 1 A 50 50 ILE CB C 53 39.500 39.426 0.074 1
1 656 . 3 1 1 A 50 50 ILE C C 53 177.000 176.703 0.297 1
1 657 . 3 1 1 A 51 51 ASP N N 54 118.300 121.307 -3.007 1
1 658 . 3 1 1 A 51 51 ASP H H 54 8.390 8.821 -0.431 1
1 659 . 3 1 1 A 51 51 ASP CA C 54 56.300 54.619 1.681 1
1 660 . 3 1 1 A 51 51 ASP HA H 54 4.010 4.509 -0.499 1
1 661 . 3 1 1 A 51 51 ASP CB C 54 40.200 39.358 0.842 1
1 664 . 3 1 1 A 51 51 ASP C C 54 176.300 176.664 -0.364 1
1 665 . 3 1 1 A 52 52 GLU N N 55 116.900 118.433 -1.533 1
1 666 . 3 1 1 A 52 52 GLU H H 55 7.100 8.386 -1.286 1
1 667 . 3 1 1 A 52 52 GLU CA C 55 56.000 56.998 -0.998 1
1 668 . 3 1 1 A 52 52 GLU HA H 55 4.200 4.518 -0.318 1
1 669 . 3 1 1 A 52 52 GLU CB C 55 30.000 29.328 0.672 1
1 675 . 3 1 1 A 52 52 GLU C C 55 175.700 176.927 -1.227 1
1 676 . 3 1 1 A 53 53 GLU N N 56 120.300 118.746 1.554 1
1 677 . 3 1 1 A 53 53 GLU H H 56 7.570 7.390 0.180 1
1 678 . 3 1 1 A 53 53 GLU CA C 56 57.400 55.591 1.809 1
1 679 . 3 1 1 A 53 53 GLU HA H 56 4.090 4.501 -0.411 1
1 680 . 3 1 1 A 53 53 GLU CB C 56 30.300 30.602 -0.302 1
1 686 . 3 1 1 A 53 53 GLU C C 56 175.400 175.901 -0.501 1
1 687 . 3 1 1 A 54 54 GLU N N 57 123.400 119.665 3.735 1
1 688 . 3 1 1 A 54 54 GLU H H 57 8.430 8.590 -0.160 1
1 689 . 3 1 1 A 54 54 GLU CA C 57 56.500 54.643 1.857 1
1 690 . 3 1 1 A 54 54 GLU HA H 57 4.320 4.824 -0.504 1
1 691 . 3 1 1 A 54 54 GLU CB C 57 32.200 32.137 0.063 1
1 697 . 3 1 1 A 54 54 GLU C C 57 174.300 174.709 -0.409 1
1 698 . 3 1 1 A 55 55 ILE N N 58 122.000 121.568 0.432 1
1 699 . 3 1 1 A 55 55 ILE H H 58 7.850 8.030 -0.180 1
1 700 . 3 1 1 A 55 55 ILE CA C 58 60.400 59.885 0.515 1
1 701 . 3 1 1 A 55 55 ILE HA H 58 3.770 4.584 -0.814 1
1 702 . 3 1 1 A 55 55 ILE CB C 58 40.100 39.360 0.740 1
1 715 . 3 1 1 A 55 55 ILE C C 58 172.900 174.535 -1.635 1
1 716 . 3 1 1 A 56 56 PHE N N 59 124.500 125.731 -1.231 1
1 717 . 3 1 1 A 56 56 PHE H H 59 8.970 8.854 0.116 1
1 718 . 3 1 1 A 56 56 PHE CA C 59 55.900 56.598 -0.698 1
1 719 . 3 1 1 A 56 56 PHE HA H 59 4.820 4.986 -0.166 1
1 720 . 3 1 1 A 56 56 PHE CB C 59 41.900 43.365 -1.465 1
1 727 . 3 1 1 A 56 56 PHE C C 59 175.100 174.591 0.509 1
1 728 . 3 1 1 A 57 57 ASP N N 60 117.300 122.410 -5.110 1
1 729 . 3 1 1 A 57 57 ASP H H 60 8.320 8.791 -0.471 1
1 730 . 3 1 1 A 57 57 ASP CA C 60 56.400 55.980 0.420 1
1 731 . 3 1 1 A 57 57 ASP HA H 60 4.630 4.421 0.209 1
1 732 . 3 1 1 A 57 57 ASP CB C 60 42.700 40.484 2.216 1
1 735 . 3 1 1 A 57 57 ASP C C 60 177.900 177.425 0.475 1
1 736 . 3 1 1 A 58 58 GLY N N 61 114.600 113.655 0.945 1
1 737 . 3 1 1 A 58 58 GLY H H 61 9.700 9.188 0.512 1
1 738 . 3 1 1 A 58 58 GLY CA C 61 45.100 46.503 -1.403 1
1 739 . 3 1 1 A 58 58 GLY HA2 H 61 4.420 3.907 0.513 1
1 740 . 3 1 1 A 58 58 GLY HA3 H 61 3.770 3.924 -0.154 1
1 741 . 3 1 1 A 58 58 GLY C C 61 174.900 173.532 1.368 1
1 742 . 3 1 1 A 59 59 ASP N N 62 122.200 120.381 1.819 1
1 743 . 3 1 1 A 59 59 ASP H H 62 8.350 8.083 0.267 1
1 744 . 3 1 1 A 59 59 ASP CA C 62 55.900 53.023 2.877 1
1 745 . 3 1 1 A 59 59 ASP HA H 62 4.940 5.042 -0.102 1
1 746 . 3 1 1 A 59 59 ASP CB C 62 42.500 43.615 -1.115 1
1 749 . 3 1 1 A 59 59 ASP C C 62 176.000 174.990 1.010 1
1 750 . 3 1 1 A 60 60 ILE N N 63 119.100 121.403 -2.303 1
1 751 . 3 1 1 A 60 60 ILE H H 63 8.400 8.692 -0.292 1
1 752 . 3 1 1 A 60 60 ILE CA C 63 60.700 60.438 0.262 1
1 753 . 3 1 1 A 60 60 ILE HA H 63 4.690 5.261 -0.571 1
1 754 . 3 1 1 A 60 60 ILE CB C 63 39.700 41.256 -1.556 1
1 767 . 3 1 1 A 60 60 ILE C C 63 175.400 174.547 0.853 1
1 768 . 3 1 1 A 61 61 ILE N N 64 130.300 126.984 3.316 1
1 769 . 3 1 1 A 61 61 ILE H H 64 9.550 9.178 0.372 1
1 770 . 3 1 1 A 61 61 ILE CA C 64 58.300 60.333 -2.033 1
1 771 . 3 1 1 A 61 61 ILE HA H 64 5.230 4.828 0.402 1
1 772 . 3 1 1 A 61 61 ILE CB C 64 38.700 40.042 -1.342 1
1 785 . 3 1 1 A 61 61 ILE C C 64 174.400 174.080 0.320 1
1 786 . 3 1 1 A 62 62 GLU N N 65 126.800 128.635 -1.835 1
1 787 . 3 1 1 A 62 62 GLU H H 65 9.340 9.109 0.231 1
1 788 . 3 1 1 A 62 62 GLU CA C 65 54.500 54.785 -0.285 1
1 789 . 3 1 1 A 62 62 GLU HA H 65 5.080 5.160 -0.080 1
1 790 . 3 1 1 A 62 62 GLU CB C 65 33.300 31.524 1.776 1
1 796 . 3 1 1 A 62 62 GLU C C 65 174.300 175.281 -0.981 1
1 797 . 3 1 1 A 63 63 VAL N N 66 124.300 127.210 -2.910 1
1 798 . 3 1 1 A 63 63 VAL H H 66 8.710 9.572 -0.862 1
1 799 . 3 1 1 A 63 63 VAL CA C 66 61.900 61.665 0.235 1
1 800 . 3 1 1 A 63 63 VAL HA H 66 4.420 4.696 -0.276 1
1 801 . 3 1 1 A 63 63 VAL CB C 66 32.600 32.557 0.043 1
1 811 . 3 1 1 A 63 63 VAL C C 66 175.300 175.007 0.293 1
1 812 . 3 1 1 A 64 64 ILE N N 67 131.200 122.781 8.419 1
1 813 . 3 1 1 A 64 64 ILE H H 67 9.180 8.747 0.433 1
1 814 . 3 1 1 A 64 64 ILE CA C 67 60.200 59.333 0.867 1
1 815 . 3 1 1 A 64 64 ILE HA H 67 4.360 4.996 -0.636 1
1 816 . 3 1 1 A 64 64 ILE CB C 67 40.400 39.993 0.407 1
1 829 . 3 1 1 A 64 64 ILE C C 67 175.300 175.644 -0.344 1
1 830 . 3 1 1 A 65 65 ARG N N 68 126.900 124.874 2.026 1
1 831 . 3 1 1 A 65 65 ARG H H 68 9.020 8.549 0.471 1
1 832 . 3 1 1 A 65 65 ARG CA C 68 57.200 55.565 1.635 1
1 833 . 3 1 1 A 65 65 ARG HA H 68 4.480 4.728 -0.248 1
1 834 . 3 1 1 A 65 65 ARG CB C 68 30.500 31.645 -1.145 1
1 843 . 3 1 1 A 65 65 ARG C C 68 176.800 175.077 1.723 1
1 844 . 3 1 1 A 66 66 VAL N N 69 122.300 122.970 -0.670 1
1 845 . 3 1 1 A 66 66 VAL H H 69 8.280 8.464 -0.184 1
1 846 . 3 1 1 A 66 66 VAL CA C 69 62.200 61.184 1.016 1
1 847 . 3 1 1 A 66 66 VAL HA H 69 4.100 4.596 -0.496 1
1 848 . 3 1 1 A 66 66 VAL CB C 69 32.800 33.302 -0.502 1
1 858 . 3 1 1 A 66 66 VAL C C 69 175.500 175.416 0.084 1
1 859 . 3 1 1 A 67 67 ILE N N 70 124.000 129.373 -5.373 1
1 860 . 3 1 1 A 67 67 ILE H H 70 7.930 8.533 -0.603 1
1 861 . 3 1 1 A 67 67 ILE CA C 70 60.300 60.731 -0.431 1
1 862 . 3 1 1 A 67 67 ILE HA H 70 4.210 4.609 -0.399 1
1 863 . 3 1 1 A 67 67 ILE CB C 70 38.900 38.915 -0.015 1
1 876 . 3 1 1 A 67 67 ILE C C 70 175.500 174.379 1.121 1
1 877 . 3 1 1 A 68 68 TYR N N 71 126.200 130.974 -4.774 1
1 878 . 3 1 1 A 68 68 TYR H H 71 8.450 8.835 -0.385 1
1 879 . 3 1 1 A 68 68 TYR CA C 71 57.900 55.226 2.674 1
1 880 . 3 1 1 A 68 68 TYR HA H 71 4.590 5.341 -0.751 1
1 881 . 3 1 1 A 68 68 TYR CB C 71 39.000 41.410 -2.410 1
1 886 . 3 1 1 A 68 68 TYR C C 71 176.200 175.431 0.769 1
1 887 . 3 1 1 A 69 69 GLY N N 72 112.000 113.501 -1.501 1
1 888 . 3 1 1 A 69 69 GLY H H 72 8.370 8.274 0.096 1
1 889 . 3 1 1 A 69 69 GLY CA C 72 45.300 45.294 0.006 1
1 890 . 3 1 1 A 69 69 GLY HA2 H 72 3.910 3.827 0.083 1
1 891 . 3 1 1 A 69 69 GLY HA3 H 72 3.910 3.902 0.008 1
1 892 . 3 1 1 A 69 69 GLY C C 72 173.500 173.775 -0.275 1
1 10 . 4 1 1 A 2 2 VAL N N 5 122.400 126.303 -3.903 1
1 11 . 4 1 1 A 2 2 VAL H H 5 8.290 9.012 -0.722 1
1 12 . 4 1 1 A 2 2 VAL CA C 5 62.400 62.343 0.057 1
1 13 . 4 1 1 A 2 2 VAL HA H 5 4.120 4.501 -0.381 1
1 14 . 4 1 1 A 2 2 VAL CB C 5 32.600 31.831 0.769 1
1 24 . 4 1 1 A 2 2 VAL C C 5 175.700 174.725 0.975 1
1 25 . 4 1 1 A 3 3 ILE N N 6 125.000 128.457 -3.457 1
1 26 . 4 1 1 A 3 3 ILE H H 6 8.240 8.761 -0.521 1
1 27 . 4 1 1 A 3 3 ILE CA C 6 60.900 59.876 1.024 1
1 28 . 4 1 1 A 3 3 ILE HA H 6 4.210 4.646 -0.436 1
1 29 . 4 1 1 A 3 3 ILE CB C 6 38.700 39.697 -0.997 1
1 42 . 4 1 1 A 3 3 ILE C C 6 176.000 175.336 0.664 1
1 43 . 4 1 1 A 4 4 GLY N N 7 112.900 115.316 -2.416 1
1 44 . 4 1 1 A 4 4 GLY H H 7 8.330 8.329 0.001 1
1 45 . 4 1 1 A 4 4 GLY CA C 7 45.300 43.942 1.358 1
1 46 . 4 1 1 A 4 4 GLY HA2 H 7 4.140 4.101 0.039 1
1 47 . 4 1 1 A 4 4 GLY HA3 H 7 4.020 4.106 -0.086 1
1 48 . 4 1 1 A 4 4 GLY C C 7 172.800 171.845 0.955 1
1 49 . 4 1 1 A 5 5 MET N N 8 118.400 116.640 1.760 1
1 50 . 4 1 1 A 5 5 MET H H 8 8.540 8.562 -0.022 1
1 51 . 4 1 1 A 5 5 MET CA C 8 54.800 54.605 0.195 1
1 52 . 4 1 1 A 5 5 MET HA H 8 4.820 5.243 -0.423 1
1 53 . 4 1 1 A 5 5 MET CB C 8 35.500 35.280 0.220 1
1 63 . 4 1 1 A 5 5 MET C C 8 174.100 173.790 0.310 1
1 64 . 4 1 1 A 6 6 LYS N N 9 122.000 120.794 1.206 1
1 65 . 4 1 1 A 6 6 LYS H H 9 9.150 8.638 0.512 1
1 66 . 4 1 1 A 6 6 LYS CA C 9 55.100 54.818 0.282 1
1 67 . 4 1 1 A 6 6 LYS HA H 9 5.430 5.159 0.271 1
1 68 . 4 1 1 A 6 6 LYS CB C 9 36.100 35.226 0.874 1
1 80 . 4 1 1 A 6 6 LYS C C 9 174.500 175.804 -1.304 1
1 81 . 4 1 1 A 7 7 PHE N N 10 119.300 119.224 0.076 1
1 82 . 4 1 1 A 7 7 PHE H H 10 8.670 8.987 -0.317 1
1 83 . 4 1 1 A 7 7 PHE CA C 10 55.700 56.230 -0.530 1
1 84 . 4 1 1 A 7 7 PHE HA H 10 5.190 5.403 -0.213 1
1 85 . 4 1 1 A 7 7 PHE CB C 10 40.100 42.276 -2.176 1
1 92 . 4 1 1 A 7 7 PHE C C 10 172.400 172.124 0.276 1
1 93 . 4 1 1 A 8 8 THR N N 11 116.500 115.681 0.819 1
1 94 . 4 1 1 A 8 8 THR H H 11 8.440 8.942 -0.502 1
1 95 . 4 1 1 A 8 8 THR CA C 11 62.200 59.665 2.535 1
1 96 . 4 1 1 A 8 8 THR HA H 11 5.070 5.193 -0.123 1
1 97 . 4 1 1 A 8 8 THR CB C 11 70.800 71.322 -0.522 1
1 103 . 4 1 1 A 8 8 THR C C 11 173.300 172.496 0.804 1
1 104 . 4 1 1 A 9 9 VAL N N 12 126.200 125.698 0.502 1
1 105 . 4 1 1 A 9 9 VAL H H 12 9.400 9.384 0.016 1
1 106 . 4 1 1 A 9 9 VAL CA C 12 60.700 59.814 0.886 1
1 107 . 4 1 1 A 9 9 VAL HA H 12 5.090 5.554 -0.464 1
1 108 . 4 1 1 A 9 9 VAL CB C 12 34.100 34.806 -0.706 1
1 118 . 4 1 1 A 9 9 VAL C C 12 174.500 173.105 1.395 1
1 119 . 4 1 1 A 10 10 ILE N N 13 129.600 129.743 -0.143 1
1 120 . 4 1 1 A 10 10 ILE H H 13 9.560 8.747 0.813 1
1 121 . 4 1 1 A 10 10 ILE CA C 13 61.400 60.267 1.133 1
1 122 . 4 1 1 A 10 10 ILE HA H 13 4.640 4.738 -0.098 1
1 123 . 4 1 1 A 10 10 ILE CB C 13 39.700 39.620 0.080 1
1 136 . 4 1 1 A 10 10 ILE C C 13 175.200 174.483 0.717 1
1 137 . 4 1 1 A 11 11 THR N N 14 116.800 124.061 -7.261 1
1 138 . 4 1 1 A 11 11 THR H H 14 8.430 9.023 -0.593 1
1 139 . 4 1 1 A 11 11 THR CA C 14 59.200 60.856 -1.656 1
1 140 . 4 1 1 A 11 11 THR HA H 14 5.160 4.732 0.428 1
1 141 . 4 1 1 A 11 11 THR CB C 14 71.900 71.828 0.072 1
1 147 . 4 1 1 A 11 11 THR C C 14 175.800 174.728 1.072 1
1 148 . 4 1 1 A 12 12 ASP N N 15 120.000 124.016 -4.016 1
1 149 . 4 1 1 A 12 12 ASP H H 15 9.010 8.854 0.156 1
1 150 . 4 1 1 A 12 12 ASP CA C 15 56.900 57.872 -0.972 1
1 151 . 4 1 1 A 12 12 ASP HA H 15 4.440 4.238 0.202 1
1 152 . 4 1 1 A 12 12 ASP CB C 15 40.900 40.825 0.075 1
1 155 . 4 1 1 A 12 12 ASP C C 15 176.600 177.054 -0.454 1
1 156 . 4 1 1 A 13 13 ASP N N 16 115.300 115.256 0.044 1
1 157 . 4 1 1 A 13 13 ASP H H 16 8.090 8.008 0.082 1
1 158 . 4 1 1 A 13 13 ASP CA C 16 53.400 53.440 -0.040 1
1 159 . 4 1 1 A 13 13 ASP HA H 16 4.730 4.559 0.171 1
1 160 . 4 1 1 A 13 13 ASP CB C 16 41.800 40.436 1.364 1
1 163 . 4 1 1 A 13 13 ASP C C 16 175.700 175.709 -0.009 1
1 164 . 4 1 1 A 14 14 GLY N N 17 108.000 106.523 1.477 1
1 165 . 4 1 1 A 14 14 GLY H H 17 7.610 7.025 0.585 1
1 166 . 4 1 1 A 14 14 GLY CA C 17 44.900 44.403 0.497 1
1 167 . 4 1 1 A 14 14 GLY HA2 H 17 4.450 4.132 0.318 1
1 168 . 4 1 1 A 14 14 GLY HA3 H 17 3.860 4.135 -0.275 1
1 169 . 4 1 1 A 14 14 GLY C C 17 171.800 171.603 0.197 1
1 170 . 4 1 1 A 15 15 LYS N N 18 120.600 121.109 -0.509 1
1 171 . 4 1 1 A 15 15 LYS H H 18 8.430 8.408 0.022 1
1 172 . 4 1 1 A 15 15 LYS CA C 18 55.400 54.983 0.417 1
1 173 . 4 1 1 A 15 15 LYS HA H 18 5.080 5.188 -0.108 1
1 174 . 4 1 1 A 15 15 LYS CB C 18 34.600 34.681 -0.081 1
1 186 . 4 1 1 A 15 15 LYS C C 18 175.600 175.118 0.482 1
1 187 . 4 1 1 A 16 16 LYS N N 19 125.700 125.803 -0.103 1
1 188 . 4 1 1 A 16 16 LYS H H 19 9.160 9.255 -0.095 1
1 189 . 4 1 1 A 16 16 LYS CA C 19 55.000 54.443 0.557 1
1 190 . 4 1 1 A 16 16 LYS HA H 19 4.620 5.002 -0.382 1
1 191 . 4 1 1 A 16 16 LYS CB C 19 36.100 36.006 0.094 1
1 201 . 4 1 1 A 16 16 LYS C C 19 174.000 174.711 -0.711 1
1 202 . 4 1 1 A 17 17 ILE N N 20 123.800 123.179 0.621 1
1 203 . 4 1 1 A 17 17 ILE H H 20 8.420 8.766 -0.346 1
1 204 . 4 1 1 A 17 17 ILE CA C 20 60.400 59.418 0.982 1
1 205 . 4 1 1 A 17 17 ILE HA H 20 4.620 4.952 -0.332 1
1 206 . 4 1 1 A 17 17 ILE CB C 20 37.900 40.792 -2.892 1
1 219 . 4 1 1 A 17 17 ILE C C 20 175.700 173.753 1.947 1
1 220 . 4 1 1 A 18 18 LEU N N 21 130.500 129.762 0.738 1
1 221 . 4 1 1 A 18 18 LEU H H 21 8.600 9.112 -0.512 1
1 222 . 4 1 1 A 18 18 LEU CA C 21 53.500 53.647 -0.147 1
1 223 . 4 1 1 A 18 18 LEU HA H 21 4.490 4.993 -0.503 1
1 224 . 4 1 1 A 18 18 LEU CB C 21 44.500 45.431 -0.931 1
1 236 . 4 1 1 A 18 18 LEU C C 21 174.000 175.490 -1.490 1
1 237 . 4 1 1 A 19 19 GLU N N 22 116.200 122.602 -6.402 1
1 238 . 4 1 1 A 19 19 GLU H H 22 7.940 8.660 -0.720 1
1 239 . 4 1 1 A 19 19 GLU CA C 22 53.800 54.873 -1.073 1
1 240 . 4 1 1 A 19 19 GLU HA H 22 5.280 5.365 -0.085 1
1 241 . 4 1 1 A 19 19 GLU CB C 22 33.400 33.267 0.133 1
1 247 . 4 1 1 A 19 19 GLU C C 22 176.600 175.205 1.395 1
1 248 . 4 1 1 A 20 20 SER N N 23 114.700 123.391 -8.691 1
1 249 . 4 1 1 A 20 20 SER H H 23 8.630 9.062 -0.432 1
1 250 . 4 1 1 A 20 20 SER CA C 23 57.400 57.517 -0.117 1
1 251 . 4 1 1 A 20 20 SER HA H 23 4.780 5.173 -0.393 1
1 252 . 4 1 1 A 20 20 SER CB C 23 65.900 66.824 -0.924 1
1 255 . 4 1 1 A 20 20 SER C C 23 174.100 174.443 -0.343 1
1 256 . 4 1 1 A 21 21 GLY N N 24 109.400 112.890 -3.490 1
1 257 . 4 1 1 A 21 21 GLY H H 24 8.340 8.745 -0.405 1
1 258 . 4 1 1 A 21 21 GLY CA C 24 45.100 45.766 -0.666 1
1 259 . 4 1 1 A 21 21 GLY HA2 H 24 4.470 3.881 0.589 1
1 260 . 4 1 1 A 21 21 GLY HA3 H 24 3.790 3.886 -0.096 1
1 261 . 4 1 1 A 21 21 GLY C C 24 172.600 173.808 -1.208 1
1 262 . 4 1 1 A 22 22 ALA N N 25 122.500 122.607 -0.107 1
1 263 . 4 1 1 A 22 22 ALA H H 25 7.790 7.673 0.117 1
1 264 . 4 1 1 A 22 22 ALA CA C 25 49.900 49.357 0.543 1
1 265 . 4 1 1 A 22 22 ALA HA H 25 4.780 4.747 0.033 1
1 269 . 4 1 1 A 22 22 ALA CB C 25 20.600 21.207 -0.607 1
1 271 . 4 1 1 A 23 23 PRO CA C 26 63.700 62.684 1.016 1
1 272 . 4 1 1 A 23 23 PRO HA H 26 4.400 4.683 -0.283 1
1 273 . 4 1 1 A 23 23 PRO CB C 26 31.900 31.712 0.188 1
1 281 . 4 1 1 A 23 23 PRO C C 26 176.500 176.040 0.460 1
1 282 . 4 1 1 A 24 24 ARG N N 27 120.200 124.174 -3.974 1
1 283 . 4 1 1 A 24 24 ARG H H 27 7.810 8.571 -0.761 1
1 284 . 4 1 1 A 24 24 ARG CA C 27 53.800 54.396 -0.596 1
1 285 . 4 1 1 A 24 24 ARG HA H 27 4.680 4.774 -0.094 1
1 286 . 4 1 1 A 24 24 ARG CB C 27 35.600 33.089 2.511 1
1 295 . 4 1 1 A 24 24 ARG C C 27 174.300 174.300 0.000 1
1 296 . 4 1 1 A 25 25 ARG N N 28 119.300 121.319 -2.019 1
1 297 . 4 1 1 A 25 25 ARG H H 28 8.900 8.438 0.462 1
1 298 . 4 1 1 A 25 25 ARG CA C 28 54.200 54.485 -0.285 1
1 299 . 4 1 1 A 25 25 ARG HA H 28 4.870 4.671 0.199 1
1 300 . 4 1 1 A 25 25 ARG CB C 28 32.200 32.386 -0.186 1
1 309 . 4 1 1 A 25 25 ARG C C 28 178.300 177.039 1.261 1
1 310 . 4 1 1 A 26 26 ILE N N 29 123.500 124.713 -1.213 1
1 311 . 4 1 1 A 26 26 ILE H H 29 8.630 9.263 -0.633 1
1 312 . 4 1 1 A 26 26 ILE CA C 29 65.200 65.231 -0.031 1
1 313 . 4 1 1 A 26 26 ILE HA H 29 3.410 3.609 -0.199 1
1 314 . 4 1 1 A 26 26 ILE CB C 29 36.500 37.713 -1.213 1
1 327 . 4 1 1 A 26 26 ILE C C 29 178.600 178.017 0.583 1
1 328 . 4 1 1 A 27 27 LYS N N 30 115.100 120.817 -5.717 1
1 329 . 4 1 1 A 27 27 LYS H H 30 8.900 8.158 0.742 1
1 330 . 4 1 1 A 27 27 LYS CA C 30 59.300 59.004 0.296 1
1 331 . 4 1 1 A 27 27 LYS HA H 30 3.900 3.927 -0.027 1
1 332 . 4 1 1 A 27 27 LYS CB C 30 31.700 32.172 -0.472 1
1 344 . 4 1 1 A 27 27 LYS C C 30 178.000 177.839 0.161 1
1 345 . 4 1 1 A 28 28 ASP N N 31 119.700 119.495 0.205 1
1 346 . 4 1 1 A 28 28 ASP H H 31 7.180 7.930 -0.750 1
1 347 . 4 1 1 A 28 28 ASP CA C 31 56.900 57.368 -0.468 1
1 348 . 4 1 1 A 28 28 ASP HA H 31 4.480 4.388 0.092 1
1 349 . 4 1 1 A 28 28 ASP CB C 31 41.300 41.216 0.084 1
1 352 . 4 1 1 A 28 28 ASP C C 31 178.600 178.589 0.011 1
1 353 . 4 1 1 A 29 29 VAL N N 32 122.100 118.560 3.540 1
1 354 . 4 1 1 A 29 29 VAL H H 32 7.410 7.445 -0.035 1
1 355 . 4 1 1 A 29 29 VAL CA C 32 65.900 66.259 -0.359 1
1 356 . 4 1 1 A 29 29 VAL HA H 32 3.730 3.610 0.120 1
1 357 . 4 1 1 A 29 29 VAL CB C 32 32.000 31.442 0.558 1
1 367 . 4 1 1 A 29 29 VAL C C 32 177.600 178.292 -0.692 1
1 368 . 4 1 1 A 30 30 LEU N N 33 118.000 120.704 -2.704 1
1 369 . 4 1 1 A 30 30 LEU H H 33 8.380 8.719 -0.339 1
1 370 . 4 1 1 A 30 30 LEU CA C 33 58.500 57.774 0.726 1
1 371 . 4 1 1 A 30 30 LEU HA H 33 3.910 3.969 -0.059 1
1 372 . 4 1 1 A 30 30 LEU CB C 33 39.200 41.746 -2.546 1
1 385 . 4 1 1 A 30 30 LEU C C 33 179.200 178.987 0.213 1
1 386 . 4 1 1 A 31 31 GLY N N 34 104.500 106.229 -1.729 1
1 387 . 4 1 1 A 31 31 GLY H H 34 7.730 8.321 -0.591 1
1 388 . 4 1 1 A 31 31 GLY CA C 34 47.100 47.247 -0.147 1
1 389 . 4 1 1 A 31 31 GLY HA2 H 34 3.940 3.742 0.198 1
1 390 . 4 1 1 A 31 31 GLY HA3 H 34 3.940 3.745 0.195 1
1 391 . 4 1 1 A 31 31 GLY C C 34 177.500 175.598 1.902 1
1 392 . 4 1 1 A 32 32 GLU N N 35 124.300 121.770 2.530 1
1 393 . 4 1 1 A 32 32 GLU H H 35 7.750 8.031 -0.281 1
1 394 . 4 1 1 A 32 32 GLU CA C 35 59.100 59.107 -0.007 1
1 395 . 4 1 1 A 32 32 GLU HA H 35 4.130 4.075 0.055 1
1 396 . 4 1 1 A 32 32 GLU CB C 35 29.800 29.426 0.374 1
1 402 . 4 1 1 A 32 32 GLU C C 35 178.300 178.591 -0.291 1
1 403 . 4 1 1 A 33 33 LEU N N 36 117.300 118.263 -0.963 1
1 404 . 4 1 1 A 33 33 LEU H H 36 7.750 7.705 0.045 1
1 405 . 4 1 1 A 33 33 LEU CA C 36 55.000 54.870 0.130 1
1 406 . 4 1 1 A 33 33 LEU HA H 36 4.270 4.286 -0.016 1
1 407 . 4 1 1 A 33 33 LEU CB C 36 42.100 42.429 -0.329 1
1 420 . 4 1 1 A 33 33 LEU C C 36 175.200 176.265 -1.065 1
1 421 . 4 1 1 A 34 34 GLU N N 37 115.500 118.999 -3.499 1
1 422 . 4 1 1 A 34 34 GLU H H 37 7.780 7.966 -0.186 1
1 423 . 4 1 1 A 34 34 GLU CA C 37 57.200 57.294 -0.094 1
1 424 . 4 1 1 A 34 34 GLU HA H 37 3.830 3.994 -0.164 1
1 425 . 4 1 1 A 34 34 GLU CB C 37 26.700 28.159 -1.459 1
1 431 . 4 1 1 A 34 34 GLU C C 37 175.300 175.102 0.198 1
1 432 . 4 1 1 A 35 35 ILE N N 38 121.300 120.136 1.164 1
1 433 . 4 1 1 A 35 35 ILE H H 38 8.010 7.544 0.466 1
1 434 . 4 1 1 A 35 35 ILE CA C 38 58.300 57.344 0.956 1
1 435 . 4 1 1 A 35 35 ILE HA H 38 4.410 4.560 -0.150 1
1 436 . 4 1 1 A 35 35 ILE CB C 38 40.300 41.459 -1.159 1
1 450 . 4 1 1 A 36 36 PRO CA C 39 62.400 62.874 -0.474 1
1 451 . 4 1 1 A 36 36 PRO HA H 39 4.470 4.666 -0.196 1
1 452 . 4 1 1 A 36 36 PRO CB C 39 31.600 31.690 -0.090 1
1 460 . 4 1 1 A 36 36 PRO C C 39 179.200 177.572 1.628 1
1 461 . 4 1 1 A 37 37 ILE N N 40 127.500 125.549 1.951 1
1 462 . 4 1 1 A 37 37 ILE H H 40 8.350 9.006 -0.656 1
1 463 . 4 1 1 A 37 37 ILE CA C 40 63.700 62.778 0.922 1
1 464 . 4 1 1 A 37 37 ILE HA H 40 3.750 4.203 -0.453 1
1 465 . 4 1 1 A 37 37 ILE CB C 40 38.600 38.259 0.341 1
1 478 . 4 1 1 A 37 37 ILE C C 40 176.100 177.330 -1.230 1
1 479 . 4 1 1 A 38 38 GLU N N 41 118.500 122.224 -3.724 1
1 480 . 4 1 1 A 38 38 GLU H H 41 9.370 7.937 1.433 1
1 481 . 4 1 1 A 38 38 GLU CA C 41 58.400 59.527 -1.127 1
1 482 . 4 1 1 A 38 38 GLU HA H 41 4.330 4.018 0.312 1
1 483 . 4 1 1 A 38 38 GLU CB C 41 28.500 29.425 -0.925 1
1 489 . 4 1 1 A 38 38 GLU C C 41 177.600 178.476 -0.876 1
1 490 . 4 1 1 A 39 39 THR N N 42 107.400 113.362 -5.962 1
1 491 . 4 1 1 A 39 39 THR H H 42 7.810 7.745 0.065 1
1 492 . 4 1 1 A 39 39 THR CA C 42 61.600 64.011 -2.411 1
1 493 . 4 1 1 A 39 39 THR HA H 42 4.520 4.316 0.204 1
1 494 . 4 1 1 A 39 39 THR CB C 42 70.300 69.758 0.542 1
1 500 . 4 1 1 A 39 39 THR C C 42 174.000 174.199 -0.199 1
1 501 . 4 1 1 A 40 40 VAL N N 43 112.000 118.196 -6.196 1
1 502 . 4 1 1 A 40 40 VAL H H 43 7.230 7.301 -0.071 1
1 503 . 4 1 1 A 40 40 VAL CA C 43 59.100 59.166 -0.066 1
1 504 . 4 1 1 A 40 40 VAL HA H 43 5.420 4.918 0.502 1
1 505 . 4 1 1 A 40 40 VAL CB C 43 36.400 34.863 1.537 1
1 515 . 4 1 1 A 40 40 VAL C C 43 175.200 174.696 0.504 1
1 516 . 4 1 1 A 41 41 VAL N N 44 120.400 122.103 -1.703 1
1 517 . 4 1 1 A 41 41 VAL H H 44 9.080 8.465 0.615 1
1 518 . 4 1 1 A 41 41 VAL CA C 44 61.500 61.412 0.088 1
1 519 . 4 1 1 A 41 41 VAL HA H 44 4.230 4.573 -0.343 1
1 520 . 4 1 1 A 41 41 VAL CB C 44 34.600 33.482 1.118 1
1 530 . 4 1 1 A 41 41 VAL C C 44 174.000 175.171 -1.171 1
1 531 . 4 1 1 A 42 42 VAL N N 45 123.400 127.264 -3.864 1
1 532 . 4 1 1 A 42 42 VAL H H 45 8.820 8.816 0.004 1
1 533 . 4 1 1 A 42 42 VAL CA C 45 60.000 60.877 -0.877 1
1 534 . 4 1 1 A 42 42 VAL HA H 45 5.120 5.136 -0.016 1
1 535 . 4 1 1 A 42 42 VAL CB C 45 34.300 34.424 -0.124 1
1 545 . 4 1 1 A 42 42 VAL C C 45 174.700 174.818 -0.118 1
1 546 . 4 1 1 A 43 43 LYS N N 46 121.700 125.053 -3.353 1
1 547 . 4 1 1 A 43 43 LYS H H 46 8.920 9.371 -0.451 1
1 548 . 4 1 1 A 43 43 LYS CA C 46 53.800 54.094 -0.294 1
1 549 . 4 1 1 A 43 43 LYS HA H 46 5.180 5.441 -0.261 1
1 550 . 4 1 1 A 43 43 LYS CB C 46 36.900 35.897 1.003 1
1 562 . 4 1 1 A 43 43 LYS C C 46 175.600 175.232 0.368 1
1 563 . 4 1 1 A 44 44 LYS N N 47 122.300 121.891 0.409 1
1 564 . 4 1 1 A 44 44 LYS H H 47 9.240 9.167 0.073 1
1 565 . 4 1 1 A 44 44 LYS CA C 47 54.400 54.993 -0.593 1
1 566 . 4 1 1 A 44 44 LYS HA H 47 5.190 4.806 0.384 1
1 567 . 4 1 1 A 44 44 LYS CB C 47 36.100 31.961 4.139 1
1 578 . 4 1 1 A 44 44 LYS C C 47 176.000 176.979 -0.979 1
1 579 . 4 1 1 A 45 45 ASN N N 48 129.600 122.650 6.950 1
1 580 . 4 1 1 A 45 45 ASN H H 48 9.980 9.517 0.463 1
1 581 . 4 1 1 A 45 45 ASN CA C 48 54.300 54.725 -0.425 1
1 582 . 4 1 1 A 45 45 ASN HA H 48 4.490 4.522 -0.032 1
1 583 . 4 1 1 A 45 45 ASN CB C 48 37.200 38.388 -1.188 1
1 589 . 4 1 1 A 45 45 ASN C C 48 175.800 174.921 0.879 1
1 590 . 4 1 1 A 46 46 GLY N N 49 103.200 106.179 -2.979 1
1 591 . 4 1 1 A 46 46 GLY H H 49 9.340 8.618 0.722 1
1 592 . 4 1 1 A 46 46 GLY CA C 49 45.200 45.587 -0.387 1
1 593 . 4 1 1 A 46 46 GLY HA2 H 49 4.300 4.028 0.272 1
1 594 . 4 1 1 A 46 46 GLY HA3 H 49 3.650 4.030 -0.380 1
1 595 . 4 1 1 A 46 46 GLY C C 49 173.600 174.451 -0.851 1
1 596 . 4 1 1 A 47 47 GLN N N 50 119.700 119.991 -0.291 1
1 597 . 4 1 1 A 47 47 GLN H H 50 7.690 7.635 0.055 1
1 598 . 4 1 1 A 47 47 GLN CA C 50 53.500 55.501 -2.001 1
1 599 . 4 1 1 A 47 47 GLN HA H 50 4.770 4.404 0.366 1
1 600 . 4 1 1 A 47 47 GLN CB C 50 31.300 29.572 1.728 1
1 606 . 4 1 1 A 47 47 GLN C C 50 175.000 175.651 -0.651 1
1 607 . 4 1 1 A 48 48 ILE N N 51 125.800 124.260 1.540 1
1 608 . 4 1 1 A 48 48 ILE H H 51 8.790 8.522 0.268 1
1 609 . 4 1 1 A 48 48 ILE CA C 51 63.000 62.479 0.521 1
1 610 . 4 1 1 A 48 48 ILE HA H 51 4.380 4.275 0.105 1
1 611 . 4 1 1 A 48 48 ILE CB C 51 37.400 37.530 -0.130 1
1 624 . 4 1 1 A 48 48 ILE C C 51 176.500 175.922 0.578 1
1 625 . 4 1 1 A 49 49 VAL N N 52 121.900 121.365 0.535 1
1 626 . 4 1 1 A 49 49 VAL H H 52 8.290 9.331 -1.041 1
1 627 . 4 1 1 A 49 49 VAL CA C 52 58.900 59.524 -0.624 1
1 628 . 4 1 1 A 49 49 VAL HA H 52 4.860 5.114 -0.254 1
1 629 . 4 1 1 A 49 49 VAL CB C 52 35.700 36.229 -0.529 1
1 639 . 4 1 1 A 50 50 ILE N N 53 114.600 115.937 -1.337 1
1 640 . 4 1 1 A 50 50 ILE H H 53 8.020 8.261 -0.241 1
1 641 . 4 1 1 A 50 50 ILE CA C 53 60.500 58.808 1.692 1
1 642 . 4 1 1 A 50 50 ILE HA H 53 4.610 4.640 -0.030 1
1 643 . 4 1 1 A 50 50 ILE CB C 53 39.500 40.580 -1.080 1
1 656 . 4 1 1 A 50 50 ILE C C 53 177.000 176.029 0.971 1
1 657 . 4 1 1 A 51 51 ASP N N 54 118.300 121.211 -2.911 1
1 658 . 4 1 1 A 51 51 ASP H H 54 8.390 9.044 -0.654 1
1 659 . 4 1 1 A 51 51 ASP CA C 54 56.300 55.932 0.368 1
1 660 . 4 1 1 A 51 51 ASP HA H 54 4.010 4.492 -0.482 1
1 661 . 4 1 1 A 51 51 ASP CB C 54 40.200 40.148 0.052 1
1 664 . 4 1 1 A 51 51 ASP C C 54 176.300 176.657 -0.357 1
1 665 . 4 1 1 A 52 52 GLU N N 55 116.900 117.781 -0.881 1
1 666 . 4 1 1 A 52 52 GLU H H 55 7.100 7.933 -0.833 1
1 667 . 4 1 1 A 52 52 GLU CA C 55 56.000 56.753 -0.753 1
1 668 . 4 1 1 A 52 52 GLU HA H 55 4.200 4.375 -0.175 1
1 669 . 4 1 1 A 52 52 GLU CB C 55 30.000 29.912 0.088 1
1 675 . 4 1 1 A 52 52 GLU C C 55 175.700 176.745 -1.045 1
1 676 . 4 1 1 A 53 53 GLU N N 56 120.300 120.786 -0.486 1
1 677 . 4 1 1 A 53 53 GLU H H 56 7.570 7.328 0.242 1
1 678 . 4 1 1 A 53 53 GLU CA C 56 57.400 55.881 1.519 1
1 679 . 4 1 1 A 53 53 GLU HA H 56 4.090 4.375 -0.285 1
1 680 . 4 1 1 A 53 53 GLU CB C 56 30.300 30.256 0.044 1
1 686 . 4 1 1 A 53 53 GLU C C 56 175.400 176.058 -0.658 1
1 687 . 4 1 1 A 54 54 GLU N N 57 123.400 121.839 1.561 1
1 688 . 4 1 1 A 54 54 GLU H H 57 8.430 8.604 -0.174 1
1 689 . 4 1 1 A 54 54 GLU CA C 57 56.500 56.650 -0.150 1
1 690 . 4 1 1 A 54 54 GLU HA H 57 4.320 4.215 0.105 1
1 691 . 4 1 1 A 54 54 GLU CB C 57 32.200 29.857 2.343 1
1 697 . 4 1 1 A 54 54 GLU C C 57 174.300 175.979 -1.679 1
1 698 . 4 1 1 A 55 55 ILE N N 58 122.000 122.434 -0.434 1
1 699 . 4 1 1 A 55 55 ILE H H 58 7.850 8.431 -0.581 1
1 700 . 4 1 1 A 55 55 ILE CA C 58 60.400 60.468 -0.068 1
1 701 . 4 1 1 A 55 55 ILE HA H 58 3.770 4.266 -0.496 1
1 702 . 4 1 1 A 55 55 ILE CB C 58 40.100 38.498 1.602 1
1 715 . 4 1 1 A 55 55 ILE C C 58 172.900 174.838 -1.938 1
1 716 . 4 1 1 A 56 56 PHE N N 59 124.500 126.656 -2.156 1
1 717 . 4 1 1 A 56 56 PHE H H 59 8.970 9.034 -0.064 1
1 718 . 4 1 1 A 56 56 PHE CA C 59 55.900 55.890 0.010 1
1 719 . 4 1 1 A 56 56 PHE HA H 59 4.820 5.065 -0.245 1
1 720 . 4 1 1 A 56 56 PHE CB C 59 41.900 42.103 -0.203 1
1 727 . 4 1 1 A 56 56 PHE C C 59 175.100 174.849 0.251 1
1 728 . 4 1 1 A 57 57 ASP N N 60 117.300 123.516 -6.216 1
1 729 . 4 1 1 A 57 57 ASP H H 60 8.320 8.901 -0.581 1
1 730 . 4 1 1 A 57 57 ASP CA C 60 56.400 56.032 0.368 1
1 731 . 4 1 1 A 57 57 ASP HA H 60 4.630 4.420 0.210 1
1 732 . 4 1 1 A 57 57 ASP CB C 60 42.700 40.392 2.308 1
1 735 . 4 1 1 A 57 57 ASP C C 60 177.900 177.094 0.806 1
1 736 . 4 1 1 A 58 58 GLY N N 61 114.600 113.923 0.677 1
1 737 . 4 1 1 A 58 58 GLY H H 61 9.700 9.344 0.356 1
1 738 . 4 1 1 A 58 58 GLY CA C 61 45.100 45.277 -0.177 1
1 739 . 4 1 1 A 58 58 GLY HA2 H 61 4.420 3.963 0.457 1
1 740 . 4 1 1 A 58 58 GLY HA3 H 61 3.770 3.970 -0.200 1
1 741 . 4 1 1 A 58 58 GLY C C 61 174.900 173.411 1.489 1
1 742 . 4 1 1 A 59 59 ASP N N 62 122.200 121.147 1.053 1
1 743 . 4 1 1 A 59 59 ASP H H 62 8.350 7.822 0.528 1
1 744 . 4 1 1 A 59 59 ASP CA C 62 55.900 53.151 2.749 1
1 745 . 4 1 1 A 59 59 ASP HA H 62 4.940 5.038 -0.098 1
1 746 . 4 1 1 A 59 59 ASP CB C 62 42.500 42.899 -0.399 1
1 749 . 4 1 1 A 59 59 ASP C C 62 176.000 175.350 0.650 1
1 750 . 4 1 1 A 60 60 ILE N N 63 119.100 123.851 -4.751 1
1 751 . 4 1 1 A 60 60 ILE H H 63 8.400 8.769 -0.369 1
1 752 . 4 1 1 A 60 60 ILE CA C 63 60.700 60.016 0.684 1
1 753 . 4 1 1 A 60 60 ILE HA H 63 4.690 4.975 -0.285 1
1 754 . 4 1 1 A 60 60 ILE CB C 63 39.700 40.497 -0.797 1
1 767 . 4 1 1 A 60 60 ILE C C 63 175.400 174.634 0.766 1
1 768 . 4 1 1 A 61 61 ILE N N 64 130.300 128.929 1.371 1
1 769 . 4 1 1 A 61 61 ILE H H 64 9.550 9.569 -0.019 1
1 770 . 4 1 1 A 61 61 ILE CA C 64 58.300 60.434 -2.134 1
1 771 . 4 1 1 A 61 61 ILE HA H 64 5.230 4.661 0.569 1
1 772 . 4 1 1 A 61 61 ILE CB C 64 38.700 38.354 0.346 1
1 785 . 4 1 1 A 61 61 ILE C C 64 174.400 174.732 -0.332 1
1 786 . 4 1 1 A 62 62 GLU N N 65 126.800 127.524 -0.724 1
1 787 . 4 1 1 A 62 62 GLU H H 65 9.340 9.550 -0.210 1
1 788 . 4 1 1 A 62 62 GLU CA C 65 54.500 55.567 -1.067 1
1 789 . 4 1 1 A 62 62 GLU HA H 65 5.080 4.776 0.304 1
1 790 . 4 1 1 A 62 62 GLU CB C 65 33.300 29.830 3.470 1
1 796 . 4 1 1 A 62 62 GLU C C 65 174.300 175.401 -1.101 1
1 797 . 4 1 1 A 63 63 VAL N N 66 124.300 126.026 -1.726 1
1 798 . 4 1 1 A 63 63 VAL H H 66 8.710 8.438 0.272 1
1 799 . 4 1 1 A 63 63 VAL CA C 66 61.900 62.053 -0.153 1
1 800 . 4 1 1 A 63 63 VAL HA H 66 4.420 4.627 -0.207 1
1 801 . 4 1 1 A 63 63 VAL CB C 66 32.600 31.891 0.709 1
1 811 . 4 1 1 A 63 63 VAL C C 66 175.300 175.058 0.242 1
1 812 . 4 1 1 A 64 64 ILE N N 67 131.200 128.738 2.462 1
1 813 . 4 1 1 A 64 64 ILE H H 67 9.180 9.595 -0.415 1
1 814 . 4 1 1 A 64 64 ILE CA C 67 60.200 60.614 -0.414 1
1 815 . 4 1 1 A 64 64 ILE HA H 67 4.360 4.656 -0.296 1
1 816 . 4 1 1 A 64 64 ILE CB C 67 40.400 37.662 2.738 1
1 829 . 4 1 1 A 64 64 ILE C C 67 175.300 175.360 -0.060 1
1 830 . 4 1 1 A 65 65 ARG N N 68 126.900 127.348 -0.448 1
1 831 . 4 1 1 A 65 65 ARG H H 68 9.020 8.341 0.679 1
1 832 . 4 1 1 A 65 65 ARG CA C 68 57.200 56.060 1.140 1
1 833 . 4 1 1 A 65 65 ARG HA H 68 4.480 4.327 0.153 1
1 834 . 4 1 1 A 65 65 ARG CB C 68 30.500 30.391 0.109 1
1 843 . 4 1 1 A 65 65 ARG C C 68 176.800 175.660 1.140 1
1 844 . 4 1 1 A 66 66 VAL N N 69 122.300 121.262 1.038 1
1 845 . 4 1 1 A 66 66 VAL H H 69 8.280 8.471 -0.191 1
1 846 . 4 1 1 A 66 66 VAL CA C 69 62.200 61.703 0.497 1
1 847 . 4 1 1 A 66 66 VAL HA H 69 4.100 4.466 -0.366 1
1 848 . 4 1 1 A 66 66 VAL CB C 69 32.800 33.035 -0.235 1
1 858 . 4 1 1 A 66 66 VAL C C 69 175.500 175.021 0.479 1
1 859 . 4 1 1 A 67 67 ILE N N 70 124.000 126.990 -2.990 1
1 860 . 4 1 1 A 67 67 ILE H H 70 7.930 8.386 -0.456 1
1 861 . 4 1 1 A 67 67 ILE CA C 70 60.300 60.461 -0.161 1
1 862 . 4 1 1 A 67 67 ILE HA H 70 4.210 4.533 -0.323 1
1 863 . 4 1 1 A 67 67 ILE CB C 70 38.900 38.693 0.207 1
1 876 . 4 1 1 A 67 67 ILE C C 70 175.500 174.546 0.954 1
1 877 . 4 1 1 A 68 68 TYR N N 71 126.200 131.537 -5.337 1
1 878 . 4 1 1 A 68 68 TYR H H 71 8.450 9.038 -0.588 1
1 879 . 4 1 1 A 68 68 TYR CA C 71 57.900 56.248 1.652 1
1 880 . 4 1 1 A 68 68 TYR HA H 71 4.590 5.137 -0.547 1
1 881 . 4 1 1 A 68 68 TYR CB C 71 39.000 39.994 -0.994 1
1 886 . 4 1 1 A 68 68 TYR C C 71 176.200 174.548 1.652 1
1 887 . 4 1 1 A 69 69 GLY N N 72 112.000 113.204 -1.204 1
1 888 . 4 1 1 A 69 69 GLY H H 72 8.370 8.603 -0.233 1
1 889 . 4 1 1 A 69 69 GLY CA C 72 45.300 44.723 0.577 1
1 890 . 4 1 1 A 69 69 GLY HA2 H 72 3.910 4.349 -0.439 1
1 891 . 4 1 1 A 69 69 GLY HA3 H 72 3.910 4.411 -0.501 1
1 892 . 4 1 1 A 69 69 GLY C C 72 173.500 172.241 1.259 1
1 10 . 5 1 1 A 2 2 VAL N N 5 122.400 124.892 -2.492 1
1 11 . 5 1 1 A 2 2 VAL H H 5 8.290 8.767 -0.477 1
1 12 . 5 1 1 A 2 2 VAL CA C 5 62.400 62.752 -0.352 1
1 13 . 5 1 1 A 2 2 VAL HA H 5 4.120 4.197 -0.077 1
1 14 . 5 1 1 A 2 2 VAL CB C 5 32.600 31.299 1.301 1
1 24 . 5 1 1 A 2 2 VAL C C 5 175.700 175.112 0.588 1
1 25 . 5 1 1 A 3 3 ILE N N 6 125.000 128.190 -3.190 1
1 26 . 5 1 1 A 3 3 ILE H H 6 8.240 8.682 -0.442 1
1 27 . 5 1 1 A 3 3 ILE CA C 6 60.900 60.563 0.337 1
1 28 . 5 1 1 A 3 3 ILE HA H 6 4.210 4.607 -0.397 1
1 29 . 5 1 1 A 3 3 ILE CB C 6 38.700 39.526 -0.826 1
1 42 . 5 1 1 A 3 3 ILE C C 6 176.000 175.992 0.008 1
1 43 . 5 1 1 A 4 4 GLY N N 7 112.900 116.665 -3.765 1
1 44 . 5 1 1 A 4 4 GLY H H 7 8.330 8.579 -0.249 1
1 45 . 5 1 1 A 4 4 GLY CA C 7 45.300 44.712 0.588 1
1 46 . 5 1 1 A 4 4 GLY HA2 H 7 4.140 4.079 0.061 1
1 47 . 5 1 1 A 4 4 GLY HA3 H 7 4.020 4.080 -0.060 1
1 48 . 5 1 1 A 4 4 GLY C C 7 172.800 172.766 0.034 1
1 49 . 5 1 1 A 5 5 MET N N 8 118.400 115.855 2.545 1
1 50 . 5 1 1 A 5 5 MET H H 8 8.540 8.469 0.071 1
1 51 . 5 1 1 A 5 5 MET CA C 8 54.800 54.521 0.279 1
1 52 . 5 1 1 A 5 5 MET HA H 8 4.820 5.252 -0.432 1
1 53 . 5 1 1 A 5 5 MET CB C 8 35.500 35.374 0.126 1
1 63 . 5 1 1 A 5 5 MET C C 8 174.100 174.089 0.011 1
1 64 . 5 1 1 A 6 6 LYS N N 9 122.000 122.571 -0.571 1
1 65 . 5 1 1 A 6 6 LYS H H 9 9.150 9.436 -0.286 1
1 66 . 5 1 1 A 6 6 LYS CA C 9 55.100 54.955 0.145 1
1 67 . 5 1 1 A 6 6 LYS HA H 9 5.430 5.227 0.203 1
1 68 . 5 1 1 A 6 6 LYS CB C 9 36.100 33.921 2.179 1
1 80 . 5 1 1 A 6 6 LYS C C 9 174.500 175.411 -0.911 1
1 81 . 5 1 1 A 7 7 PHE N N 10 119.300 120.949 -1.649 1
1 82 . 5 1 1 A 7 7 PHE H H 10 8.670 9.007 -0.337 1
1 83 . 5 1 1 A 7 7 PHE CA C 10 55.700 55.087 0.613 1
1 84 . 5 1 1 A 7 7 PHE HA H 10 5.190 5.775 -0.585 1
1 85 . 5 1 1 A 7 7 PHE CB C 10 40.100 42.301 -2.201 1
1 92 . 5 1 1 A 7 7 PHE C C 10 172.400 173.369 -0.969 1
1 93 . 5 1 1 A 8 8 THR N N 11 116.500 115.900 0.600 1
1 94 . 5 1 1 A 8 8 THR H H 11 8.440 8.759 -0.319 1
1 95 . 5 1 1 A 8 8 THR CA C 11 62.200 61.626 0.574 1
1 96 . 5 1 1 A 8 8 THR HA H 11 5.070 4.840 0.230 1
1 97 . 5 1 1 A 8 8 THR CB C 11 70.800 69.915 0.885 1
1 103 . 5 1 1 A 8 8 THR C C 11 173.300 173.016 0.284 1
1 104 . 5 1 1 A 9 9 VAL N N 12 126.200 127.960 -1.760 1
1 105 . 5 1 1 A 9 9 VAL H H 12 9.400 9.338 0.062 1
1 106 . 5 1 1 A 9 9 VAL CA C 12 60.700 60.082 0.618 1
1 107 . 5 1 1 A 9 9 VAL HA H 12 5.090 5.296 -0.206 1
1 108 . 5 1 1 A 9 9 VAL CB C 12 34.100 34.169 -0.069 1
1 118 . 5 1 1 A 9 9 VAL C C 12 174.500 174.504 -0.004 1
1 119 . 5 1 1 A 10 10 ILE N N 13 129.600 130.521 -0.921 1
1 120 . 5 1 1 A 10 10 ILE H H 13 9.560 9.288 0.272 1
1 121 . 5 1 1 A 10 10 ILE CA C 13 61.400 60.000 1.400 1
1 122 . 5 1 1 A 10 10 ILE HA H 13 4.640 4.829 -0.189 1
1 123 . 5 1 1 A 10 10 ILE CB C 13 39.700 39.804 -0.104 1
1 136 . 5 1 1 A 10 10 ILE C C 13 175.200 174.122 1.078 1
1 137 . 5 1 1 A 11 11 THR N N 14 116.800 125.707 -8.907 1
1 138 . 5 1 1 A 11 11 THR H H 14 8.430 9.068 -0.638 1
1 139 . 5 1 1 A 11 11 THR CA C 14 59.200 60.786 -1.586 1
1 140 . 5 1 1 A 11 11 THR HA H 14 5.160 4.718 0.442 1
1 141 . 5 1 1 A 11 11 THR CB C 14 71.900 72.323 -0.423 1
1 147 . 5 1 1 A 11 11 THR C C 14 175.800 175.199 0.601 1
1 148 . 5 1 1 A 12 12 ASP N N 15 120.000 122.447 -2.447 1
1 149 . 5 1 1 A 12 12 ASP H H 15 9.010 9.021 -0.011 1
1 150 . 5 1 1 A 12 12 ASP CA C 15 56.900 56.190 0.710 1
1 151 . 5 1 1 A 12 12 ASP HA H 15 4.440 4.427 0.013 1
1 152 . 5 1 1 A 12 12 ASP CB C 15 40.900 39.937 0.963 1
1 155 . 5 1 1 A 12 12 ASP C C 15 176.600 176.129 0.471 1
1 156 . 5 1 1 A 13 13 ASP N N 16 115.300 116.987 -1.687 1
1 157 . 5 1 1 A 13 13 ASP H H 16 8.090 8.127 -0.037 1
1 158 . 5 1 1 A 13 13 ASP CA C 16 53.400 53.414 -0.014 1
1 159 . 5 1 1 A 13 13 ASP HA H 16 4.730 4.532 0.198 1
1 160 . 5 1 1 A 13 13 ASP CB C 16 41.800 40.535 1.265 1
1 163 . 5 1 1 A 13 13 ASP C C 16 175.700 175.750 -0.050 1
1 164 . 5 1 1 A 14 14 GLY N N 17 108.000 106.429 1.571 1
1 165 . 5 1 1 A 14 14 GLY H H 17 7.610 7.207 0.403 1
1 166 . 5 1 1 A 14 14 GLY CA C 17 44.900 44.304 0.596 1
1 167 . 5 1 1 A 14 14 GLY HA2 H 17 4.450 4.081 0.369 1
1 168 . 5 1 1 A 14 14 GLY HA3 H 17 3.860 4.084 -0.224 1
1 169 . 5 1 1 A 14 14 GLY C C 17 171.800 171.649 0.151 1
1 170 . 5 1 1 A 15 15 LYS N N 18 120.600 120.967 -0.367 1
1 171 . 5 1 1 A 15 15 LYS H H 18 8.430 8.363 0.067 1
1 172 . 5 1 1 A 15 15 LYS CA C 18 55.400 55.008 0.392 1
1 173 . 5 1 1 A 15 15 LYS HA H 18 5.080 4.807 0.273 1
1 174 . 5 1 1 A 15 15 LYS CB C 18 34.600 34.345 0.255 1
1 186 . 5 1 1 A 15 15 LYS C C 18 175.600 175.287 0.313 1
1 187 . 5 1 1 A 16 16 LYS N N 19 125.700 127.593 -1.893 1
1 188 . 5 1 1 A 16 16 LYS H H 19 9.160 9.345 -0.185 1
1 189 . 5 1 1 A 16 16 LYS CA C 19 55.000 55.361 -0.361 1
1 190 . 5 1 1 A 16 16 LYS HA H 19 4.620 4.757 -0.137 1
1 191 . 5 1 1 A 16 16 LYS CB C 19 36.100 33.487 2.613 1
1 201 . 5 1 1 A 16 16 LYS C C 19 174.000 174.740 -0.740 1
1 202 . 5 1 1 A 17 17 ILE N N 20 123.800 126.111 -2.311 1
1 203 . 5 1 1 A 17 17 ILE H H 20 8.420 8.600 -0.180 1
1 204 . 5 1 1 A 17 17 ILE CA C 20 60.400 60.763 -0.363 1
1 205 . 5 1 1 A 17 17 ILE HA H 20 4.620 4.578 0.042 1
1 206 . 5 1 1 A 17 17 ILE CB C 20 37.900 39.108 -1.208 1
1 219 . 5 1 1 A 17 17 ILE C C 20 175.700 173.733 1.967 1
1 220 . 5 1 1 A 18 18 LEU N N 21 130.500 131.308 -0.808 1
1 221 . 5 1 1 A 18 18 LEU H H 21 8.600 8.914 -0.314 1
1 222 . 5 1 1 A 18 18 LEU CA C 21 53.500 53.255 0.245 1
1 223 . 5 1 1 A 18 18 LEU HA H 21 4.490 5.000 -0.510 1
1 224 . 5 1 1 A 18 18 LEU CB C 21 44.500 44.783 -0.283 1
1 236 . 5 1 1 A 18 18 LEU C C 21 174.000 175.924 -1.924 1
1 237 . 5 1 1 A 19 19 GLU N N 22 116.200 120.853 -4.653 1
1 238 . 5 1 1 A 19 19 GLU H H 22 7.940 8.921 -0.981 1
1 239 . 5 1 1 A 19 19 GLU CA C 22 53.800 54.706 -0.906 1
1 240 . 5 1 1 A 19 19 GLU HA H 22 5.280 5.284 -0.004 1
1 241 . 5 1 1 A 19 19 GLU CB C 22 33.400 33.244 0.156 1
1 247 . 5 1 1 A 19 19 GLU C C 22 176.600 174.546 2.054 1
1 248 . 5 1 1 A 20 20 SER N N 23 114.700 115.796 -1.096 1
1 249 . 5 1 1 A 20 20 SER H H 23 8.630 8.943 -0.313 1
1 250 . 5 1 1 A 20 20 SER CA C 23 57.400 56.026 1.374 1
1 251 . 5 1 1 A 20 20 SER HA H 23 4.780 5.166 -0.386 1
1 252 . 5 1 1 A 20 20 SER CB C 23 65.900 65.629 0.271 1
1 255 . 5 1 1 A 20 20 SER C C 23 174.100 174.659 -0.559 1
1 256 . 5 1 1 A 21 21 GLY N N 24 109.400 113.564 -4.164 1
1 257 . 5 1 1 A 21 21 GLY H H 24 8.340 8.790 -0.450 1
1 258 . 5 1 1 A 21 21 GLY CA C 24 45.100 46.024 -0.924 1
1 259 . 5 1 1 A 21 21 GLY HA2 H 24 4.470 3.866 0.604 1
1 260 . 5 1 1 A 21 21 GLY HA3 H 24 3.790 3.872 -0.082 1
1 261 . 5 1 1 A 21 21 GLY C C 24 172.600 173.961 -1.361 1
1 262 . 5 1 1 A 22 22 ALA N N 25 122.500 121.869 0.631 1
1 263 . 5 1 1 A 22 22 ALA H H 25 7.790 7.264 0.526 1
1 264 . 5 1 1 A 22 22 ALA CA C 25 49.900 49.795 0.105 1
1 265 . 5 1 1 A 22 22 ALA HA H 25 4.780 4.835 -0.055 1
1 269 . 5 1 1 A 22 22 ALA CB C 25 20.600 21.728 -1.128 1
1 271 . 5 1 1 A 23 23 PRO CA C 26 63.700 62.986 0.714 1
1 272 . 5 1 1 A 23 23 PRO HA H 26 4.400 4.582 -0.182 1
1 273 . 5 1 1 A 23 23 PRO CB C 26 31.900 32.051 -0.151 1
1 281 . 5 1 1 A 23 23 PRO C C 26 176.500 175.407 1.093 1
1 282 . 5 1 1 A 24 24 ARG N N 27 120.200 122.768 -2.568 1
1 283 . 5 1 1 A 24 24 ARG H H 27 7.810 8.146 -0.336 1
1 284 . 5 1 1 A 24 24 ARG CA C 27 53.800 54.499 -0.699 1
1 285 . 5 1 1 A 24 24 ARG HA H 27 4.680 4.862 -0.182 1
1 286 . 5 1 1 A 24 24 ARG CB C 27 35.600 33.760 1.840 1
1 295 . 5 1 1 A 24 24 ARG C C 27 174.300 174.743 -0.443 1
1 296 . 5 1 1 A 25 25 ARG N N 28 119.300 123.696 -4.396 1
1 297 . 5 1 1 A 25 25 ARG H H 28 8.900 8.698 0.202 1
1 298 . 5 1 1 A 25 25 ARG CA C 28 54.200 54.431 -0.231 1
1 299 . 5 1 1 A 25 25 ARG HA H 28 4.870 4.434 0.436 1
1 300 . 5 1 1 A 25 25 ARG CB C 28 32.200 31.855 0.345 1
1 309 . 5 1 1 A 25 25 ARG C C 28 178.300 177.633 0.667 1
1 310 . 5 1 1 A 26 26 ILE N N 29 123.500 123.104 0.396 1
1 311 . 5 1 1 A 26 26 ILE H H 29 8.630 9.122 -0.492 1
1 312 . 5 1 1 A 26 26 ILE CA C 29 65.200 65.269 -0.069 1
1 313 . 5 1 1 A 26 26 ILE HA H 29 3.410 3.636 -0.226 1
1 314 . 5 1 1 A 26 26 ILE CB C 29 36.500 37.933 -1.433 1
1 327 . 5 1 1 A 26 26 ILE C C 29 178.600 177.961 0.639 1
1 328 . 5 1 1 A 27 27 LYS N N 30 115.100 120.497 -5.397 1
1 329 . 5 1 1 A 27 27 LYS H H 30 8.900 8.516 0.384 1
1 330 . 5 1 1 A 27 27 LYS CA C 30 59.300 59.972 -0.672 1
1 331 . 5 1 1 A 27 27 LYS HA H 30 3.900 3.811 0.089 1
1 332 . 5 1 1 A 27 27 LYS CB C 30 31.700 32.211 -0.511 1
1 344 . 5 1 1 A 27 27 LYS C C 30 178.000 178.313 -0.313 1
1 345 . 5 1 1 A 28 28 ASP N N 31 119.700 119.730 -0.030 1
1 346 . 5 1 1 A 28 28 ASP H H 31 7.180 8.045 -0.865 1
1 347 . 5 1 1 A 28 28 ASP CA C 31 56.900 57.138 -0.238 1
1 348 . 5 1 1 A 28 28 ASP HA H 31 4.480 4.401 0.079 1
1 349 . 5 1 1 A 28 28 ASP CB C 31 41.300 40.838 0.462 1
1 352 . 5 1 1 A 28 28 ASP C C 31 178.600 178.777 -0.177 1
1 353 . 5 1 1 A 29 29 VAL N N 32 122.100 119.720 2.380 1
1 354 . 5 1 1 A 29 29 VAL H H 32 7.410 7.895 -0.485 1
1 355 . 5 1 1 A 29 29 VAL CA C 32 65.900 66.723 -0.823 1
1 356 . 5 1 1 A 29 29 VAL HA H 32 3.730 3.579 0.151 1
1 357 . 5 1 1 A 29 29 VAL CB C 32 32.000 31.442 0.558 1
1 367 . 5 1 1 A 29 29 VAL C C 32 177.600 178.239 -0.639 1
1 368 . 5 1 1 A 30 30 LEU N N 33 118.000 120.702 -2.702 1
1 369 . 5 1 1 A 30 30 LEU H H 33 8.380 8.608 -0.228 1
1 370 . 5 1 1 A 30 30 LEU CA C 33 58.500 57.715 0.785 1
1 371 . 5 1 1 A 30 30 LEU HA H 33 3.910 3.991 -0.081 1
1 372 . 5 1 1 A 30 30 LEU CB C 33 39.200 41.709 -2.509 1
1 385 . 5 1 1 A 30 30 LEU C C 33 179.200 179.346 -0.146 1
1 386 . 5 1 1 A 31 31 GLY N N 34 104.500 106.690 -2.190 1
1 387 . 5 1 1 A 31 31 GLY H H 34 7.730 8.503 -0.773 1
1 388 . 5 1 1 A 31 31 GLY CA C 34 47.100 47.231 -0.131 1
1 389 . 5 1 1 A 31 31 GLY HA2 H 34 3.940 3.753 0.187 1
1 390 . 5 1 1 A 31 31 GLY HA3 H 34 3.940 3.755 0.185 1
1 391 . 5 1 1 A 31 31 GLY C C 34 177.500 175.854 1.646 1
1 392 . 5 1 1 A 32 32 GLU N N 35 124.300 121.764 2.536 1
1 393 . 5 1 1 A 32 32 GLU H H 35 7.750 7.954 -0.204 1
1 394 . 5 1 1 A 32 32 GLU CA C 35 59.100 59.090 0.010 1
1 395 . 5 1 1 A 32 32 GLU HA H 35 4.130 4.041 0.089 1
1 396 . 5 1 1 A 32 32 GLU CB C 35 29.800 29.582 0.218 1
1 402 . 5 1 1 A 32 32 GLU C C 35 178.300 178.241 0.059 1
1 403 . 5 1 1 A 33 33 LEU N N 36 117.300 118.401 -1.101 1
1 404 . 5 1 1 A 33 33 LEU H H 36 7.750 7.725 0.025 1
1 405 . 5 1 1 A 33 33 LEU CA C 36 55.000 55.118 -0.118 1
1 406 . 5 1 1 A 33 33 LEU HA H 36 4.270 4.250 0.020 1
1 407 . 5 1 1 A 33 33 LEU CB C 36 42.100 42.068 0.032 1
1 420 . 5 1 1 A 33 33 LEU C C 36 175.200 176.195 -0.995 1
1 421 . 5 1 1 A 34 34 GLU N N 37 115.500 118.797 -3.297 1
1 422 . 5 1 1 A 34 34 GLU H H 37 7.780 8.045 -0.265 1
1 423 . 5 1 1 A 34 34 GLU CA C 37 57.200 57.302 -0.102 1
1 424 . 5 1 1 A 34 34 GLU HA H 37 3.830 4.001 -0.171 1
1 425 . 5 1 1 A 34 34 GLU CB C 37 26.700 28.219 -1.519 1
1 431 . 5 1 1 A 34 34 GLU C C 37 175.300 174.995 0.305 1
1 432 . 5 1 1 A 35 35 ILE N N 38 121.300 119.207 2.093 1
1 433 . 5 1 1 A 35 35 ILE H H 38 8.010 7.972 0.038 1
1 434 . 5 1 1 A 35 35 ILE CA C 38 58.300 57.534 0.766 1
1 435 . 5 1 1 A 35 35 ILE HA H 38 4.410 4.549 -0.139 1
1 436 . 5 1 1 A 35 35 ILE CB C 38 40.300 39.790 0.510 1
1 450 . 5 1 1 A 36 36 PRO CA C 39 62.400 63.186 -0.786 1
1 451 . 5 1 1 A 36 36 PRO HA H 39 4.470 4.568 -0.098 1
1 452 . 5 1 1 A 36 36 PRO CB C 39 31.600 31.751 -0.151 1
1 460 . 5 1 1 A 36 36 PRO C C 39 179.200 177.785 1.415 1
1 461 . 5 1 1 A 37 37 ILE N N 40 127.500 125.743 1.757 1
1 462 . 5 1 1 A 37 37 ILE H H 40 8.350 8.941 -0.591 1
1 463 . 5 1 1 A 37 37 ILE CA C 40 63.700 62.957 0.743 1
1 464 . 5 1 1 A 37 37 ILE HA H 40 3.750 3.997 -0.247 1
1 465 . 5 1 1 A 37 37 ILE CB C 40 38.600 38.243 0.357 1
1 478 . 5 1 1 A 37 37 ILE C C 40 176.100 177.189 -1.089 1
1 479 . 5 1 1 A 38 38 GLU N N 41 118.500 121.707 -3.207 1
1 480 . 5 1 1 A 38 38 GLU H H 41 9.370 8.093 1.277 1
1 481 . 5 1 1 A 38 38 GLU CA C 41 58.400 59.302 -0.902 1
1 482 . 5 1 1 A 38 38 GLU HA H 41 4.330 4.014 0.316 1
1 483 . 5 1 1 A 38 38 GLU CB C 41 28.500 29.649 -1.149 1
1 489 . 5 1 1 A 38 38 GLU C C 41 177.600 177.832 -0.232 1
1 490 . 5 1 1 A 39 39 THR N N 42 107.400 112.507 -5.107 1
1 491 . 5 1 1 A 39 39 THR H H 42 7.810 7.717 0.093 1
1 492 . 5 1 1 A 39 39 THR CA C 42 61.600 62.141 -0.541 1
1 493 . 5 1 1 A 39 39 THR HA H 42 4.520 4.416 0.104 1
1 494 . 5 1 1 A 39 39 THR CB C 42 70.300 69.419 0.881 1
1 500 . 5 1 1 A 39 39 THR C C 42 174.000 174.197 -0.197 1
1 501 . 5 1 1 A 40 40 VAL N N 43 112.000 119.280 -7.280 1
1 502 . 5 1 1 A 40 40 VAL H H 43 7.230 7.465 -0.235 1
1 503 . 5 1 1 A 40 40 VAL CA C 43 59.100 58.950 0.150 1
1 504 . 5 1 1 A 40 40 VAL HA H 43 5.420 5.007 0.413 1
1 505 . 5 1 1 A 40 40 VAL CB C 43 36.400 35.887 0.513 1
1 515 . 5 1 1 A 40 40 VAL C C 43 175.200 174.411 0.789 1
1 516 . 5 1 1 A 41 41 VAL N N 44 120.400 121.738 -1.338 1
1 517 . 5 1 1 A 41 41 VAL H H 44 9.080 9.136 -0.056 1
1 518 . 5 1 1 A 41 41 VAL CA C 44 61.500 60.564 0.936 1
1 519 . 5 1 1 A 41 41 VAL HA H 44 4.230 4.875 -0.645 1
1 520 . 5 1 1 A 41 41 VAL CB C 44 34.600 34.287 0.313 1
1 530 . 5 1 1 A 41 41 VAL C C 44 174.000 174.549 -0.549 1
1 531 . 5 1 1 A 42 42 VAL N N 45 123.400 128.280 -4.880 1
1 532 . 5 1 1 A 42 42 VAL H H 45 8.820 9.036 -0.216 1
1 533 . 5 1 1 A 42 42 VAL CA C 45 60.000 61.100 -1.100 1
1 534 . 5 1 1 A 42 42 VAL HA H 45 5.120 4.647 0.473 1
1 535 . 5 1 1 A 42 42 VAL CB C 45 34.300 33.079 1.221 1
1 545 . 5 1 1 A 42 42 VAL C C 45 174.700 174.816 -0.116 1
1 546 . 5 1 1 A 43 43 LYS N N 46 121.700 126.836 -5.136 1
1 547 . 5 1 1 A 43 43 LYS H H 46 8.920 9.233 -0.313 1
1 548 . 5 1 1 A 43 43 LYS CA C 46 53.800 54.593 -0.793 1
1 549 . 5 1 1 A 43 43 LYS HA H 46 5.180 4.927 0.253 1
1 550 . 5 1 1 A 43 43 LYS CB C 46 36.900 35.831 1.069 1
1 562 . 5 1 1 A 43 43 LYS C C 46 175.600 174.710 0.890 1
1 563 . 5 1 1 A 44 44 LYS N N 47 122.300 124.332 -2.032 1
1 564 . 5 1 1 A 44 44 LYS H H 47 9.240 9.110 0.130 1
1 565 . 5 1 1 A 44 44 LYS CA C 47 54.400 55.591 -1.191 1
1 566 . 5 1 1 A 44 44 LYS HA H 47 5.190 4.502 0.688 1
1 567 . 5 1 1 A 44 44 LYS CB C 47 36.100 33.534 2.566 1
1 578 . 5 1 1 A 44 44 LYS C C 47 176.000 176.594 -0.594 1
1 579 . 5 1 1 A 45 45 ASN N N 48 129.600 125.428 4.172 1
1 580 . 5 1 1 A 45 45 ASN H H 48 9.980 9.509 0.471 1
1 581 . 5 1 1 A 45 45 ASN CA C 48 54.300 55.152 -0.852 1
1 582 . 5 1 1 A 45 45 ASN HA H 48 4.490 4.632 -0.142 1
1 583 . 5 1 1 A 45 45 ASN CB C 48 37.200 38.359 -1.159 1
1 589 . 5 1 1 A 45 45 ASN C C 48 175.800 175.188 0.612 1
1 590 . 5 1 1 A 46 46 GLY N N 49 103.200 106.325 -3.125 1
1 591 . 5 1 1 A 46 46 GLY H H 49 9.340 8.625 0.715 1
1 592 . 5 1 1 A 46 46 GLY CA C 49 45.200 45.648 -0.448 1
1 593 . 5 1 1 A 46 46 GLY HA2 H 49 4.300 4.084 0.216 1
1 594 . 5 1 1 A 46 46 GLY HA3 H 49 3.650 4.084 -0.434 1
1 595 . 5 1 1 A 46 46 GLY C C 49 173.600 173.244 0.356 1
1 596 . 5 1 1 A 47 47 GLN N N 50 119.700 118.645 1.055 1
1 597 . 5 1 1 A 47 47 GLN H H 50 7.690 7.775 -0.085 1
1 598 . 5 1 1 A 47 47 GLN CA C 50 53.500 54.072 -0.572 1
1 599 . 5 1 1 A 47 47 GLN HA H 50 4.770 4.798 -0.028 1
1 600 . 5 1 1 A 47 47 GLN CB C 50 31.300 31.970 -0.670 1
1 606 . 5 1 1 A 47 47 GLN C C 50 175.000 174.866 0.134 1
1 607 . 5 1 1 A 48 48 ILE N N 51 125.800 123.835 1.965 1
1 608 . 5 1 1 A 48 48 ILE H H 51 8.790 8.586 0.204 1
1 609 . 5 1 1 A 48 48 ILE CA C 51 63.000 62.385 0.615 1
1 610 . 5 1 1 A 48 48 ILE HA H 51 4.380 4.359 0.021 1
1 611 . 5 1 1 A 48 48 ILE CB C 51 37.400 37.944 -0.544 1
1 624 . 5 1 1 A 48 48 ILE C C 51 176.500 175.964 0.536 1
1 625 . 5 1 1 A 49 49 VAL N N 52 121.900 121.109 0.791 1
1 626 . 5 1 1 A 49 49 VAL H H 52 8.290 8.566 -0.276 1
1 627 . 5 1 1 A 49 49 VAL CA C 52 58.900 59.222 -0.322 1
1 628 . 5 1 1 A 49 49 VAL HA H 52 4.860 5.001 -0.141 1
1 629 . 5 1 1 A 49 49 VAL CB C 52 35.700 35.781 -0.081 1
1 639 . 5 1 1 A 50 50 ILE N N 53 114.600 118.249 -3.649 1
1 640 . 5 1 1 A 50 50 ILE H H 53 8.020 8.276 -0.256 1
1 641 . 5 1 1 A 50 50 ILE CA C 53 60.500 59.415 1.085 1
1 642 . 5 1 1 A 50 50 ILE HA H 53 4.610 4.413 0.197 1
1 643 . 5 1 1 A 50 50 ILE CB C 53 39.500 39.964 -0.464 1
1 656 . 5 1 1 A 50 50 ILE C C 53 177.000 176.937 0.063 1
1 657 . 5 1 1 A 51 51 ASP N N 54 118.300 121.159 -2.859 1
1 658 . 5 1 1 A 51 51 ASP H H 54 8.390 8.808 -0.418 1
1 659 . 5 1 1 A 51 51 ASP CA C 54 56.300 56.057 0.243 1
1 660 . 5 1 1 A 51 51 ASP HA H 54 4.010 4.438 -0.428 1
1 661 . 5 1 1 A 51 51 ASP CB C 54 40.200 40.389 -0.189 1
1 664 . 5 1 1 A 51 51 ASP C C 54 176.300 177.098 -0.798 1
1 665 . 5 1 1 A 52 52 GLU N N 55 116.900 118.994 -2.094 1
1 666 . 5 1 1 A 52 52 GLU H H 55 7.100 7.877 -0.777 1
1 667 . 5 1 1 A 52 52 GLU CA C 55 56.000 56.849 -0.849 1
1 668 . 5 1 1 A 52 52 GLU HA H 55 4.200 4.280 -0.080 1
1 669 . 5 1 1 A 52 52 GLU CB C 55 30.000 29.568 0.432 1
1 675 . 5 1 1 A 52 52 GLU C C 55 175.700 176.993 -1.293 1
1 676 . 5 1 1 A 53 53 GLU N N 56 120.300 119.879 0.421 1
1 677 . 5 1 1 A 53 53 GLU H H 56 7.570 7.515 0.055 1
1 678 . 5 1 1 A 53 53 GLU CA C 56 57.400 56.281 1.119 1
1 679 . 5 1 1 A 53 53 GLU HA H 56 4.090 4.313 -0.223 1
1 680 . 5 1 1 A 53 53 GLU CB C 56 30.300 30.475 -0.175 1
1 686 . 5 1 1 A 53 53 GLU C C 56 175.400 176.369 -0.969 1
1 687 . 5 1 1 A 54 54 GLU N N 57 123.400 123.333 0.067 1
1 688 . 5 1 1 A 54 54 GLU H H 57 8.430 8.316 0.114 1
1 689 . 5 1 1 A 54 54 GLU CA C 57 56.500 55.807 0.693 1
1 690 . 5 1 1 A 54 54 GLU HA H 57 4.320 4.311 0.009 1
1 691 . 5 1 1 A 54 54 GLU CB C 57 32.200 30.213 1.987 1
1 697 . 5 1 1 A 54 54 GLU C C 57 174.300 175.700 -1.400 1
1 698 . 5 1 1 A 55 55 ILE N N 58 122.000 124.331 -2.331 1
1 699 . 5 1 1 A 55 55 ILE H H 58 7.850 8.237 -0.387 1
1 700 . 5 1 1 A 55 55 ILE CA C 58 60.400 59.493 0.907 1
1 701 . 5 1 1 A 55 55 ILE HA H 58 3.770 4.366 -0.596 1
1 702 . 5 1 1 A 55 55 ILE CB C 58 40.100 38.815 1.285 1
1 715 . 5 1 1 A 55 55 ILE C C 58 172.900 174.859 -1.959 1
1 716 . 5 1 1 A 56 56 PHE N N 59 124.500 123.986 0.514 1
1 717 . 5 1 1 A 56 56 PHE H H 59 8.970 8.689 0.281 1
1 718 . 5 1 1 A 56 56 PHE CA C 59 55.900 56.437 -0.537 1
1 719 . 5 1 1 A 56 56 PHE HA H 59 4.820 4.954 -0.134 1
1 720 . 5 1 1 A 56 56 PHE CB C 59 41.900 43.150 -1.250 1
1 727 . 5 1 1 A 56 56 PHE C C 59 175.100 174.582 0.518 1
1 728 . 5 1 1 A 57 57 ASP N N 60 117.300 123.246 -5.946 1
1 729 . 5 1 1 A 57 57 ASP H H 60 8.320 8.834 -0.514 1
1 730 . 5 1 1 A 57 57 ASP CA C 60 56.400 55.972 0.428 1
1 731 . 5 1 1 A 57 57 ASP HA H 60 4.630 4.418 0.212 1
1 732 . 5 1 1 A 57 57 ASP CB C 60 42.700 40.422 2.278 1
1 735 . 5 1 1 A 57 57 ASP C C 60 177.900 177.301 0.599 1
1 736 . 5 1 1 A 58 58 GLY N N 61 114.600 113.601 0.999 1
1 737 . 5 1 1 A 58 58 GLY H H 61 9.700 9.049 0.651 1
1 738 . 5 1 1 A 58 58 GLY CA C 61 45.100 45.681 -0.581 1
1 739 . 5 1 1 A 58 58 GLY HA2 H 61 4.420 3.930 0.490 1
1 740 . 5 1 1 A 58 58 GLY HA3 H 61 3.770 3.934 -0.164 1
1 741 . 5 1 1 A 58 58 GLY C C 61 174.900 173.317 1.583 1
1 742 . 5 1 1 A 59 59 ASP N N 62 122.200 121.168 1.032 1
1 743 . 5 1 1 A 59 59 ASP H H 62 8.350 7.820 0.530 1
1 744 . 5 1 1 A 59 59 ASP CA C 62 55.900 53.025 2.875 1
1 745 . 5 1 1 A 59 59 ASP HA H 62 4.940 5.074 -0.134 1
1 746 . 5 1 1 A 59 59 ASP CB C 62 42.500 43.114 -0.614 1
1 749 . 5 1 1 A 59 59 ASP C C 62 176.000 174.990 1.010 1
1 750 . 5 1 1 A 60 60 ILE N N 63 119.100 122.183 -3.083 1
1 751 . 5 1 1 A 60 60 ILE H H 63 8.400 8.645 -0.245 1
1 752 . 5 1 1 A 60 60 ILE CA C 63 60.700 59.976 0.724 1
1 753 . 5 1 1 A 60 60 ILE HA H 63 4.690 5.204 -0.514 1
1 754 . 5 1 1 A 60 60 ILE CB C 63 39.700 41.120 -1.420 1
1 767 . 5 1 1 A 60 60 ILE C C 63 175.400 175.225 0.175 1
1 768 . 5 1 1 A 61 61 ILE N N 64 130.300 127.073 3.227 1
1 769 . 5 1 1 A 61 61 ILE H H 64 9.550 9.386 0.164 1
1 770 . 5 1 1 A 61 61 ILE CA C 64 58.300 60.500 -2.200 1
1 771 . 5 1 1 A 61 61 ILE HA H 64 5.230 4.798 0.432 1
1 772 . 5 1 1 A 61 61 ILE CB C 64 38.700 40.285 -1.585 1
1 785 . 5 1 1 A 61 61 ILE C C 64 174.400 174.148 0.252 1
1 786 . 5 1 1 A 62 62 GLU N N 65 126.800 128.832 -2.032 1
1 787 . 5 1 1 A 62 62 GLU H H 65 9.340 9.375 -0.035 1
1 788 . 5 1 1 A 62 62 GLU CA C 65 54.500 54.880 -0.380 1
1 789 . 5 1 1 A 62 62 GLU HA H 65 5.080 4.974 0.106 1
1 790 . 5 1 1 A 62 62 GLU CB C 65 33.300 31.184 2.116 1
1 796 . 5 1 1 A 62 62 GLU C C 65 174.300 175.340 -1.040 1
1 797 . 5 1 1 A 63 63 VAL N N 66 124.300 126.271 -1.971 1
1 798 . 5 1 1 A 63 63 VAL H H 66 8.710 8.908 -0.198 1
1 799 . 5 1 1 A 63 63 VAL CA C 66 61.900 61.694 0.206 1
1 800 . 5 1 1 A 63 63 VAL HA H 66 4.420 4.722 -0.302 1
1 801 . 5 1 1 A 63 63 VAL CB C 66 32.600 32.880 -0.280 1
1 811 . 5 1 1 A 63 63 VAL C C 66 175.300 174.688 0.612 1
1 812 . 5 1 1 A 64 64 ILE N N 67 131.200 128.803 2.397 1
1 813 . 5 1 1 A 64 64 ILE H H 67 9.180 9.076 0.104 1
1 814 . 5 1 1 A 64 64 ILE CA C 67 60.200 59.787 0.413 1
1 815 . 5 1 1 A 64 64 ILE HA H 67 4.360 4.680 -0.320 1
1 816 . 5 1 1 A 64 64 ILE CB C 67 40.400 41.282 -0.882 1
1 829 . 5 1 1 A 64 64 ILE C C 67 175.300 175.699 -0.399 1
1 830 . 5 1 1 A 65 65 ARG N N 68 126.900 126.253 0.647 1
1 831 . 5 1 1 A 65 65 ARG H H 68 9.020 8.394 0.626 1
1 832 . 5 1 1 A 65 65 ARG CA C 68 57.200 56.796 0.404 1
1 833 . 5 1 1 A 65 65 ARG HA H 68 4.480 4.348 0.132 1
1 834 . 5 1 1 A 65 65 ARG CB C 68 30.500 30.778 -0.278 1
1 843 . 5 1 1 A 65 65 ARG C C 68 176.800 176.293 0.507 1
1 844 . 5 1 1 A 66 66 VAL N N 69 122.300 122.439 -0.139 1
1 845 . 5 1 1 A 66 66 VAL H H 69 8.280 8.400 -0.120 1
1 846 . 5 1 1 A 66 66 VAL CA C 69 62.200 62.473 -0.273 1
1 847 . 5 1 1 A 66 66 VAL HA H 69 4.100 4.403 -0.303 1
1 848 . 5 1 1 A 66 66 VAL CB C 69 32.800 32.946 -0.146 1
1 858 . 5 1 1 A 66 66 VAL C C 69 175.500 175.092 0.408 1
1 859 . 5 1 1 A 67 67 ILE N N 70 124.000 128.461 -4.461 1
1 860 . 5 1 1 A 67 67 ILE H H 70 7.930 8.724 -0.794 1
1 861 . 5 1 1 A 67 67 ILE CA C 70 60.300 59.610 0.690 1
1 862 . 5 1 1 A 67 67 ILE HA H 70 4.210 4.670 -0.460 1
1 863 . 5 1 1 A 67 67 ILE CB C 70 38.900 40.035 -1.135 1
1 876 . 5 1 1 A 67 67 ILE C C 70 175.500 174.633 0.867 1
1 877 . 5 1 1 A 68 68 TYR N N 71 126.200 126.467 -0.267 1
1 878 . 5 1 1 A 68 68 TYR H H 71 8.450 8.557 -0.107 1
1 879 . 5 1 1 A 68 68 TYR CA C 71 57.900 54.805 3.095 1
1 880 . 5 1 1 A 68 68 TYR HA H 71 4.590 5.876 -1.286 1
1 881 . 5 1 1 A 68 68 TYR CB C 71 39.000 41.867 -2.867 1
1 886 . 5 1 1 A 68 68 TYR C C 71 176.200 173.531 2.669 1
1 887 . 5 1 1 A 69 69 GLY N N 72 112.000 107.960 4.040 1
1 888 . 5 1 1 A 69 69 GLY H H 72 8.370 8.760 -0.390 1
1 889 . 5 1 1 A 69 69 GLY CA C 72 45.300 45.747 -0.447 1
1 890 . 5 1 1 A 69 69 GLY HA2 H 72 3.910 4.007 -0.097 1
1 891 . 5 1 1 A 69 69 GLY HA3 H 72 3.910 4.041 -0.131 1
1 892 . 5 1 1 A 69 69 GLY C C 72 173.500 173.828 -0.328 1
1 10 . 6 1 1 A 2 2 VAL N N 5 122.400 127.259 -4.859 1
1 11 . 6 1 1 A 2 2 VAL H H 5 8.290 8.707 -0.417 1
1 12 . 6 1 1 A 2 2 VAL CA C 5 62.400 61.196 1.204 1
1 13 . 6 1 1 A 2 2 VAL HA H 5 4.120 4.645 -0.525 1
1 14 . 6 1 1 A 2 2 VAL CB C 5 32.600 33.510 -0.910 1
1 24 . 6 1 1 A 2 2 VAL C C 5 175.700 174.230 1.470 1
1 25 . 6 1 1 A 3 3 ILE N N 6 125.000 129.124 -4.124 1
1 26 . 6 1 1 A 3 3 ILE H H 6 8.240 8.778 -0.538 1
1 27 . 6 1 1 A 3 3 ILE CA C 6 60.900 59.938 0.962 1
1 28 . 6 1 1 A 3 3 ILE HA H 6 4.210 4.646 -0.436 1
1 29 . 6 1 1 A 3 3 ILE CB C 6 38.700 40.155 -1.455 1
1 42 . 6 1 1 A 3 3 ILE C C 6 176.000 176.268 -0.268 1
1 43 . 6 1 1 A 4 4 GLY N N 7 112.900 115.980 -3.080 1
1 44 . 6 1 1 A 4 4 GLY H H 7 8.330 8.700 -0.370 1
1 45 . 6 1 1 A 4 4 GLY CA C 7 45.300 46.692 -1.392 1
1 46 . 6 1 1 A 4 4 GLY HA2 H 7 4.140 4.025 0.115 1
1 47 . 6 1 1 A 4 4 GLY HA3 H 7 4.020 4.029 -0.009 1
1 48 . 6 1 1 A 4 4 GLY C C 7 172.800 174.483 -1.683 1
1 49 . 6 1 1 A 5 5 MET N N 8 118.400 116.438 1.962 1
1 50 . 6 1 1 A 5 5 MET H H 8 8.540 7.913 0.627 1
1 51 . 6 1 1 A 5 5 MET CA C 8 54.800 54.898 -0.098 1
1 52 . 6 1 1 A 5 5 MET HA H 8 4.820 5.029 -0.209 1
1 53 . 6 1 1 A 5 5 MET CB C 8 35.500 34.361 1.139 1
1 63 . 6 1 1 A 5 5 MET C C 8 174.100 175.804 -1.704 1
1 64 . 6 1 1 A 6 6 LYS N N 9 122.000 119.152 2.848 1
1 65 . 6 1 1 A 6 6 LYS H H 9 9.150 9.265 -0.115 1
1 66 . 6 1 1 A 6 6 LYS CA C 9 55.100 54.566 0.534 1
1 67 . 6 1 1 A 6 6 LYS HA H 9 5.430 5.306 0.124 1
1 68 . 6 1 1 A 6 6 LYS CB C 9 36.100 35.671 0.429 1
1 80 . 6 1 1 A 6 6 LYS C C 9 174.500 175.301 -0.801 1
1 81 . 6 1 1 A 7 7 PHE N N 10 119.300 118.214 1.086 1
1 82 . 6 1 1 A 7 7 PHE H H 10 8.670 8.932 -0.262 1
1 83 . 6 1 1 A 7 7 PHE CA C 10 55.700 55.013 0.687 1
1 84 . 6 1 1 A 7 7 PHE HA H 10 5.190 5.779 -0.589 1
1 85 . 6 1 1 A 7 7 PHE CB C 10 40.100 42.581 -2.481 1
1 92 . 6 1 1 A 7 7 PHE C C 10 172.400 172.990 -0.590 1
1 93 . 6 1 1 A 8 8 THR N N 11 116.500 116.231 0.269 1
1 94 . 6 1 1 A 8 8 THR H H 11 8.440 8.977 -0.537 1
1 95 . 6 1 1 A 8 8 THR CA C 11 62.200 61.789 0.411 1
1 96 . 6 1 1 A 8 8 THR HA H 11 5.070 4.904 0.166 1
1 97 . 6 1 1 A 8 8 THR CB C 11 70.800 69.749 1.051 1
1 103 . 6 1 1 A 8 8 THR C C 11 173.300 172.880 0.420 1
1 104 . 6 1 1 A 9 9 VAL N N 12 126.200 127.263 -1.063 1
1 105 . 6 1 1 A 9 9 VAL H H 12 9.400 9.407 -0.007 1
1 106 . 6 1 1 A 9 9 VAL CA C 12 60.700 59.864 0.836 1
1 107 . 6 1 1 A 9 9 VAL HA H 12 5.090 5.617 -0.527 1
1 108 . 6 1 1 A 9 9 VAL CB C 12 34.100 34.293 -0.193 1
1 118 . 6 1 1 A 9 9 VAL C C 12 174.500 173.886 0.614 1
1 119 . 6 1 1 A 10 10 ILE N N 13 129.600 129.918 -0.318 1
1 120 . 6 1 1 A 10 10 ILE H H 13 9.560 8.780 0.780 1
1 121 . 6 1 1 A 10 10 ILE CA C 13 61.400 60.362 1.038 1
1 122 . 6 1 1 A 10 10 ILE HA H 13 4.640 4.702 -0.062 1
1 123 . 6 1 1 A 10 10 ILE CB C 13 39.700 39.465 0.235 1
1 136 . 6 1 1 A 10 10 ILE C C 13 175.200 174.440 0.760 1
1 137 . 6 1 1 A 11 11 THR N N 14 116.800 124.086 -7.286 1
1 138 . 6 1 1 A 11 11 THR H H 14 8.430 9.017 -0.587 1
1 139 . 6 1 1 A 11 11 THR CA C 14 59.200 60.797 -1.597 1
1 140 . 6 1 1 A 11 11 THR HA H 14 5.160 4.706 0.454 1
1 141 . 6 1 1 A 11 11 THR CB C 14 71.900 71.825 0.075 1
1 147 . 6 1 1 A 11 11 THR C C 14 175.800 174.736 1.064 1
1 148 . 6 1 1 A 12 12 ASP N N 15 120.000 123.732 -3.732 1
1 149 . 6 1 1 A 12 12 ASP H H 15 9.010 8.808 0.202 1
1 150 . 6 1 1 A 12 12 ASP CA C 15 56.900 57.952 -1.052 1
1 151 . 6 1 1 A 12 12 ASP HA H 15 4.440 4.234 0.206 1
1 152 . 6 1 1 A 12 12 ASP CB C 15 40.900 40.840 0.060 1
1 155 . 6 1 1 A 12 12 ASP C C 15 176.600 176.977 -0.377 1
1 156 . 6 1 1 A 13 13 ASP N N 16 115.300 115.156 0.144 1
1 157 . 6 1 1 A 13 13 ASP H H 16 8.090 8.032 0.058 1
1 158 . 6 1 1 A 13 13 ASP CA C 16 53.400 53.453 -0.053 1
1 159 . 6 1 1 A 13 13 ASP HA H 16 4.730 4.538 0.192 1
1 160 . 6 1 1 A 13 13 ASP CB C 16 41.800 40.119 1.681 1
1 163 . 6 1 1 A 13 13 ASP C C 16 175.700 175.715 -0.015 1
1 164 . 6 1 1 A 14 14 GLY N N 17 108.000 107.172 0.828 1
1 165 . 6 1 1 A 14 14 GLY H H 17 7.610 6.979 0.631 1
1 166 . 6 1 1 A 14 14 GLY CA C 17 44.900 44.091 0.809 1
1 167 . 6 1 1 A 14 14 GLY HA2 H 17 4.450 4.107 0.343 1
1 168 . 6 1 1 A 14 14 GLY HA3 H 17 3.860 4.110 -0.250 1
1 169 . 6 1 1 A 14 14 GLY C C 17 171.800 171.901 -0.101 1
1 170 . 6 1 1 A 15 15 LYS N N 18 120.600 121.193 -0.593 1
1 171 . 6 1 1 A 15 15 LYS H H 18 8.430 8.394 0.036 1
1 172 . 6 1 1 A 15 15 LYS CA C 18 55.400 55.243 0.157 1
1 173 . 6 1 1 A 15 15 LYS HA H 18 5.080 4.733 0.347 1
1 174 . 6 1 1 A 15 15 LYS CB C 18 34.600 33.869 0.731 1
1 186 . 6 1 1 A 15 15 LYS C C 18 175.600 174.983 0.617 1
1 187 . 6 1 1 A 16 16 LYS N N 19 125.700 128.092 -2.392 1
1 188 . 6 1 1 A 16 16 LYS H H 19 9.160 9.344 -0.184 1
1 189 . 6 1 1 A 16 16 LYS CA C 19 55.000 54.601 0.399 1
1 190 . 6 1 1 A 16 16 LYS HA H 19 4.620 4.929 -0.309 1
1 191 . 6 1 1 A 16 16 LYS CB C 19 36.100 34.452 1.648 1
1 201 . 6 1 1 A 16 16 LYS C C 19 174.000 174.834 -0.834 1
1 202 . 6 1 1 A 17 17 ILE N N 20 123.800 127.882 -4.082 1
1 203 . 6 1 1 A 17 17 ILE H H 20 8.420 8.615 -0.195 1
1 204 . 6 1 1 A 17 17 ILE CA C 20 60.400 60.659 -0.259 1
1 205 . 6 1 1 A 17 17 ILE HA H 20 4.620 4.675 -0.055 1
1 206 . 6 1 1 A 17 17 ILE CB C 20 37.900 39.163 -1.263 1
1 219 . 6 1 1 A 17 17 ILE C C 20 175.700 173.775 1.925 1
1 220 . 6 1 1 A 18 18 LEU N N 21 130.500 131.549 -1.049 1
1 221 . 6 1 1 A 18 18 LEU H H 21 8.600 9.009 -0.409 1
1 222 . 6 1 1 A 18 18 LEU CA C 21 53.500 52.721 0.779 1
1 223 . 6 1 1 A 18 18 LEU HA H 21 4.490 4.912 -0.422 1
1 224 . 6 1 1 A 18 18 LEU CB C 21 44.500 44.376 0.124 1
1 236 . 6 1 1 A 18 18 LEU C C 21 174.000 174.629 -0.629 1
1 237 . 6 1 1 A 19 19 GLU N N 22 116.200 124.844 -8.644 1
1 238 . 6 1 1 A 19 19 GLU H H 22 7.940 8.811 -0.871 1
1 239 . 6 1 1 A 19 19 GLU CA C 22 53.800 54.828 -1.028 1
1 240 . 6 1 1 A 19 19 GLU HA H 22 5.280 5.096 0.184 1
1 241 . 6 1 1 A 19 19 GLU CB C 22 33.400 33.292 0.108 1
1 247 . 6 1 1 A 19 19 GLU C C 22 176.600 174.590 2.010 1
1 248 . 6 1 1 A 20 20 SER N N 23 114.700 121.382 -6.682 1
1 249 . 6 1 1 A 20 20 SER H H 23 8.630 9.238 -0.608 1
1 250 . 6 1 1 A 20 20 SER CA C 23 57.400 56.114 1.286 1
1 251 . 6 1 1 A 20 20 SER HA H 23 4.780 5.062 -0.282 1
1 252 . 6 1 1 A 20 20 SER CB C 23 65.900 65.649 0.251 1
1 255 . 6 1 1 A 20 20 SER C C 23 174.100 175.036 -0.936 1
1 256 . 6 1 1 A 21 21 GLY N N 24 109.400 113.921 -4.521 1
1 257 . 6 1 1 A 21 21 GLY H H 24 8.340 8.744 -0.404 1
1 258 . 6 1 1 A 21 21 GLY CA C 24 45.100 46.650 -1.550 1
1 259 . 6 1 1 A 21 21 GLY HA2 H 24 4.470 3.869 0.601 1
1 260 . 6 1 1 A 21 21 GLY HA3 H 24 3.790 3.873 -0.083 1
1 261 . 6 1 1 A 21 21 GLY C C 24 172.600 173.952 -1.352 1
1 262 . 6 1 1 A 22 22 ALA N N 25 122.500 121.923 0.577 1
1 263 . 6 1 1 A 22 22 ALA H H 25 7.790 7.794 -0.004 1
1 264 . 6 1 1 A 22 22 ALA CA C 25 49.900 49.571 0.329 1
1 265 . 6 1 1 A 22 22 ALA HA H 25 4.780 4.827 -0.047 1
1 269 . 6 1 1 A 22 22 ALA CB C 25 20.600 21.462 -0.862 1
1 271 . 6 1 1 A 23 23 PRO CA C 26 63.700 63.010 0.690 1
1 272 . 6 1 1 A 23 23 PRO HA H 26 4.400 4.499 -0.099 1
1 273 . 6 1 1 A 23 23 PRO CB C 26 31.900 32.075 -0.175 1
1 281 . 6 1 1 A 23 23 PRO C C 26 176.500 175.525 0.975 1
1 282 . 6 1 1 A 24 24 ARG N N 27 120.200 123.432 -3.232 1
1 283 . 6 1 1 A 24 24 ARG H H 27 7.810 8.755 -0.945 1
1 284 . 6 1 1 A 24 24 ARG CA C 27 53.800 54.616 -0.816 1
1 285 . 6 1 1 A 24 24 ARG HA H 27 4.680 4.779 -0.099 1
1 286 . 6 1 1 A 24 24 ARG CB C 27 35.600 34.008 1.592 1
1 295 . 6 1 1 A 24 24 ARG C C 27 174.300 173.897 0.403 1
1 296 . 6 1 1 A 25 25 ARG N N 28 119.300 123.462 -4.162 1
1 297 . 6 1 1 A 25 25 ARG H H 28 8.900 8.631 0.269 1
1 298 . 6 1 1 A 25 25 ARG CA C 28 54.200 55.409 -1.209 1
1 299 . 6 1 1 A 25 25 ARG HA H 28 4.870 4.395 0.475 1
1 300 . 6 1 1 A 25 25 ARG CB C 28 32.200 31.729 0.471 1
1 309 . 6 1 1 A 25 25 ARG C C 28 178.300 177.319 0.981 1
1 310 . 6 1 1 A 26 26 ILE N N 29 123.500 124.794 -1.294 1
1 311 . 6 1 1 A 26 26 ILE H H 29 8.630 9.393 -0.763 1
1 312 . 6 1 1 A 26 26 ILE CA C 29 65.200 64.543 0.657 1
1 313 . 6 1 1 A 26 26 ILE HA H 29 3.410 3.606 -0.196 1
1 314 . 6 1 1 A 26 26 ILE CB C 29 36.500 37.263 -0.763 1
1 327 . 6 1 1 A 26 26 ILE C C 29 178.600 178.053 0.547 1
1 328 . 6 1 1 A 27 27 LYS N N 30 115.100 121.461 -6.361 1
1 329 . 6 1 1 A 27 27 LYS H H 30 8.900 7.616 1.284 1
1 330 . 6 1 1 A 27 27 LYS CA C 30 59.300 58.957 0.343 1
1 331 . 6 1 1 A 27 27 LYS HA H 30 3.900 4.013 -0.113 1
1 332 . 6 1 1 A 27 27 LYS CB C 30 31.700 31.927 -0.227 1
1 344 . 6 1 1 A 27 27 LYS C C 30 178.000 178.568 -0.568 1
1 345 . 6 1 1 A 28 28 ASP N N 31 119.700 118.957 0.743 1
1 346 . 6 1 1 A 28 28 ASP H H 31 7.180 7.636 -0.456 1
1 347 . 6 1 1 A 28 28 ASP CA C 31 56.900 57.026 -0.126 1
1 348 . 6 1 1 A 28 28 ASP HA H 31 4.480 4.355 0.125 1
1 349 . 6 1 1 A 28 28 ASP CB C 31 41.300 40.507 0.793 1
1 352 . 6 1 1 A 28 28 ASP C C 31 178.600 178.831 -0.231 1
1 353 . 6 1 1 A 29 29 VAL N N 32 122.100 119.610 2.490 1
1 354 . 6 1 1 A 29 29 VAL H H 32 7.410 7.540 -0.130 1
1 355 . 6 1 1 A 29 29 VAL CA C 32 65.900 66.952 -1.052 1
1 356 . 6 1 1 A 29 29 VAL HA H 32 3.730 3.588 0.142 1
1 357 . 6 1 1 A 29 29 VAL CB C 32 32.000 31.352 0.648 1
1 367 . 6 1 1 A 29 29 VAL C C 32 177.600 178.175 -0.575 1
1 368 . 6 1 1 A 30 30 LEU N N 33 118.000 120.871 -2.871 1
1 369 . 6 1 1 A 30 30 LEU H H 33 8.380 8.699 -0.319 1
1 370 . 6 1 1 A 30 30 LEU CA C 33 58.500 57.881 0.619 1
1 371 . 6 1 1 A 30 30 LEU HA H 33 3.910 3.963 -0.053 1
1 372 . 6 1 1 A 30 30 LEU CB C 33 39.200 41.919 -2.719 1
1 385 . 6 1 1 A 30 30 LEU C C 33 179.200 179.018 0.182 1
1 386 . 6 1 1 A 31 31 GLY N N 34 104.500 106.015 -1.515 1
1 387 . 6 1 1 A 31 31 GLY H H 34 7.730 8.238 -0.508 1
1 388 . 6 1 1 A 31 31 GLY CA C 34 47.100 47.234 -0.134 1
1 389 . 6 1 1 A 31 31 GLY HA2 H 34 3.940 3.769 0.171 1
1 390 . 6 1 1 A 31 31 GLY HA3 H 34 3.940 3.771 0.169 1
1 391 . 6 1 1 A 31 31 GLY C C 34 177.500 175.816 1.684 1
1 392 . 6 1 1 A 32 32 GLU N N 35 124.300 121.641 2.659 1
1 393 . 6 1 1 A 32 32 GLU H H 35 7.750 8.046 -0.296 1
1 394 . 6 1 1 A 32 32 GLU CA C 35 59.100 59.236 -0.136 1
1 395 . 6 1 1 A 32 32 GLU HA H 35 4.130 4.055 0.075 1
1 396 . 6 1 1 A 32 32 GLU CB C 35 29.800 29.640 0.160 1
1 402 . 6 1 1 A 32 32 GLU C C 35 178.300 178.209 0.091 1
1 403 . 6 1 1 A 33 33 LEU N N 36 117.300 118.104 -0.804 1
1 404 . 6 1 1 A 33 33 LEU H H 36 7.750 7.673 0.077 1
1 405 . 6 1 1 A 33 33 LEU CA C 36 55.000 54.907 0.093 1
1 406 . 6 1 1 A 33 33 LEU HA H 36 4.270 4.275 -0.005 1
1 407 . 6 1 1 A 33 33 LEU CB C 36 42.100 42.554 -0.454 1
1 420 . 6 1 1 A 33 33 LEU C C 36 175.200 176.257 -1.057 1
1 421 . 6 1 1 A 34 34 GLU N N 37 115.500 119.013 -3.513 1
1 422 . 6 1 1 A 34 34 GLU H H 37 7.780 7.828 -0.048 1
1 423 . 6 1 1 A 34 34 GLU CA C 37 57.200 57.300 -0.100 1
1 424 . 6 1 1 A 34 34 GLU HA H 37 3.830 4.000 -0.170 1
1 425 . 6 1 1 A 34 34 GLU CB C 37 26.700 28.160 -1.460 1
1 431 . 6 1 1 A 34 34 GLU C C 37 175.300 175.139 0.161 1
1 432 . 6 1 1 A 35 35 ILE N N 38 121.300 120.239 1.061 1
1 433 . 6 1 1 A 35 35 ILE H H 38 8.010 7.655 0.355 1
1 434 . 6 1 1 A 35 35 ILE CA C 38 58.300 57.357 0.943 1
1 435 . 6 1 1 A 35 35 ILE HA H 38 4.410 4.557 -0.147 1
1 436 . 6 1 1 A 35 35 ILE CB C 38 40.300 41.127 -0.827 1
1 450 . 6 1 1 A 36 36 PRO CA C 39 62.400 62.789 -0.389 1
1 451 . 6 1 1 A 36 36 PRO HA H 39 4.470 4.614 -0.144 1
1 452 . 6 1 1 A 36 36 PRO CB C 39 31.600 31.555 0.045 1
1 460 . 6 1 1 A 36 36 PRO C C 39 179.200 177.433 1.767 1
1 461 . 6 1 1 A 37 37 ILE N N 40 127.500 125.789 1.711 1
1 462 . 6 1 1 A 37 37 ILE H H 40 8.350 8.904 -0.554 1
1 463 . 6 1 1 A 37 37 ILE CA C 40 63.700 63.238 0.462 1
1 464 . 6 1 1 A 37 37 ILE HA H 40 3.750 4.077 -0.327 1
1 465 . 6 1 1 A 37 37 ILE CB C 40 38.600 38.281 0.319 1
1 478 . 6 1 1 A 37 37 ILE C C 40 176.100 177.313 -1.213 1
1 479 . 6 1 1 A 38 38 GLU N N 41 118.500 121.359 -2.859 1
1 480 . 6 1 1 A 38 38 GLU H H 41 9.370 7.911 1.459 1
1 481 . 6 1 1 A 38 38 GLU CA C 41 58.400 58.992 -0.592 1
1 482 . 6 1 1 A 38 38 GLU HA H 41 4.330 4.092 0.238 1
1 483 . 6 1 1 A 38 38 GLU CB C 41 28.500 29.580 -1.080 1
1 489 . 6 1 1 A 38 38 GLU C C 41 177.600 177.979 -0.379 1
1 490 . 6 1 1 A 39 39 THR N N 42 107.400 112.729 -5.329 1
1 491 . 6 1 1 A 39 39 THR H H 42 7.810 7.880 -0.070 1
1 492 . 6 1 1 A 39 39 THR CA C 42 61.600 62.601 -1.001 1
1 493 . 6 1 1 A 39 39 THR HA H 42 4.520 4.427 0.093 1
1 494 . 6 1 1 A 39 39 THR CB C 42 70.300 70.209 0.091 1
1 500 . 6 1 1 A 39 39 THR C C 42 174.000 174.266 -0.266 1
1 501 . 6 1 1 A 40 40 VAL N N 43 112.000 117.615 -5.615 1
1 502 . 6 1 1 A 40 40 VAL H H 43 7.230 7.330 -0.100 1
1 503 . 6 1 1 A 40 40 VAL CA C 43 59.100 58.719 0.381 1
1 504 . 6 1 1 A 40 40 VAL HA H 43 5.420 4.891 0.529 1
1 505 . 6 1 1 A 40 40 VAL CB C 43 36.400 34.963 1.437 1
1 515 . 6 1 1 A 40 40 VAL C C 43 175.200 174.172 1.028 1
1 516 . 6 1 1 A 41 41 VAL N N 44 120.400 123.196 -2.796 1
1 517 . 6 1 1 A 41 41 VAL H H 44 9.080 8.751 0.329 1
1 518 . 6 1 1 A 41 41 VAL CA C 44 61.500 62.150 -0.650 1
1 519 . 6 1 1 A 41 41 VAL HA H 44 4.230 4.558 -0.328 1
1 520 . 6 1 1 A 41 41 VAL CB C 44 34.600 32.138 2.462 1
1 530 . 6 1 1 A 41 41 VAL C C 44 174.000 175.363 -1.363 1
1 531 . 6 1 1 A 42 42 VAL N N 45 123.400 128.829 -5.429 1
1 532 . 6 1 1 A 42 42 VAL H H 45 8.820 9.197 -0.377 1
1 533 . 6 1 1 A 42 42 VAL CA C 45 60.000 61.223 -1.223 1
1 534 . 6 1 1 A 42 42 VAL HA H 45 5.120 4.696 0.424 1
1 535 . 6 1 1 A 42 42 VAL CB C 45 34.300 32.980 1.320 1
1 545 . 6 1 1 A 42 42 VAL C C 45 174.700 175.174 -0.474 1
1 546 . 6 1 1 A 43 43 LYS N N 46 121.700 127.014 -5.314 1
1 547 . 6 1 1 A 43 43 LYS H H 46 8.920 9.008 -0.088 1
1 548 . 6 1 1 A 43 43 LYS CA C 46 53.800 54.821 -1.021 1
1 549 . 6 1 1 A 43 43 LYS HA H 46 5.180 5.489 -0.309 1
1 550 . 6 1 1 A 43 43 LYS CB C 46 36.900 35.408 1.492 1
1 562 . 6 1 1 A 43 43 LYS C C 46 175.600 174.607 0.993 1
1 563 . 6 1 1 A 44 44 LYS N N 47 122.300 124.842 -2.542 1
1 564 . 6 1 1 A 44 44 LYS H H 47 9.240 8.892 0.348 1
1 565 . 6 1 1 A 44 44 LYS CA C 47 54.400 55.351 -0.951 1
1 566 . 6 1 1 A 44 44 LYS HA H 47 5.190 4.540 0.650 1
1 567 . 6 1 1 A 44 44 LYS CB C 47 36.100 33.584 2.516 1
1 578 . 6 1 1 A 44 44 LYS C C 47 176.000 176.733 -0.733 1
1 579 . 6 1 1 A 45 45 ASN N N 48 129.600 125.387 4.213 1
1 580 . 6 1 1 A 45 45 ASN H H 48 9.980 9.340 0.640 1
1 581 . 6 1 1 A 45 45 ASN CA C 48 54.300 54.937 -0.637 1
1 582 . 6 1 1 A 45 45 ASN HA H 48 4.490 4.674 -0.184 1
1 583 . 6 1 1 A 45 45 ASN CB C 48 37.200 38.431 -1.231 1
1 589 . 6 1 1 A 45 45 ASN C C 48 175.800 175.541 0.259 1
1 590 . 6 1 1 A 46 46 GLY N N 49 103.200 106.789 -3.589 1
1 591 . 6 1 1 A 46 46 GLY H H 49 9.340 8.483 0.857 1
1 592 . 6 1 1 A 46 46 GLY CA C 49 45.200 45.584 -0.384 1
1 593 . 6 1 1 A 46 46 GLY HA2 H 49 4.300 4.088 0.212 1
1 594 . 6 1 1 A 46 46 GLY HA3 H 49 3.650 4.092 -0.442 1
1 595 . 6 1 1 A 46 46 GLY C C 49 173.600 173.391 0.209 1
1 596 . 6 1 1 A 47 47 GLN N N 50 119.700 118.900 0.800 1
1 597 . 6 1 1 A 47 47 GLN H H 50 7.690 7.649 0.041 1
1 598 . 6 1 1 A 47 47 GLN CA C 50 53.500 53.963 -0.463 1
1 599 . 6 1 1 A 47 47 GLN HA H 50 4.770 4.829 -0.059 1
1 600 . 6 1 1 A 47 47 GLN CB C 50 31.300 31.961 -0.661 1
1 606 . 6 1 1 A 47 47 GLN C C 50 175.000 174.700 0.300 1
1 607 . 6 1 1 A 48 48 ILE N N 51 125.800 123.198 2.602 1
1 608 . 6 1 1 A 48 48 ILE H H 51 8.790 8.502 0.288 1
1 609 . 6 1 1 A 48 48 ILE CA C 51 63.000 61.393 1.607 1
1 610 . 6 1 1 A 48 48 ILE HA H 51 4.380 4.459 -0.079 1
1 611 . 6 1 1 A 48 48 ILE CB C 51 37.400 36.753 0.647 1
1 624 . 6 1 1 A 48 48 ILE C C 51 176.500 175.866 0.634 1
1 625 . 6 1 1 A 49 49 VAL N N 52 121.900 121.145 0.755 1
1 626 . 6 1 1 A 49 49 VAL H H 52 8.290 9.327 -1.037 1
1 627 . 6 1 1 A 49 49 VAL CA C 52 58.900 59.822 -0.922 1
1 628 . 6 1 1 A 49 49 VAL HA H 52 4.860 5.132 -0.272 1
1 629 . 6 1 1 A 49 49 VAL CB C 52 35.700 35.886 -0.186 1
1 639 . 6 1 1 A 50 50 ILE N N 53 114.600 115.862 -1.262 1
1 640 . 6 1 1 A 50 50 ILE H H 53 8.020 8.324 -0.304 1
1 641 . 6 1 1 A 50 50 ILE CA C 53 60.500 58.918 1.582 1
1 642 . 6 1 1 A 50 50 ILE HA H 53 4.610 4.578 0.032 1
1 643 . 6 1 1 A 50 50 ILE CB C 53 39.500 40.536 -1.036 1
1 656 . 6 1 1 A 50 50 ILE C C 53 177.000 175.880 1.120 1
1 657 . 6 1 1 A 51 51 ASP N N 54 118.300 121.213 -2.913 1
1 658 . 6 1 1 A 51 51 ASP H H 54 8.390 9.046 -0.656 1
1 659 . 6 1 1 A 51 51 ASP CA C 54 56.300 55.911 0.389 1
1 660 . 6 1 1 A 51 51 ASP HA H 54 4.010 4.449 -0.439 1
1 661 . 6 1 1 A 51 51 ASP CB C 54 40.200 39.813 0.387 1
1 664 . 6 1 1 A 51 51 ASP C C 54 176.300 177.338 -1.038 1
1 665 . 6 1 1 A 52 52 GLU N N 55 116.900 118.630 -1.730 1
1 666 . 6 1 1 A 52 52 GLU H H 55 7.100 7.961 -0.861 1
1 667 . 6 1 1 A 52 52 GLU CA C 55 56.000 58.035 -2.035 1
1 668 . 6 1 1 A 52 52 GLU HA H 55 4.200 4.190 0.010 1
1 669 . 6 1 1 A 52 52 GLU CB C 55 30.000 29.650 0.350 1
1 675 . 6 1 1 A 52 52 GLU C C 55 175.700 176.975 -1.275 1
1 676 . 6 1 1 A 53 53 GLU N N 56 120.300 119.570 0.730 1
1 677 . 6 1 1 A 53 53 GLU H H 56 7.570 7.570 0.000 1
1 678 . 6 1 1 A 53 53 GLU CA C 56 57.400 55.452 1.948 1
1 679 . 6 1 1 A 53 53 GLU HA H 56 4.090 4.523 -0.433 1
1 680 . 6 1 1 A 53 53 GLU CB C 56 30.300 30.541 -0.241 1
1 686 . 6 1 1 A 53 53 GLU C C 56 175.400 175.677 -0.277 1
1 687 . 6 1 1 A 54 54 GLU N N 57 123.400 118.696 4.704 1
1 688 . 6 1 1 A 54 54 GLU H H 57 8.430 8.603 -0.173 1
1 689 . 6 1 1 A 54 54 GLU CA C 57 56.500 54.319 2.181 1
1 690 . 6 1 1 A 54 54 GLU HA H 57 4.320 4.730 -0.410 1
1 691 . 6 1 1 A 54 54 GLU CB C 57 32.200 31.338 0.862 1
1 697 . 6 1 1 A 54 54 GLU C C 57 174.300 175.155 -0.855 1
1 698 . 6 1 1 A 55 55 ILE N N 58 122.000 122.112 -0.112 1
1 699 . 6 1 1 A 55 55 ILE H H 58 7.850 8.201 -0.351 1
1 700 . 6 1 1 A 55 55 ILE CA C 58 60.400 59.882 0.518 1
1 701 . 6 1 1 A 55 55 ILE HA H 58 3.770 4.714 -0.944 1
1 702 . 6 1 1 A 55 55 ILE CB C 58 40.100 40.638 -0.538 1
1 715 . 6 1 1 A 55 55 ILE C C 58 172.900 174.651 -1.751 1
1 716 . 6 1 1 A 56 56 PHE N N 59 124.500 123.705 0.795 1
1 717 . 6 1 1 A 56 56 PHE H H 59 8.970 8.962 0.008 1
1 718 . 6 1 1 A 56 56 PHE CA C 59 55.900 56.267 -0.367 1
1 719 . 6 1 1 A 56 56 PHE HA H 59 4.820 4.999 -0.179 1
1 720 . 6 1 1 A 56 56 PHE CB C 59 41.900 43.819 -1.919 1
1 727 . 6 1 1 A 56 56 PHE C C 59 175.100 174.311 0.789 1
1 728 . 6 1 1 A 57 57 ASP N N 60 117.300 122.147 -4.847 1
1 729 . 6 1 1 A 57 57 ASP H H 60 8.320 8.753 -0.433 1
1 730 . 6 1 1 A 57 57 ASP CA C 60 56.400 55.395 1.005 1
1 731 . 6 1 1 A 57 57 ASP HA H 60 4.630 4.548 0.082 1
1 732 . 6 1 1 A 57 57 ASP CB C 60 42.700 41.025 1.675 1
1 735 . 6 1 1 A 57 57 ASP C C 60 177.900 177.398 0.502 1
1 736 . 6 1 1 A 58 58 GLY N N 61 114.600 113.674 0.926 1
1 737 . 6 1 1 A 58 58 GLY H H 61 9.700 9.243 0.457 1
1 738 . 6 1 1 A 58 58 GLY CA C 61 45.100 46.426 -1.326 1
1 739 . 6 1 1 A 58 58 GLY HA2 H 61 4.420 3.890 0.530 1
1 740 . 6 1 1 A 58 58 GLY HA3 H 61 3.770 3.900 -0.130 1
1 741 . 6 1 1 A 58 58 GLY C C 61 174.900 173.529 1.371 1
1 742 . 6 1 1 A 59 59 ASP N N 62 122.200 120.468 1.732 1
1 743 . 6 1 1 A 59 59 ASP H H 62 8.350 8.105 0.245 1
1 744 . 6 1 1 A 59 59 ASP CA C 62 55.900 53.080 2.820 1
1 745 . 6 1 1 A 59 59 ASP HA H 62 4.940 5.033 -0.093 1
1 746 . 6 1 1 A 59 59 ASP CB C 62 42.500 43.052 -0.552 1
1 749 . 6 1 1 A 59 59 ASP C C 62 176.000 175.605 0.395 1
1 750 . 6 1 1 A 60 60 ILE N N 63 119.100 123.205 -4.105 1
1 751 . 6 1 1 A 60 60 ILE H H 63 8.400 8.746 -0.346 1
1 752 . 6 1 1 A 60 60 ILE CA C 63 60.700 60.150 0.550 1
1 753 . 6 1 1 A 60 60 ILE HA H 63 4.690 4.778 -0.088 1
1 754 . 6 1 1 A 60 60 ILE CB C 63 39.700 39.320 0.380 1
1 767 . 6 1 1 A 60 60 ILE C C 63 175.400 174.609 0.791 1
1 768 . 6 1 1 A 61 61 ILE N N 64 130.300 129.200 1.100 1
1 769 . 6 1 1 A 61 61 ILE H H 64 9.550 9.650 -0.100 1
1 770 . 6 1 1 A 61 61 ILE CA C 64 58.300 60.402 -2.102 1
1 771 . 6 1 1 A 61 61 ILE HA H 64 5.230 4.969 0.261 1
1 772 . 6 1 1 A 61 61 ILE CB C 64 38.700 38.350 0.350 1
1 785 . 6 1 1 A 61 61 ILE C C 64 174.400 174.198 0.202 1
1 786 . 6 1 1 A 62 62 GLU N N 65 126.800 128.553 -1.753 1
1 787 . 6 1 1 A 62 62 GLU H H 65 9.340 9.222 0.118 1
1 788 . 6 1 1 A 62 62 GLU CA C 65 54.500 55.315 -0.815 1
1 789 . 6 1 1 A 62 62 GLU HA H 65 5.080 4.774 0.306 1
1 790 . 6 1 1 A 62 62 GLU CB C 65 33.300 30.866 2.434 1
1 796 . 6 1 1 A 62 62 GLU C C 65 174.300 175.287 -0.987 1
1 797 . 6 1 1 A 63 63 VAL N N 66 124.300 126.898 -2.598 1
1 798 . 6 1 1 A 63 63 VAL H H 66 8.710 8.549 0.161 1
1 799 . 6 1 1 A 63 63 VAL CA C 66 61.900 62.030 -0.130 1
1 800 . 6 1 1 A 63 63 VAL HA H 66 4.420 4.691 -0.271 1
1 801 . 6 1 1 A 63 63 VAL CB C 66 32.600 32.026 0.574 1
1 811 . 6 1 1 A 63 63 VAL C C 66 175.300 175.005 0.295 1
1 812 . 6 1 1 A 64 64 ILE N N 67 131.200 128.293 2.907 1
1 813 . 6 1 1 A 64 64 ILE H H 67 9.180 9.546 -0.366 1
1 814 . 6 1 1 A 64 64 ILE CA C 67 60.200 60.583 -0.383 1
1 815 . 6 1 1 A 64 64 ILE HA H 67 4.360 4.632 -0.272 1
1 816 . 6 1 1 A 64 64 ILE CB C 67 40.400 37.785 2.615 1
1 829 . 6 1 1 A 64 64 ILE C C 67 175.300 176.010 -0.710 1
1 830 . 6 1 1 A 65 65 ARG N N 68 126.900 127.997 -1.097 1
1 831 . 6 1 1 A 65 65 ARG H H 68 9.020 8.499 0.521 1
1 832 . 6 1 1 A 65 65 ARG CA C 68 57.200 56.223 0.977 1
1 833 . 6 1 1 A 65 65 ARG HA H 68 4.480 4.177 0.303 1
1 834 . 6 1 1 A 65 65 ARG CB C 68 30.500 30.367 0.133 1
1 843 . 6 1 1 A 65 65 ARG C C 68 176.800 175.445 1.355 1
1 844 . 6 1 1 A 66 66 VAL N N 69 122.300 123.464 -1.164 1
1 845 . 6 1 1 A 66 66 VAL H H 69 8.280 8.362 -0.082 1
1 846 . 6 1 1 A 66 66 VAL CA C 69 62.200 61.843 0.357 1
1 847 . 6 1 1 A 66 66 VAL HA H 69 4.100 4.580 -0.480 1
1 848 . 6 1 1 A 66 66 VAL CB C 69 32.800 32.497 0.303 1
1 858 . 6 1 1 A 66 66 VAL C C 69 175.500 174.938 0.562 1
1 859 . 6 1 1 A 67 67 ILE N N 70 124.000 130.315 -6.315 1
1 860 . 6 1 1 A 67 67 ILE H H 70 7.930 8.853 -0.923 1
1 861 . 6 1 1 A 67 67 ILE CA C 70 60.300 60.142 0.158 1
1 862 . 6 1 1 A 67 67 ILE HA H 70 4.210 4.642 -0.432 1
1 863 . 6 1 1 A 67 67 ILE CB C 70 38.900 39.355 -0.455 1
1 876 . 6 1 1 A 67 67 ILE C C 70 175.500 174.344 1.156 1
1 877 . 6 1 1 A 68 68 TYR N N 71 126.200 131.599 -5.399 1
1 878 . 6 1 1 A 68 68 TYR H H 71 8.450 9.128 -0.678 1
1 879 . 6 1 1 A 68 68 TYR CA C 71 57.900 56.710 1.190 1
1 880 . 6 1 1 A 68 68 TYR HA H 71 4.590 4.938 -0.348 1
1 881 . 6 1 1 A 68 68 TYR CB C 71 39.000 39.235 -0.235 1
1 886 . 6 1 1 A 68 68 TYR C C 71 176.200 174.404 1.796 1
1 887 . 6 1 1 A 69 69 GLY N N 72 112.000 113.562 -1.562 1
1 888 . 6 1 1 A 69 69 GLY H H 72 8.370 8.763 -0.393 1
1 889 . 6 1 1 A 69 69 GLY CA C 72 45.300 44.571 0.729 1
1 890 . 6 1 1 A 69 69 GLY HA2 H 72 3.910 4.121 -0.211 1
1 891 . 6 1 1 A 69 69 GLY HA3 H 72 3.910 4.133 -0.223 1
1 892 . 6 1 1 A 69 69 GLY C C 72 173.500 172.629 0.871 1
1 10 . 7 1 1 A 2 2 VAL N N 5 122.400 125.943 -3.543 1
1 11 . 7 1 1 A 2 2 VAL H H 5 8.290 9.254 -0.964 1
1 12 . 7 1 1 A 2 2 VAL CA C 5 62.400 61.699 0.701 1
1 13 . 7 1 1 A 2 2 VAL HA H 5 4.120 4.635 -0.515 1
1 14 . 7 1 1 A 2 2 VAL CB C 5 32.600 32.594 0.006 1
1 24 . 7 1 1 A 2 2 VAL C C 5 175.700 174.893 0.807 1
1 25 . 7 1 1 A 3 3 ILE N N 6 125.000 123.277 1.723 1
1 26 . 7 1 1 A 3 3 ILE H H 6 8.240 8.584 -0.344 1
1 27 . 7 1 1 A 3 3 ILE CA C 6 60.900 59.255 1.645 1
1 28 . 7 1 1 A 3 3 ILE HA H 6 4.210 4.985 -0.775 1
1 29 . 7 1 1 A 3 3 ILE CB C 6 38.700 39.900 -1.200 1
1 42 . 7 1 1 A 3 3 ILE C C 6 176.000 175.708 0.292 1
1 43 . 7 1 1 A 4 4 GLY N N 7 112.900 112.887 0.013 1
1 44 . 7 1 1 A 4 4 GLY H H 7 8.330 8.513 -0.183 1
1 45 . 7 1 1 A 4 4 GLY CA C 7 45.300 45.170 0.130 1
1 46 . 7 1 1 A 4 4 GLY HA2 H 7 4.140 4.184 -0.044 1
1 47 . 7 1 1 A 4 4 GLY HA3 H 7 4.020 4.190 -0.170 1
1 48 . 7 1 1 A 4 4 GLY C C 7 172.800 173.327 -0.527 1
1 49 . 7 1 1 A 5 5 MET N N 8 118.400 120.326 -1.926 1
1 50 . 7 1 1 A 5 5 MET H H 8 8.540 8.544 -0.004 1
1 51 . 7 1 1 A 5 5 MET CA C 8 54.800 53.346 1.454 1
1 52 . 7 1 1 A 5 5 MET HA H 8 4.820 5.612 -0.792 1
1 53 . 7 1 1 A 5 5 MET CB C 8 35.500 35.192 0.308 1
1 63 . 7 1 1 A 5 5 MET C C 8 174.100 175.824 -1.724 1
1 64 . 7 1 1 A 6 6 LYS N N 9 122.000 121.059 0.941 1
1 65 . 7 1 1 A 6 6 LYS H H 9 9.150 9.344 -0.194 1
1 66 . 7 1 1 A 6 6 LYS CA C 9 55.100 55.033 0.067 1
1 67 . 7 1 1 A 6 6 LYS HA H 9 5.430 5.178 0.252 1
1 68 . 7 1 1 A 6 6 LYS CB C 9 36.100 35.063 1.037 1
1 80 . 7 1 1 A 6 6 LYS C C 9 174.500 175.819 -1.319 1
1 81 . 7 1 1 A 7 7 PHE N N 10 119.300 116.642 2.658 1
1 82 . 7 1 1 A 7 7 PHE H H 10 8.670 8.871 -0.201 1
1 83 . 7 1 1 A 7 7 PHE CA C 10 55.700 56.315 -0.615 1
1 84 . 7 1 1 A 7 7 PHE HA H 10 5.190 5.165 0.025 1
1 85 . 7 1 1 A 7 7 PHE CB C 10 40.100 41.660 -1.560 1
1 92 . 7 1 1 A 7 7 PHE C C 10 172.400 172.022 0.378 1
1 93 . 7 1 1 A 8 8 THR N N 11 116.500 116.652 -0.152 1
1 94 . 7 1 1 A 8 8 THR H H 11 8.440 8.970 -0.530 1
1 95 . 7 1 1 A 8 8 THR CA C 11 62.200 59.850 2.350 1
1 96 . 7 1 1 A 8 8 THR HA H 11 5.070 5.232 -0.162 1
1 97 . 7 1 1 A 8 8 THR CB C 11 70.800 71.571 -0.771 1
1 103 . 7 1 1 A 8 8 THR C C 11 173.300 172.534 0.766 1
1 104 . 7 1 1 A 9 9 VAL N N 12 126.200 126.005 0.195 1
1 105 . 7 1 1 A 9 9 VAL H H 12 9.400 9.121 0.279 1
1 106 . 7 1 1 A 9 9 VAL CA C 12 60.700 59.704 0.996 1
1 107 . 7 1 1 A 9 9 VAL HA H 12 5.090 6.007 -0.917 1
1 108 . 7 1 1 A 9 9 VAL CB C 12 34.100 34.859 -0.759 1
1 118 . 7 1 1 A 9 9 VAL C C 12 174.500 173.111 1.389 1
1 119 . 7 1 1 A 10 10 ILE N N 13 129.600 129.094 0.506 1
1 120 . 7 1 1 A 10 10 ILE H H 13 9.560 8.401 1.159 1
1 121 . 7 1 1 A 10 10 ILE CA C 13 61.400 60.264 1.136 1
1 122 . 7 1 1 A 10 10 ILE HA H 13 4.640 4.703 -0.063 1
1 123 . 7 1 1 A 10 10 ILE CB C 13 39.700 39.846 -0.146 1
1 136 . 7 1 1 A 10 10 ILE C C 13 175.200 174.148 1.052 1
1 137 . 7 1 1 A 11 11 THR N N 14 116.800 125.044 -8.244 1
1 138 . 7 1 1 A 11 11 THR H H 14 8.430 9.184 -0.754 1
1 139 . 7 1 1 A 11 11 THR CA C 14 59.200 60.370 -1.170 1
1 140 . 7 1 1 A 11 11 THR HA H 14 5.160 4.715 0.445 1
1 141 . 7 1 1 A 11 11 THR CB C 14 71.900 71.399 0.501 1
1 147 . 7 1 1 A 11 11 THR C C 14 175.800 175.490 0.310 1
1 148 . 7 1 1 A 12 12 ASP N N 15 120.000 123.947 -3.947 1
1 149 . 7 1 1 A 12 12 ASP H H 15 9.010 9.119 -0.109 1
1 150 . 7 1 1 A 12 12 ASP CA C 15 56.900 57.599 -0.699 1
1 151 . 7 1 1 A 12 12 ASP HA H 15 4.440 4.260 0.180 1
1 152 . 7 1 1 A 12 12 ASP CB C 15 40.900 40.532 0.368 1
1 155 . 7 1 1 A 12 12 ASP C C 15 176.600 177.019 -0.419 1
1 156 . 7 1 1 A 13 13 ASP N N 16 115.300 117.162 -1.862 1
1 157 . 7 1 1 A 13 13 ASP H H 16 8.090 7.839 0.251 1
1 158 . 7 1 1 A 13 13 ASP CA C 16 53.400 54.206 -0.806 1
1 159 . 7 1 1 A 13 13 ASP HA H 16 4.730 4.662 0.068 1
1 160 . 7 1 1 A 13 13 ASP CB C 16 41.800 41.123 0.677 1
1 163 . 7 1 1 A 13 13 ASP C C 16 175.700 176.366 -0.666 1
1 164 . 7 1 1 A 14 14 GLY N N 17 108.000 106.632 1.368 1
1 165 . 7 1 1 A 14 14 GLY H H 17 7.610 7.312 0.298 1
1 166 . 7 1 1 A 14 14 GLY CA C 17 44.900 44.077 0.823 1
1 167 . 7 1 1 A 14 14 GLY HA2 H 17 4.450 4.070 0.380 1
1 168 . 7 1 1 A 14 14 GLY HA3 H 17 3.860 4.073 -0.213 1
1 169 . 7 1 1 A 14 14 GLY C C 17 171.800 171.805 -0.005 1
1 170 . 7 1 1 A 15 15 LYS N N 18 120.600 121.087 -0.487 1
1 171 . 7 1 1 A 15 15 LYS H H 18 8.430 8.421 0.009 1
1 172 . 7 1 1 A 15 15 LYS CA C 18 55.400 55.222 0.178 1
1 173 . 7 1 1 A 15 15 LYS HA H 18 5.080 4.906 0.174 1
1 174 . 7 1 1 A 15 15 LYS CB C 18 34.600 34.019 0.581 1
1 186 . 7 1 1 A 15 15 LYS C C 18 175.600 175.329 0.271 1
1 187 . 7 1 1 A 16 16 LYS N N 19 125.700 126.266 -0.566 1
1 188 . 7 1 1 A 16 16 LYS H H 19 9.160 8.879 0.281 1
1 189 . 7 1 1 A 16 16 LYS CA C 19 55.000 54.454 0.546 1
1 190 . 7 1 1 A 16 16 LYS HA H 19 4.620 5.154 -0.534 1
1 191 . 7 1 1 A 16 16 LYS CB C 19 36.100 36.188 -0.088 1
1 201 . 7 1 1 A 16 16 LYS C C 19 174.000 174.571 -0.571 1
1 202 . 7 1 1 A 17 17 ILE N N 20 123.800 124.100 -0.300 1
1 203 . 7 1 1 A 17 17 ILE H H 20 8.420 8.925 -0.505 1
1 204 . 7 1 1 A 17 17 ILE CA C 20 60.400 59.727 0.673 1
1 205 . 7 1 1 A 17 17 ILE HA H 20 4.620 4.950 -0.330 1
1 206 . 7 1 1 A 17 17 ILE CB C 20 37.900 40.785 -2.885 1
1 219 . 7 1 1 A 17 17 ILE C C 20 175.700 174.651 1.049 1
1 220 . 7 1 1 A 18 18 LEU N N 21 130.500 125.092 5.408 1
1 221 . 7 1 1 A 18 18 LEU H H 21 8.600 9.050 -0.450 1
1 222 . 7 1 1 A 18 18 LEU CA C 21 53.500 52.502 0.998 1
1 223 . 7 1 1 A 18 18 LEU HA H 21 4.490 5.208 -0.718 1
1 224 . 7 1 1 A 18 18 LEU CB C 21 44.500 45.908 -1.408 1
1 236 . 7 1 1 A 18 18 LEU C C 21 174.000 174.950 -0.950 1
1 237 . 7 1 1 A 19 19 GLU N N 22 116.200 118.895 -2.695 1
1 238 . 7 1 1 A 19 19 GLU H H 22 7.940 8.426 -0.486 1
1 239 . 7 1 1 A 19 19 GLU CA C 22 53.800 54.613 -0.813 1
1 240 . 7 1 1 A 19 19 GLU HA H 22 5.280 5.083 0.197 1
1 241 . 7 1 1 A 19 19 GLU CB C 22 33.400 32.914 0.486 1
1 247 . 7 1 1 A 19 19 GLU C C 22 176.600 175.475 1.125 1
1 248 . 7 1 1 A 20 20 SER N N 23 114.700 115.799 -1.099 1
1 249 . 7 1 1 A 20 20 SER H H 23 8.630 9.037 -0.407 1
1 250 . 7 1 1 A 20 20 SER CA C 23 57.400 56.086 1.314 1
1 251 . 7 1 1 A 20 20 SER HA H 23 4.780 5.149 -0.369 1
1 252 . 7 1 1 A 20 20 SER CB C 23 65.900 65.925 -0.025 1
1 255 . 7 1 1 A 20 20 SER C C 23 174.100 175.272 -1.172 1
1 256 . 7 1 1 A 21 21 GLY N N 24 109.400 113.554 -4.154 1
1 257 . 7 1 1 A 21 21 GLY H H 24 8.340 8.840 -0.500 1
1 258 . 7 1 1 A 21 21 GLY CA C 24 45.100 47.570 -2.470 1
1 259 . 7 1 1 A 21 21 GLY HA2 H 24 4.470 3.862 0.608 1
1 260 . 7 1 1 A 21 21 GLY HA3 H 24 3.790 3.868 -0.078 1
1 261 . 7 1 1 A 21 21 GLY C C 24 172.600 174.081 -1.481 1
1 262 . 7 1 1 A 22 22 ALA N N 25 122.500 122.616 -0.116 1
1 263 . 7 1 1 A 22 22 ALA H H 25 7.790 7.766 0.024 1
1 264 . 7 1 1 A 22 22 ALA CA C 25 49.900 49.404 0.496 1
1 265 . 7 1 1 A 22 22 ALA HA H 25 4.780 4.680 0.100 1
1 269 . 7 1 1 A 22 22 ALA CB C 25 20.600 20.497 0.103 1
1 271 . 7 1 1 A 23 23 PRO CA C 26 63.700 63.278 0.422 1
1 272 . 7 1 1 A 23 23 PRO HA H 26 4.400 4.672 -0.272 1
1 273 . 7 1 1 A 23 23 PRO CB C 26 31.900 31.737 0.163 1
1 281 . 7 1 1 A 23 23 PRO C C 26 176.500 176.119 0.381 1
1 282 . 7 1 1 A 24 24 ARG N N 27 120.200 123.762 -3.562 1
1 283 . 7 1 1 A 24 24 ARG H H 27 7.810 7.930 -0.120 1
1 284 . 7 1 1 A 24 24 ARG CA C 27 53.800 54.421 -0.621 1
1 285 . 7 1 1 A 24 24 ARG HA H 27 4.680 4.748 -0.068 1
1 286 . 7 1 1 A 24 24 ARG CB C 27 35.600 33.404 2.196 1
1 295 . 7 1 1 A 24 24 ARG C C 27 174.300 174.258 0.042 1
1 296 . 7 1 1 A 25 25 ARG N N 28 119.300 121.352 -2.052 1
1 297 . 7 1 1 A 25 25 ARG H H 28 8.900 8.388 0.512 1
1 298 . 7 1 1 A 25 25 ARG CA C 28 54.200 54.061 0.139 1
1 299 . 7 1 1 A 25 25 ARG HA H 28 4.870 4.810 0.060 1
1 300 . 7 1 1 A 25 25 ARG CB C 28 32.200 32.632 -0.432 1
1 309 . 7 1 1 A 25 25 ARG C C 28 178.300 176.742 1.558 1
1 310 . 7 1 1 A 26 26 ILE N N 29 123.500 124.999 -1.499 1
1 311 . 7 1 1 A 26 26 ILE H H 29 8.630 9.108 -0.478 1
1 312 . 7 1 1 A 26 26 ILE CA C 29 65.200 65.409 -0.209 1
1 313 . 7 1 1 A 26 26 ILE HA H 29 3.410 3.631 -0.221 1
1 314 . 7 1 1 A 26 26 ILE CB C 29 36.500 37.711 -1.211 1
1 327 . 7 1 1 A 26 26 ILE C C 29 178.600 177.948 0.652 1
1 328 . 7 1 1 A 27 27 LYS N N 30 115.100 120.502 -5.402 1
1 329 . 7 1 1 A 27 27 LYS H H 30 8.900 8.333 0.567 1
1 330 . 7 1 1 A 27 27 LYS CA C 30 59.300 59.072 0.228 1
1 331 . 7 1 1 A 27 27 LYS HA H 30 3.900 3.889 0.011 1
1 332 . 7 1 1 A 27 27 LYS CB C 30 31.700 32.183 -0.483 1
1 344 . 7 1 1 A 27 27 LYS C C 30 178.000 178.037 -0.037 1
1 345 . 7 1 1 A 28 28 ASP N N 31 119.700 119.622 0.078 1
1 346 . 7 1 1 A 28 28 ASP H H 31 7.180 8.046 -0.866 1
1 347 . 7 1 1 A 28 28 ASP CA C 31 56.900 57.572 -0.672 1
1 348 . 7 1 1 A 28 28 ASP HA H 31 4.480 4.359 0.121 1
1 349 . 7 1 1 A 28 28 ASP CB C 31 41.300 41.397 -0.097 1
1 352 . 7 1 1 A 28 28 ASP C C 31 178.600 178.610 -0.010 1
1 353 . 7 1 1 A 29 29 VAL N N 32 122.100 118.635 3.465 1
1 354 . 7 1 1 A 29 29 VAL H H 32 7.410 7.799 -0.389 1
1 355 . 7 1 1 A 29 29 VAL CA C 32 65.900 66.880 -0.980 1
1 356 . 7 1 1 A 29 29 VAL HA H 32 3.730 3.609 0.121 1
1 357 . 7 1 1 A 29 29 VAL CB C 32 32.000 31.302 0.698 1
1 367 . 7 1 1 A 29 29 VAL C C 32 177.600 178.240 -0.640 1
1 368 . 7 1 1 A 30 30 LEU N N 33 118.000 120.792 -2.792 1
1 369 . 7 1 1 A 30 30 LEU H H 33 8.380 8.632 -0.252 1
1 370 . 7 1 1 A 30 30 LEU CA C 33 58.500 57.791 0.709 1
1 371 . 7 1 1 A 30 30 LEU HA H 33 3.910 3.967 -0.057 1
1 372 . 7 1 1 A 30 30 LEU CB C 33 39.200 41.829 -2.629 1
1 385 . 7 1 1 A 30 30 LEU C C 33 179.200 179.189 0.011 1
1 386 . 7 1 1 A 31 31 GLY N N 34 104.500 105.985 -1.485 1
1 387 . 7 1 1 A 31 31 GLY H H 34 7.730 8.433 -0.703 1
1 388 . 7 1 1 A 31 31 GLY CA C 34 47.100 47.341 -0.241 1
1 389 . 7 1 1 A 31 31 GLY HA2 H 34 3.940 3.729 0.211 1
1 390 . 7 1 1 A 31 31 GLY HA3 H 34 3.940 3.732 0.208 1
1 391 . 7 1 1 A 31 31 GLY C C 34 177.500 175.737 1.763 1
1 392 . 7 1 1 A 32 32 GLU N N 35 124.300 121.857 2.443 1
1 393 . 7 1 1 A 32 32 GLU H H 35 7.750 8.178 -0.428 1
1 394 . 7 1 1 A 32 32 GLU CA C 35 59.100 59.324 -0.224 1
1 395 . 7 1 1 A 32 32 GLU HA H 35 4.130 4.012 0.118 1
1 396 . 7 1 1 A 32 32 GLU CB C 35 29.800 29.535 0.265 1
1 402 . 7 1 1 A 32 32 GLU C C 35 178.300 178.484 -0.184 1
1 403 . 7 1 1 A 33 33 LEU N N 36 117.300 118.080 -0.780 1
1 404 . 7 1 1 A 33 33 LEU H H 36 7.750 7.680 0.070 1
1 405 . 7 1 1 A 33 33 LEU CA C 36 55.000 55.020 -0.020 1
1 406 . 7 1 1 A 33 33 LEU HA H 36 4.270 4.238 0.032 1
1 407 . 7 1 1 A 33 33 LEU CB C 36 42.100 42.354 -0.254 1
1 420 . 7 1 1 A 33 33 LEU C C 36 175.200 175.921 -0.721 1
1 421 . 7 1 1 A 34 34 GLU N N 37 115.500 116.283 -0.783 1
1 422 . 7 1 1 A 34 34 GLU H H 37 7.780 7.581 0.199 1
1 423 . 7 1 1 A 34 34 GLU CA C 37 57.200 57.420 -0.220 1
1 424 . 7 1 1 A 34 34 GLU HA H 37 3.830 3.844 -0.014 1
1 425 . 7 1 1 A 34 34 GLU CB C 37 26.700 27.463 -0.763 1
1 431 . 7 1 1 A 34 34 GLU C C 37 175.300 175.153 0.147 1
1 432 . 7 1 1 A 35 35 ILE N N 38 121.300 120.561 0.739 1
1 433 . 7 1 1 A 35 35 ILE H H 38 8.010 7.752 0.258 1
1 434 . 7 1 1 A 35 35 ILE CA C 38 58.300 57.626 0.674 1
1 435 . 7 1 1 A 35 35 ILE HA H 38 4.410 4.511 -0.101 1
1 436 . 7 1 1 A 35 35 ILE CB C 38 40.300 39.222 1.078 1
1 450 . 7 1 1 A 36 36 PRO CA C 39 62.400 63.171 -0.771 1
1 451 . 7 1 1 A 36 36 PRO HA H 39 4.470 4.565 -0.095 1
1 452 . 7 1 1 A 36 36 PRO CB C 39 31.600 31.780 -0.180 1
1 460 . 7 1 1 A 36 36 PRO C C 39 179.200 177.649 1.551 1
1 461 . 7 1 1 A 37 37 ILE N N 40 127.500 125.671 1.829 1
1 462 . 7 1 1 A 37 37 ILE H H 40 8.350 9.024 -0.674 1
1 463 . 7 1 1 A 37 37 ILE CA C 40 63.700 62.931 0.769 1
1 464 . 7 1 1 A 37 37 ILE HA H 40 3.750 4.159 -0.409 1
1 465 . 7 1 1 A 37 37 ILE CB C 40 38.600 37.979 0.621 1
1 478 . 7 1 1 A 37 37 ILE C C 40 176.100 177.006 -0.906 1
1 479 . 7 1 1 A 38 38 GLU N N 41 118.500 121.833 -3.333 1
1 480 . 7 1 1 A 38 38 GLU H H 41 9.370 7.940 1.430 1
1 481 . 7 1 1 A 38 38 GLU CA C 41 58.400 59.265 -0.865 1
1 482 . 7 1 1 A 38 38 GLU HA H 41 4.330 4.074 0.256 1
1 483 . 7 1 1 A 38 38 GLU CB C 41 28.500 29.665 -1.165 1
1 489 . 7 1 1 A 38 38 GLU C C 41 177.600 177.960 -0.360 1
1 490 . 7 1 1 A 39 39 THR N N 42 107.400 112.329 -4.929 1
1 491 . 7 1 1 A 39 39 THR H H 42 7.810 7.452 0.358 1
1 492 . 7 1 1 A 39 39 THR CA C 42 61.600 62.348 -0.748 1
1 493 . 7 1 1 A 39 39 THR HA H 42 4.520 4.481 0.039 1
1 494 . 7 1 1 A 39 39 THR CB C 42 70.300 69.826 0.474 1
1 500 . 7 1 1 A 39 39 THR C C 42 174.000 174.198 -0.198 1
1 501 . 7 1 1 A 40 40 VAL N N 43 112.000 119.192 -7.192 1
1 502 . 7 1 1 A 40 40 VAL H H 43 7.230 7.446 -0.216 1
1 503 . 7 1 1 A 40 40 VAL CA C 43 59.100 58.752 0.348 1
1 504 . 7 1 1 A 40 40 VAL HA H 43 5.420 4.930 0.490 1
1 505 . 7 1 1 A 40 40 VAL CB C 43 36.400 35.489 0.911 1
1 515 . 7 1 1 A 40 40 VAL C C 43 175.200 174.216 0.984 1
1 516 . 7 1 1 A 41 41 VAL N N 44 120.400 122.089 -1.689 1
1 517 . 7 1 1 A 41 41 VAL H H 44 9.080 9.278 -0.198 1
1 518 . 7 1 1 A 41 41 VAL CA C 44 61.500 60.988 0.512 1
1 519 . 7 1 1 A 41 41 VAL HA H 44 4.230 4.829 -0.599 1
1 520 . 7 1 1 A 41 41 VAL CB C 44 34.600 34.234 0.366 1
1 530 . 7 1 1 A 41 41 VAL C C 44 174.000 174.653 -0.653 1
1 531 . 7 1 1 A 42 42 VAL N N 45 123.400 127.614 -4.214 1
1 532 . 7 1 1 A 42 42 VAL H H 45 8.820 8.936 -0.116 1
1 533 . 7 1 1 A 42 42 VAL CA C 45 60.000 61.266 -1.266 1
1 534 . 7 1 1 A 42 42 VAL HA H 45 5.120 4.688 0.432 1
1 535 . 7 1 1 A 42 42 VAL CB C 45 34.300 32.766 1.534 1
1 545 . 7 1 1 A 42 42 VAL C C 45 174.700 175.353 -0.653 1
1 546 . 7 1 1 A 43 43 LYS N N 46 121.700 126.532 -4.832 1
1 547 . 7 1 1 A 43 43 LYS H H 46 8.920 9.143 -0.223 1
1 548 . 7 1 1 A 43 43 LYS CA C 46 53.800 54.086 -0.286 1
1 549 . 7 1 1 A 43 43 LYS HA H 46 5.180 5.636 -0.456 1
1 550 . 7 1 1 A 43 43 LYS CB C 46 36.900 35.819 1.081 1
1 562 . 7 1 1 A 43 43 LYS C C 46 175.600 175.383 0.217 1
1 563 . 7 1 1 A 44 44 LYS N N 47 122.300 122.707 -0.407 1
1 564 . 7 1 1 A 44 44 LYS H H 47 9.240 9.247 -0.007 1
1 565 . 7 1 1 A 44 44 LYS CA C 47 54.400 54.820 -0.420 1
1 566 . 7 1 1 A 44 44 LYS HA H 47 5.190 5.028 0.162 1
1 567 . 7 1 1 A 44 44 LYS CB C 47 36.100 33.149 2.951 1
1 578 . 7 1 1 A 44 44 LYS C C 47 176.000 176.290 -0.290 1
1 579 . 7 1 1 A 45 45 ASN N N 48 129.600 124.964 4.636 1
1 580 . 7 1 1 A 45 45 ASN H H 48 9.980 9.629 0.351 1
1 581 . 7 1 1 A 45 45 ASN CA C 48 54.300 54.415 -0.115 1
1 582 . 7 1 1 A 45 45 ASN HA H 48 4.490 4.496 -0.006 1
1 583 . 7 1 1 A 45 45 ASN CB C 48 37.200 37.038 0.162 1
1 589 . 7 1 1 A 45 45 ASN C C 48 175.800 175.376 0.424 1
1 590 . 7 1 1 A 46 46 GLY N N 49 103.200 105.184 -1.984 1
1 591 . 7 1 1 A 46 46 GLY H H 49 9.340 8.307 1.033 1
1 592 . 7 1 1 A 46 46 GLY CA C 49 45.200 45.115 0.085 1
1 593 . 7 1 1 A 46 46 GLY HA2 H 49 4.300 4.070 0.230 1
1 594 . 7 1 1 A 46 46 GLY HA3 H 49 3.650 4.071 -0.421 1
1 595 . 7 1 1 A 46 46 GLY C C 49 173.600 174.347 -0.747 1
1 596 . 7 1 1 A 47 47 GLN N N 50 119.700 119.841 -0.141 1
1 597 . 7 1 1 A 47 47 GLN H H 50 7.690 7.911 -0.221 1
1 598 . 7 1 1 A 47 47 GLN CA C 50 53.500 55.853 -2.353 1
1 599 . 7 1 1 A 47 47 GLN HA H 50 4.770 4.410 0.360 1
1 600 . 7 1 1 A 47 47 GLN CB C 50 31.300 29.684 1.616 1
1 606 . 7 1 1 A 47 47 GLN C C 50 175.000 175.656 -0.656 1
1 607 . 7 1 1 A 48 48 ILE N N 51 125.800 124.257 1.543 1
1 608 . 7 1 1 A 48 48 ILE H H 51 8.790 8.426 0.364 1
1 609 . 7 1 1 A 48 48 ILE CA C 51 63.000 61.601 1.399 1
1 610 . 7 1 1 A 48 48 ILE HA H 51 4.380 4.395 -0.015 1
1 611 . 7 1 1 A 48 48 ILE CB C 51 37.400 36.845 0.555 1
1 624 . 7 1 1 A 48 48 ILE C C 51 176.500 175.915 0.585 1
1 625 . 7 1 1 A 49 49 VAL N N 52 121.900 121.167 0.733 1
1 626 . 7 1 1 A 49 49 VAL H H 52 8.290 9.210 -0.920 1
1 627 . 7 1 1 A 49 49 VAL CA C 52 58.900 59.720 -0.820 1
1 628 . 7 1 1 A 49 49 VAL HA H 52 4.860 4.989 -0.129 1
1 629 . 7 1 1 A 49 49 VAL CB C 52 35.700 35.566 0.134 1
1 639 . 7 1 1 A 50 50 ILE N N 53 114.600 117.942 -3.342 1
1 640 . 7 1 1 A 50 50 ILE H H 53 8.020 8.374 -0.354 1
1 641 . 7 1 1 A 50 50 ILE CA C 53 60.500 58.864 1.636 1
1 642 . 7 1 1 A 50 50 ILE HA H 53 4.610 4.501 0.109 1
1 643 . 7 1 1 A 50 50 ILE CB C 53 39.500 39.963 -0.463 1
1 656 . 7 1 1 A 50 50 ILE C C 53 177.000 176.914 0.086 1
1 657 . 7 1 1 A 51 51 ASP N N 54 118.300 121.241 -2.941 1
1 658 . 7 1 1 A 51 51 ASP H H 54 8.390 8.969 -0.579 1
1 659 . 7 1 1 A 51 51 ASP CA C 54 56.300 55.935 0.365 1
1 660 . 7 1 1 A 51 51 ASP HA H 54 4.010 4.488 -0.478 1
1 661 . 7 1 1 A 51 51 ASP CB C 54 40.200 40.261 -0.061 1
1 664 . 7 1 1 A 51 51 ASP C C 54 176.300 177.330 -1.030 1
1 665 . 7 1 1 A 52 52 GLU N N 55 116.900 118.877 -1.977 1
1 666 . 7 1 1 A 52 52 GLU H H 55 7.100 7.945 -0.845 1
1 667 . 7 1 1 A 52 52 GLU CA C 55 56.000 57.815 -1.815 1
1 668 . 7 1 1 A 52 52 GLU HA H 55 4.200 4.230 -0.030 1
1 669 . 7 1 1 A 52 52 GLU CB C 55 30.000 29.685 0.315 1
1 675 . 7 1 1 A 52 52 GLU C C 55 175.700 177.162 -1.462 1
1 676 . 7 1 1 A 53 53 GLU N N 56 120.300 119.817 0.483 1
1 677 . 7 1 1 A 53 53 GLU H H 56 7.570 7.592 -0.022 1
1 678 . 7 1 1 A 53 53 GLU CA C 56 57.400 56.801 0.599 1
1 679 . 7 1 1 A 53 53 GLU HA H 56 4.090 4.367 -0.277 1
1 680 . 7 1 1 A 53 53 GLU CB C 56 30.300 30.024 0.276 1
1 686 . 7 1 1 A 53 53 GLU C C 56 175.400 176.151 -0.751 1
1 687 . 7 1 1 A 54 54 GLU N N 57 123.400 121.704 1.696 1
1 688 . 7 1 1 A 54 54 GLU H H 57 8.430 8.646 -0.216 1
1 689 . 7 1 1 A 54 54 GLU CA C 57 56.500 56.355 0.145 1
1 690 . 7 1 1 A 54 54 GLU HA H 57 4.320 4.254 0.066 1
1 691 . 7 1 1 A 54 54 GLU CB C 57 32.200 30.570 1.630 1
1 697 . 7 1 1 A 54 54 GLU C C 57 174.300 175.467 -1.167 1
1 698 . 7 1 1 A 55 55 ILE N N 58 122.000 120.280 1.720 1
1 699 . 7 1 1 A 55 55 ILE H H 58 7.850 7.890 -0.040 1
1 700 . 7 1 1 A 55 55 ILE CA C 58 60.400 59.623 0.777 1
1 701 . 7 1 1 A 55 55 ILE HA H 58 3.770 4.636 -0.866 1
1 702 . 7 1 1 A 55 55 ILE CB C 58 40.100 39.309 0.791 1
1 715 . 7 1 1 A 55 55 ILE C C 58 172.900 174.340 -1.440 1
1 716 . 7 1 1 A 56 56 PHE N N 59 124.500 125.309 -0.809 1
1 717 . 7 1 1 A 56 56 PHE H H 59 8.970 9.065 -0.095 1
1 718 . 7 1 1 A 56 56 PHE CA C 59 55.900 56.228 -0.328 1
1 719 . 7 1 1 A 56 56 PHE HA H 59 4.820 5.011 -0.191 1
1 720 . 7 1 1 A 56 56 PHE CB C 59 41.900 43.116 -1.216 1
1 727 . 7 1 1 A 56 56 PHE C C 59 175.100 174.495 0.605 1
1 728 . 7 1 1 A 57 57 ASP N N 60 117.300 123.502 -6.202 1
1 729 . 7 1 1 A 57 57 ASP H H 60 8.320 8.825 -0.505 1
1 730 . 7 1 1 A 57 57 ASP CA C 60 56.400 55.932 0.468 1
1 731 . 7 1 1 A 57 57 ASP HA H 60 4.630 4.611 0.019 1
1 732 . 7 1 1 A 57 57 ASP CB C 60 42.700 40.440 2.260 1
1 735 . 7 1 1 A 57 57 ASP C C 60 177.900 177.008 0.892 1
1 736 . 7 1 1 A 58 58 GLY N N 61 114.600 114.471 0.129 1
1 737 . 7 1 1 A 58 58 GLY H H 61 9.700 9.597 0.103 1
1 738 . 7 1 1 A 58 58 GLY CA C 61 45.100 45.033 0.067 1
1 739 . 7 1 1 A 58 58 GLY HA2 H 61 4.420 4.025 0.395 1
1 740 . 7 1 1 A 58 58 GLY HA3 H 61 3.770 4.031 -0.261 1
1 741 . 7 1 1 A 58 58 GLY C C 61 174.900 174.245 0.655 1
1 742 . 7 1 1 A 59 59 ASP N N 62 122.200 121.773 0.427 1
1 743 . 7 1 1 A 59 59 ASP H H 62 8.350 8.056 0.294 1
1 744 . 7 1 1 A 59 59 ASP CA C 62 55.900 54.013 1.887 1
1 745 . 7 1 1 A 59 59 ASP HA H 62 4.940 4.762 0.178 1
1 746 . 7 1 1 A 59 59 ASP CB C 62 42.500 42.347 0.153 1
1 749 . 7 1 1 A 59 59 ASP C C 62 176.000 175.820 0.180 1
1 750 . 7 1 1 A 60 60 ILE N N 63 119.100 125.944 -6.844 1
1 751 . 7 1 1 A 60 60 ILE H H 63 8.400 8.363 0.037 1
1 752 . 7 1 1 A 60 60 ILE CA C 63 60.700 60.225 0.475 1
1 753 . 7 1 1 A 60 60 ILE HA H 63 4.690 4.770 -0.080 1
1 754 . 7 1 1 A 60 60 ILE CB C 63 39.700 39.851 -0.151 1
1 767 . 7 1 1 A 60 60 ILE C C 63 175.400 174.621 0.779 1
1 768 . 7 1 1 A 61 61 ILE N N 64 130.300 129.301 0.999 1
1 769 . 7 1 1 A 61 61 ILE H H 64 9.550 9.394 0.156 1
1 770 . 7 1 1 A 61 61 ILE CA C 64 58.300 60.201 -1.901 1
1 771 . 7 1 1 A 61 61 ILE HA H 64 5.230 5.125 0.105 1
1 772 . 7 1 1 A 61 61 ILE CB C 64 38.700 38.893 -0.193 1
1 785 . 7 1 1 A 61 61 ILE C C 64 174.400 175.167 -0.767 1
1 786 . 7 1 1 A 62 62 GLU N N 65 126.800 126.743 0.057 1
1 787 . 7 1 1 A 62 62 GLU H H 65 9.340 9.503 -0.163 1
1 788 . 7 1 1 A 62 62 GLU CA C 65 54.500 54.750 -0.250 1
1 789 . 7 1 1 A 62 62 GLU HA H 65 5.080 5.074 0.006 1
1 790 . 7 1 1 A 62 62 GLU CB C 65 33.300 31.678 1.622 1
1 796 . 7 1 1 A 62 62 GLU C C 65 174.300 175.644 -1.344 1
1 797 . 7 1 1 A 63 63 VAL N N 66 124.300 125.472 -1.172 1
1 798 . 7 1 1 A 63 63 VAL H H 66 8.710 8.836 -0.126 1
1 799 . 7 1 1 A 63 63 VAL CA C 66 61.900 61.612 0.288 1
1 800 . 7 1 1 A 63 63 VAL HA H 66 4.420 4.849 -0.429 1
1 801 . 7 1 1 A 63 63 VAL CB C 66 32.600 32.795 -0.195 1
1 811 . 7 1 1 A 63 63 VAL C C 66 175.300 174.723 0.577 1
1 812 . 7 1 1 A 64 64 ILE N N 67 131.200 127.984 3.216 1
1 813 . 7 1 1 A 64 64 ILE H H 67 9.180 8.766 0.414 1
1 814 . 7 1 1 A 64 64 ILE CA C 67 60.200 59.930 0.270 1
1 815 . 7 1 1 A 64 64 ILE HA H 67 4.360 4.610 -0.250 1
1 816 . 7 1 1 A 64 64 ILE CB C 67 40.400 41.588 -1.188 1
1 829 . 7 1 1 A 64 64 ILE C C 67 175.300 175.462 -0.162 1
1 830 . 7 1 1 A 65 65 ARG N N 68 126.900 126.361 0.539 1
1 831 . 7 1 1 A 65 65 ARG H H 68 9.020 8.435 0.585 1
1 832 . 7 1 1 A 65 65 ARG CA C 68 57.200 56.572 0.628 1
1 833 . 7 1 1 A 65 65 ARG HA H 68 4.480 4.623 -0.143 1
1 834 . 7 1 1 A 65 65 ARG CB C 68 30.500 30.800 -0.300 1
1 843 . 7 1 1 A 65 65 ARG C C 68 176.800 176.187 0.613 1
1 844 . 7 1 1 A 66 66 VAL N N 69 122.300 123.622 -1.322 1
1 845 . 7 1 1 A 66 66 VAL H H 69 8.280 8.460 -0.180 1
1 846 . 7 1 1 A 66 66 VAL CA C 69 62.200 62.202 -0.002 1
1 847 . 7 1 1 A 66 66 VAL HA H 69 4.100 4.249 -0.149 1
1 848 . 7 1 1 A 66 66 VAL CB C 69 32.800 33.124 -0.324 1
1 858 . 7 1 1 A 66 66 VAL C C 69 175.500 175.596 -0.096 1
1 859 . 7 1 1 A 67 67 ILE N N 70 124.000 127.919 -3.919 1
1 860 . 7 1 1 A 67 67 ILE H H 70 7.930 8.291 -0.361 1
1 861 . 7 1 1 A 67 67 ILE CA C 70 60.300 60.681 -0.381 1
1 862 . 7 1 1 A 67 67 ILE HA H 70 4.210 4.272 -0.062 1
1 863 . 7 1 1 A 67 67 ILE CB C 70 38.900 38.557 0.343 1
1 876 . 7 1 1 A 67 67 ILE C C 70 175.500 174.591 0.909 1
1 877 . 7 1 1 A 68 68 TYR N N 71 126.200 127.497 -1.297 1
1 878 . 7 1 1 A 68 68 TYR H H 71 8.450 8.535 -0.085 1
1 879 . 7 1 1 A 68 68 TYR CA C 71 57.900 56.989 0.911 1
1 880 . 7 1 1 A 68 68 TYR HA H 71 4.590 4.799 -0.209 1
1 881 . 7 1 1 A 68 68 TYR CB C 71 39.000 39.799 -0.799 1
1 886 . 7 1 1 A 68 68 TYR C C 71 176.200 175.851 0.349 1
1 887 . 7 1 1 A 69 69 GLY N N 72 112.000 108.749 3.251 1
1 888 . 7 1 1 A 69 69 GLY H H 72 8.370 8.747 -0.377 1
1 889 . 7 1 1 A 69 69 GLY CA C 72 45.300 46.728 -1.428 1
1 890 . 7 1 1 A 69 69 GLY HA2 H 72 3.910 3.881 0.029 1
1 891 . 7 1 1 A 69 69 GLY HA3 H 72 3.910 3.908 0.002 1
1 892 . 7 1 1 A 69 69 GLY C C 72 173.500 174.691 -1.191 1
1 10 . 8 1 1 A 2 2 VAL N N 5 122.400 122.730 -0.330 1
1 11 . 8 1 1 A 2 2 VAL H H 5 8.290 8.281 0.009 1
1 12 . 8 1 1 A 2 2 VAL CA C 5 62.400 62.015 0.385 1
1 13 . 8 1 1 A 2 2 VAL HA H 5 4.120 4.565 -0.445 1
1 14 . 8 1 1 A 2 2 VAL CB C 5 32.600 32.768 -0.168 1
1 24 . 8 1 1 A 2 2 VAL C C 5 175.700 174.088 1.612 1
1 25 . 8 1 1 A 3 3 ILE N N 6 125.000 131.834 -6.834 1
1 26 . 8 1 1 A 3 3 ILE H H 6 8.240 8.733 -0.493 1
1 27 . 8 1 1 A 3 3 ILE CA C 6 60.900 59.944 0.956 1
1 28 . 8 1 1 A 3 3 ILE HA H 6 4.210 4.735 -0.525 1
1 29 . 8 1 1 A 3 3 ILE CB C 6 38.700 38.365 0.335 1
1 42 . 8 1 1 A 3 3 ILE C C 6 176.000 176.147 -0.147 1
1 43 . 8 1 1 A 4 4 GLY N N 7 112.900 112.588 0.312 1
1 44 . 8 1 1 A 4 4 GLY H H 7 8.330 8.398 -0.068 1
1 45 . 8 1 1 A 4 4 GLY CA C 7 45.300 43.921 1.379 1
1 46 . 8 1 1 A 4 4 GLY HA2 H 7 4.140 4.114 0.026 1
1 47 . 8 1 1 A 4 4 GLY HA3 H 7 4.020 4.115 -0.095 1
1 48 . 8 1 1 A 4 4 GLY C C 7 172.800 171.987 0.813 1
1 49 . 8 1 1 A 5 5 MET N N 8 118.400 116.571 1.829 1
1 50 . 8 1 1 A 5 5 MET H H 8 8.540 8.449 0.091 1
1 51 . 8 1 1 A 5 5 MET CA C 8 54.800 54.481 0.319 1
1 52 . 8 1 1 A 5 5 MET HA H 8 4.820 5.270 -0.450 1
1 53 . 8 1 1 A 5 5 MET CB C 8 35.500 35.496 0.004 1
1 63 . 8 1 1 A 5 5 MET C C 8 174.100 173.759 0.341 1
1 64 . 8 1 1 A 6 6 LYS N N 9 122.000 123.286 -1.286 1
1 65 . 8 1 1 A 6 6 LYS H H 9 9.150 9.434 -0.284 1
1 66 . 8 1 1 A 6 6 LYS CA C 9 55.100 54.783 0.317 1
1 67 . 8 1 1 A 6 6 LYS HA H 9 5.430 5.299 0.131 1
1 68 . 8 1 1 A 6 6 LYS CB C 9 36.100 35.042 1.058 1
1 80 . 8 1 1 A 6 6 LYS C C 9 174.500 175.029 -0.529 1
1 81 . 8 1 1 A 7 7 PHE N N 10 119.300 123.048 -3.748 1
1 82 . 8 1 1 A 7 7 PHE H H 10 8.670 8.704 -0.034 1
1 83 . 8 1 1 A 7 7 PHE CA C 10 55.700 55.310 0.390 1
1 84 . 8 1 1 A 7 7 PHE HA H 10 5.190 5.585 -0.395 1
1 85 . 8 1 1 A 7 7 PHE CB C 10 40.100 41.786 -1.686 1
1 92 . 8 1 1 A 7 7 PHE C C 10 172.400 172.469 -0.069 1
1 93 . 8 1 1 A 8 8 THR N N 11 116.500 115.805 0.695 1
1 94 . 8 1 1 A 8 8 THR H H 11 8.440 8.867 -0.427 1
1 95 . 8 1 1 A 8 8 THR CA C 11 62.200 59.654 2.546 1
1 96 . 8 1 1 A 8 8 THR HA H 11 5.070 5.319 -0.249 1
1 97 . 8 1 1 A 8 8 THR CB C 11 70.800 71.389 -0.589 1
1 103 . 8 1 1 A 8 8 THR C C 11 173.300 172.527 0.773 1
1 104 . 8 1 1 A 9 9 VAL N N 12 126.200 125.676 0.524 1
1 105 . 8 1 1 A 9 9 VAL H H 12 9.400 9.284 0.116 1
1 106 . 8 1 1 A 9 9 VAL CA C 12 60.700 59.809 0.891 1
1 107 . 8 1 1 A 9 9 VAL HA H 12 5.090 5.560 -0.470 1
1 108 . 8 1 1 A 9 9 VAL CB C 12 34.100 35.277 -1.177 1
1 118 . 8 1 1 A 9 9 VAL C C 12 174.500 172.853 1.647 1
1 119 . 8 1 1 A 10 10 ILE N N 13 129.600 128.869 0.731 1
1 120 . 8 1 1 A 10 10 ILE H H 13 9.560 9.078 0.482 1
1 121 . 8 1 1 A 10 10 ILE CA C 13 61.400 59.584 1.816 1
1 122 . 8 1 1 A 10 10 ILE HA H 13 4.640 5.143 -0.503 1
1 123 . 8 1 1 A 10 10 ILE CB C 13 39.700 40.455 -0.755 1
1 136 . 8 1 1 A 10 10 ILE C C 13 175.200 175.125 0.075 1
1 137 . 8 1 1 A 11 11 THR N N 14 116.800 120.029 -3.229 1
1 138 . 8 1 1 A 11 11 THR H H 14 8.430 8.857 -0.427 1
1 139 . 8 1 1 A 11 11 THR CA C 14 59.200 60.238 -1.038 1
1 140 . 8 1 1 A 11 11 THR HA H 14 5.160 4.895 0.265 1
1 141 . 8 1 1 A 11 11 THR CB C 14 71.900 71.978 -0.078 1
1 147 . 8 1 1 A 11 11 THR C C 14 175.800 174.427 1.373 1
1 148 . 8 1 1 A 12 12 ASP N N 15 120.000 120.055 -0.055 1
1 149 . 8 1 1 A 12 12 ASP H H 15 9.010 9.085 -0.075 1
1 150 . 8 1 1 A 12 12 ASP CA C 15 56.900 56.443 0.457 1
1 151 . 8 1 1 A 12 12 ASP HA H 15 4.440 4.448 -0.008 1
1 152 . 8 1 1 A 12 12 ASP CB C 15 40.900 39.794 1.106 1
1 155 . 8 1 1 A 12 12 ASP C C 15 176.600 177.564 -0.964 1
1 156 . 8 1 1 A 13 13 ASP N N 16 115.300 118.329 -3.029 1
1 157 . 8 1 1 A 13 13 ASP H H 16 8.090 7.940 0.150 1
1 158 . 8 1 1 A 13 13 ASP CA C 16 53.400 54.042 -0.642 1
1 159 . 8 1 1 A 13 13 ASP HA H 16 4.730 4.652 0.078 1
1 160 . 8 1 1 A 13 13 ASP CB C 16 41.800 41.194 0.606 1
1 163 . 8 1 1 A 13 13 ASP C C 16 175.700 176.119 -0.419 1
1 164 . 8 1 1 A 14 14 GLY N N 17 108.000 107.169 0.831 1
1 165 . 8 1 1 A 14 14 GLY H H 17 7.610 7.430 0.180 1
1 166 . 8 1 1 A 14 14 GLY CA C 17 44.900 43.733 1.167 1
1 167 . 8 1 1 A 14 14 GLY HA2 H 17 4.450 4.051 0.399 1
1 168 . 8 1 1 A 14 14 GLY HA3 H 17 3.860 4.054 -0.194 1
1 169 . 8 1 1 A 14 14 GLY C C 17 171.800 172.194 -0.394 1
1 170 . 8 1 1 A 15 15 LYS N N 18 120.600 121.004 -0.404 1
1 171 . 8 1 1 A 15 15 LYS H H 18 8.430 8.446 -0.016 1
1 172 . 8 1 1 A 15 15 LYS CA C 18 55.400 55.140 0.260 1
1 173 . 8 1 1 A 15 15 LYS HA H 18 5.080 5.215 -0.135 1
1 174 . 8 1 1 A 15 15 LYS CB C 18 34.600 33.923 0.677 1
1 186 . 8 1 1 A 15 15 LYS C C 18 175.600 175.121 0.479 1
1 187 . 8 1 1 A 16 16 LYS N N 19 125.700 127.249 -1.549 1
1 188 . 8 1 1 A 16 16 LYS H H 19 9.160 9.297 -0.137 1
1 189 . 8 1 1 A 16 16 LYS CA C 19 55.000 54.735 0.265 1
1 190 . 8 1 1 A 16 16 LYS HA H 19 4.620 4.949 -0.329 1
1 191 . 8 1 1 A 16 16 LYS CB C 19 36.100 36.423 -0.323 1
1 201 . 8 1 1 A 16 16 LYS C C 19 174.000 174.176 -0.176 1
1 202 . 8 1 1 A 17 17 ILE N N 20 123.800 124.862 -1.062 1
1 203 . 8 1 1 A 17 17 ILE H H 20 8.420 8.837 -0.417 1
1 204 . 8 1 1 A 17 17 ILE CA C 20 60.400 59.507 0.893 1
1 205 . 8 1 1 A 17 17 ILE HA H 20 4.620 4.778 -0.158 1
1 206 . 8 1 1 A 17 17 ILE CB C 20 37.900 38.606 -0.706 1
1 219 . 8 1 1 A 17 17 ILE C C 20 175.700 174.649 1.051 1
1 220 . 8 1 1 A 18 18 LEU N N 21 130.500 127.761 2.739 1
1 221 . 8 1 1 A 18 18 LEU H H 21 8.600 9.077 -0.477 1
1 222 . 8 1 1 A 18 18 LEU CA C 21 53.500 52.797 0.703 1
1 223 . 8 1 1 A 18 18 LEU HA H 21 4.490 4.973 -0.483 1
1 224 . 8 1 1 A 18 18 LEU CB C 21 44.500 44.607 -0.107 1
1 236 . 8 1 1 A 18 18 LEU C C 21 174.000 174.888 -0.888 1
1 237 . 8 1 1 A 19 19 GLU N N 22 116.200 123.163 -6.963 1
1 238 . 8 1 1 A 19 19 GLU H H 22 7.940 8.781 -0.841 1
1 239 . 8 1 1 A 19 19 GLU CA C 22 53.800 54.564 -0.764 1
1 240 . 8 1 1 A 19 19 GLU HA H 22 5.280 5.275 0.005 1
1 241 . 8 1 1 A 19 19 GLU CB C 22 33.400 33.568 -0.168 1
1 247 . 8 1 1 A 19 19 GLU C C 22 176.600 174.621 1.979 1
1 248 . 8 1 1 A 20 20 SER N N 23 114.700 121.315 -6.615 1
1 249 . 8 1 1 A 20 20 SER H H 23 8.630 8.826 -0.196 1
1 250 . 8 1 1 A 20 20 SER CA C 23 57.400 56.032 1.368 1
1 251 . 8 1 1 A 20 20 SER HA H 23 4.780 5.136 -0.356 1
1 252 . 8 1 1 A 20 20 SER CB C 23 65.900 65.555 0.345 1
1 255 . 8 1 1 A 20 20 SER C C 23 174.100 174.936 -0.836 1
1 256 . 8 1 1 A 21 21 GLY N N 24 109.400 113.608 -4.208 1
1 257 . 8 1 1 A 21 21 GLY H H 24 8.340 8.800 -0.460 1
1 258 . 8 1 1 A 21 21 GLY CA C 24 45.100 46.622 -1.522 1
1 259 . 8 1 1 A 21 21 GLY HA2 H 24 4.470 3.842 0.628 1
1 260 . 8 1 1 A 21 21 GLY HA3 H 24 3.790 3.846 -0.056 1
1 261 . 8 1 1 A 21 21 GLY C C 24 172.600 173.878 -1.278 1
1 262 . 8 1 1 A 22 22 ALA N N 25 122.500 121.370 1.130 1
1 263 . 8 1 1 A 22 22 ALA H H 25 7.790 7.728 0.062 1
1 264 . 8 1 1 A 22 22 ALA CA C 25 49.900 50.011 -0.111 1
1 265 . 8 1 1 A 22 22 ALA HA H 25 4.780 4.919 -0.139 1
1 269 . 8 1 1 A 22 22 ALA CB C 25 20.600 21.900 -1.300 1
1 271 . 8 1 1 A 23 23 PRO CA C 26 63.700 63.117 0.583 1
1 272 . 8 1 1 A 23 23 PRO HA H 26 4.400 4.714 -0.314 1
1 273 . 8 1 1 A 23 23 PRO CB C 26 31.900 31.682 0.218 1
1 281 . 8 1 1 A 23 23 PRO C C 26 176.500 175.906 0.594 1
1 282 . 8 1 1 A 24 24 ARG N N 27 120.200 123.754 -3.554 1
1 283 . 8 1 1 A 24 24 ARG H H 27 7.810 8.098 -0.288 1
1 284 . 8 1 1 A 24 24 ARG CA C 27 53.800 54.433 -0.633 1
1 285 . 8 1 1 A 24 24 ARG HA H 27 4.680 4.833 -0.153 1
1 286 . 8 1 1 A 24 24 ARG CB C 27 35.600 33.276 2.324 1
1 295 . 8 1 1 A 24 24 ARG C C 27 174.300 175.238 -0.938 1
1 296 . 8 1 1 A 25 25 ARG N N 28 119.300 120.870 -1.570 1
1 297 . 8 1 1 A 25 25 ARG H H 28 8.900 9.296 -0.396 1
1 298 . 8 1 1 A 25 25 ARG CA C 28 54.200 55.513 -1.313 1
1 299 . 8 1 1 A 25 25 ARG HA H 28 4.870 4.334 0.536 1
1 300 . 8 1 1 A 25 25 ARG CB C 28 32.200 30.998 1.202 1
1 309 . 8 1 1 A 25 25 ARG C C 28 178.300 178.063 0.237 1
1 310 . 8 1 1 A 26 26 ILE N N 29 123.500 122.398 1.102 1
1 311 . 8 1 1 A 26 26 ILE H H 29 8.630 9.173 -0.543 1
1 312 . 8 1 1 A 26 26 ILE CA C 29 65.200 64.775 0.425 1
1 313 . 8 1 1 A 26 26 ILE HA H 29 3.410 3.634 -0.224 1
1 314 . 8 1 1 A 26 26 ILE CB C 29 36.500 37.219 -0.719 1
1 327 . 8 1 1 A 26 26 ILE C C 29 178.600 178.110 0.490 1
1 328 . 8 1 1 A 27 27 LYS N N 30 115.100 121.413 -6.313 1
1 329 . 8 1 1 A 27 27 LYS H H 30 8.900 7.741 1.159 1
1 330 . 8 1 1 A 27 27 LYS CA C 30 59.300 59.008 0.292 1
1 331 . 8 1 1 A 27 27 LYS HA H 30 3.900 3.892 0.008 1
1 332 . 8 1 1 A 27 27 LYS CB C 30 31.700 31.884 -0.184 1
1 344 . 8 1 1 A 27 27 LYS C C 30 178.000 178.360 -0.360 1
1 345 . 8 1 1 A 28 28 ASP N N 31 119.700 119.376 0.324 1
1 346 . 8 1 1 A 28 28 ASP H H 31 7.180 7.999 -0.819 1
1 347 . 8 1 1 A 28 28 ASP CA C 31 56.900 57.105 -0.205 1
1 348 . 8 1 1 A 28 28 ASP HA H 31 4.480 4.382 0.098 1
1 349 . 8 1 1 A 28 28 ASP CB C 31 41.300 40.545 0.755 1
1 352 . 8 1 1 A 28 28 ASP C C 31 178.600 178.829 -0.229 1
1 353 . 8 1 1 A 29 29 VAL N N 32 122.100 119.645 2.455 1
1 354 . 8 1 1 A 29 29 VAL H H 32 7.410 7.714 -0.304 1
1 355 . 8 1 1 A 29 29 VAL CA C 32 65.900 66.687 -0.787 1
1 356 . 8 1 1 A 29 29 VAL HA H 32 3.730 3.612 0.118 1
1 357 . 8 1 1 A 29 29 VAL CB C 32 32.000 31.821 0.179 1
1 367 . 8 1 1 A 29 29 VAL C C 32 177.600 177.956 -0.356 1
1 368 . 8 1 1 A 30 30 LEU N N 33 118.000 118.597 -0.597 1
1 369 . 8 1 1 A 30 30 LEU H H 33 8.380 8.385 -0.005 1
1 370 . 8 1 1 A 30 30 LEU CA C 33 58.500 57.965 0.535 1
1 371 . 8 1 1 A 30 30 LEU HA H 33 3.910 3.982 -0.072 1
1 372 . 8 1 1 A 30 30 LEU CB C 33 39.200 41.768 -2.568 1
1 385 . 8 1 1 A 30 30 LEU C C 33 179.200 179.251 -0.051 1
1 386 . 8 1 1 A 31 31 GLY N N 34 104.500 106.505 -2.005 1
1 387 . 8 1 1 A 31 31 GLY H H 34 7.730 8.312 -0.582 1
1 388 . 8 1 1 A 31 31 GLY CA C 34 47.100 47.231 -0.131 1
1 389 . 8 1 1 A 31 31 GLY HA2 H 34 3.940 3.755 0.185 1
1 390 . 8 1 1 A 31 31 GLY HA3 H 34 3.940 3.757 0.183 1
1 391 . 8 1 1 A 31 31 GLY C C 34 177.500 175.535 1.965 1
1 392 . 8 1 1 A 32 32 GLU N N 35 124.300 121.453 2.847 1
1 393 . 8 1 1 A 32 32 GLU H H 35 7.750 8.373 -0.623 1
1 394 . 8 1 1 A 32 32 GLU CA C 35 59.100 58.828 0.272 1
1 395 . 8 1 1 A 32 32 GLU HA H 35 4.130 4.123 0.007 1
1 396 . 8 1 1 A 32 32 GLU CB C 35 29.800 29.675 0.125 1
1 402 . 8 1 1 A 32 32 GLU C C 35 178.300 178.274 0.026 1
1 403 . 8 1 1 A 33 33 LEU N N 36 117.300 117.590 -0.290 1
1 404 . 8 1 1 A 33 33 LEU H H 36 7.750 7.607 0.143 1
1 405 . 8 1 1 A 33 33 LEU CA C 36 55.000 54.760 0.240 1
1 406 . 8 1 1 A 33 33 LEU HA H 36 4.270 4.339 -0.069 1
1 407 . 8 1 1 A 33 33 LEU CB C 36 42.100 42.067 0.033 1
1 420 . 8 1 1 A 33 33 LEU C C 36 175.200 176.259 -1.059 1
1 421 . 8 1 1 A 34 34 GLU N N 37 115.500 118.856 -3.356 1
1 422 . 8 1 1 A 34 34 GLU H H 37 7.780 8.159 -0.379 1
1 423 . 8 1 1 A 34 34 GLU CA C 37 57.200 57.282 -0.082 1
1 424 . 8 1 1 A 34 34 GLU HA H 37 3.830 3.993 -0.163 1
1 425 . 8 1 1 A 34 34 GLU CB C 37 26.700 28.158 -1.458 1
1 431 . 8 1 1 A 34 34 GLU C C 37 175.300 175.024 0.276 1
1 432 . 8 1 1 A 35 35 ILE N N 38 121.300 119.637 1.663 1
1 433 . 8 1 1 A 35 35 ILE H H 38 8.010 8.250 -0.240 1
1 434 . 8 1 1 A 35 35 ILE CA C 38 58.300 57.439 0.861 1
1 435 . 8 1 1 A 35 35 ILE HA H 38 4.410 4.551 -0.141 1
1 436 . 8 1 1 A 35 35 ILE CB C 38 40.300 40.880 -0.580 1
1 450 . 8 1 1 A 36 36 PRO CA C 39 62.400 62.783 -0.383 1
1 451 . 8 1 1 A 36 36 PRO HA H 39 4.470 4.652 -0.182 1
1 452 . 8 1 1 A 36 36 PRO CB C 39 31.600 31.663 -0.063 1
1 460 . 8 1 1 A 36 36 PRO C C 39 179.200 177.535 1.665 1
1 461 . 8 1 1 A 37 37 ILE N N 40 127.500 125.851 1.649 1
1 462 . 8 1 1 A 37 37 ILE H H 40 8.350 9.009 -0.659 1
1 463 . 8 1 1 A 37 37 ILE CA C 40 63.700 62.632 1.068 1
1 464 . 8 1 1 A 37 37 ILE HA H 40 3.750 4.201 -0.451 1
1 465 . 8 1 1 A 37 37 ILE CB C 40 38.600 38.141 0.459 1
1 478 . 8 1 1 A 37 37 ILE C C 40 176.100 177.200 -1.100 1
1 479 . 8 1 1 A 38 38 GLU N N 41 118.500 122.042 -3.542 1
1 480 . 8 1 1 A 38 38 GLU H H 41 9.370 7.902 1.468 1
1 481 . 8 1 1 A 38 38 GLU CA C 41 58.400 59.176 -0.776 1
1 482 . 8 1 1 A 38 38 GLU HA H 41 4.330 4.091 0.239 1
1 483 . 8 1 1 A 38 38 GLU CB C 41 28.500 29.583 -1.083 1
1 489 . 8 1 1 A 38 38 GLU C C 41 177.600 178.537 -0.937 1
1 490 . 8 1 1 A 39 39 THR N N 42 107.400 113.495 -6.095 1
1 491 . 8 1 1 A 39 39 THR H H 42 7.810 7.767 0.043 1
1 492 . 8 1 1 A 39 39 THR CA C 42 61.600 64.909 -3.309 1
1 493 . 8 1 1 A 39 39 THR HA H 42 4.520 4.359 0.161 1
1 494 . 8 1 1 A 39 39 THR CB C 42 70.300 69.754 0.546 1
1 500 . 8 1 1 A 39 39 THR C C 42 174.000 174.125 -0.125 1
1 501 . 8 1 1 A 40 40 VAL N N 43 112.000 117.224 -5.224 1
1 502 . 8 1 1 A 40 40 VAL H H 43 7.230 7.384 -0.154 1
1 503 . 8 1 1 A 40 40 VAL CA C 43 59.100 59.100 0.000 1
1 504 . 8 1 1 A 40 40 VAL HA H 43 5.420 4.830 0.590 1
1 505 . 8 1 1 A 40 40 VAL CB C 43 36.400 34.692 1.708 1
1 515 . 8 1 1 A 40 40 VAL C C 43 175.200 174.634 0.566 1
1 516 . 8 1 1 A 41 41 VAL N N 44 120.400 122.205 -1.805 1
1 517 . 8 1 1 A 41 41 VAL H H 44 9.080 8.780 0.300 1
1 518 . 8 1 1 A 41 41 VAL CA C 44 61.500 61.414 0.086 1
1 519 . 8 1 1 A 41 41 VAL HA H 44 4.230 4.525 -0.295 1
1 520 . 8 1 1 A 41 41 VAL CB C 44 34.600 33.276 1.324 1
1 530 . 8 1 1 A 41 41 VAL C C 44 174.000 175.085 -1.085 1
1 531 . 8 1 1 A 42 42 VAL N N 45 123.400 128.802 -5.402 1
1 532 . 8 1 1 A 42 42 VAL H H 45 8.820 8.996 -0.176 1
1 533 . 8 1 1 A 42 42 VAL CA C 45 60.000 61.204 -1.204 1
1 534 . 8 1 1 A 42 42 VAL HA H 45 5.120 4.676 0.444 1
1 535 . 8 1 1 A 42 42 VAL CB C 45 34.300 32.894 1.406 1
1 545 . 8 1 1 A 42 42 VAL C C 45 174.700 175.065 -0.365 1
1 546 . 8 1 1 A 43 43 LYS N N 46 121.700 126.581 -4.881 1
1 547 . 8 1 1 A 43 43 LYS H H 46 8.920 9.053 -0.133 1
1 548 . 8 1 1 A 43 43 LYS CA C 46 53.800 54.171 -0.371 1
1 549 . 8 1 1 A 43 43 LYS HA H 46 5.180 5.443 -0.263 1
1 550 . 8 1 1 A 43 43 LYS CB C 46 36.900 35.621 1.279 1
1 562 . 8 1 1 A 43 43 LYS C C 46 175.600 175.303 0.297 1
1 563 . 8 1 1 A 44 44 LYS N N 47 122.300 122.529 -0.229 1
1 564 . 8 1 1 A 44 44 LYS H H 47 9.240 9.087 0.153 1
1 565 . 8 1 1 A 44 44 LYS CA C 47 54.400 54.913 -0.513 1
1 566 . 8 1 1 A 44 44 LYS HA H 47 5.190 4.753 0.437 1
1 567 . 8 1 1 A 44 44 LYS CB C 47 36.100 32.156 3.944 1
1 578 . 8 1 1 A 44 44 LYS C C 47 176.000 177.061 -1.061 1
1 579 . 8 1 1 A 45 45 ASN N N 48 129.600 122.754 6.846 1
1 580 . 8 1 1 A 45 45 ASN H H 48 9.980 9.651 0.329 1
1 581 . 8 1 1 A 45 45 ASN CA C 48 54.300 54.360 -0.060 1
1 582 . 8 1 1 A 45 45 ASN HA H 48 4.490 4.454 0.036 1
1 583 . 8 1 1 A 45 45 ASN CB C 48 37.200 38.036 -0.836 1
1 589 . 8 1 1 A 45 45 ASN C C 48 175.800 174.663 1.137 1
1 590 . 8 1 1 A 46 46 GLY N N 49 103.200 105.665 -2.465 1
1 591 . 8 1 1 A 46 46 GLY H H 49 9.340 8.472 0.868 1
1 592 . 8 1 1 A 46 46 GLY CA C 49 45.200 45.140 0.060 1
1 593 . 8 1 1 A 46 46 GLY HA2 H 49 4.300 4.088 0.212 1
1 594 . 8 1 1 A 46 46 GLY HA3 H 49 3.650 4.090 -0.440 1
1 595 . 8 1 1 A 46 46 GLY C C 49 173.600 174.463 -0.863 1
1 596 . 8 1 1 A 47 47 GLN N N 50 119.700 119.868 -0.168 1
1 597 . 8 1 1 A 47 47 GLN H H 50 7.690 7.963 -0.273 1
1 598 . 8 1 1 A 47 47 GLN CA C 50 53.500 55.568 -2.068 1
1 599 . 8 1 1 A 47 47 GLN HA H 50 4.770 4.400 0.370 1
1 600 . 8 1 1 A 47 47 GLN CB C 50 31.300 29.449 1.851 1
1 606 . 8 1 1 A 47 47 GLN C C 50 175.000 175.724 -0.724 1
1 607 . 8 1 1 A 48 48 ILE N N 51 125.800 124.333 1.467 1
1 608 . 8 1 1 A 48 48 ILE H H 51 8.790 8.480 0.310 1
1 609 . 8 1 1 A 48 48 ILE CA C 51 63.000 61.843 1.157 1
1 610 . 8 1 1 A 48 48 ILE HA H 51 4.380 4.289 0.091 1
1 611 . 8 1 1 A 48 48 ILE CB C 51 37.400 36.975 0.425 1
1 624 . 8 1 1 A 48 48 ILE C C 51 176.500 176.004 0.496 1
1 625 . 8 1 1 A 49 49 VAL N N 52 121.900 121.149 0.751 1
1 626 . 8 1 1 A 49 49 VAL H H 52 8.290 9.042 -0.752 1
1 627 . 8 1 1 A 49 49 VAL CA C 52 58.900 59.679 -0.779 1
1 628 . 8 1 1 A 49 49 VAL HA H 52 4.860 5.125 -0.265 1
1 629 . 8 1 1 A 49 49 VAL CB C 52 35.700 35.844 -0.144 1
1 639 . 8 1 1 A 50 50 ILE N N 53 114.600 116.489 -1.889 1
1 640 . 8 1 1 A 50 50 ILE H H 53 8.020 8.235 -0.215 1
1 641 . 8 1 1 A 50 50 ILE CA C 53 60.500 59.009 1.491 1
1 642 . 8 1 1 A 50 50 ILE HA H 53 4.610 4.575 0.035 1
1 643 . 8 1 1 A 50 50 ILE CB C 53 39.500 39.505 -0.005 1
1 656 . 8 1 1 A 50 50 ILE C C 53 177.000 176.079 0.921 1
1 657 . 8 1 1 A 51 51 ASP N N 54 118.300 121.114 -2.814 1
1 658 . 8 1 1 A 51 51 ASP H H 54 8.390 8.994 -0.604 1
1 659 . 8 1 1 A 51 51 ASP CA C 54 56.300 55.581 0.719 1
1 660 . 8 1 1 A 51 51 ASP HA H 54 4.010 4.481 -0.471 1
1 661 . 8 1 1 A 51 51 ASP CB C 54 40.200 39.672 0.528 1
1 664 . 8 1 1 A 51 51 ASP C C 54 176.300 178.238 -1.938 1
1 665 . 8 1 1 A 52 52 GLU N N 55 116.900 120.009 -3.109 1
1 666 . 8 1 1 A 52 52 GLU H H 55 7.100 8.057 -0.957 1
1 667 . 8 1 1 A 52 52 GLU CA C 55 56.000 58.632 -2.632 1
1 668 . 8 1 1 A 52 52 GLU HA H 55 4.200 4.056 0.144 1
1 669 . 8 1 1 A 52 52 GLU CB C 55 30.000 29.362 0.638 1
1 675 . 8 1 1 A 52 52 GLU C C 55 175.700 177.239 -1.539 1
1 676 . 8 1 1 A 53 53 GLU N N 56 120.300 119.819 0.481 1
1 677 . 8 1 1 A 53 53 GLU H H 56 7.570 7.430 0.140 1
1 678 . 8 1 1 A 53 53 GLU CA C 56 57.400 56.514 0.886 1
1 679 . 8 1 1 A 53 53 GLU HA H 56 4.090 4.378 -0.288 1
1 680 . 8 1 1 A 53 53 GLU CB C 56 30.300 30.225 0.075 1
1 686 . 8 1 1 A 53 53 GLU C C 56 175.400 175.911 -0.511 1
1 687 . 8 1 1 A 54 54 GLU N N 57 123.400 121.815 1.585 1
1 688 . 8 1 1 A 54 54 GLU H H 57 8.430 8.652 -0.222 1
1 689 . 8 1 1 A 54 54 GLU CA C 57 56.500 56.088 0.412 1
1 690 . 8 1 1 A 54 54 GLU HA H 57 4.320 4.277 0.043 1
1 691 . 8 1 1 A 54 54 GLU CB C 57 32.200 30.453 1.747 1
1 697 . 8 1 1 A 54 54 GLU C C 57 174.300 176.025 -1.725 1
1 698 . 8 1 1 A 55 55 ILE N N 58 122.000 122.621 -0.621 1
1 699 . 8 1 1 A 55 55 ILE H H 58 7.850 8.528 -0.678 1
1 700 . 8 1 1 A 55 55 ILE CA C 58 60.400 59.792 0.608 1
1 701 . 8 1 1 A 55 55 ILE HA H 58 3.770 4.482 -0.712 1
1 702 . 8 1 1 A 55 55 ILE CB C 58 40.100 38.224 1.876 1
1 715 . 8 1 1 A 55 55 ILE C C 58 172.900 174.994 -2.094 1
1 716 . 8 1 1 A 56 56 PHE N N 59 124.500 125.721 -1.221 1
1 717 . 8 1 1 A 56 56 PHE H H 59 8.970 8.954 0.016 1
1 718 . 8 1 1 A 56 56 PHE CA C 59 55.900 56.213 -0.313 1
1 719 . 8 1 1 A 56 56 PHE HA H 59 4.820 5.061 -0.241 1
1 720 . 8 1 1 A 56 56 PHE CB C 59 41.900 42.877 -0.977 1
1 727 . 8 1 1 A 56 56 PHE C C 59 175.100 174.717 0.383 1
1 728 . 8 1 1 A 57 57 ASP N N 60 117.300 123.437 -6.137 1
1 729 . 8 1 1 A 57 57 ASP H H 60 8.320 8.844 -0.524 1
1 730 . 8 1 1 A 57 57 ASP CA C 60 56.400 55.938 0.462 1
1 731 . 8 1 1 A 57 57 ASP HA H 60 4.630 4.436 0.194 1
1 732 . 8 1 1 A 57 57 ASP CB C 60 42.700 40.523 2.177 1
1 735 . 8 1 1 A 57 57 ASP C C 60 177.900 177.440 0.460 1
1 736 . 8 1 1 A 58 58 GLY N N 61 114.600 113.647 0.953 1
1 737 . 8 1 1 A 58 58 GLY H H 61 9.700 9.182 0.518 1
1 738 . 8 1 1 A 58 58 GLY CA C 61 45.100 46.085 -0.985 1
1 739 . 8 1 1 A 58 58 GLY HA2 H 61 4.420 3.884 0.536 1
1 740 . 8 1 1 A 58 58 GLY HA3 H 61 3.770 3.896 -0.126 1
1 741 . 8 1 1 A 58 58 GLY C C 61 174.900 173.492 1.408 1
1 742 . 8 1 1 A 59 59 ASP N N 62 122.200 120.671 1.529 1
1 743 . 8 1 1 A 59 59 ASP H H 62 8.350 7.673 0.677 1
1 744 . 8 1 1 A 59 59 ASP CA C 62 55.900 53.059 2.841 1
1 745 . 8 1 1 A 59 59 ASP HA H 62 4.940 5.073 -0.133 1
1 746 . 8 1 1 A 59 59 ASP CB C 62 42.500 43.026 -0.526 1
1 749 . 8 1 1 A 59 59 ASP C C 62 176.000 175.499 0.501 1
1 750 . 8 1 1 A 60 60 ILE N N 63 119.100 124.208 -5.108 1
1 751 . 8 1 1 A 60 60 ILE H H 63 8.400 8.916 -0.516 1
1 752 . 8 1 1 A 60 60 ILE CA C 63 60.700 60.135 0.565 1
1 753 . 8 1 1 A 60 60 ILE HA H 63 4.690 4.801 -0.111 1
1 754 . 8 1 1 A 60 60 ILE CB C 63 39.700 39.271 0.429 1
1 767 . 8 1 1 A 60 60 ILE C C 63 175.400 174.831 0.569 1
1 768 . 8 1 1 A 61 61 ILE N N 64 130.300 128.765 1.535 1
1 769 . 8 1 1 A 61 61 ILE H H 64 9.550 9.873 -0.323 1
1 770 . 8 1 1 A 61 61 ILE CA C 64 58.300 60.422 -2.122 1
1 771 . 8 1 1 A 61 61 ILE HA H 64 5.230 4.775 0.455 1
1 772 . 8 1 1 A 61 61 ILE CB C 64 38.700 38.431 0.269 1
1 785 . 8 1 1 A 61 61 ILE C C 64 174.400 174.770 -0.370 1
1 786 . 8 1 1 A 62 62 GLU N N 65 126.800 127.529 -0.729 1
1 787 . 8 1 1 A 62 62 GLU H H 65 9.340 9.142 0.198 1
1 788 . 8 1 1 A 62 62 GLU CA C 65 54.500 55.578 -1.078 1
1 789 . 8 1 1 A 62 62 GLU HA H 65 5.080 4.836 0.244 1
1 790 . 8 1 1 A 62 62 GLU CB C 65 33.300 30.508 2.792 1
1 796 . 8 1 1 A 62 62 GLU C C 65 174.300 175.536 -1.236 1
1 797 . 8 1 1 A 63 63 VAL N N 66 124.300 126.179 -1.879 1
1 798 . 8 1 1 A 63 63 VAL H H 66 8.710 8.621 0.089 1
1 799 . 8 1 1 A 63 63 VAL CA C 66 61.900 62.151 -0.251 1
1 800 . 8 1 1 A 63 63 VAL HA H 66 4.420 4.654 -0.234 1
1 801 . 8 1 1 A 63 63 VAL CB C 66 32.600 31.689 0.911 1
1 811 . 8 1 1 A 63 63 VAL C C 66 175.300 175.070 0.230 1
1 812 . 8 1 1 A 64 64 ILE N N 67 131.200 128.893 2.307 1
1 813 . 8 1 1 A 64 64 ILE H H 67 9.180 9.511 -0.331 1
1 814 . 8 1 1 A 64 64 ILE CA C 67 60.200 60.142 0.058 1
1 815 . 8 1 1 A 64 64 ILE HA H 67 4.360 4.713 -0.353 1
1 816 . 8 1 1 A 64 64 ILE CB C 67 40.400 38.111 2.289 1
1 829 . 8 1 1 A 64 64 ILE C C 67 175.300 175.653 -0.353 1
1 830 . 8 1 1 A 65 65 ARG N N 68 126.900 127.686 -0.786 1
1 831 . 8 1 1 A 65 65 ARG H H 68 9.020 8.466 0.554 1
1 832 . 8 1 1 A 65 65 ARG CA C 68 57.200 56.092 1.108 1
1 833 . 8 1 1 A 65 65 ARG HA H 68 4.480 4.319 0.161 1
1 834 . 8 1 1 A 65 65 ARG CB C 68 30.500 30.351 0.149 1
1 843 . 8 1 1 A 65 65 ARG C C 68 176.800 175.806 0.994 1
1 844 . 8 1 1 A 66 66 VAL N N 69 122.300 120.554 1.746 1
1 845 . 8 1 1 A 66 66 VAL H H 69 8.280 8.467 -0.187 1
1 846 . 8 1 1 A 66 66 VAL CA C 69 62.200 61.444 0.756 1
1 847 . 8 1 1 A 66 66 VAL HA H 69 4.100 4.412 -0.312 1
1 848 . 8 1 1 A 66 66 VAL CB C 69 32.800 32.962 -0.162 1
1 858 . 8 1 1 A 66 66 VAL C C 69 175.500 175.194 0.306 1
1 859 . 8 1 1 A 67 67 ILE N N 70 124.000 125.311 -1.311 1
1 860 . 8 1 1 A 67 67 ILE H H 70 7.930 8.304 -0.374 1
1 861 . 8 1 1 A 67 67 ILE CA C 70 60.300 61.203 -0.903 1
1 862 . 8 1 1 A 67 67 ILE HA H 70 4.210 4.384 -0.174 1
1 863 . 8 1 1 A 67 67 ILE CB C 70 38.900 37.850 1.050 1
1 876 . 8 1 1 A 67 67 ILE C C 70 175.500 176.174 -0.674 1
1 877 . 8 1 1 A 68 68 TYR N N 71 126.200 130.404 -4.204 1
1 878 . 8 1 1 A 68 68 TYR H H 71 8.450 9.141 -0.691 1
1 879 . 8 1 1 A 68 68 TYR CA C 71 57.900 59.827 -1.927 1
1 880 . 8 1 1 A 68 68 TYR HA H 71 4.590 4.408 0.182 1
1 881 . 8 1 1 A 68 68 TYR CB C 71 39.000 39.876 -0.876 1
1 886 . 8 1 1 A 68 68 TYR C C 71 176.200 175.809 0.391 1
1 887 . 8 1 1 A 69 69 GLY N N 72 112.000 106.963 5.037 1
1 888 . 8 1 1 A 69 69 GLY H H 72 8.370 7.550 0.820 1
1 889 . 8 1 1 A 69 69 GLY CA C 72 45.300 43.740 1.560 1
1 890 . 8 1 1 A 69 69 GLY HA2 H 72 3.910 4.018 -0.108 1
1 891 . 8 1 1 A 69 69 GLY HA3 H 72 3.910 4.066 -0.156 1
1 892 . 8 1 1 A 69 69 GLY C C 72 173.500 172.050 1.450 1
1 10 . 9 1 1 A 2 2 VAL N N 5 122.400 125.967 -3.567 1
1 11 . 9 1 1 A 2 2 VAL H H 5 8.290 9.213 -0.923 1
1 12 . 9 1 1 A 2 2 VAL CA C 5 62.400 61.288 1.112 1
1 13 . 9 1 1 A 2 2 VAL HA H 5 4.120 4.796 -0.676 1
1 14 . 9 1 1 A 2 2 VAL CB C 5 32.600 33.623 -1.023 1
1 24 . 9 1 1 A 2 2 VAL C C 5 175.700 174.876 0.824 1
1 25 . 9 1 1 A 3 3 ILE N N 6 125.000 127.325 -2.325 1
1 26 . 9 1 1 A 3 3 ILE H H 6 8.240 8.789 -0.549 1
1 27 . 9 1 1 A 3 3 ILE CA C 6 60.900 60.367 0.533 1
1 28 . 9 1 1 A 3 3 ILE HA H 6 4.210 4.614 -0.404 1
1 29 . 9 1 1 A 3 3 ILE CB C 6 38.700 38.379 0.321 1
1 42 . 9 1 1 A 3 3 ILE C C 6 176.000 176.499 -0.499 1
1 43 . 9 1 1 A 4 4 GLY N N 7 112.900 113.758 -0.858 1
1 44 . 9 1 1 A 4 4 GLY H H 7 8.330 8.450 -0.120 1
1 45 . 9 1 1 A 4 4 GLY CA C 7 45.300 44.484 0.816 1
1 46 . 9 1 1 A 4 4 GLY HA2 H 7 4.140 4.078 0.062 1
1 47 . 9 1 1 A 4 4 GLY HA3 H 7 4.020 4.080 -0.060 1
1 48 . 9 1 1 A 4 4 GLY C C 7 172.800 172.657 0.143 1
1 49 . 9 1 1 A 5 5 MET N N 8 118.400 116.207 2.193 1
1 50 . 9 1 1 A 5 5 MET H H 8 8.540 8.778 -0.238 1
1 51 . 9 1 1 A 5 5 MET CA C 8 54.800 54.756 0.044 1
1 52 . 9 1 1 A 5 5 MET HA H 8 4.820 5.824 -1.004 1
1 53 . 9 1 1 A 5 5 MET CB C 8 35.500 35.551 -0.051 1
1 63 . 9 1 1 A 5 5 MET C C 8 174.100 174.478 -0.378 1
1 64 . 9 1 1 A 6 6 LYS N N 9 122.000 118.389 3.611 1
1 65 . 9 1 1 A 6 6 LYS H H 9 9.150 8.502 0.648 1
1 66 . 9 1 1 A 6 6 LYS CA C 9 55.100 54.557 0.543 1
1 67 . 9 1 1 A 6 6 LYS HA H 9 5.430 5.469 -0.039 1
1 68 . 9 1 1 A 6 6 LYS CB C 9 36.100 36.443 -0.343 1
1 80 . 9 1 1 A 6 6 LYS C C 9 174.500 175.062 -0.562 1
1 81 . 9 1 1 A 7 7 PHE N N 10 119.300 116.755 2.545 1
1 82 . 9 1 1 A 7 7 PHE H H 10 8.670 8.958 -0.288 1
1 83 . 9 1 1 A 7 7 PHE CA C 10 55.700 55.754 -0.054 1
1 84 . 9 1 1 A 7 7 PHE HA H 10 5.190 5.437 -0.247 1
1 85 . 9 1 1 A 7 7 PHE CB C 10 40.100 42.504 -2.404 1
1 92 . 9 1 1 A 7 7 PHE C C 10 172.400 172.322 0.078 1
1 93 . 9 1 1 A 8 8 THR N N 11 116.500 116.811 -0.311 1
1 94 . 9 1 1 A 8 8 THR H H 11 8.440 8.468 -0.028 1
1 95 . 9 1 1 A 8 8 THR CA C 11 62.200 62.158 0.042 1
1 96 . 9 1 1 A 8 8 THR HA H 11 5.070 4.652 0.418 1
1 97 . 9 1 1 A 8 8 THR CB C 11 70.800 69.540 1.260 1
1 103 . 9 1 1 A 8 8 THR C C 11 173.300 173.208 0.092 1
1 104 . 9 1 1 A 9 9 VAL N N 12 126.200 127.424 -1.224 1
1 105 . 9 1 1 A 9 9 VAL H H 12 9.400 9.072 0.328 1
1 106 . 9 1 1 A 9 9 VAL CA C 12 60.700 60.026 0.674 1
1 107 . 9 1 1 A 9 9 VAL HA H 12 5.090 5.447 -0.357 1
1 108 . 9 1 1 A 9 9 VAL CB C 12 34.100 34.281 -0.181 1
1 118 . 9 1 1 A 9 9 VAL C C 12 174.500 173.648 0.852 1
1 119 . 9 1 1 A 10 10 ILE N N 13 129.600 129.354 0.246 1
1 120 . 9 1 1 A 10 10 ILE H H 13 9.560 9.053 0.507 1
1 121 . 9 1 1 A 10 10 ILE CA C 13 61.400 59.712 1.688 1
1 122 . 9 1 1 A 10 10 ILE HA H 13 4.640 4.945 -0.305 1
1 123 . 9 1 1 A 10 10 ILE CB C 13 39.700 40.388 -0.688 1
1 136 . 9 1 1 A 10 10 ILE C C 13 175.200 174.370 0.830 1
1 137 . 9 1 1 A 11 11 THR N N 14 116.800 124.865 -8.065 1
1 138 . 9 1 1 A 11 11 THR H H 14 8.430 8.482 -0.052 1
1 139 . 9 1 1 A 11 11 THR CA C 14 59.200 60.995 -1.795 1
1 140 . 9 1 1 A 11 11 THR HA H 14 5.160 4.783 0.377 1
1 141 . 9 1 1 A 11 11 THR CB C 14 71.900 73.079 -1.179 1
1 147 . 9 1 1 A 11 11 THR C C 14 175.800 174.072 1.728 1
1 148 . 9 1 1 A 12 12 ASP N N 15 120.000 123.577 -3.577 1
1 149 . 9 1 1 A 12 12 ASP H H 15 9.010 9.067 -0.057 1
1 150 . 9 1 1 A 12 12 ASP CA C 15 56.900 56.563 0.337 1
1 151 . 9 1 1 A 12 12 ASP HA H 15 4.440 4.407 0.033 1
1 152 . 9 1 1 A 12 12 ASP CB C 15 40.900 40.398 0.502 1
1 155 . 9 1 1 A 12 12 ASP C C 15 176.600 177.388 -0.788 1
1 156 . 9 1 1 A 13 13 ASP N N 16 115.300 118.263 -2.963 1
1 157 . 9 1 1 A 13 13 ASP H H 16 8.090 7.888 0.202 1
1 158 . 9 1 1 A 13 13 ASP CA C 16 53.400 54.135 -0.735 1
1 159 . 9 1 1 A 13 13 ASP HA H 16 4.730 4.649 0.081 1
1 160 . 9 1 1 A 13 13 ASP CB C 16 41.800 41.126 0.674 1
1 163 . 9 1 1 A 13 13 ASP C C 16 175.700 176.355 -0.655 1
1 164 . 9 1 1 A 14 14 GLY N N 17 108.000 106.685 1.315 1
1 165 . 9 1 1 A 14 14 GLY H H 17 7.610 7.596 0.014 1
1 166 . 9 1 1 A 14 14 GLY CA C 17 44.900 44.258 0.642 1
1 167 . 9 1 1 A 14 14 GLY HA2 H 17 4.450 4.036 0.414 1
1 168 . 9 1 1 A 14 14 GLY HA3 H 17 3.860 4.039 -0.179 1
1 169 . 9 1 1 A 14 14 GLY C C 17 171.800 171.996 -0.196 1
1 170 . 9 1 1 A 15 15 LYS N N 18 120.600 121.131 -0.531 1
1 171 . 9 1 1 A 15 15 LYS H H 18 8.430 8.435 -0.005 1
1 172 . 9 1 1 A 15 15 LYS CA C 18 55.400 55.815 -0.415 1
1 173 . 9 1 1 A 15 15 LYS HA H 18 5.080 4.760 0.320 1
1 174 . 9 1 1 A 15 15 LYS CB C 18 34.600 33.419 1.181 1
1 186 . 9 1 1 A 15 15 LYS C C 18 175.600 175.261 0.339 1
1 187 . 9 1 1 A 16 16 LYS N N 19 125.700 126.869 -1.169 1
1 188 . 9 1 1 A 16 16 LYS H H 19 9.160 8.907 0.253 1
1 189 . 9 1 1 A 16 16 LYS CA C 19 55.000 54.720 0.280 1
1 190 . 9 1 1 A 16 16 LYS HA H 19 4.620 4.976 -0.356 1
1 191 . 9 1 1 A 16 16 LYS CB C 19 36.100 36.084 0.016 1
1 201 . 9 1 1 A 16 16 LYS C C 19 174.000 175.077 -1.077 1
1 202 . 9 1 1 A 17 17 ILE N N 20 123.800 125.925 -2.125 1
1 203 . 9 1 1 A 17 17 ILE H H 20 8.420 8.523 -0.103 1
1 204 . 9 1 1 A 17 17 ILE CA C 20 60.400 60.851 -0.451 1
1 205 . 9 1 1 A 17 17 ILE HA H 20 4.620 4.421 0.199 1
1 206 . 9 1 1 A 17 17 ILE CB C 20 37.900 39.369 -1.469 1
1 219 . 9 1 1 A 17 17 ILE C C 20 175.700 174.459 1.241 1
1 220 . 9 1 1 A 18 18 LEU N N 21 130.500 131.454 -0.954 1
1 221 . 9 1 1 A 18 18 LEU H H 21 8.600 9.024 -0.424 1
1 222 . 9 1 1 A 18 18 LEU CA C 21 53.500 53.123 0.377 1
1 223 . 9 1 1 A 18 18 LEU HA H 21 4.490 4.974 -0.484 1
1 224 . 9 1 1 A 18 18 LEU CB C 21 44.500 44.434 0.066 1
1 236 . 9 1 1 A 18 18 LEU C C 21 174.000 174.351 -0.351 1
1 237 . 9 1 1 A 19 19 GLU N N 22 116.200 127.867 -11.667 1
1 238 . 9 1 1 A 19 19 GLU H H 22 7.940 8.723 -0.783 1
1 239 . 9 1 1 A 19 19 GLU CA C 22 53.800 54.740 -0.940 1
1 240 . 9 1 1 A 19 19 GLU HA H 22 5.280 5.073 0.207 1
1 241 . 9 1 1 A 19 19 GLU CB C 22 33.400 33.274 0.126 1
1 247 . 9 1 1 A 19 19 GLU C C 22 176.600 174.914 1.686 1
1 248 . 9 1 1 A 20 20 SER N N 23 114.700 123.111 -8.411 1
1 249 . 9 1 1 A 20 20 SER H H 23 8.630 9.249 -0.619 1
1 250 . 9 1 1 A 20 20 SER CA C 23 57.400 57.668 -0.268 1
1 251 . 9 1 1 A 20 20 SER HA H 23 4.780 4.973 -0.193 1
1 252 . 9 1 1 A 20 20 SER CB C 23 65.900 65.957 -0.057 1
1 255 . 9 1 1 A 20 20 SER C C 23 174.100 174.832 -0.732 1
1 256 . 9 1 1 A 21 21 GLY N N 24 109.400 113.081 -3.681 1
1 257 . 9 1 1 A 21 21 GLY H H 24 8.340 8.835 -0.495 1
1 258 . 9 1 1 A 21 21 GLY CA C 24 45.100 46.535 -1.435 1
1 259 . 9 1 1 A 21 21 GLY HA2 H 24 4.470 3.861 0.609 1
1 260 . 9 1 1 A 21 21 GLY HA3 H 24 3.790 3.866 -0.076 1
1 261 . 9 1 1 A 21 21 GLY C C 24 172.600 174.050 -1.450 1
1 262 . 9 1 1 A 22 22 ALA N N 25 122.500 122.907 -0.407 1
1 263 . 9 1 1 A 22 22 ALA H H 25 7.790 7.817 -0.027 1
1 264 . 9 1 1 A 22 22 ALA CA C 25 49.900 48.840 1.060 1
1 265 . 9 1 1 A 22 22 ALA HA H 25 4.780 4.649 0.131 1
1 269 . 9 1 1 A 22 22 ALA CB C 25 20.600 21.162 -0.562 1
1 271 . 9 1 1 A 23 23 PRO CA C 26 63.700 62.995 0.705 1
1 272 . 9 1 1 A 23 23 PRO HA H 26 4.400 4.433 -0.033 1
1 273 . 9 1 1 A 23 23 PRO CB C 26 31.900 32.201 -0.301 1
1 281 . 9 1 1 A 23 23 PRO C C 26 176.500 175.360 1.140 1
1 282 . 9 1 1 A 24 24 ARG N N 27 120.200 123.625 -3.425 1
1 283 . 9 1 1 A 24 24 ARG H H 27 7.810 8.719 -0.909 1
1 284 . 9 1 1 A 24 24 ARG CA C 27 53.800 54.604 -0.804 1
1 285 . 9 1 1 A 24 24 ARG HA H 27 4.680 4.782 -0.102 1
1 286 . 9 1 1 A 24 24 ARG CB C 27 35.600 33.972 1.628 1
1 295 . 9 1 1 A 24 24 ARG C C 27 174.300 173.903 0.397 1
1 296 . 9 1 1 A 25 25 ARG N N 28 119.300 125.506 -6.206 1
1 297 . 9 1 1 A 25 25 ARG H H 28 8.900 8.624 0.276 1
1 298 . 9 1 1 A 25 25 ARG CA C 28 54.200 55.408 -1.208 1
1 299 . 9 1 1 A 25 25 ARG HA H 28 4.870 4.336 0.534 1
1 300 . 9 1 1 A 25 25 ARG CB C 28 32.200 31.785 0.415 1
1 309 . 9 1 1 A 25 25 ARG C C 28 178.300 177.215 1.085 1
1 310 . 9 1 1 A 26 26 ILE N N 29 123.500 124.771 -1.271 1
1 311 . 9 1 1 A 26 26 ILE H H 29 8.630 9.485 -0.855 1
1 312 . 9 1 1 A 26 26 ILE CA C 29 65.200 65.168 0.032 1
1 313 . 9 1 1 A 26 26 ILE HA H 29 3.410 3.578 -0.168 1
1 314 . 9 1 1 A 26 26 ILE CB C 29 36.500 37.774 -1.274 1
1 327 . 9 1 1 A 26 26 ILE C C 29 178.600 177.899 0.701 1
1 328 . 9 1 1 A 27 27 LYS N N 30 115.100 120.647 -5.547 1
1 329 . 9 1 1 A 27 27 LYS H H 30 8.900 7.806 1.094 1
1 330 . 9 1 1 A 27 27 LYS CA C 30 59.300 59.755 -0.455 1
1 331 . 9 1 1 A 27 27 LYS HA H 30 3.900 3.854 0.046 1
1 332 . 9 1 1 A 27 27 LYS CB C 30 31.700 32.131 -0.431 1
1 344 . 9 1 1 A 27 27 LYS C C 30 178.000 178.290 -0.290 1
1 345 . 9 1 1 A 28 28 ASP N N 31 119.700 119.636 0.064 1
1 346 . 9 1 1 A 28 28 ASP H H 31 7.180 8.064 -0.884 1
1 347 . 9 1 1 A 28 28 ASP CA C 31 56.900 57.082 -0.182 1
1 348 . 9 1 1 A 28 28 ASP HA H 31 4.480 4.354 0.126 1
1 349 . 9 1 1 A 28 28 ASP CB C 31 41.300 40.694 0.606 1
1 352 . 9 1 1 A 28 28 ASP C C 31 178.600 178.850 -0.250 1
1 353 . 9 1 1 A 29 29 VAL N N 32 122.100 119.698 2.402 1
1 354 . 9 1 1 A 29 29 VAL H H 32 7.410 7.992 -0.582 1
1 355 . 9 1 1 A 29 29 VAL CA C 32 65.900 66.899 -0.999 1
1 356 . 9 1 1 A 29 29 VAL HA H 32 3.730 3.586 0.144 1
1 357 . 9 1 1 A 29 29 VAL CB C 32 32.000 31.266 0.734 1
1 367 . 9 1 1 A 29 29 VAL C C 32 177.600 178.002 -0.402 1
1 368 . 9 1 1 A 30 30 LEU N N 33 118.000 120.830 -2.830 1
1 369 . 9 1 1 A 30 30 LEU H H 33 8.380 8.809 -0.429 1
1 370 . 9 1 1 A 30 30 LEU CA C 33 58.500 57.924 0.576 1
1 371 . 9 1 1 A 30 30 LEU HA H 33 3.910 3.945 -0.035 1
1 372 . 9 1 1 A 30 30 LEU CB C 33 39.200 41.901 -2.701 1
1 385 . 9 1 1 A 30 30 LEU C C 33 179.200 178.928 0.272 1
1 386 . 9 1 1 A 31 31 GLY N N 34 104.500 105.776 -1.276 1
1 387 . 9 1 1 A 31 31 GLY H H 34 7.730 8.542 -0.812 1
1 388 . 9 1 1 A 31 31 GLY CA C 34 47.100 47.344 -0.244 1
1 389 . 9 1 1 A 31 31 GLY HA2 H 34 3.940 3.738 0.202 1
1 390 . 9 1 1 A 31 31 GLY HA3 H 34 3.940 3.741 0.199 1
1 391 . 9 1 1 A 31 31 GLY C C 34 177.500 175.590 1.910 1
1 392 . 9 1 1 A 32 32 GLU N N 35 124.300 121.524 2.776 1
1 393 . 9 1 1 A 32 32 GLU H H 35 7.750 8.496 -0.746 1
1 394 . 9 1 1 A 32 32 GLU CA C 35 59.100 59.074 0.026 1
1 395 . 9 1 1 A 32 32 GLU HA H 35 4.130 4.101 0.029 1
1 396 . 9 1 1 A 32 32 GLU CB C 35 29.800 29.619 0.181 1
1 402 . 9 1 1 A 32 32 GLU C C 35 178.300 178.416 -0.116 1
1 403 . 9 1 1 A 33 33 LEU N N 36 117.300 117.849 -0.549 1
1 404 . 9 1 1 A 33 33 LEU H H 36 7.750 7.951 -0.201 1
1 405 . 9 1 1 A 33 33 LEU CA C 36 55.000 55.325 -0.325 1
1 406 . 9 1 1 A 33 33 LEU HA H 36 4.270 4.265 0.005 1
1 407 . 9 1 1 A 33 33 LEU CB C 36 42.100 41.682 0.418 1
1 420 . 9 1 1 A 33 33 LEU C C 36 175.200 176.060 -0.860 1
1 421 . 9 1 1 A 34 34 GLU N N 37 115.500 118.887 -3.387 1
1 422 . 9 1 1 A 34 34 GLU H H 37 7.780 8.100 -0.320 1
1 423 . 9 1 1 A 34 34 GLU CA C 37 57.200 57.305 -0.105 1
1 424 . 9 1 1 A 34 34 GLU HA H 37 3.830 4.002 -0.172 1
1 425 . 9 1 1 A 34 34 GLU CB C 37 26.700 28.225 -1.525 1
1 431 . 9 1 1 A 34 34 GLU C C 37 175.300 175.115 0.185 1
1 432 . 9 1 1 A 35 35 ILE N N 38 121.300 119.501 1.799 1
1 433 . 9 1 1 A 35 35 ILE H H 38 8.010 8.273 -0.263 1
1 434 . 9 1 1 A 35 35 ILE CA C 38 58.300 57.620 0.680 1
1 435 . 9 1 1 A 35 35 ILE HA H 38 4.410 4.449 -0.039 1
1 436 . 9 1 1 A 35 35 ILE CB C 38 40.300 39.006 1.294 1
1 450 . 9 1 1 A 36 36 PRO CA C 39 62.400 62.669 -0.269 1
1 451 . 9 1 1 A 36 36 PRO HA H 39 4.470 4.629 -0.159 1
1 452 . 9 1 1 A 36 36 PRO CB C 39 31.600 31.536 0.064 1
1 460 . 9 1 1 A 36 36 PRO C C 39 179.200 177.533 1.667 1
1 461 . 9 1 1 A 37 37 ILE N N 40 127.500 125.759 1.741 1
1 462 . 9 1 1 A 37 37 ILE H H 40 8.350 8.777 -0.427 1
1 463 . 9 1 1 A 37 37 ILE CA C 40 63.700 62.940 0.760 1
1 464 . 9 1 1 A 37 37 ILE HA H 40 3.750 4.141 -0.391 1
1 465 . 9 1 1 A 37 37 ILE CB C 40 38.600 37.835 0.765 1
1 478 . 9 1 1 A 37 37 ILE C C 40 176.100 177.175 -1.075 1
1 479 . 9 1 1 A 38 38 GLU N N 41 118.500 121.712 -3.212 1
1 480 . 9 1 1 A 38 38 GLU H H 41 9.370 7.960 1.410 1
1 481 . 9 1 1 A 38 38 GLU CA C 41 58.400 59.056 -0.656 1
1 482 . 9 1 1 A 38 38 GLU HA H 41 4.330 4.032 0.298 1
1 483 . 9 1 1 A 38 38 GLU CB C 41 28.500 29.604 -1.104 1
1 489 . 9 1 1 A 38 38 GLU C C 41 177.600 177.666 -0.066 1
1 490 . 9 1 1 A 39 39 THR N N 42 107.400 112.416 -5.016 1
1 491 . 9 1 1 A 39 39 THR H H 42 7.810 7.647 0.163 1
1 492 . 9 1 1 A 39 39 THR CA C 42 61.600 61.298 0.302 1
1 493 . 9 1 1 A 39 39 THR HA H 42 4.520 4.616 -0.096 1
1 494 . 9 1 1 A 39 39 THR CB C 42 70.300 70.053 0.247 1
1 500 . 9 1 1 A 39 39 THR C C 42 174.000 173.666 0.334 1
1 501 . 9 1 1 A 40 40 VAL N N 43 112.000 119.253 -7.253 1
1 502 . 9 1 1 A 40 40 VAL H H 43 7.230 7.412 -0.182 1
1 503 . 9 1 1 A 40 40 VAL CA C 43 59.100 59.059 0.041 1
1 504 . 9 1 1 A 40 40 VAL HA H 43 5.420 4.885 0.535 1
1 505 . 9 1 1 A 40 40 VAL CB C 43 36.400 35.353 1.047 1
1 515 . 9 1 1 A 40 40 VAL C C 43 175.200 174.025 1.175 1
1 516 . 9 1 1 A 41 41 VAL N N 44 120.400 123.835 -3.435 1
1 517 . 9 1 1 A 41 41 VAL H H 44 9.080 9.376 -0.296 1
1 518 . 9 1 1 A 41 41 VAL CA C 44 61.500 61.147 0.353 1
1 519 . 9 1 1 A 41 41 VAL HA H 44 4.230 4.696 -0.466 1
1 520 . 9 1 1 A 41 41 VAL CB C 44 34.600 33.569 1.031 1
1 530 . 9 1 1 A 41 41 VAL C C 44 174.000 174.751 -0.751 1
1 531 . 9 1 1 A 42 42 VAL N N 45 123.400 128.803 -5.403 1
1 532 . 9 1 1 A 42 42 VAL H H 45 8.820 8.965 -0.145 1
1 533 . 9 1 1 A 42 42 VAL CA C 45 60.000 61.216 -1.216 1
1 534 . 9 1 1 A 42 42 VAL HA H 45 5.120 4.744 0.376 1
1 535 . 9 1 1 A 42 42 VAL CB C 45 34.300 32.777 1.523 1
1 545 . 9 1 1 A 42 42 VAL C C 45 174.700 175.167 -0.467 1
1 546 . 9 1 1 A 43 43 LYS N N 46 121.700 127.033 -5.333 1
1 547 . 9 1 1 A 43 43 LYS H H 46 8.920 9.019 -0.099 1
1 548 . 9 1 1 A 43 43 LYS CA C 46 53.800 54.471 -0.671 1
1 549 . 9 1 1 A 43 43 LYS HA H 46 5.180 5.253 -0.073 1
1 550 . 9 1 1 A 43 43 LYS CB C 46 36.900 35.965 0.935 1
1 562 . 9 1 1 A 43 43 LYS C C 46 175.600 175.094 0.506 1
1 563 . 9 1 1 A 44 44 LYS N N 47 122.300 122.361 -0.061 1
1 564 . 9 1 1 A 44 44 LYS H H 47 9.240 8.923 0.317 1
1 565 . 9 1 1 A 44 44 LYS CA C 47 54.400 55.209 -0.809 1
1 566 . 9 1 1 A 44 44 LYS HA H 47 5.190 4.908 0.282 1
1 567 . 9 1 1 A 44 44 LYS CB C 47 36.100 31.979 4.121 1
1 578 . 9 1 1 A 44 44 LYS C C 47 176.000 176.400 -0.400 1
1 579 . 9 1 1 A 45 45 ASN N N 48 129.600 124.668 4.932 1
1 580 . 9 1 1 A 45 45 ASN H H 48 9.980 9.737 0.243 1
1 581 . 9 1 1 A 45 45 ASN CA C 48 54.300 54.420 -0.120 1
1 582 . 9 1 1 A 45 45 ASN HA H 48 4.490 4.497 -0.007 1
1 583 . 9 1 1 A 45 45 ASN CB C 48 37.200 36.891 0.309 1
1 589 . 9 1 1 A 45 45 ASN C C 48 175.800 175.328 0.472 1
1 590 . 9 1 1 A 46 46 GLY N N 49 103.200 105.249 -2.049 1
1 591 . 9 1 1 A 46 46 GLY H H 49 9.340 8.289 1.051 1
1 592 . 9 1 1 A 46 46 GLY CA C 49 45.200 45.122 0.078 1
1 593 . 9 1 1 A 46 46 GLY HA2 H 49 4.300 4.034 0.266 1
1 594 . 9 1 1 A 46 46 GLY HA3 H 49 3.650 4.034 -0.384 1
1 595 . 9 1 1 A 46 46 GLY C C 49 173.600 174.144 -0.544 1
1 596 . 9 1 1 A 47 47 GLN N N 50 119.700 119.952 -0.252 1
1 597 . 9 1 1 A 47 47 GLN H H 50 7.690 7.910 -0.220 1
1 598 . 9 1 1 A 47 47 GLN CA C 50 53.500 55.570 -2.070 1
1 599 . 9 1 1 A 47 47 GLN HA H 50 4.770 4.412 0.358 1
1 600 . 9 1 1 A 47 47 GLN CB C 50 31.300 29.730 1.570 1
1 606 . 9 1 1 A 47 47 GLN C C 50 175.000 175.956 -0.956 1
1 607 . 9 1 1 A 48 48 ILE N N 51 125.800 124.199 1.601 1
1 608 . 9 1 1 A 48 48 ILE H H 51 8.790 8.524 0.266 1
1 609 . 9 1 1 A 48 48 ILE CA C 51 63.000 62.186 0.814 1
1 610 . 9 1 1 A 48 48 ILE HA H 51 4.380 4.218 0.162 1
1 611 . 9 1 1 A 48 48 ILE CB C 51 37.400 37.314 0.086 1
1 624 . 9 1 1 A 48 48 ILE C C 51 176.500 175.983 0.517 1
1 625 . 9 1 1 A 49 49 VAL N N 52 121.900 121.724 0.176 1
1 626 . 9 1 1 A 49 49 VAL H H 52 8.290 8.793 -0.503 1
1 627 . 9 1 1 A 49 49 VAL CA C 52 58.900 59.861 -0.961 1
1 628 . 9 1 1 A 49 49 VAL HA H 52 4.860 5.081 -0.221 1
1 629 . 9 1 1 A 49 49 VAL CB C 52 35.700 35.829 -0.129 1
1 639 . 9 1 1 A 50 50 ILE N N 53 114.600 116.131 -1.531 1
1 640 . 9 1 1 A 50 50 ILE H H 53 8.020 8.139 -0.119 1
1 641 . 9 1 1 A 50 50 ILE CA C 53 60.500 58.448 2.052 1
1 642 . 9 1 1 A 50 50 ILE HA H 53 4.610 4.560 0.050 1
1 643 . 9 1 1 A 50 50 ILE CB C 53 39.500 40.780 -1.280 1
1 656 . 9 1 1 A 50 50 ILE C C 53 177.000 176.557 0.443 1
1 657 . 9 1 1 A 51 51 ASP N N 54 118.300 122.642 -4.342 1
1 658 . 9 1 1 A 51 51 ASP H H 54 8.390 8.994 -0.604 1
1 659 . 9 1 1 A 51 51 ASP CA C 54 56.300 57.883 -1.583 1
1 660 . 9 1 1 A 51 51 ASP HA H 54 4.010 4.197 -0.187 1
1 661 . 9 1 1 A 51 51 ASP CB C 54 40.200 40.865 -0.665 1
1 664 . 9 1 1 A 51 51 ASP C C 54 176.300 177.340 -1.040 1
1 665 . 9 1 1 A 52 52 GLU N N 55 116.900 117.768 -0.868 1
1 666 . 9 1 1 A 52 52 GLU H H 55 7.100 7.743 -0.643 1
1 667 . 9 1 1 A 52 52 GLU CA C 55 56.000 57.527 -1.527 1
1 668 . 9 1 1 A 52 52 GLU HA H 55 4.200 4.261 -0.061 1
1 669 . 9 1 1 A 52 52 GLU CB C 55 30.000 29.624 0.376 1
1 675 . 9 1 1 A 52 52 GLU C C 55 175.700 177.082 -1.382 1
1 676 . 9 1 1 A 53 53 GLU N N 56 120.300 119.911 0.389 1
1 677 . 9 1 1 A 53 53 GLU H H 56 7.570 7.763 -0.193 1
1 678 . 9 1 1 A 53 53 GLU CA C 56 57.400 56.994 0.406 1
1 679 . 9 1 1 A 53 53 GLU HA H 56 4.090 4.281 -0.191 1
1 680 . 9 1 1 A 53 53 GLU CB C 56 30.300 30.260 0.040 1
1 686 . 9 1 1 A 53 53 GLU C C 56 175.400 175.985 -0.585 1
1 687 . 9 1 1 A 54 54 GLU N N 57 123.400 122.877 0.523 1
1 688 . 9 1 1 A 54 54 GLU H H 57 8.430 8.535 -0.105 1
1 689 . 9 1 1 A 54 54 GLU CA C 57 56.500 54.603 1.897 1
1 690 . 9 1 1 A 54 54 GLU HA H 57 4.320 4.698 -0.378 1
1 691 . 9 1 1 A 54 54 GLU CB C 57 32.200 31.469 0.731 1
1 697 . 9 1 1 A 54 54 GLU C C 57 174.300 174.823 -0.523 1
1 698 . 9 1 1 A 55 55 ILE N N 58 122.000 122.819 -0.819 1
1 699 . 9 1 1 A 55 55 ILE H H 58 7.850 8.464 -0.614 1
1 700 . 9 1 1 A 55 55 ILE CA C 58 60.400 60.468 -0.068 1
1 701 . 9 1 1 A 55 55 ILE HA H 58 3.770 4.294 -0.524 1
1 702 . 9 1 1 A 55 55 ILE CB C 58 40.100 38.852 1.248 1
1 715 . 9 1 1 A 55 55 ILE C C 58 172.900 174.957 -2.057 1
1 716 . 9 1 1 A 56 56 PHE N N 59 124.500 127.288 -2.788 1
1 717 . 9 1 1 A 56 56 PHE H H 59 8.970 8.641 0.329 1
1 718 . 9 1 1 A 56 56 PHE CA C 59 55.900 56.959 -1.059 1
1 719 . 9 1 1 A 56 56 PHE HA H 59 4.820 4.942 -0.122 1
1 720 . 9 1 1 A 56 56 PHE CB C 59 41.900 42.251 -0.351 1
1 727 . 9 1 1 A 56 56 PHE C C 59 175.100 174.902 0.198 1
1 728 . 9 1 1 A 57 57 ASP N N 60 117.300 122.146 -4.846 1
1 729 . 9 1 1 A 57 57 ASP H H 60 8.320 8.855 -0.535 1
1 730 . 9 1 1 A 57 57 ASP CA C 60 56.400 55.891 0.509 1
1 731 . 9 1 1 A 57 57 ASP HA H 60 4.630 4.481 0.149 1
1 732 . 9 1 1 A 57 57 ASP CB C 60 42.700 40.568 2.132 1
1 735 . 9 1 1 A 57 57 ASP C C 60 177.900 177.114 0.786 1
1 736 . 9 1 1 A 58 58 GLY N N 61 114.600 113.989 0.611 1
1 737 . 9 1 1 A 58 58 GLY H H 61 9.700 9.160 0.540 1
1 738 . 9 1 1 A 58 58 GLY CA C 61 45.100 46.079 -0.979 1
1 739 . 9 1 1 A 58 58 GLY HA2 H 61 4.420 3.975 0.445 1
1 740 . 9 1 1 A 58 58 GLY HA3 H 61 3.770 3.983 -0.213 1
1 741 . 9 1 1 A 58 58 GLY C C 61 174.900 173.727 1.173 1
1 742 . 9 1 1 A 59 59 ASP N N 62 122.200 120.061 2.139 1
1 743 . 9 1 1 A 59 59 ASP H H 62 8.350 8.065 0.285 1
1 744 . 9 1 1 A 59 59 ASP CA C 62 55.900 53.066 2.834 1
1 745 . 9 1 1 A 59 59 ASP HA H 62 4.940 5.120 -0.180 1
1 746 . 9 1 1 A 59 59 ASP CB C 62 42.500 43.219 -0.719 1
1 749 . 9 1 1 A 59 59 ASP C C 62 176.000 175.346 0.654 1
1 750 . 9 1 1 A 60 60 ILE N N 63 119.100 122.691 -3.591 1
1 751 . 9 1 1 A 60 60 ILE H H 63 8.400 8.766 -0.366 1
1 752 . 9 1 1 A 60 60 ILE CA C 63 60.700 60.622 0.078 1
1 753 . 9 1 1 A 60 60 ILE HA H 63 4.690 4.877 -0.187 1
1 754 . 9 1 1 A 60 60 ILE CB C 63 39.700 40.429 -0.729 1
1 767 . 9 1 1 A 60 60 ILE C C 63 175.400 174.581 0.819 1
1 768 . 9 1 1 A 61 61 ILE N N 64 130.300 128.956 1.344 1
1 769 . 9 1 1 A 61 61 ILE H H 64 9.550 8.958 0.592 1
1 770 . 9 1 1 A 61 61 ILE CA C 64 58.300 60.314 -2.014 1
1 771 . 9 1 1 A 61 61 ILE HA H 64 5.230 4.950 0.280 1
1 772 . 9 1 1 A 61 61 ILE CB C 64 38.700 39.459 -0.759 1
1 785 . 9 1 1 A 61 61 ILE C C 64 174.400 174.827 -0.427 1
1 786 . 9 1 1 A 62 62 GLU N N 65 126.800 127.707 -0.907 1
1 787 . 9 1 1 A 62 62 GLU H H 65 9.340 9.561 -0.221 1
1 788 . 9 1 1 A 62 62 GLU CA C 65 54.500 55.315 -0.815 1
1 789 . 9 1 1 A 62 62 GLU HA H 65 5.080 4.900 0.180 1
1 790 . 9 1 1 A 62 62 GLU CB C 65 33.300 31.182 2.118 1
1 796 . 9 1 1 A 62 62 GLU C C 65 174.300 175.558 -1.258 1
1 797 . 9 1 1 A 63 63 VAL N N 66 124.300 126.172 -1.872 1
1 798 . 9 1 1 A 63 63 VAL H H 66 8.710 8.898 -0.188 1
1 799 . 9 1 1 A 63 63 VAL CA C 66 61.900 61.936 -0.036 1
1 800 . 9 1 1 A 63 63 VAL HA H 66 4.420 4.670 -0.250 1
1 801 . 9 1 1 A 63 63 VAL CB C 66 32.600 32.399 0.201 1
1 811 . 9 1 1 A 63 63 VAL C C 66 175.300 175.129 0.171 1
1 812 . 9 1 1 A 64 64 ILE N N 67 131.200 128.825 2.375 1
1 813 . 9 1 1 A 64 64 ILE H H 67 9.180 9.424 -0.244 1
1 814 . 9 1 1 A 64 64 ILE CA C 67 60.200 60.224 -0.024 1
1 815 . 9 1 1 A 64 64 ILE HA H 67 4.360 4.814 -0.454 1
1 816 . 9 1 1 A 64 64 ILE CB C 67 40.400 39.572 0.828 1
1 829 . 9 1 1 A 64 64 ILE C C 67 175.300 175.278 0.022 1
1 830 . 9 1 1 A 65 65 ARG N N 68 126.900 127.895 -0.995 1
1 831 . 9 1 1 A 65 65 ARG H H 68 9.020 8.794 0.226 1
1 832 . 9 1 1 A 65 65 ARG CA C 68 57.200 56.124 1.076 1
1 833 . 9 1 1 A 65 65 ARG HA H 68 4.480 4.577 -0.097 1
1 834 . 9 1 1 A 65 65 ARG CB C 68 30.500 30.860 -0.360 1
1 843 . 9 1 1 A 65 65 ARG C C 68 176.800 175.394 1.406 1
1 844 . 9 1 1 A 66 66 VAL N N 69 122.300 123.282 -0.982 1
1 845 . 9 1 1 A 66 66 VAL H H 69 8.280 8.920 -0.640 1
1 846 . 9 1 1 A 66 66 VAL CA C 69 62.200 60.361 1.839 1
1 847 . 9 1 1 A 66 66 VAL HA H 69 4.100 4.750 -0.650 1
1 848 . 9 1 1 A 66 66 VAL CB C 69 32.800 33.922 -1.122 1
1 858 . 9 1 1 A 66 66 VAL C C 69 175.500 174.270 1.230 1
1 859 . 9 1 1 A 67 67 ILE N N 70 124.000 130.582 -6.582 1
1 860 . 9 1 1 A 67 67 ILE H H 70 7.930 9.165 -1.235 1
1 861 . 9 1 1 A 67 67 ILE CA C 70 60.300 60.600 -0.300 1
1 862 . 9 1 1 A 67 67 ILE HA H 70 4.210 4.736 -0.526 1
1 863 . 9 1 1 A 67 67 ILE CB C 70 38.900 37.326 1.574 1
1 876 . 9 1 1 A 67 67 ILE C C 70 175.500 174.538 0.962 1
1 877 . 9 1 1 A 68 68 TYR N N 71 126.200 128.771 -2.571 1
1 878 . 9 1 1 A 68 68 TYR H H 71 8.450 9.006 -0.556 1
1 879 . 9 1 1 A 68 68 TYR CA C 71 57.900 55.586 2.314 1
1 880 . 9 1 1 A 68 68 TYR HA H 71 4.590 5.155 -0.565 1
1 881 . 9 1 1 A 68 68 TYR CB C 71 39.000 40.704 -1.704 1
1 886 . 9 1 1 A 68 68 TYR C C 71 176.200 175.622 0.578 1
1 887 . 9 1 1 A 69 69 GLY N N 72 112.000 114.035 -2.035 1
1 888 . 9 1 1 A 69 69 GLY H H 72 8.370 8.329 0.041 1
1 889 . 9 1 1 A 69 69 GLY CA C 72 45.300 46.168 -0.868 1
1 890 . 9 1 1 A 69 69 GLY HA2 H 72 3.910 3.679 0.231 1
1 891 . 9 1 1 A 69 69 GLY HA3 H 72 3.910 3.764 0.146 1
1 892 . 9 1 1 A 69 69 GLY C C 72 173.500 174.214 -0.714 1
1 10 . 10 1 1 A 2 2 VAL N N 5 122.400 121.769 0.631 1
1 11 . 10 1 1 A 2 2 VAL H H 5 8.290 8.691 -0.401 1
1 12 . 10 1 1 A 2 2 VAL CA C 5 62.400 61.652 0.748 1
1 13 . 10 1 1 A 2 2 VAL HA H 5 4.120 4.568 -0.448 1
1 14 . 10 1 1 A 2 2 VAL CB C 5 32.600 32.527 0.073 1
1 24 . 10 1 1 A 2 2 VAL C C 5 175.700 174.843 0.857 1
1 25 . 10 1 1 A 3 3 ILE N N 6 125.000 128.578 -3.578 1
1 26 . 10 1 1 A 3 3 ILE H H 6 8.240 8.923 -0.683 1
1 27 . 10 1 1 A 3 3 ILE CA C 6 60.900 60.309 0.591 1
1 28 . 10 1 1 A 3 3 ILE HA H 6 4.210 4.636 -0.426 1
1 29 . 10 1 1 A 3 3 ILE CB C 6 38.700 38.471 0.229 1
1 42 . 10 1 1 A 3 3 ILE C C 6 176.000 176.254 -0.254 1
1 43 . 10 1 1 A 4 4 GLY N N 7 112.900 112.704 0.196 1
1 44 . 10 1 1 A 4 4 GLY H H 7 8.330 8.384 -0.054 1
1 45 . 10 1 1 A 4 4 GLY CA C 7 45.300 44.061 1.239 1
1 46 . 10 1 1 A 4 4 GLY HA2 H 7 4.140 4.142 -0.002 1
1 47 . 10 1 1 A 4 4 GLY HA3 H 7 4.020 4.143 -0.123 1
1 48 . 10 1 1 A 4 4 GLY C C 7 172.800 172.217 0.583 1
1 49 . 10 1 1 A 5 5 MET N N 8 118.400 116.377 2.023 1
1 50 . 10 1 1 A 5 5 MET H H 8 8.540 8.269 0.271 1
1 51 . 10 1 1 A 5 5 MET CA C 8 54.800 54.796 0.004 1
1 52 . 10 1 1 A 5 5 MET HA H 8 4.820 5.181 -0.361 1
1 53 . 10 1 1 A 5 5 MET CB C 8 35.500 35.453 0.047 1
1 63 . 10 1 1 A 5 5 MET C C 8 174.100 173.613 0.487 1
1 64 . 10 1 1 A 6 6 LYS N N 9 122.000 119.324 2.676 1
1 65 . 10 1 1 A 6 6 LYS H H 9 9.150 8.257 0.893 1
1 66 . 10 1 1 A 6 6 LYS CA C 9 55.100 54.746 0.354 1
1 67 . 10 1 1 A 6 6 LYS HA H 9 5.430 5.215 0.215 1
1 68 . 10 1 1 A 6 6 LYS CB C 9 36.100 35.718 0.382 1
1 80 . 10 1 1 A 6 6 LYS C C 9 174.500 175.723 -1.223 1
1 81 . 10 1 1 A 7 7 PHE N N 10 119.300 118.824 0.476 1
1 82 . 10 1 1 A 7 7 PHE H H 10 8.670 8.669 0.001 1
1 83 . 10 1 1 A 7 7 PHE CA C 10 55.700 56.117 -0.417 1
1 84 . 10 1 1 A 7 7 PHE HA H 10 5.190 5.265 -0.075 1
1 85 . 10 1 1 A 7 7 PHE CB C 10 40.100 41.621 -1.521 1
1 92 . 10 1 1 A 7 7 PHE C C 10 172.400 171.993 0.407 1
1 93 . 10 1 1 A 8 8 THR N N 11 116.500 116.144 0.356 1
1 94 . 10 1 1 A 8 8 THR H H 11 8.440 8.666 -0.226 1
1 95 . 10 1 1 A 8 8 THR CA C 11 62.200 60.049 2.151 1
1 96 . 10 1 1 A 8 8 THR HA H 11 5.070 5.275 -0.205 1
1 97 . 10 1 1 A 8 8 THR CB C 11 70.800 71.287 -0.487 1
1 103 . 10 1 1 A 8 8 THR C C 11 173.300 172.798 0.502 1
1 104 . 10 1 1 A 9 9 VAL N N 12 126.200 126.076 0.124 1
1 105 . 10 1 1 A 9 9 VAL H H 12 9.400 9.374 0.026 1
1 106 . 10 1 1 A 9 9 VAL CA C 12 60.700 60.050 0.650 1
1 107 . 10 1 1 A 9 9 VAL HA H 12 5.090 5.618 -0.528 1
1 108 . 10 1 1 A 9 9 VAL CB C 12 34.100 34.804 -0.704 1
1 118 . 10 1 1 A 9 9 VAL C C 12 174.500 173.103 1.397 1
1 119 . 10 1 1 A 10 10 ILE N N 13 129.600 129.864 -0.264 1
1 120 . 10 1 1 A 10 10 ILE H H 13 9.560 8.534 1.026 1
1 121 . 10 1 1 A 10 10 ILE CA C 13 61.400 60.366 1.034 1
1 122 . 10 1 1 A 10 10 ILE HA H 13 4.640 4.695 -0.055 1
1 123 . 10 1 1 A 10 10 ILE CB C 13 39.700 39.660 0.040 1
1 136 . 10 1 1 A 10 10 ILE C C 13 175.200 174.413 0.787 1
1 137 . 10 1 1 A 11 11 THR N N 14 116.800 124.247 -7.447 1
1 138 . 10 1 1 A 11 11 THR H H 14 8.430 9.025 -0.595 1
1 139 . 10 1 1 A 11 11 THR CA C 14 59.200 60.895 -1.695 1
1 140 . 10 1 1 A 11 11 THR HA H 14 5.160 4.762 0.398 1
1 141 . 10 1 1 A 11 11 THR CB C 14 71.900 72.140 -0.240 1
1 147 . 10 1 1 A 11 11 THR C C 14 175.800 174.470 1.330 1
1 148 . 10 1 1 A 12 12 ASP N N 15 120.000 122.701 -2.701 1
1 149 . 10 1 1 A 12 12 ASP H H 15 9.010 8.923 0.087 1
1 150 . 10 1 1 A 12 12 ASP CA C 15 56.900 58.085 -1.185 1
1 151 . 10 1 1 A 12 12 ASP HA H 15 4.440 4.362 0.078 1
1 152 . 10 1 1 A 12 12 ASP CB C 15 40.900 40.383 0.517 1
1 155 . 10 1 1 A 12 12 ASP C C 15 176.600 176.901 -0.301 1
1 156 . 10 1 1 A 13 13 ASP N N 16 115.300 114.655 0.645 1
1 157 . 10 1 1 A 13 13 ASP H H 16 8.090 8.003 0.087 1
1 158 . 10 1 1 A 13 13 ASP CA C 16 53.400 53.212 0.188 1
1 159 . 10 1 1 A 13 13 ASP HA H 16 4.730 4.525 0.205 1
1 160 . 10 1 1 A 13 13 ASP CB C 16 41.800 39.995 1.805 1
1 163 . 10 1 1 A 13 13 ASP C C 16 175.700 175.851 -0.151 1
1 164 . 10 1 1 A 14 14 GLY N N 17 108.000 107.788 0.212 1
1 165 . 10 1 1 A 14 14 GLY H H 17 7.610 7.116 0.494 1
1 166 . 10 1 1 A 14 14 GLY CA C 17 44.900 44.004 0.896 1
1 167 . 10 1 1 A 14 14 GLY HA2 H 17 4.450 4.062 0.388 1
1 168 . 10 1 1 A 14 14 GLY HA3 H 17 3.860 4.066 -0.206 1
1 169 . 10 1 1 A 14 14 GLY C C 17 171.800 171.894 -0.094 1
1 170 . 10 1 1 A 15 15 LYS N N 18 120.600 120.992 -0.392 1
1 171 . 10 1 1 A 15 15 LYS H H 18 8.430 8.400 0.030 1
1 172 . 10 1 1 A 15 15 LYS CA C 18 55.400 54.963 0.437 1
1 173 . 10 1 1 A 15 15 LYS HA H 18 5.080 5.033 0.047 1
1 174 . 10 1 1 A 15 15 LYS CB C 18 34.600 34.487 0.113 1
1 186 . 10 1 1 A 15 15 LYS C C 18 175.600 175.407 0.193 1
1 187 . 10 1 1 A 16 16 LYS N N 19 125.700 126.361 -0.661 1
1 188 . 10 1 1 A 16 16 LYS H H 19 9.160 9.156 0.004 1
1 189 . 10 1 1 A 16 16 LYS CA C 19 55.000 54.631 0.369 1
1 190 . 10 1 1 A 16 16 LYS HA H 19 4.620 4.942 -0.322 1
1 191 . 10 1 1 A 16 16 LYS CB C 19 36.100 34.920 1.180 1
1 201 . 10 1 1 A 16 16 LYS C C 19 174.000 174.632 -0.632 1
1 202 . 10 1 1 A 17 17 ILE N N 20 123.800 122.846 0.954 1
1 203 . 10 1 1 A 17 17 ILE H H 20 8.420 8.784 -0.364 1
1 204 . 10 1 1 A 17 17 ILE CA C 20 60.400 59.812 0.588 1
1 205 . 10 1 1 A 17 17 ILE HA H 20 4.620 5.031 -0.411 1
1 206 . 10 1 1 A 17 17 ILE CB C 20 37.900 40.808 -2.908 1
1 219 . 10 1 1 A 17 17 ILE C C 20 175.700 174.688 1.012 1
1 220 . 10 1 1 A 18 18 LEU N N 21 130.500 125.119 5.381 1
1 221 . 10 1 1 A 18 18 LEU H H 21 8.600 8.697 -0.097 1
1 222 . 10 1 1 A 18 18 LEU CA C 21 53.500 52.804 0.696 1
1 223 . 10 1 1 A 18 18 LEU HA H 21 4.490 5.186 -0.696 1
1 224 . 10 1 1 A 18 18 LEU CB C 21 44.500 45.947 -1.447 1
1 236 . 10 1 1 A 18 18 LEU C C 21 174.000 174.420 -0.420 1
1 237 . 10 1 1 A 19 19 GLU N N 22 116.200 119.691 -3.491 1
1 238 . 10 1 1 A 19 19 GLU H H 22 7.940 8.521 -0.581 1
1 239 . 10 1 1 A 19 19 GLU CA C 22 53.800 54.539 -0.739 1
1 240 . 10 1 1 A 19 19 GLU HA H 22 5.280 5.230 0.050 1
1 241 . 10 1 1 A 19 19 GLU CB C 22 33.400 33.638 -0.238 1
1 247 . 10 1 1 A 19 19 GLU C C 22 176.600 174.073 2.527 1
1 248 . 10 1 1 A 20 20 SER N N 23 114.700 120.566 -5.866 1
1 249 . 10 1 1 A 20 20 SER H H 23 8.630 8.957 -0.327 1
1 250 . 10 1 1 A 20 20 SER CA C 23 57.400 56.045 1.355 1
1 251 . 10 1 1 A 20 20 SER HA H 23 4.780 4.987 -0.207 1
1 252 . 10 1 1 A 20 20 SER CB C 23 65.900 65.024 0.876 1
1 255 . 10 1 1 A 20 20 SER C C 23 174.100 175.455 -1.355 1
1 256 . 10 1 1 A 21 21 GLY N N 24 109.400 113.443 -4.043 1
1 257 . 10 1 1 A 21 21 GLY H H 24 8.340 8.688 -0.348 1
1 258 . 10 1 1 A 21 21 GLY CA C 24 45.100 46.208 -1.108 1
1 259 . 10 1 1 A 21 21 GLY HA2 H 24 4.470 3.847 0.623 1
1 260 . 10 1 1 A 21 21 GLY HA3 H 24 3.790 3.850 -0.060 1
1 261 . 10 1 1 A 21 21 GLY C C 24 172.600 173.995 -1.395 1
1 262 . 10 1 1 A 22 22 ALA N N 25 122.500 121.797 0.703 1
1 263 . 10 1 1 A 22 22 ALA H H 25 7.790 7.676 0.114 1
1 264 . 10 1 1 A 22 22 ALA CA C 25 49.900 49.784 0.116 1
1 265 . 10 1 1 A 22 22 ALA HA H 25 4.780 4.825 -0.045 1
1 269 . 10 1 1 A 22 22 ALA CB C 25 20.600 21.669 -1.069 1
1 271 . 10 1 1 A 23 23 PRO CA C 26 63.700 63.358 0.342 1
1 272 . 10 1 1 A 23 23 PRO HA H 26 4.400 4.512 -0.112 1
1 273 . 10 1 1 A 23 23 PRO CB C 26 31.900 31.890 0.010 1
1 281 . 10 1 1 A 23 23 PRO C C 26 176.500 175.854 0.646 1
1 282 . 10 1 1 A 24 24 ARG N N 27 120.200 123.949 -3.749 1
1 283 . 10 1 1 A 24 24 ARG H H 27 7.810 8.564 -0.754 1
1 284 . 10 1 1 A 24 24 ARG CA C 27 53.800 54.543 -0.743 1
1 285 . 10 1 1 A 24 24 ARG HA H 27 4.680 4.806 -0.126 1
1 286 . 10 1 1 A 24 24 ARG CB C 27 35.600 33.304 2.296 1
1 295 . 10 1 1 A 24 24 ARG C C 27 174.300 174.335 -0.035 1
1 296 . 10 1 1 A 25 25 ARG N N 28 119.300 122.076 -2.776 1
1 297 . 10 1 1 A 25 25 ARG H H 28 8.900 9.188 -0.288 1
1 298 . 10 1 1 A 25 25 ARG CA C 28 54.200 55.126 -0.926 1
1 299 . 10 1 1 A 25 25 ARG HA H 28 4.870 4.439 0.431 1
1 300 . 10 1 1 A 25 25 ARG CB C 28 32.200 32.029 0.171 1
1 309 . 10 1 1 A 25 25 ARG C C 28 178.300 177.271 1.029 1
1 310 . 10 1 1 A 26 26 ILE N N 29 123.500 124.684 -1.184 1
1 311 . 10 1 1 A 26 26 ILE H H 29 8.630 9.304 -0.674 1
1 312 . 10 1 1 A 26 26 ILE CA C 29 65.200 64.772 0.428 1
1 313 . 10 1 1 A 26 26 ILE HA H 29 3.410 3.595 -0.185 1
1 314 . 10 1 1 A 26 26 ILE CB C 29 36.500 37.255 -0.755 1
1 327 . 10 1 1 A 26 26 ILE C C 29 178.600 178.094 0.506 1
1 328 . 10 1 1 A 27 27 LYS N N 30 115.100 121.179 -6.079 1
1 329 . 10 1 1 A 27 27 LYS H H 30 8.900 7.781 1.119 1
1 330 . 10 1 1 A 27 27 LYS CA C 30 59.300 59.044 0.256 1
1 331 . 10 1 1 A 27 27 LYS HA H 30 3.900 3.955 -0.055 1
1 332 . 10 1 1 A 27 27 LYS CB C 30 31.700 32.068 -0.368 1
1 344 . 10 1 1 A 27 27 LYS C C 30 178.000 178.338 -0.338 1
1 345 . 10 1 1 A 28 28 ASP N N 31 119.700 118.696 1.004 1
1 346 . 10 1 1 A 28 28 ASP H H 31 7.180 7.819 -0.639 1
1 347 . 10 1 1 A 28 28 ASP CA C 31 56.900 57.028 -0.128 1
1 348 . 10 1 1 A 28 28 ASP HA H 31 4.480 4.447 0.033 1
1 349 . 10 1 1 A 28 28 ASP CB C 31 41.300 40.866 0.434 1
1 352 . 10 1 1 A 28 28 ASP C C 31 178.600 178.864 -0.264 1
1 353 . 10 1 1 A 29 29 VAL N N 32 122.100 120.072 2.028 1
1 354 . 10 1 1 A 29 29 VAL H H 32 7.410 7.731 -0.321 1
1 355 . 10 1 1 A 29 29 VAL CA C 32 65.900 66.693 -0.793 1
1 356 . 10 1 1 A 29 29 VAL HA H 32 3.730 3.597 0.133 1
1 357 . 10 1 1 A 29 29 VAL CB C 32 32.000 31.590 0.410 1
1 367 . 10 1 1 A 29 29 VAL C C 32 177.600 177.860 -0.260 1
1 368 . 10 1 1 A 30 30 LEU N N 33 118.000 118.776 -0.776 1
1 369 . 10 1 1 A 30 30 LEU H H 33 8.380 8.263 0.117 1
1 370 . 10 1 1 A 30 30 LEU CA C 33 58.500 57.811 0.689 1
1 371 . 10 1 1 A 30 30 LEU HA H 33 3.910 4.001 -0.091 1
1 372 . 10 1 1 A 30 30 LEU CB C 33 39.200 41.566 -2.366 1
1 385 . 10 1 1 A 30 30 LEU C C 33 179.200 179.276 -0.076 1
1 386 . 10 1 1 A 31 31 GLY N N 34 104.500 107.005 -2.505 1
1 387 . 10 1 1 A 31 31 GLY H H 34 7.730 8.253 -0.523 1
1 388 . 10 1 1 A 31 31 GLY CA C 34 47.100 47.227 -0.127 1
1 389 . 10 1 1 A 31 31 GLY HA2 H 34 3.940 3.757 0.183 1
1 390 . 10 1 1 A 31 31 GLY HA3 H 34 3.940 3.759 0.181 1
1 391 . 10 1 1 A 31 31 GLY C C 34 177.500 175.831 1.669 1
1 392 . 10 1 1 A 32 32 GLU N N 35 124.300 121.844 2.456 1
1 393 . 10 1 1 A 32 32 GLU H H 35 7.750 8.370 -0.620 1
1 394 . 10 1 1 A 32 32 GLU CA C 35 59.100 59.166 -0.066 1
1 395 . 10 1 1 A 32 32 GLU HA H 35 4.130 4.037 0.093 1
1 396 . 10 1 1 A 32 32 GLU CB C 35 29.800 29.670 0.130 1
1 402 . 10 1 1 A 32 32 GLU C C 35 178.300 178.317 -0.017 1
1 403 . 10 1 1 A 33 33 LEU N N 36 117.300 118.243 -0.943 1
1 404 . 10 1 1 A 33 33 LEU H H 36 7.750 7.616 0.134 1
1 405 . 10 1 1 A 33 33 LEU CA C 36 55.000 54.990 0.010 1
1 406 . 10 1 1 A 33 33 LEU HA H 36 4.270 4.248 0.022 1
1 407 . 10 1 1 A 33 33 LEU CB C 36 42.100 42.412 -0.312 1
1 420 . 10 1 1 A 33 33 LEU C C 36 175.200 176.680 -1.480 1
1 421 . 10 1 1 A 34 34 GLU N N 37 115.500 118.602 -3.102 1
1 422 . 10 1 1 A 34 34 GLU H H 37 7.780 7.946 -0.166 1
1 423 . 10 1 1 A 34 34 GLU CA C 37 57.200 57.892 -0.692 1
1 424 . 10 1 1 A 34 34 GLU HA H 37 3.830 3.912 -0.082 1
1 425 . 10 1 1 A 34 34 GLU CB C 37 26.700 29.198 -2.498 1
1 431 . 10 1 1 A 34 34 GLU C C 37 175.300 175.146 0.154 1
1 432 . 10 1 1 A 35 35 ILE N N 38 121.300 121.118 0.182 1
1 433 . 10 1 1 A 35 35 ILE H H 38 8.010 7.526 0.484 1
1 434 . 10 1 1 A 35 35 ILE CA C 38 58.300 59.555 -1.255 1
1 435 . 10 1 1 A 35 35 ILE HA H 38 4.410 4.167 0.243 1
1 436 . 10 1 1 A 35 35 ILE CB C 38 40.300 38.508 1.792 1
1 450 . 10 1 1 A 36 36 PRO CA C 39 62.400 62.952 -0.552 1
1 451 . 10 1 1 A 36 36 PRO HA H 39 4.470 4.595 -0.125 1
1 452 . 10 1 1 A 36 36 PRO CB C 39 31.600 31.706 -0.106 1
1 460 . 10 1 1 A 36 36 PRO C C 39 179.200 177.602 1.598 1
1 461 . 10 1 1 A 37 37 ILE N N 40 127.500 125.852 1.648 1
1 462 . 10 1 1 A 37 37 ILE H H 40 8.350 8.866 -0.516 1
1 463 . 10 1 1 A 37 37 ILE CA C 40 63.700 63.101 0.599 1
1 464 . 10 1 1 A 37 37 ILE HA H 40 3.750 4.018 -0.268 1
1 465 . 10 1 1 A 37 37 ILE CB C 40 38.600 38.163 0.437 1
1 478 . 10 1 1 A 37 37 ILE C C 40 176.100 176.982 -0.882 1
1 479 . 10 1 1 A 38 38 GLU N N 41 118.500 121.663 -3.163 1
1 480 . 10 1 1 A 38 38 GLU H H 41 9.370 8.153 1.217 1
1 481 . 10 1 1 A 38 38 GLU CA C 41 58.400 59.538 -1.138 1
1 482 . 10 1 1 A 38 38 GLU HA H 41 4.330 3.984 0.346 1
1 483 . 10 1 1 A 38 38 GLU CB C 41 28.500 29.495 -0.995 1
1 489 . 10 1 1 A 38 38 GLU C C 41 177.600 178.171 -0.571 1
1 490 . 10 1 1 A 39 39 THR N N 42 107.400 113.713 -6.313 1
1 491 . 10 1 1 A 39 39 THR H H 42 7.810 7.315 0.495 1
1 492 . 10 1 1 A 39 39 THR CA C 42 61.600 63.755 -2.155 1
1 493 . 10 1 1 A 39 39 THR HA H 42 4.520 4.293 0.227 1
1 494 . 10 1 1 A 39 39 THR CB C 42 70.300 69.303 0.997 1
1 500 . 10 1 1 A 39 39 THR C C 42 174.000 174.130 -0.130 1
1 501 . 10 1 1 A 40 40 VAL N N 43 112.000 118.008 -6.008 1
1 502 . 10 1 1 A 40 40 VAL H H 43 7.230 7.354 -0.124 1
1 503 . 10 1 1 A 40 40 VAL CA C 43 59.100 58.919 0.181 1
1 504 . 10 1 1 A 40 40 VAL HA H 43 5.420 4.921 0.499 1
1 505 . 10 1 1 A 40 40 VAL CB C 43 36.400 35.110 1.290 1
1 515 . 10 1 1 A 40 40 VAL C C 43 175.200 174.518 0.682 1
1 516 . 10 1 1 A 41 41 VAL N N 44 120.400 121.872 -1.472 1
1 517 . 10 1 1 A 41 41 VAL H H 44 9.080 8.958 0.122 1
1 518 . 10 1 1 A 41 41 VAL CA C 44 61.500 61.269 0.231 1
1 519 . 10 1 1 A 41 41 VAL HA H 44 4.230 4.612 -0.382 1
1 520 . 10 1 1 A 41 41 VAL CB C 44 34.600 33.700 0.900 1
1 530 . 10 1 1 A 41 41 VAL C C 44 174.000 174.972 -0.972 1
1 531 . 10 1 1 A 42 42 VAL N N 45 123.400 127.961 -4.561 1
1 532 . 10 1 1 A 42 42 VAL H H 45 8.820 8.841 -0.021 1
1 533 . 10 1 1 A 42 42 VAL CA C 45 60.000 61.016 -1.016 1
1 534 . 10 1 1 A 42 42 VAL HA H 45 5.120 4.652 0.468 1
1 535 . 10 1 1 A 42 42 VAL CB C 45 34.300 33.555 0.745 1
1 545 . 10 1 1 A 42 42 VAL C C 45 174.700 175.031 -0.331 1
1 546 . 10 1 1 A 43 43 LYS N N 46 121.700 126.152 -4.452 1
1 547 . 10 1 1 A 43 43 LYS H H 46 8.920 8.917 0.003 1
1 548 . 10 1 1 A 43 43 LYS CA C 46 53.800 54.169 -0.369 1
1 549 . 10 1 1 A 43 43 LYS HA H 46 5.180 5.393 -0.213 1
1 550 . 10 1 1 A 43 43 LYS CB C 46 36.900 35.713 1.187 1
1 562 . 10 1 1 A 43 43 LYS C C 46 175.600 175.475 0.125 1
1 563 . 10 1 1 A 44 44 LYS N N 47 122.300 122.622 -0.322 1
1 564 . 10 1 1 A 44 44 LYS H H 47 9.240 9.108 0.132 1
1 565 . 10 1 1 A 44 44 LYS CA C 47 54.400 54.883 -0.483 1
1 566 . 10 1 1 A 44 44 LYS HA H 47 5.190 4.771 0.419 1
1 567 . 10 1 1 A 44 44 LYS CB C 47 36.100 33.575 2.525 1
1 578 . 10 1 1 A 44 44 LYS C C 47 176.000 176.878 -0.878 1
1 579 . 10 1 1 A 45 45 ASN N N 48 129.600 122.779 6.821 1
1 580 . 10 1 1 A 45 45 ASN H H 48 9.980 9.832 0.148 1
1 581 . 10 1 1 A 45 45 ASN CA C 48 54.300 54.256 0.044 1
1 582 . 10 1 1 A 45 45 ASN HA H 48 4.490 4.435 0.055 1
1 583 . 10 1 1 A 45 45 ASN CB C 48 37.200 37.639 -0.439 1
1 589 . 10 1 1 A 45 45 ASN C C 48 175.800 174.587 1.213 1
1 590 . 10 1 1 A 46 46 GLY N N 49 103.200 105.323 -2.123 1
1 591 . 10 1 1 A 46 46 GLY H H 49 9.340 8.444 0.896 1
1 592 . 10 1 1 A 46 46 GLY CA C 49 45.200 45.220 -0.020 1
1 593 . 10 1 1 A 46 46 GLY HA2 H 49 4.300 4.103 0.197 1
1 594 . 10 1 1 A 46 46 GLY HA3 H 49 3.650 4.104 -0.454 1
1 595 . 10 1 1 A 46 46 GLY C C 49 173.600 174.527 -0.927 1
1 596 . 10 1 1 A 47 47 GLN N N 50 119.700 119.947 -0.247 1
1 597 . 10 1 1 A 47 47 GLN H H 50 7.690 7.679 0.011 1
1 598 . 10 1 1 A 47 47 GLN CA C 50 53.500 55.705 -2.205 1
1 599 . 10 1 1 A 47 47 GLN HA H 50 4.770 4.476 0.294 1
1 600 . 10 1 1 A 47 47 GLN CB C 50 31.300 29.773 1.527 1
1 606 . 10 1 1 A 47 47 GLN C C 50 175.000 175.438 -0.438 1
1 607 . 10 1 1 A 48 48 ILE N N 51 125.800 123.432 2.368 1
1 608 . 10 1 1 A 48 48 ILE H H 51 8.790 8.362 0.428 1
1 609 . 10 1 1 A 48 48 ILE CA C 51 63.000 61.327 1.673 1
1 610 . 10 1 1 A 48 48 ILE HA H 51 4.380 4.401 -0.021 1
1 611 . 10 1 1 A 48 48 ILE CB C 51 37.400 36.944 0.456 1
1 624 . 10 1 1 A 48 48 ILE C C 51 176.500 175.987 0.513 1
1 625 . 10 1 1 A 49 49 VAL N N 52 121.900 121.240 0.660 1
1 626 . 10 1 1 A 49 49 VAL H H 52 8.290 8.913 -0.623 1
1 627 . 10 1 1 A 49 49 VAL CA C 52 58.900 59.720 -0.820 1
1 628 . 10 1 1 A 49 49 VAL HA H 52 4.860 5.086 -0.226 1
1 629 . 10 1 1 A 49 49 VAL CB C 52 35.700 35.804 -0.104 1
1 639 . 10 1 1 A 50 50 ILE N N 53 114.600 116.543 -1.943 1
1 640 . 10 1 1 A 50 50 ILE H H 53 8.020 8.189 -0.169 1
1 641 . 10 1 1 A 50 50 ILE CA C 53 60.500 58.975 1.525 1
1 642 . 10 1 1 A 50 50 ILE HA H 53 4.610 4.509 0.101 1
1 643 . 10 1 1 A 50 50 ILE CB C 53 39.500 39.266 0.234 1
1 656 . 10 1 1 A 50 50 ILE C C 53 177.000 176.417 0.583 1
1 657 . 10 1 1 A 51 51 ASP N N 54 118.300 121.247 -2.947 1
1 658 . 10 1 1 A 51 51 ASP H H 54 8.390 8.926 -0.536 1
1 659 . 10 1 1 A 51 51 ASP CA C 54 56.300 55.837 0.463 1
1 660 . 10 1 1 A 51 51 ASP HA H 54 4.010 4.486 -0.476 1
1 661 . 10 1 1 A 51 51 ASP CB C 54 40.200 40.312 -0.112 1
1 664 . 10 1 1 A 51 51 ASP C C 54 176.300 176.572 -0.272 1
1 665 . 10 1 1 A 52 52 GLU N N 55 116.900 117.664 -0.764 1
1 666 . 10 1 1 A 52 52 GLU H H 55 7.100 7.894 -0.794 1
1 667 . 10 1 1 A 52 52 GLU CA C 55 56.000 56.881 -0.881 1
1 668 . 10 1 1 A 52 52 GLU HA H 55 4.200 4.367 -0.167 1
1 669 . 10 1 1 A 52 52 GLU CB C 55 30.000 29.948 0.052 1
1 675 . 10 1 1 A 52 52 GLU C C 55 175.700 176.562 -0.862 1
1 676 . 10 1 1 A 53 53 GLU N N 56 120.300 120.905 -0.605 1
1 677 . 10 1 1 A 53 53 GLU H H 56 7.570 7.440 0.130 1
1 678 . 10 1 1 A 53 53 GLU CA C 56 57.400 55.936 1.464 1
1 679 . 10 1 1 A 53 53 GLU HA H 56 4.090 4.339 -0.249 1
1 680 . 10 1 1 A 53 53 GLU CB C 56 30.300 30.730 -0.430 1
1 686 . 10 1 1 A 53 53 GLU C C 56 175.400 175.702 -0.302 1
1 687 . 10 1 1 A 54 54 GLU N N 57 123.400 123.147 0.253 1
1 688 . 10 1 1 A 54 54 GLU H H 57 8.430 8.619 -0.189 1
1 689 . 10 1 1 A 54 54 GLU CA C 57 56.500 55.576 0.924 1
1 690 . 10 1 1 A 54 54 GLU HA H 57 4.320 4.529 -0.209 1
1 691 . 10 1 1 A 54 54 GLU CB C 57 32.200 31.199 1.001 1
1 697 . 10 1 1 A 54 54 GLU C C 57 174.300 175.638 -1.338 1
1 698 . 10 1 1 A 55 55 ILE N N 58 122.000 122.752 -0.752 1
1 699 . 10 1 1 A 55 55 ILE H H 58 7.850 8.719 -0.869 1
1 700 . 10 1 1 A 55 55 ILE CA C 58 60.400 60.044 0.356 1
1 701 . 10 1 1 A 55 55 ILE HA H 58 3.770 4.304 -0.534 1
1 702 . 10 1 1 A 55 55 ILE CB C 58 40.100 38.309 1.791 1
1 715 . 10 1 1 A 55 55 ILE C C 58 172.900 175.281 -2.381 1
1 716 . 10 1 1 A 56 56 PHE N N 59 124.500 127.090 -2.590 1
1 717 . 10 1 1 A 56 56 PHE H H 59 8.970 8.637 0.333 1
1 718 . 10 1 1 A 56 56 PHE CA C 59 55.900 57.590 -1.690 1
1 719 . 10 1 1 A 56 56 PHE HA H 59 4.820 4.819 0.001 1
1 720 . 10 1 1 A 56 56 PHE CB C 59 41.900 41.709 0.191 1
1 727 . 10 1 1 A 56 56 PHE C C 59 175.100 175.051 0.049 1
1 728 . 10 1 1 A 57 57 ASP N N 60 117.300 122.560 -5.260 1
1 729 . 10 1 1 A 57 57 ASP H H 60 8.320 8.873 -0.553 1
1 730 . 10 1 1 A 57 57 ASP CA C 60 56.400 55.936 0.464 1
1 731 . 10 1 1 A 57 57 ASP HA H 60 4.630 4.483 0.147 1
1 732 . 10 1 1 A 57 57 ASP CB C 60 42.700 40.486 2.214 1
1 735 . 10 1 1 A 57 57 ASP C C 60 177.900 176.948 0.952 1
1 736 . 10 1 1 A 58 58 GLY N N 61 114.600 113.983 0.617 1
1 737 . 10 1 1 A 58 58 GLY H H 61 9.700 9.461 0.239 1
1 738 . 10 1 1 A 58 58 GLY CA C 61 45.100 45.318 -0.218 1
1 739 . 10 1 1 A 58 58 GLY HA2 H 61 4.420 3.981 0.439 1
1 740 . 10 1 1 A 58 58 GLY HA3 H 61 3.770 3.989 -0.219 1
1 741 . 10 1 1 A 58 58 GLY C C 61 174.900 174.365 0.535 1
1 742 . 10 1 1 A 59 59 ASP N N 62 122.200 121.670 0.530 1
1 743 . 10 1 1 A 59 59 ASP H H 62 8.350 7.988 0.362 1
1 744 . 10 1 1 A 59 59 ASP CA C 62 55.900 54.291 1.609 1
1 745 . 10 1 1 A 59 59 ASP HA H 62 4.940 4.804 0.136 1
1 746 . 10 1 1 A 59 59 ASP CB C 62 42.500 42.371 0.129 1
1 749 . 10 1 1 A 59 59 ASP C C 62 176.000 175.604 0.396 1
1 750 . 10 1 1 A 60 60 ILE N N 63 119.100 123.985 -4.885 1
1 751 . 10 1 1 A 60 60 ILE H H 63 8.400 8.496 -0.096 1
1 752 . 10 1 1 A 60 60 ILE CA C 63 60.700 60.592 0.108 1
1 753 . 10 1 1 A 60 60 ILE HA H 63 4.690 4.827 -0.137 1
1 754 . 10 1 1 A 60 60 ILE CB C 63 39.700 40.300 -0.600 1
1 767 . 10 1 1 A 60 60 ILE C C 63 175.400 174.488 0.912 1
1 768 . 10 1 1 A 61 61 ILE N N 64 130.300 129.002 1.298 1
1 769 . 10 1 1 A 61 61 ILE H H 64 9.550 9.637 -0.087 1
1 770 . 10 1 1 A 61 61 ILE CA C 64 58.300 60.350 -2.050 1
1 771 . 10 1 1 A 61 61 ILE HA H 64 5.230 5.045 0.185 1
1 772 . 10 1 1 A 61 61 ILE CB C 64 38.700 39.446 -0.746 1
1 785 . 10 1 1 A 61 61 ILE C C 64 174.400 174.761 -0.361 1
1 786 . 10 1 1 A 62 62 GLU N N 65 126.800 127.736 -0.936 1
1 787 . 10 1 1 A 62 62 GLU H H 65 9.340 8.879 0.461 1
1 788 . 10 1 1 A 62 62 GLU CA C 65 54.500 55.367 -0.867 1
1 789 . 10 1 1 A 62 62 GLU HA H 65 5.080 4.893 0.187 1
1 790 . 10 1 1 A 62 62 GLU CB C 65 33.300 31.082 2.218 1
1 796 . 10 1 1 A 62 62 GLU C C 65 174.300 175.462 -1.162 1
1 797 . 10 1 1 A 63 63 VAL N N 66 124.300 125.982 -1.682 1
1 798 . 10 1 1 A 63 63 VAL H H 66 8.710 8.678 0.032 1
1 799 . 10 1 1 A 63 63 VAL CA C 66 61.900 62.018 -0.118 1
1 800 . 10 1 1 A 63 63 VAL HA H 66 4.420 4.659 -0.239 1
1 801 . 10 1 1 A 63 63 VAL CB C 66 32.600 31.963 0.637 1
1 811 . 10 1 1 A 63 63 VAL C C 66 175.300 174.986 0.314 1
1 812 . 10 1 1 A 64 64 ILE N N 67 131.200 128.723 2.477 1
1 813 . 10 1 1 A 64 64 ILE H H 67 9.180 9.575 -0.395 1
1 814 . 10 1 1 A 64 64 ILE CA C 67 60.200 60.556 -0.356 1
1 815 . 10 1 1 A 64 64 ILE HA H 67 4.360 4.609 -0.249 1
1 816 . 10 1 1 A 64 64 ILE CB C 67 40.400 37.207 3.193 1
1 829 . 10 1 1 A 64 64 ILE C C 67 175.300 175.842 -0.542 1
1 830 . 10 1 1 A 65 65 ARG N N 68 126.900 127.367 -0.467 1
1 831 . 10 1 1 A 65 65 ARG H H 68 9.020 8.386 0.634 1
1 832 . 10 1 1 A 65 65 ARG CA C 68 57.200 56.212 0.988 1
1 833 . 10 1 1 A 65 65 ARG HA H 68 4.480 4.257 0.223 1
1 834 . 10 1 1 A 65 65 ARG CB C 68 30.500 30.356 0.144 1
1 843 . 10 1 1 A 65 65 ARG C C 68 176.800 175.752 1.048 1
1 844 . 10 1 1 A 66 66 VAL N N 69 122.300 119.759 2.541 1
1 845 . 10 1 1 A 66 66 VAL H H 69 8.280 8.425 -0.145 1
1 846 . 10 1 1 A 66 66 VAL CA C 69 62.200 61.726 0.474 1
1 847 . 10 1 1 A 66 66 VAL HA H 69 4.100 4.357 -0.257 1
1 848 . 10 1 1 A 66 66 VAL CB C 69 32.800 33.052 -0.252 1
1 858 . 10 1 1 A 66 66 VAL C C 69 175.500 175.276 0.224 1
1 859 . 10 1 1 A 67 67 ILE N N 70 124.000 126.556 -2.556 1
1 860 . 10 1 1 A 67 67 ILE H H 70 7.930 8.668 -0.738 1
1 861 . 10 1 1 A 67 67 ILE CA C 70 60.300 62.139 -1.839 1
1 862 . 10 1 1 A 67 67 ILE HA H 70 4.210 4.147 0.063 1
1 863 . 10 1 1 A 67 67 ILE CB C 70 38.900 38.278 0.622 1
1 876 . 10 1 1 A 67 67 ILE C C 70 175.500 176.358 -0.858 1
1 877 . 10 1 1 A 68 68 TYR N N 71 126.200 129.376 -3.176 1
1 878 . 10 1 1 A 68 68 TYR H H 71 8.450 9.018 -0.568 1
1 879 . 10 1 1 A 68 68 TYR CA C 71 57.900 59.320 -1.420 1
1 880 . 10 1 1 A 68 68 TYR HA H 71 4.590 4.454 0.136 1
1 881 . 10 1 1 A 68 68 TYR CB C 71 39.000 38.014 0.986 1
1 886 . 10 1 1 A 68 68 TYR C C 71 176.200 174.951 1.249 1
1 887 . 10 1 1 A 69 69 GLY N N 72 112.000 108.661 3.339 1
1 888 . 10 1 1 A 69 69 GLY H H 72 8.370 7.691 0.679 1
1 889 . 10 1 1 A 69 69 GLY CA C 72 45.300 45.147 0.153 1
1 890 . 10 1 1 A 69 69 GLY HA2 H 72 3.910 3.751 0.159 1
1 891 . 10 1 1 A 69 69 GLY HA3 H 72 3.910 3.862 0.048 1
1 892 . 10 1 1 A 69 69 GLY C C 72 173.500 173.391 0.109 1
1 10 . 11 1 1 A 2 2 VAL N N 5 122.400 125.656 -3.256 1
1 11 . 11 1 1 A 2 2 VAL H H 5 8.290 9.017 -0.727 1
1 12 . 11 1 1 A 2 2 VAL CA C 5 62.400 62.542 -0.142 1
1 13 . 11 1 1 A 2 2 VAL HA H 5 4.120 4.267 -0.147 1
1 14 . 11 1 1 A 2 2 VAL CB C 5 32.600 31.234 1.366 1
1 24 . 11 1 1 A 2 2 VAL C C 5 175.700 175.348 0.352 1
1 25 . 11 1 1 A 3 3 ILE N N 6 125.000 128.018 -3.018 1
1 26 . 11 1 1 A 3 3 ILE H H 6 8.240 8.840 -0.600 1
1 27 . 11 1 1 A 3 3 ILE CA C 6 60.900 59.917 0.983 1
1 28 . 11 1 1 A 3 3 ILE HA H 6 4.210 4.782 -0.572 1
1 29 . 11 1 1 A 3 3 ILE CB C 6 38.700 40.091 -1.391 1
1 42 . 11 1 1 A 3 3 ILE C C 6 176.000 176.236 -0.236 1
1 43 . 11 1 1 A 4 4 GLY N N 7 112.900 112.543 0.357 1
1 44 . 11 1 1 A 4 4 GLY H H 7 8.330 8.358 -0.028 1
1 45 . 11 1 1 A 4 4 GLY CA C 7 45.300 44.135 1.165 1
1 46 . 11 1 1 A 4 4 GLY HA2 H 7 4.140 4.102 0.038 1
1 47 . 11 1 1 A 4 4 GLY HA3 H 7 4.020 4.111 -0.091 1
1 48 . 11 1 1 A 4 4 GLY C C 7 172.800 172.400 0.400 1
1 49 . 11 1 1 A 5 5 MET N N 8 118.400 116.301 2.099 1
1 50 . 11 1 1 A 5 5 MET H H 8 8.540 8.051 0.489 1
1 51 . 11 1 1 A 5 5 MET CA C 8 54.800 54.604 0.196 1
1 52 . 11 1 1 A 5 5 MET HA H 8 4.820 5.255 -0.435 1
1 53 . 11 1 1 A 5 5 MET CB C 8 35.500 35.250 0.250 1
1 63 . 11 1 1 A 5 5 MET C C 8 174.100 173.775 0.325 1
1 64 . 11 1 1 A 6 6 LYS N N 9 122.000 122.329 -0.329 1
1 65 . 11 1 1 A 6 6 LYS H H 9 9.150 8.773 0.377 1
1 66 . 11 1 1 A 6 6 LYS CA C 9 55.100 54.717 0.383 1
1 67 . 11 1 1 A 6 6 LYS HA H 9 5.430 5.254 0.176 1
1 68 . 11 1 1 A 6 6 LYS CB C 9 36.100 34.987 1.113 1
1 80 . 11 1 1 A 6 6 LYS C C 9 174.500 175.377 -0.877 1
1 81 . 11 1 1 A 7 7 PHE N N 10 119.300 122.450 -3.150 1
1 82 . 11 1 1 A 7 7 PHE H H 10 8.670 8.467 0.203 1
1 83 . 11 1 1 A 7 7 PHE CA C 10 55.700 55.757 -0.057 1
1 84 . 11 1 1 A 7 7 PHE HA H 10 5.190 5.473 -0.283 1
1 85 . 11 1 1 A 7 7 PHE CB C 10 40.100 42.474 -2.374 1
1 92 . 11 1 1 A 7 7 PHE C C 10 172.400 172.292 0.108 1
1 93 . 11 1 1 A 8 8 THR N N 11 116.500 115.953 0.547 1
1 94 . 11 1 1 A 8 8 THR H H 11 8.440 8.861 -0.421 1
1 95 . 11 1 1 A 8 8 THR CA C 11 62.200 59.742 2.458 1
1 96 . 11 1 1 A 8 8 THR HA H 11 5.070 5.384 -0.314 1
1 97 . 11 1 1 A 8 8 THR CB C 11 70.800 71.459 -0.659 1
1 103 . 11 1 1 A 8 8 THR C C 11 173.300 172.520 0.780 1
1 104 . 11 1 1 A 9 9 VAL N N 12 126.200 125.658 0.542 1
1 105 . 11 1 1 A 9 9 VAL H H 12 9.400 8.929 0.471 1
1 106 . 11 1 1 A 9 9 VAL CA C 12 60.700 59.781 0.919 1
1 107 . 11 1 1 A 9 9 VAL HA H 12 5.090 5.336 -0.246 1
1 108 . 11 1 1 A 9 9 VAL CB C 12 34.100 35.351 -1.251 1
1 118 . 11 1 1 A 9 9 VAL C C 12 174.500 172.442 2.058 1
1 119 . 11 1 1 A 10 10 ILE N N 13 129.600 128.587 1.013 1
1 120 . 11 1 1 A 10 10 ILE H H 13 9.560 9.242 0.318 1
1 121 . 11 1 1 A 10 10 ILE CA C 13 61.400 59.434 1.966 1
1 122 . 11 1 1 A 10 10 ILE HA H 13 4.640 5.325 -0.685 1
1 123 . 11 1 1 A 10 10 ILE CB C 13 39.700 41.015 -1.315 1
1 136 . 11 1 1 A 10 10 ILE C C 13 175.200 175.047 0.153 1
1 137 . 11 1 1 A 11 11 THR N N 14 116.800 119.768 -2.968 1
1 138 . 11 1 1 A 11 11 THR H H 14 8.430 8.845 -0.415 1
1 139 . 11 1 1 A 11 11 THR CA C 14 59.200 60.366 -1.166 1
1 140 . 11 1 1 A 11 11 THR HA H 14 5.160 4.879 0.281 1
1 141 . 11 1 1 A 11 11 THR CB C 14 71.900 71.985 -0.085 1
1 147 . 11 1 1 A 11 11 THR C C 14 175.800 174.468 1.332 1
1 148 . 11 1 1 A 12 12 ASP N N 15 120.000 120.044 -0.044 1
1 149 . 11 1 1 A 12 12 ASP H H 15 9.010 9.112 -0.102 1
1 150 . 11 1 1 A 12 12 ASP CA C 15 56.900 56.276 0.624 1
1 151 . 11 1 1 A 12 12 ASP HA H 15 4.440 4.458 -0.018 1
1 152 . 11 1 1 A 12 12 ASP CB C 15 40.900 39.845 1.055 1
1 155 . 11 1 1 A 12 12 ASP C C 15 176.600 177.389 -0.789 1
1 156 . 11 1 1 A 13 13 ASP N N 16 115.300 117.983 -2.683 1
1 157 . 11 1 1 A 13 13 ASP H H 16 8.090 7.561 0.529 1
1 158 . 11 1 1 A 13 13 ASP CA C 16 53.400 54.040 -0.640 1
1 159 . 11 1 1 A 13 13 ASP HA H 16 4.730 4.657 0.073 1
1 160 . 11 1 1 A 13 13 ASP CB C 16 41.800 41.124 0.676 1
1 163 . 11 1 1 A 13 13 ASP C C 16 175.700 176.118 -0.418 1
1 164 . 11 1 1 A 14 14 GLY N N 17 108.000 107.154 0.846 1
1 165 . 11 1 1 A 14 14 GLY H H 17 7.610 7.327 0.283 1
1 166 . 11 1 1 A 14 14 GLY CA C 17 44.900 43.744 1.156 1
1 167 . 11 1 1 A 14 14 GLY HA2 H 17 4.450 4.056 0.394 1
1 168 . 11 1 1 A 14 14 GLY HA3 H 17 3.860 4.059 -0.199 1
1 169 . 11 1 1 A 14 14 GLY C C 17 171.800 171.929 -0.129 1
1 170 . 11 1 1 A 15 15 LYS N N 18 120.600 121.186 -0.586 1
1 171 . 11 1 1 A 15 15 LYS H H 18 8.430 8.460 -0.030 1
1 172 . 11 1 1 A 15 15 LYS CA C 18 55.400 55.042 0.358 1
1 173 . 11 1 1 A 15 15 LYS HA H 18 5.080 5.184 -0.104 1
1 174 . 11 1 1 A 15 15 LYS CB C 18 34.600 34.600 0.000 1
1 186 . 11 1 1 A 15 15 LYS C C 18 175.600 175.362 0.238 1
1 187 . 11 1 1 A 16 16 LYS N N 19 125.700 126.320 -0.620 1
1 188 . 11 1 1 A 16 16 LYS H H 19 9.160 9.235 -0.075 1
1 189 . 11 1 1 A 16 16 LYS CA C 19 55.000 54.284 0.716 1
1 190 . 11 1 1 A 16 16 LYS HA H 19 4.620 4.856 -0.236 1
1 191 . 11 1 1 A 16 16 LYS CB C 19 36.100 35.705 0.395 1
1 201 . 11 1 1 A 16 16 LYS C C 19 174.000 175.039 -1.039 1
1 202 . 11 1 1 A 17 17 ILE N N 20 123.800 122.390 1.410 1
1 203 . 11 1 1 A 17 17 ILE H H 20 8.420 8.496 -0.076 1
1 204 . 11 1 1 A 17 17 ILE CA C 20 60.400 59.531 0.869 1
1 205 . 11 1 1 A 17 17 ILE HA H 20 4.620 4.719 -0.099 1
1 206 . 11 1 1 A 17 17 ILE CB C 20 37.900 38.614 -0.714 1
1 219 . 11 1 1 A 17 17 ILE C C 20 175.700 175.412 0.288 1
1 220 . 11 1 1 A 18 18 LEU N N 21 130.500 123.602 6.898 1
1 221 . 11 1 1 A 18 18 LEU H H 21 8.600 8.630 -0.030 1
1 222 . 11 1 1 A 18 18 LEU CA C 21 53.500 52.403 1.097 1
1 223 . 11 1 1 A 18 18 LEU HA H 21 4.490 5.269 -0.779 1
1 224 . 11 1 1 A 18 18 LEU CB C 21 44.500 45.957 -1.457 1
1 236 . 11 1 1 A 18 18 LEU C C 21 174.000 174.344 -0.344 1
1 237 . 11 1 1 A 19 19 GLU N N 22 116.200 119.775 -3.575 1
1 238 . 11 1 1 A 19 19 GLU H H 22 7.940 8.726 -0.786 1
1 239 . 11 1 1 A 19 19 GLU CA C 22 53.800 54.560 -0.760 1
1 240 . 11 1 1 A 19 19 GLU HA H 22 5.280 5.244 0.036 1
1 241 . 11 1 1 A 19 19 GLU CB C 22 33.400 33.497 -0.097 1
1 247 . 11 1 1 A 19 19 GLU C C 22 176.600 174.449 2.151 1
1 248 . 11 1 1 A 20 20 SER N N 23 114.700 120.471 -5.771 1
1 249 . 11 1 1 A 20 20 SER H H 23 8.630 8.634 -0.004 1
1 250 . 11 1 1 A 20 20 SER CA C 23 57.400 56.053 1.347 1
1 251 . 11 1 1 A 20 20 SER HA H 23 4.780 5.098 -0.318 1
1 252 . 11 1 1 A 20 20 SER CB C 23 65.900 65.457 0.443 1
1 255 . 11 1 1 A 20 20 SER C C 23 174.100 174.719 -0.619 1
1 256 . 11 1 1 A 21 21 GLY N N 24 109.400 113.775 -4.375 1
1 257 . 11 1 1 A 21 21 GLY H H 24 8.340 8.731 -0.391 1
1 258 . 11 1 1 A 21 21 GLY CA C 24 45.100 45.961 -0.861 1
1 259 . 11 1 1 A 21 21 GLY HA2 H 24 4.470 3.895 0.575 1
1 260 . 11 1 1 A 21 21 GLY HA3 H 24 3.790 3.900 -0.110 1
1 261 . 11 1 1 A 21 21 GLY C C 24 172.600 173.908 -1.308 1
1 262 . 11 1 1 A 22 22 ALA N N 25 122.500 121.432 1.068 1
1 263 . 11 1 1 A 22 22 ALA H H 25 7.790 7.281 0.509 1
1 264 . 11 1 1 A 22 22 ALA CA C 25 49.900 49.913 -0.013 1
1 265 . 11 1 1 A 22 22 ALA HA H 25 4.780 4.844 -0.064 1
1 269 . 11 1 1 A 22 22 ALA CB C 25 20.600 21.715 -1.115 1
1 271 . 11 1 1 A 23 23 PRO CA C 26 63.700 62.793 0.907 1
1 272 . 11 1 1 A 23 23 PRO HA H 26 4.400 4.521 -0.121 1
1 273 . 11 1 1 A 23 23 PRO CB C 26 31.900 32.276 -0.376 1
1 281 . 11 1 1 A 23 23 PRO C C 26 176.500 175.258 1.242 1
1 282 . 11 1 1 A 24 24 ARG N N 27 120.200 123.630 -3.430 1
1 283 . 11 1 1 A 24 24 ARG H H 27 7.810 8.735 -0.925 1
1 284 . 11 1 1 A 24 24 ARG CA C 27 53.800 54.410 -0.610 1
1 285 . 11 1 1 A 24 24 ARG HA H 27 4.680 4.970 -0.290 1
1 286 . 11 1 1 A 24 24 ARG CB C 27 35.600 34.239 1.361 1
1 295 . 11 1 1 A 24 24 ARG C C 27 174.300 174.220 0.080 1
1 296 . 11 1 1 A 25 25 ARG N N 28 119.300 123.217 -3.917 1
1 297 . 11 1 1 A 25 25 ARG H H 28 8.900 9.002 -0.102 1
1 298 . 11 1 1 A 25 25 ARG CA C 28 54.200 54.341 -0.141 1
1 299 . 11 1 1 A 25 25 ARG HA H 28 4.870 4.441 0.429 1
1 300 . 11 1 1 A 25 25 ARG CB C 28 32.200 32.118 0.082 1
1 309 . 11 1 1 A 25 25 ARG C C 28 178.300 177.698 0.602 1
1 310 . 11 1 1 A 26 26 ILE N N 29 123.500 123.021 0.479 1
1 311 . 11 1 1 A 26 26 ILE H H 29 8.630 9.250 -0.620 1
1 312 . 11 1 1 A 26 26 ILE CA C 29 65.200 65.092 0.108 1
1 313 . 11 1 1 A 26 26 ILE HA H 29 3.410 3.628 -0.218 1
1 314 . 11 1 1 A 26 26 ILE CB C 29 36.500 37.419 -0.919 1
1 327 . 11 1 1 A 26 26 ILE C C 29 178.600 177.987 0.613 1
1 328 . 11 1 1 A 27 27 LYS N N 30 115.100 120.864 -5.764 1
1 329 . 11 1 1 A 27 27 LYS H H 30 8.900 8.222 0.678 1
1 330 . 11 1 1 A 27 27 LYS CA C 30 59.300 58.767 0.533 1
1 331 . 11 1 1 A 27 27 LYS HA H 30 3.900 3.955 -0.055 1
1 332 . 11 1 1 A 27 27 LYS CB C 30 31.700 31.963 -0.263 1
1 344 . 11 1 1 A 27 27 LYS C C 30 178.000 178.205 -0.205 1
1 345 . 11 1 1 A 28 28 ASP N N 31 119.700 118.879 0.821 1
1 346 . 11 1 1 A 28 28 ASP H H 31 7.180 7.958 -0.778 1
1 347 . 11 1 1 A 28 28 ASP CA C 31 56.900 57.144 -0.244 1
1 348 . 11 1 1 A 28 28 ASP HA H 31 4.480 4.445 0.035 1
1 349 . 11 1 1 A 28 28 ASP CB C 31 41.300 40.769 0.531 1
1 352 . 11 1 1 A 28 28 ASP C C 31 178.600 178.819 -0.219 1
1 353 . 11 1 1 A 29 29 VAL N N 32 122.100 120.497 1.603 1
1 354 . 11 1 1 A 29 29 VAL H H 32 7.410 7.657 -0.247 1
1 355 . 11 1 1 A 29 29 VAL CA C 32 65.900 66.469 -0.569 1
1 356 . 11 1 1 A 29 29 VAL HA H 32 3.730 3.623 0.107 1
1 357 . 11 1 1 A 29 29 VAL CB C 32 32.000 31.726 0.274 1
1 367 . 11 1 1 A 29 29 VAL C C 32 177.600 178.064 -0.464 1
1 368 . 11 1 1 A 30 30 LEU N N 33 118.000 118.643 -0.643 1
1 369 . 11 1 1 A 30 30 LEU H H 33 8.380 8.750 -0.370 1
1 370 . 11 1 1 A 30 30 LEU CA C 33 58.500 58.028 0.472 1
1 371 . 11 1 1 A 30 30 LEU HA H 33 3.910 4.007 -0.097 1
1 372 . 11 1 1 A 30 30 LEU CB C 33 39.200 41.702 -2.502 1
1 385 . 11 1 1 A 30 30 LEU C C 33 179.200 179.685 -0.485 1
1 386 . 11 1 1 A 31 31 GLY N N 34 104.500 106.424 -1.924 1
1 387 . 11 1 1 A 31 31 GLY H H 34 7.730 8.495 -0.765 1
1 388 . 11 1 1 A 31 31 GLY CA C 34 47.100 47.320 -0.220 1
1 389 . 11 1 1 A 31 31 GLY HA2 H 34 3.940 3.744 0.196 1
1 390 . 11 1 1 A 31 31 GLY HA3 H 34 3.940 3.746 0.194 1
1 391 . 11 1 1 A 31 31 GLY C C 34 177.500 175.508 1.992 1
1 392 . 11 1 1 A 32 32 GLU N N 35 124.300 121.670 2.630 1
1 393 . 11 1 1 A 32 32 GLU H H 35 7.750 7.956 -0.206 1
1 394 . 11 1 1 A 32 32 GLU CA C 35 59.100 59.221 -0.121 1
1 395 . 11 1 1 A 32 32 GLU HA H 35 4.130 4.081 0.049 1
1 396 . 11 1 1 A 32 32 GLU CB C 35 29.800 29.342 0.458 1
1 402 . 11 1 1 A 32 32 GLU C C 35 178.300 178.010 0.290 1
1 403 . 11 1 1 A 33 33 LEU N N 36 117.300 118.084 -0.784 1
1 404 . 11 1 1 A 33 33 LEU H H 36 7.750 7.541 0.209 1
1 405 . 11 1 1 A 33 33 LEU CA C 36 55.000 54.455 0.545 1
1 406 . 11 1 1 A 33 33 LEU HA H 36 4.270 4.361 -0.091 1
1 407 . 11 1 1 A 33 33 LEU CB C 36 42.100 42.096 0.004 1
1 420 . 11 1 1 A 33 33 LEU C C 36 175.200 176.078 -0.878 1
1 421 . 11 1 1 A 34 34 GLU N N 37 115.500 118.945 -3.445 1
1 422 . 11 1 1 A 34 34 GLU H H 37 7.780 8.094 -0.314 1
1 423 . 11 1 1 A 34 34 GLU CA C 37 57.200 57.312 -0.112 1
1 424 . 11 1 1 A 34 34 GLU HA H 37 3.830 4.000 -0.170 1
1 425 . 11 1 1 A 34 34 GLU CB C 37 26.700 28.176 -1.476 1
1 431 . 11 1 1 A 34 34 GLU C C 37 175.300 175.093 0.207 1
1 432 . 11 1 1 A 35 35 ILE N N 38 121.300 119.792 1.508 1
1 433 . 11 1 1 A 35 35 ILE H H 38 8.010 8.365 -0.355 1
1 434 . 11 1 1 A 35 35 ILE CA C 38 58.300 57.498 0.802 1
1 435 . 11 1 1 A 35 35 ILE HA H 38 4.410 4.542 -0.132 1
1 436 . 11 1 1 A 35 35 ILE CB C 38 40.300 39.761 0.539 1
1 450 . 11 1 1 A 36 36 PRO CA C 39 62.400 62.928 -0.528 1
1 451 . 11 1 1 A 36 36 PRO HA H 39 4.470 4.638 -0.168 1
1 452 . 11 1 1 A 36 36 PRO CB C 39 31.600 31.716 -0.116 1
1 460 . 11 1 1 A 36 36 PRO C C 39 179.200 177.572 1.628 1
1 461 . 11 1 1 A 37 37 ILE N N 40 127.500 125.654 1.846 1
1 462 . 11 1 1 A 37 37 ILE H H 40 8.350 9.016 -0.666 1
1 463 . 11 1 1 A 37 37 ILE CA C 40 63.700 62.804 0.896 1
1 464 . 11 1 1 A 37 37 ILE HA H 40 3.750 4.193 -0.443 1
1 465 . 11 1 1 A 37 37 ILE CB C 40 38.600 38.145 0.455 1
1 478 . 11 1 1 A 37 37 ILE C C 40 176.100 177.094 -0.994 1
1 479 . 11 1 1 A 38 38 GLU N N 41 118.500 121.376 -2.876 1
1 480 . 11 1 1 A 38 38 GLU H H 41 9.370 8.025 1.345 1
1 481 . 11 1 1 A 38 38 GLU CA C 41 58.400 58.761 -0.361 1
1 482 . 11 1 1 A 38 38 GLU HA H 41 4.330 4.111 0.219 1
1 483 . 11 1 1 A 38 38 GLU CB C 41 28.500 29.585 -1.085 1
1 489 . 11 1 1 A 38 38 GLU C C 41 177.600 177.975 -0.375 1
1 490 . 11 1 1 A 39 39 THR N N 42 107.400 112.697 -5.297 1
1 491 . 11 1 1 A 39 39 THR H H 42 7.810 7.886 -0.076 1
1 492 . 11 1 1 A 39 39 THR CA C 42 61.600 62.624 -1.024 1
1 493 . 11 1 1 A 39 39 THR HA H 42 4.520 4.458 0.062 1
1 494 . 11 1 1 A 39 39 THR CB C 42 70.300 70.084 0.216 1
1 500 . 11 1 1 A 39 39 THR C C 42 174.000 174.236 -0.236 1
1 501 . 11 1 1 A 40 40 VAL N N 43 112.000 118.047 -6.047 1
1 502 . 11 1 1 A 40 40 VAL H H 43 7.230 7.437 -0.207 1
1 503 . 11 1 1 A 40 40 VAL CA C 43 59.100 58.990 0.110 1
1 504 . 11 1 1 A 40 40 VAL HA H 43 5.420 4.929 0.491 1
1 505 . 11 1 1 A 40 40 VAL CB C 43 36.400 35.271 1.129 1
1 515 . 11 1 1 A 40 40 VAL C C 43 175.200 174.174 1.026 1
1 516 . 11 1 1 A 41 41 VAL N N 44 120.400 121.989 -1.589 1
1 517 . 11 1 1 A 41 41 VAL H H 44 9.080 8.985 0.095 1
1 518 . 11 1 1 A 41 41 VAL CA C 44 61.500 61.250 0.250 1
1 519 . 11 1 1 A 41 41 VAL HA H 44 4.230 4.619 -0.389 1
1 520 . 11 1 1 A 41 41 VAL CB C 44 34.600 33.249 1.351 1
1 530 . 11 1 1 A 41 41 VAL C C 44 174.000 175.090 -1.090 1
1 531 . 11 1 1 A 42 42 VAL N N 45 123.400 129.314 -5.914 1
1 532 . 11 1 1 A 42 42 VAL H H 45 8.820 8.990 -0.170 1
1 533 . 11 1 1 A 42 42 VAL CA C 45 60.000 61.273 -1.273 1
1 534 . 11 1 1 A 42 42 VAL HA H 45 5.120 4.725 0.395 1
1 535 . 11 1 1 A 42 42 VAL CB C 45 34.300 32.765 1.535 1
1 545 . 11 1 1 A 42 42 VAL C C 45 174.700 175.294 -0.594 1
1 546 . 11 1 1 A 43 43 LYS N N 46 121.700 126.589 -4.889 1
1 547 . 11 1 1 A 43 43 LYS H H 46 8.920 8.968 -0.048 1
1 548 . 11 1 1 A 43 43 LYS CA C 46 53.800 54.074 -0.274 1
1 549 . 11 1 1 A 43 43 LYS HA H 46 5.180 5.629 -0.449 1
1 550 . 11 1 1 A 43 43 LYS CB C 46 36.900 35.850 1.050 1
1 562 . 11 1 1 A 43 43 LYS C C 46 175.600 175.253 0.347 1
1 563 . 11 1 1 A 44 44 LYS N N 47 122.300 122.388 -0.088 1
1 564 . 11 1 1 A 44 44 LYS H H 47 9.240 9.168 0.072 1
1 565 . 11 1 1 A 44 44 LYS CA C 47 54.400 54.836 -0.436 1
1 566 . 11 1 1 A 44 44 LYS HA H 47 5.190 4.730 0.460 1
1 567 . 11 1 1 A 44 44 LYS CB C 47 36.100 32.159 3.941 1
1 578 . 11 1 1 A 44 44 LYS C C 47 176.000 177.072 -1.072 1
1 579 . 11 1 1 A 45 45 ASN N N 48 129.600 122.774 6.826 1
1 580 . 11 1 1 A 45 45 ASN H H 48 9.980 9.563 0.417 1
1 581 . 11 1 1 A 45 45 ASN CA C 48 54.300 54.383 -0.083 1
1 582 . 11 1 1 A 45 45 ASN HA H 48 4.490 4.437 0.053 1
1 583 . 11 1 1 A 45 45 ASN CB C 48 37.200 38.029 -0.829 1
1 589 . 11 1 1 A 45 45 ASN C C 48 175.800 174.636 1.164 1
1 590 . 11 1 1 A 46 46 GLY N N 49 103.200 105.482 -2.282 1
1 591 . 11 1 1 A 46 46 GLY H H 49 9.340 8.472 0.868 1
1 592 . 11 1 1 A 46 46 GLY CA C 49 45.200 45.255 -0.055 1
1 593 . 11 1 1 A 46 46 GLY HA2 H 49 4.300 4.074 0.226 1
1 594 . 11 1 1 A 46 46 GLY HA3 H 49 3.650 4.076 -0.426 1
1 595 . 11 1 1 A 46 46 GLY C C 49 173.600 174.480 -0.880 1
1 596 . 11 1 1 A 47 47 GLN N N 50 119.700 120.018 -0.318 1
1 597 . 11 1 1 A 47 47 GLN H H 50 7.690 7.856 -0.166 1
1 598 . 11 1 1 A 47 47 GLN CA C 50 53.500 55.524 -2.024 1
1 599 . 11 1 1 A 47 47 GLN HA H 50 4.770 4.410 0.360 1
1 600 . 11 1 1 A 47 47 GLN CB C 50 31.300 29.487 1.813 1
1 606 . 11 1 1 A 47 47 GLN C C 50 175.000 175.798 -0.798 1
1 607 . 11 1 1 A 48 48 ILE N N 51 125.800 124.366 1.434 1
1 608 . 11 1 1 A 48 48 ILE H H 51 8.790 8.495 0.295 1
1 609 . 11 1 1 A 48 48 ILE CA C 51 63.000 61.968 1.032 1
1 610 . 11 1 1 A 48 48 ILE HA H 51 4.380 4.362 0.018 1
1 611 . 11 1 1 A 48 48 ILE CB C 51 37.400 37.206 0.194 1
1 624 . 11 1 1 A 48 48 ILE C C 51 176.500 176.044 0.456 1
1 625 . 11 1 1 A 49 49 VAL N N 52 121.900 121.626 0.274 1
1 626 . 11 1 1 A 49 49 VAL H H 52 8.290 9.090 -0.800 1
1 627 . 11 1 1 A 49 49 VAL CA C 52 58.900 59.839 -0.939 1
1 628 . 11 1 1 A 49 49 VAL HA H 52 4.860 5.092 -0.232 1
1 629 . 11 1 1 A 49 49 VAL CB C 52 35.700 35.848 -0.148 1
1 639 . 11 1 1 A 50 50 ILE N N 53 114.600 116.191 -1.591 1
1 640 . 11 1 1 A 50 50 ILE H H 53 8.020 8.211 -0.191 1
1 641 . 11 1 1 A 50 50 ILE CA C 53 60.500 58.630 1.870 1
1 642 . 11 1 1 A 50 50 ILE HA H 53 4.610 4.555 0.055 1
1 643 . 11 1 1 A 50 50 ILE CB C 53 39.500 40.631 -1.131 1
1 656 . 11 1 1 A 50 50 ILE C C 53 177.000 176.250 0.750 1
1 657 . 11 1 1 A 51 51 ASP N N 54 118.300 121.072 -2.772 1
1 658 . 11 1 1 A 51 51 ASP H H 54 8.390 9.000 -0.610 1
1 659 . 11 1 1 A 51 51 ASP CA C 54 56.300 55.619 0.681 1
1 660 . 11 1 1 A 51 51 ASP HA H 54 4.010 4.475 -0.465 1
1 661 . 11 1 1 A 51 51 ASP CB C 54 40.200 39.726 0.474 1
1 664 . 11 1 1 A 51 51 ASP C C 54 176.300 176.992 -0.692 1
1 665 . 11 1 1 A 52 52 GLU N N 55 116.900 118.514 -1.614 1
1 666 . 11 1 1 A 52 52 GLU H H 55 7.100 7.874 -0.774 1
1 667 . 11 1 1 A 52 52 GLU CA C 55 56.000 57.629 -1.629 1
1 668 . 11 1 1 A 52 52 GLU HA H 55 4.200 4.263 -0.063 1
1 669 . 11 1 1 A 52 52 GLU CB C 55 30.000 29.748 0.252 1
1 675 . 11 1 1 A 52 52 GLU C C 55 175.700 176.881 -1.181 1
1 676 . 11 1 1 A 53 53 GLU N N 56 120.300 119.609 0.691 1
1 677 . 11 1 1 A 53 53 GLU H H 56 7.570 7.398 0.172 1
1 678 . 11 1 1 A 53 53 GLU CA C 56 57.400 55.145 2.255 1
1 679 . 11 1 1 A 53 53 GLU HA H 56 4.090 4.564 -0.474 1
1 680 . 11 1 1 A 53 53 GLU CB C 56 30.300 30.527 -0.227 1
1 686 . 11 1 1 A 53 53 GLU C C 56 175.400 175.910 -0.510 1
1 687 . 11 1 1 A 54 54 GLU N N 57 123.400 121.074 2.326 1
1 688 . 11 1 1 A 54 54 GLU H H 57 8.430 8.577 -0.147 1
1 689 . 11 1 1 A 54 54 GLU CA C 57 56.500 55.340 1.160 1
1 690 . 11 1 1 A 54 54 GLU HA H 57 4.320 4.404 -0.084 1
1 691 . 11 1 1 A 54 54 GLU CB C 57 32.200 30.781 1.419 1
1 697 . 11 1 1 A 54 54 GLU C C 57 174.300 175.749 -1.449 1
1 698 . 11 1 1 A 55 55 ILE N N 58 122.000 121.844 0.156 1
1 699 . 11 1 1 A 55 55 ILE H H 58 7.850 8.671 -0.821 1
1 700 . 11 1 1 A 55 55 ILE CA C 58 60.400 60.085 0.315 1
1 701 . 11 1 1 A 55 55 ILE HA H 58 3.770 4.378 -0.608 1
1 702 . 11 1 1 A 55 55 ILE CB C 58 40.100 38.541 1.559 1
1 715 . 11 1 1 A 55 55 ILE C C 58 172.900 174.692 -1.792 1
1 716 . 11 1 1 A 56 56 PHE N N 59 124.500 126.617 -2.117 1
1 717 . 11 1 1 A 56 56 PHE H H 59 8.970 8.951 0.019 1
1 718 . 11 1 1 A 56 56 PHE CA C 59 55.900 56.585 -0.685 1
1 719 . 11 1 1 A 56 56 PHE HA H 59 4.820 5.039 -0.219 1
1 720 . 11 1 1 A 56 56 PHE CB C 59 41.900 42.868 -0.968 1
1 727 . 11 1 1 A 56 56 PHE C C 59 175.100 174.731 0.369 1
1 728 . 11 1 1 A 57 57 ASP N N 60 117.300 122.275 -4.975 1
1 729 . 11 1 1 A 57 57 ASP H H 60 8.320 8.781 -0.461 1
1 730 . 11 1 1 A 57 57 ASP CA C 60 56.400 55.852 0.548 1
1 731 . 11 1 1 A 57 57 ASP HA H 60 4.630 4.485 0.145 1
1 732 . 11 1 1 A 57 57 ASP CB C 60 42.700 40.504 2.196 1
1 735 . 11 1 1 A 57 57 ASP C C 60 177.900 177.364 0.536 1
1 736 . 11 1 1 A 58 58 GLY N N 61 114.600 113.743 0.857 1
1 737 . 11 1 1 A 58 58 GLY H H 61 9.700 9.191 0.509 1
1 738 . 11 1 1 A 58 58 GLY CA C 61 45.100 45.860 -0.760 1
1 739 . 11 1 1 A 58 58 GLY HA2 H 61 4.420 3.873 0.547 1
1 740 . 11 1 1 A 58 58 GLY HA3 H 61 3.770 3.887 -0.117 1
1 741 . 11 1 1 A 58 58 GLY C C 61 174.900 173.431 1.469 1
1 742 . 11 1 1 A 59 59 ASP N N 62 122.200 120.842 1.358 1
1 743 . 11 1 1 A 59 59 ASP H H 62 8.350 7.821 0.529 1
1 744 . 11 1 1 A 59 59 ASP CA C 62 55.900 53.270 2.630 1
1 745 . 11 1 1 A 59 59 ASP HA H 62 4.940 5.054 -0.114 1
1 746 . 11 1 1 A 59 59 ASP CB C 62 42.500 42.623 -0.123 1
1 749 . 11 1 1 A 59 59 ASP C C 62 176.000 175.631 0.369 1
1 750 . 11 1 1 A 60 60 ILE N N 63 119.100 123.709 -4.609 1
1 751 . 11 1 1 A 60 60 ILE H H 63 8.400 8.845 -0.445 1
1 752 . 11 1 1 A 60 60 ILE CA C 63 60.700 60.443 0.257 1
1 753 . 11 1 1 A 60 60 ILE HA H 63 4.690 4.965 -0.275 1
1 754 . 11 1 1 A 60 60 ILE CB C 63 39.700 40.459 -0.759 1
1 767 . 11 1 1 A 60 60 ILE C C 63 175.400 174.658 0.742 1
1 768 . 11 1 1 A 61 61 ILE N N 64 130.300 129.300 1.000 1
1 769 . 11 1 1 A 61 61 ILE H H 64 9.550 9.761 -0.211 1
1 770 . 11 1 1 A 61 61 ILE CA C 64 58.300 60.464 -2.164 1
1 771 . 11 1 1 A 61 61 ILE HA H 64 5.230 4.818 0.412 1
1 772 . 11 1 1 A 61 61 ILE CB C 64 38.700 38.223 0.477 1
1 785 . 11 1 1 A 61 61 ILE C C 64 174.400 174.451 -0.051 1
1 786 . 11 1 1 A 62 62 GLU N N 65 126.800 128.564 -1.764 1
1 787 . 11 1 1 A 62 62 GLU H H 65 9.340 9.090 0.250 1
1 788 . 11 1 1 A 62 62 GLU CA C 65 54.500 55.500 -1.000 1
1 789 . 11 1 1 A 62 62 GLU HA H 65 5.080 4.687 0.393 1
1 790 . 11 1 1 A 62 62 GLU CB C 65 33.300 30.834 2.466 1
1 796 . 11 1 1 A 62 62 GLU C C 65 174.300 175.254 -0.954 1
1 797 . 11 1 1 A 63 63 VAL N N 66 124.300 126.911 -2.611 1
1 798 . 11 1 1 A 63 63 VAL H H 66 8.710 8.569 0.141 1
1 799 . 11 1 1 A 63 63 VAL CA C 66 61.900 62.037 -0.137 1
1 800 . 11 1 1 A 63 63 VAL HA H 66 4.420 4.742 -0.322 1
1 801 . 11 1 1 A 63 63 VAL CB C 66 32.600 32.288 0.312 1
1 811 . 11 1 1 A 63 63 VAL C C 66 175.300 174.974 0.326 1
1 812 . 11 1 1 A 64 64 ILE N N 67 131.200 128.867 2.333 1
1 813 . 11 1 1 A 64 64 ILE H H 67 9.180 9.552 -0.372 1
1 814 . 11 1 1 A 64 64 ILE CA C 67 60.200 60.609 -0.409 1
1 815 . 11 1 1 A 64 64 ILE HA H 67 4.360 4.640 -0.280 1
1 816 . 11 1 1 A 64 64 ILE CB C 67 40.400 37.240 3.160 1
1 829 . 11 1 1 A 64 64 ILE C C 67 175.300 176.093 -0.793 1
1 830 . 11 1 1 A 65 65 ARG N N 68 126.900 127.994 -1.094 1
1 831 . 11 1 1 A 65 65 ARG H H 68 9.020 8.352 0.668 1
1 832 . 11 1 1 A 65 65 ARG CA C 68 57.200 55.892 1.308 1
1 833 . 11 1 1 A 65 65 ARG HA H 68 4.480 4.318 0.162 1
1 834 . 11 1 1 A 65 65 ARG CB C 68 30.500 30.619 -0.119 1
1 843 . 11 1 1 A 65 65 ARG C C 68 176.800 175.647 1.153 1
1 844 . 11 1 1 A 66 66 VAL N N 69 122.300 122.949 -0.649 1
1 845 . 11 1 1 A 66 66 VAL H H 69 8.280 8.449 -0.169 1
1 846 . 11 1 1 A 66 66 VAL CA C 69 62.200 62.190 0.010 1
1 847 . 11 1 1 A 66 66 VAL HA H 69 4.100 4.519 -0.419 1
1 848 . 11 1 1 A 66 66 VAL CB C 69 32.800 33.023 -0.223 1
1 858 . 11 1 1 A 66 66 VAL C C 69 175.500 175.182 0.318 1
1 859 . 11 1 1 A 67 67 ILE N N 70 124.000 130.024 -6.024 1
1 860 . 11 1 1 A 67 67 ILE H H 70 7.930 8.764 -0.834 1
1 861 . 11 1 1 A 67 67 ILE CA C 70 60.300 60.387 -0.087 1
1 862 . 11 1 1 A 67 67 ILE HA H 70 4.210 4.614 -0.404 1
1 863 . 11 1 1 A 67 67 ILE CB C 70 38.900 39.102 -0.202 1
1 876 . 11 1 1 A 67 67 ILE C C 70 175.500 174.668 0.832 1
1 877 . 11 1 1 A 68 68 TYR N N 71 126.200 131.206 -5.006 1
1 878 . 11 1 1 A 68 68 TYR H H 71 8.450 9.109 -0.659 1
1 879 . 11 1 1 A 68 68 TYR CA C 71 57.900 58.717 -0.817 1
1 880 . 11 1 1 A 68 68 TYR HA H 71 4.590 4.702 -0.112 1
1 881 . 11 1 1 A 68 68 TYR CB C 71 39.000 38.581 0.419 1
1 886 . 11 1 1 A 68 68 TYR C C 71 176.200 175.185 1.015 1
1 887 . 11 1 1 A 69 69 GLY N N 72 112.000 113.080 -1.080 1
1 888 . 11 1 1 A 69 69 GLY H H 72 8.370 8.350 0.020 1
1 889 . 11 1 1 A 69 69 GLY CA C 72 45.300 46.026 -0.726 1
1 890 . 11 1 1 A 69 69 GLY HA2 H 72 3.910 4.123 -0.213 1
1 891 . 11 1 1 A 69 69 GLY HA3 H 72 3.910 4.201 -0.291 1
1 892 . 11 1 1 A 69 69 GLY C C 72 173.500 171.936 1.564 1
1 10 . 12 1 1 A 2 2 VAL N N 5 122.400 119.177 3.223 1
1 11 . 12 1 1 A 2 2 VAL H H 5 8.290 8.626 -0.336 1
1 12 . 12 1 1 A 2 2 VAL CA C 5 62.400 61.508 0.892 1
1 13 . 12 1 1 A 2 2 VAL HA H 5 4.120 4.425 -0.305 1
1 14 . 12 1 1 A 2 2 VAL CB C 5 32.600 32.792 -0.192 1
1 24 . 12 1 1 A 2 2 VAL C C 5 175.700 175.711 -0.011 1
1 25 . 12 1 1 A 3 3 ILE N N 6 125.000 128.122 -3.122 1
1 26 . 12 1 1 A 3 3 ILE H H 6 8.240 8.769 -0.529 1
1 27 . 12 1 1 A 3 3 ILE CA C 6 60.900 61.892 -0.992 1
1 28 . 12 1 1 A 3 3 ILE HA H 6 4.210 4.255 -0.045 1
1 29 . 12 1 1 A 3 3 ILE CB C 6 38.700 37.260 1.440 1
1 42 . 12 1 1 A 3 3 ILE C C 6 176.000 176.238 -0.238 1
1 43 . 12 1 1 A 4 4 GLY N N 7 112.900 112.822 0.078 1
1 44 . 12 1 1 A 4 4 GLY H H 7 8.330 8.473 -0.143 1
1 45 . 12 1 1 A 4 4 GLY CA C 7 45.300 44.709 0.591 1
1 46 . 12 1 1 A 4 4 GLY HA2 H 7 4.140 4.208 -0.068 1
1 47 . 12 1 1 A 4 4 GLY HA3 H 7 4.020 4.216 -0.196 1
1 48 . 12 1 1 A 4 4 GLY C C 7 172.800 173.075 -0.275 1
1 49 . 12 1 1 A 5 5 MET N N 8 118.400 121.412 -3.012 1
1 50 . 12 1 1 A 5 5 MET H H 8 8.540 9.099 -0.559 1
1 51 . 12 1 1 A 5 5 MET CA C 8 54.800 53.449 1.351 1
1 52 . 12 1 1 A 5 5 MET HA H 8 4.820 5.582 -0.762 1
1 53 . 12 1 1 A 5 5 MET CB C 8 35.500 34.750 0.750 1
1 63 . 12 1 1 A 5 5 MET C C 8 174.100 174.171 -0.071 1
1 64 . 12 1 1 A 6 6 LYS N N 9 122.000 124.059 -2.059 1
1 65 . 12 1 1 A 6 6 LYS H H 9 9.150 9.611 -0.461 1
1 66 . 12 1 1 A 6 6 LYS CA C 9 55.100 54.988 0.112 1
1 67 . 12 1 1 A 6 6 LYS HA H 9 5.430 5.073 0.357 1
1 68 . 12 1 1 A 6 6 LYS CB C 9 36.100 34.853 1.247 1
1 80 . 12 1 1 A 6 6 LYS C C 9 174.500 175.537 -1.037 1
1 81 . 12 1 1 A 7 7 PHE N N 10 119.300 121.603 -2.303 1
1 82 . 12 1 1 A 7 7 PHE H H 10 8.670 8.451 0.219 1
1 83 . 12 1 1 A 7 7 PHE CA C 10 55.700 56.214 -0.514 1
1 84 . 12 1 1 A 7 7 PHE HA H 10 5.190 5.167 0.023 1
1 85 . 12 1 1 A 7 7 PHE CB C 10 40.100 41.817 -1.717 1
1 92 . 12 1 1 A 7 7 PHE C C 10 172.400 172.034 0.366 1
1 93 . 12 1 1 A 8 8 THR N N 11 116.500 117.027 -0.527 1
1 94 . 12 1 1 A 8 8 THR H H 11 8.440 9.040 -0.600 1
1 95 . 12 1 1 A 8 8 THR CA C 11 62.200 60.702 1.498 1
1 96 . 12 1 1 A 8 8 THR HA H 11 5.070 4.846 0.224 1
1 97 . 12 1 1 A 8 8 THR CB C 11 70.800 70.862 -0.062 1
1 103 . 12 1 1 A 8 8 THR C C 11 173.300 173.086 0.214 1
1 104 . 12 1 1 A 9 9 VAL N N 12 126.200 126.239 -0.039 1
1 105 . 12 1 1 A 9 9 VAL H H 12 9.400 9.133 0.267 1
1 106 . 12 1 1 A 9 9 VAL CA C 12 60.700 59.904 0.796 1
1 107 . 12 1 1 A 9 9 VAL HA H 12 5.090 5.458 -0.368 1
1 108 . 12 1 1 A 9 9 VAL CB C 12 34.100 34.276 -0.176 1
1 118 . 12 1 1 A 9 9 VAL C C 12 174.500 173.531 0.969 1
1 119 . 12 1 1 A 10 10 ILE N N 13 129.600 130.481 -0.881 1
1 120 . 12 1 1 A 10 10 ILE H H 13 9.560 9.388 0.172 1
1 121 . 12 1 1 A 10 10 ILE CA C 13 61.400 59.812 1.588 1
1 122 . 12 1 1 A 10 10 ILE HA H 13 4.640 5.024 -0.384 1
1 123 . 12 1 1 A 10 10 ILE CB C 13 39.700 40.283 -0.583 1
1 136 . 12 1 1 A 10 10 ILE C C 13 175.200 174.016 1.184 1
1 137 . 12 1 1 A 11 11 THR N N 14 116.800 125.554 -8.754 1
1 138 . 12 1 1 A 11 11 THR H H 14 8.430 9.132 -0.702 1
1 139 . 12 1 1 A 11 11 THR CA C 14 59.200 60.430 -1.230 1
1 140 . 12 1 1 A 11 11 THR HA H 14 5.160 5.077 0.083 1
1 141 . 12 1 1 A 11 11 THR CB C 14 71.900 71.514 0.386 1
1 147 . 12 1 1 A 11 11 THR C C 14 175.800 175.526 0.274 1
1 148 . 12 1 1 A 12 12 ASP N N 15 120.000 123.922 -3.922 1
1 149 . 12 1 1 A 12 12 ASP H H 15 9.010 9.091 -0.081 1
1 150 . 12 1 1 A 12 12 ASP CA C 15 56.900 57.142 -0.242 1
1 151 . 12 1 1 A 12 12 ASP HA H 15 4.440 4.283 0.157 1
1 152 . 12 1 1 A 12 12 ASP CB C 15 40.900 40.487 0.413 1
1 155 . 12 1 1 A 12 12 ASP C C 15 176.600 176.862 -0.262 1
1 156 . 12 1 1 A 13 13 ASP N N 16 115.300 117.183 -1.883 1
1 157 . 12 1 1 A 13 13 ASP H H 16 8.090 8.026 0.064 1
1 158 . 12 1 1 A 13 13 ASP CA C 16 53.400 54.164 -0.764 1
1 159 . 12 1 1 A 13 13 ASP HA H 16 4.730 4.709 0.021 1
1 160 . 12 1 1 A 13 13 ASP CB C 16 41.800 41.318 0.482 1
1 163 . 12 1 1 A 13 13 ASP C C 16 175.700 176.268 -0.568 1
1 164 . 12 1 1 A 14 14 GLY N N 17 108.000 106.639 1.361 1
1 165 . 12 1 1 A 14 14 GLY H H 17 7.610 7.592 0.018 1
1 166 . 12 1 1 A 14 14 GLY CA C 17 44.900 44.056 0.844 1
1 167 . 12 1 1 A 14 14 GLY HA2 H 17 4.450 4.073 0.377 1
1 168 . 12 1 1 A 14 14 GLY HA3 H 17 3.860 4.075 -0.215 1
1 169 . 12 1 1 A 14 14 GLY C C 17 171.800 171.702 0.098 1
1 170 . 12 1 1 A 15 15 LYS N N 18 120.600 120.906 -0.306 1
1 171 . 12 1 1 A 15 15 LYS H H 18 8.430 8.444 -0.014 1
1 172 . 12 1 1 A 15 15 LYS CA C 18 55.400 55.040 0.360 1
1 173 . 12 1 1 A 15 15 LYS HA H 18 5.080 5.233 -0.153 1
1 174 . 12 1 1 A 15 15 LYS CB C 18 34.600 34.819 -0.219 1
1 186 . 12 1 1 A 15 15 LYS C C 18 175.600 174.680 0.920 1
1 187 . 12 1 1 A 16 16 LYS N N 19 125.700 125.816 -0.116 1
1 188 . 12 1 1 A 16 16 LYS H H 19 9.160 8.763 0.397 1
1 189 . 12 1 1 A 16 16 LYS CA C 19 55.000 55.547 -0.547 1
1 190 . 12 1 1 A 16 16 LYS HA H 19 4.620 4.839 -0.219 1
1 191 . 12 1 1 A 16 16 LYS CB C 19 36.100 36.275 -0.175 1
1 201 . 12 1 1 A 16 16 LYS C C 19 174.000 173.708 0.292 1
1 202 . 12 1 1 A 17 17 ILE N N 20 123.800 127.203 -3.403 1
1 203 . 12 1 1 A 17 17 ILE H H 20 8.420 8.792 -0.372 1
1 204 . 12 1 1 A 17 17 ILE CA C 20 60.400 59.813 0.587 1
1 205 . 12 1 1 A 17 17 ILE HA H 20 4.620 4.764 -0.144 1
1 206 . 12 1 1 A 17 17 ILE CB C 20 37.900 40.566 -2.666 1
1 219 . 12 1 1 A 17 17 ILE C C 20 175.700 175.022 0.678 1
1 220 . 12 1 1 A 18 18 LEU N N 21 130.500 124.482 6.018 1
1 221 . 12 1 1 A 18 18 LEU H H 21 8.600 8.593 0.007 1
1 222 . 12 1 1 A 18 18 LEU CA C 21 53.500 52.760 0.740 1
1 223 . 12 1 1 A 18 18 LEU HA H 21 4.490 5.184 -0.694 1
1 224 . 12 1 1 A 18 18 LEU CB C 21 44.500 46.082 -1.582 1
1 236 . 12 1 1 A 18 18 LEU C C 21 174.000 174.584 -0.584 1
1 237 . 12 1 1 A 19 19 GLU N N 22 116.200 117.496 -1.296 1
1 238 . 12 1 1 A 19 19 GLU H H 22 7.940 8.865 -0.925 1
1 239 . 12 1 1 A 19 19 GLU CA C 22 53.800 54.283 -0.483 1
1 240 . 12 1 1 A 19 19 GLU HA H 22 5.280 5.055 0.225 1
1 241 . 12 1 1 A 19 19 GLU CB C 22 33.400 33.606 -0.206 1
1 247 . 12 1 1 A 19 19 GLU C C 22 176.600 174.618 1.982 1
1 248 . 12 1 1 A 20 20 SER N N 23 114.700 117.873 -3.173 1
1 249 . 12 1 1 A 20 20 SER H H 23 8.630 8.936 -0.306 1
1 250 . 12 1 1 A 20 20 SER CA C 23 57.400 57.745 -0.345 1
1 251 . 12 1 1 A 20 20 SER HA H 23 4.780 4.943 -0.163 1
1 252 . 12 1 1 A 20 20 SER CB C 23 65.900 66.104 -0.204 1
1 255 . 12 1 1 A 20 20 SER C C 23 174.100 174.873 -0.773 1
1 256 . 12 1 1 A 21 21 GLY N N 24 109.400 113.022 -3.622 1
1 257 . 12 1 1 A 21 21 GLY H H 24 8.340 8.790 -0.450 1
1 258 . 12 1 1 A 21 21 GLY CA C 24 45.100 45.862 -0.762 1
1 259 . 12 1 1 A 21 21 GLY HA2 H 24 4.470 3.852 0.618 1
1 260 . 12 1 1 A 21 21 GLY HA3 H 24 3.790 3.859 -0.069 1
1 261 . 12 1 1 A 21 21 GLY C C 24 172.600 173.990 -1.390 1
1 262 . 12 1 1 A 22 22 ALA N N 25 122.500 122.506 -0.006 1
1 263 . 12 1 1 A 22 22 ALA H H 25 7.790 7.718 0.072 1
1 264 . 12 1 1 A 22 22 ALA CA C 25 49.900 49.177 0.723 1
1 265 . 12 1 1 A 22 22 ALA HA H 25 4.780 4.863 -0.083 1
1 269 . 12 1 1 A 22 22 ALA CB C 25 20.600 21.589 -0.989 1
1 271 . 12 1 1 A 23 23 PRO CA C 26 63.700 62.878 0.822 1
1 272 . 12 1 1 A 23 23 PRO HA H 26 4.400 4.789 -0.389 1
1 273 . 12 1 1 A 23 23 PRO CB C 26 31.900 31.773 0.127 1
1 281 . 12 1 1 A 23 23 PRO C C 26 176.500 175.464 1.036 1
1 282 . 12 1 1 A 24 24 ARG N N 27 120.200 123.546 -3.346 1
1 283 . 12 1 1 A 24 24 ARG H H 27 7.810 8.333 -0.523 1
1 284 . 12 1 1 A 24 24 ARG CA C 27 53.800 54.180 -0.380 1
1 285 . 12 1 1 A 24 24 ARG HA H 27 4.680 4.873 -0.193 1
1 286 . 12 1 1 A 24 24 ARG CB C 27 35.600 33.717 1.883 1
1 295 . 12 1 1 A 24 24 ARG C C 27 174.300 173.597 0.703 1
1 296 . 12 1 1 A 25 25 ARG N N 28 119.300 122.740 -3.440 1
1 297 . 12 1 1 A 25 25 ARG H H 28 8.900 8.518 0.382 1
1 298 . 12 1 1 A 25 25 ARG CA C 28 54.200 54.509 -0.309 1
1 299 . 12 1 1 A 25 25 ARG HA H 28 4.870 4.745 0.125 1
1 300 . 12 1 1 A 25 25 ARG CB C 28 32.200 32.374 -0.174 1
1 309 . 12 1 1 A 25 25 ARG C C 28 178.300 177.132 1.168 1
1 310 . 12 1 1 A 26 26 ILE N N 29 123.500 125.017 -1.517 1
1 311 . 12 1 1 A 26 26 ILE H H 29 8.630 8.947 -0.317 1
1 312 . 12 1 1 A 26 26 ILE CA C 29 65.200 65.378 -0.178 1
1 313 . 12 1 1 A 26 26 ILE HA H 29 3.410 3.635 -0.225 1
1 314 . 12 1 1 A 26 26 ILE CB C 29 36.500 37.651 -1.151 1
1 327 . 12 1 1 A 26 26 ILE C C 29 178.600 177.992 0.608 1
1 328 . 12 1 1 A 27 27 LYS N N 30 115.100 120.748 -5.648 1
1 329 . 12 1 1 A 27 27 LYS H H 30 8.900 8.020 0.880 1
1 330 . 12 1 1 A 27 27 LYS CA C 30 59.300 59.833 -0.533 1
1 331 . 12 1 1 A 27 27 LYS HA H 30 3.900 3.837 0.063 1
1 332 . 12 1 1 A 27 27 LYS CB C 30 31.700 32.159 -0.459 1
1 344 . 12 1 1 A 27 27 LYS C C 30 178.000 178.189 -0.189 1
1 345 . 12 1 1 A 28 28 ASP N N 31 119.700 119.622 0.078 1
1 346 . 12 1 1 A 28 28 ASP H H 31 7.180 8.043 -0.863 1
1 347 . 12 1 1 A 28 28 ASP CA C 31 56.900 57.121 -0.221 1
1 348 . 12 1 1 A 28 28 ASP HA H 31 4.480 4.405 0.075 1
1 349 . 12 1 1 A 28 28 ASP CB C 31 41.300 40.780 0.520 1
1 352 . 12 1 1 A 28 28 ASP C C 31 178.600 178.793 -0.193 1
1 353 . 12 1 1 A 29 29 VAL N N 32 122.100 119.729 2.371 1
1 354 . 12 1 1 A 29 29 VAL H H 32 7.410 7.912 -0.502 1
1 355 . 12 1 1 A 29 29 VAL CA C 32 65.900 66.755 -0.855 1
1 356 . 12 1 1 A 29 29 VAL HA H 32 3.730 3.591 0.139 1
1 357 . 12 1 1 A 29 29 VAL CB C 32 32.000 31.481 0.519 1
1 367 . 12 1 1 A 29 29 VAL C C 32 177.600 178.428 -0.828 1
1 368 . 12 1 1 A 30 30 LEU N N 33 118.000 120.787 -2.787 1
1 369 . 12 1 1 A 30 30 LEU H H 33 8.380 8.606 -0.226 1
1 370 . 12 1 1 A 30 30 LEU CA C 33 58.500 57.671 0.829 1
1 371 . 12 1 1 A 30 30 LEU HA H 33 3.910 4.021 -0.111 1
1 372 . 12 1 1 A 30 30 LEU CB C 33 39.200 41.699 -2.499 1
1 385 . 12 1 1 A 30 30 LEU C C 33 179.200 179.402 -0.202 1
1 386 . 12 1 1 A 31 31 GLY N N 34 104.500 106.788 -2.288 1
1 387 . 12 1 1 A 31 31 GLY H H 34 7.730 8.253 -0.523 1
1 388 . 12 1 1 A 31 31 GLY CA C 34 47.100 47.205 -0.105 1
1 389 . 12 1 1 A 31 31 GLY HA2 H 34 3.940 3.770 0.170 1
1 390 . 12 1 1 A 31 31 GLY HA3 H 34 3.940 3.773 0.167 1
1 391 . 12 1 1 A 31 31 GLY C C 34 177.500 175.955 1.545 1
1 392 . 12 1 1 A 32 32 GLU N N 35 124.300 121.671 2.629 1
1 393 . 12 1 1 A 32 32 GLU H H 35 7.750 8.275 -0.525 1
1 394 . 12 1 1 A 32 32 GLU CA C 35 59.100 59.056 0.044 1
1 395 . 12 1 1 A 32 32 GLU HA H 35 4.130 4.082 0.048 1
1 396 . 12 1 1 A 32 32 GLU CB C 35 29.800 29.414 0.386 1
1 402 . 12 1 1 A 32 32 GLU C C 35 178.300 177.929 0.371 1
1 403 . 12 1 1 A 33 33 LEU N N 36 117.300 118.394 -1.094 1
1 404 . 12 1 1 A 33 33 LEU H H 36 7.750 7.505 0.245 1
1 405 . 12 1 1 A 33 33 LEU CA C 36 55.000 55.158 -0.158 1
1 406 . 12 1 1 A 33 33 LEU HA H 36 4.270 4.289 -0.019 1
1 407 . 12 1 1 A 33 33 LEU CB C 36 42.100 42.018 0.082 1
1 420 . 12 1 1 A 33 33 LEU C C 36 175.200 176.264 -1.064 1
1 421 . 12 1 1 A 34 34 GLU N N 37 115.500 118.728 -3.228 1
1 422 . 12 1 1 A 34 34 GLU H H 37 7.780 8.147 -0.367 1
1 423 . 12 1 1 A 34 34 GLU CA C 37 57.200 57.457 -0.257 1
1 424 . 12 1 1 A 34 34 GLU HA H 37 3.830 3.999 -0.169 1
1 425 . 12 1 1 A 34 34 GLU CB C 37 26.700 28.267 -1.567 1
1 431 . 12 1 1 A 34 34 GLU C C 37 175.300 174.955 0.345 1
1 432 . 12 1 1 A 35 35 ILE N N 38 121.300 119.552 1.748 1
1 433 . 12 1 1 A 35 35 ILE H H 38 8.010 7.870 0.140 1
1 434 . 12 1 1 A 35 35 ILE CA C 38 58.300 57.565 0.735 1
1 435 . 12 1 1 A 35 35 ILE HA H 38 4.410 4.433 -0.023 1
1 436 . 12 1 1 A 35 35 ILE CB C 38 40.300 39.271 1.029 1
1 450 . 12 1 1 A 36 36 PRO CA C 39 62.400 63.026 -0.626 1
1 451 . 12 1 1 A 36 36 PRO HA H 39 4.470 4.630 -0.160 1
1 452 . 12 1 1 A 36 36 PRO CB C 39 31.600 31.745 -0.145 1
1 460 . 12 1 1 A 36 36 PRO C C 39 179.200 177.722 1.478 1
1 461 . 12 1 1 A 37 37 ILE N N 40 127.500 125.728 1.772 1
1 462 . 12 1 1 A 37 37 ILE H H 40 8.350 8.930 -0.580 1
1 463 . 12 1 1 A 37 37 ILE CA C 40 63.700 63.038 0.662 1
1 464 . 12 1 1 A 37 37 ILE HA H 40 3.750 4.067 -0.317 1
1 465 . 12 1 1 A 37 37 ILE CB C 40 38.600 37.976 0.624 1
1 478 . 12 1 1 A 37 37 ILE C C 40 176.100 177.205 -1.105 1
1 479 . 12 1 1 A 38 38 GLU N N 41 118.500 121.553 -3.053 1
1 480 . 12 1 1 A 38 38 GLU H H 41 9.370 7.934 1.436 1
1 481 . 12 1 1 A 38 38 GLU CA C 41 58.400 59.119 -0.719 1
1 482 . 12 1 1 A 38 38 GLU HA H 41 4.330 4.059 0.271 1
1 483 . 12 1 1 A 38 38 GLU CB C 41 28.500 29.646 -1.146 1
1 489 . 12 1 1 A 38 38 GLU C C 41 177.600 177.748 -0.148 1
1 490 . 12 1 1 A 39 39 THR N N 42 107.400 112.535 -5.135 1
1 491 . 12 1 1 A 39 39 THR H H 42 7.810 7.738 0.072 1
1 492 . 12 1 1 A 39 39 THR CA C 42 61.600 61.379 0.221 1
1 493 . 12 1 1 A 39 39 THR HA H 42 4.520 4.569 -0.049 1
1 494 . 12 1 1 A 39 39 THR CB C 42 70.300 69.994 0.306 1
1 500 . 12 1 1 A 39 39 THR C C 42 174.000 173.921 0.079 1
1 501 . 12 1 1 A 40 40 VAL N N 43 112.000 119.504 -7.504 1
1 502 . 12 1 1 A 40 40 VAL H H 43 7.230 7.390 -0.160 1
1 503 . 12 1 1 A 40 40 VAL CA C 43 59.100 58.666 0.434 1
1 504 . 12 1 1 A 40 40 VAL HA H 43 5.420 4.901 0.519 1
1 505 . 12 1 1 A 40 40 VAL CB C 43 36.400 35.520 0.880 1
1 515 . 12 1 1 A 40 40 VAL C C 43 175.200 173.897 1.303 1
1 516 . 12 1 1 A 41 41 VAL N N 44 120.400 123.634 -3.234 1
1 517 . 12 1 1 A 41 41 VAL H H 44 9.080 8.802 0.278 1
1 518 . 12 1 1 A 41 41 VAL CA C 44 61.500 61.653 -0.153 1
1 519 . 12 1 1 A 41 41 VAL HA H 44 4.230 4.544 -0.314 1
1 520 . 12 1 1 A 41 41 VAL CB C 44 34.600 33.056 1.544 1
1 530 . 12 1 1 A 41 41 VAL C C 44 174.000 175.130 -1.130 1
1 531 . 12 1 1 A 42 42 VAL N N 45 123.400 129.191 -5.791 1
1 532 . 12 1 1 A 42 42 VAL H H 45 8.820 8.997 -0.177 1
1 533 . 12 1 1 A 42 42 VAL CA C 45 60.000 61.275 -1.275 1
1 534 . 12 1 1 A 42 42 VAL HA H 45 5.120 4.659 0.461 1
1 535 . 12 1 1 A 42 42 VAL CB C 45 34.300 32.791 1.509 1
1 545 . 12 1 1 A 42 42 VAL C C 45 174.700 175.141 -0.441 1
1 546 . 12 1 1 A 43 43 LYS N N 46 121.700 126.586 -4.886 1
1 547 . 12 1 1 A 43 43 LYS H H 46 8.920 9.340 -0.420 1
1 548 . 12 1 1 A 43 43 LYS CA C 46 53.800 54.266 -0.466 1
1 549 . 12 1 1 A 43 43 LYS HA H 46 5.180 5.571 -0.391 1
1 550 . 12 1 1 A 43 43 LYS CB C 46 36.900 35.503 1.397 1
1 562 . 12 1 1 A 43 43 LYS C C 46 175.600 175.711 -0.111 1
1 563 . 12 1 1 A 44 44 LYS N N 47 122.300 122.834 -0.534 1
1 564 . 12 1 1 A 44 44 LYS H H 47 9.240 9.042 0.198 1
1 565 . 12 1 1 A 44 44 LYS CA C 47 54.400 55.016 -0.616 1
1 566 . 12 1 1 A 44 44 LYS HA H 47 5.190 4.708 0.482 1
1 567 . 12 1 1 A 44 44 LYS CB C 47 36.100 34.687 1.413 1
1 578 . 12 1 1 A 44 44 LYS C C 47 176.000 176.735 -0.735 1
1 579 . 12 1 1 A 45 45 ASN N N 48 129.600 122.994 6.606 1
1 580 . 12 1 1 A 45 45 ASN H H 48 9.980 9.803 0.177 1
1 581 . 12 1 1 A 45 45 ASN CA C 48 54.300 54.109 0.191 1
1 582 . 12 1 1 A 45 45 ASN HA H 48 4.490 4.418 0.072 1
1 583 . 12 1 1 A 45 45 ASN CB C 48 37.200 37.479 -0.279 1
1 589 . 12 1 1 A 45 45 ASN C C 48 175.800 174.456 1.344 1
1 590 . 12 1 1 A 46 46 GLY N N 49 103.200 104.615 -1.415 1
1 591 . 12 1 1 A 46 46 GLY H H 49 9.340 8.332 1.008 1
1 592 . 12 1 1 A 46 46 GLY CA C 49 45.200 45.216 -0.016 1
1 593 . 12 1 1 A 46 46 GLY HA2 H 49 4.300 3.915 0.385 1
1 594 . 12 1 1 A 46 46 GLY HA3 H 49 3.650 3.916 -0.266 1
1 595 . 12 1 1 A 46 46 GLY C C 49 173.600 173.837 -0.237 1
1 596 . 12 1 1 A 47 47 GLN N N 50 119.700 119.634 0.066 1
1 597 . 12 1 1 A 47 47 GLN H H 50 7.690 7.913 -0.223 1
1 598 . 12 1 1 A 47 47 GLN CA C 50 53.500 55.694 -2.194 1
1 599 . 12 1 1 A 47 47 GLN HA H 50 4.770 4.445 0.325 1
1 600 . 12 1 1 A 47 47 GLN CB C 50 31.300 29.712 1.588 1
1 606 . 12 1 1 A 47 47 GLN C C 50 175.000 175.439 -0.439 1
1 607 . 12 1 1 A 48 48 ILE N N 51 125.800 123.702 2.098 1
1 608 . 12 1 1 A 48 48 ILE H H 51 8.790 8.463 0.327 1
1 609 . 12 1 1 A 48 48 ILE CA C 51 63.000 61.048 1.952 1
1 610 . 12 1 1 A 48 48 ILE HA H 51 4.380 4.386 -0.006 1
1 611 . 12 1 1 A 48 48 ILE CB C 51 37.400 36.807 0.593 1
1 624 . 12 1 1 A 48 48 ILE C C 51 176.500 175.831 0.669 1
1 625 . 12 1 1 A 49 49 VAL N N 52 121.900 121.043 0.857 1
1 626 . 12 1 1 A 49 49 VAL H H 52 8.290 9.178 -0.888 1
1 627 . 12 1 1 A 49 49 VAL CA C 52 58.900 59.852 -0.952 1
1 628 . 12 1 1 A 49 49 VAL HA H 52 4.860 5.104 -0.244 1
1 629 . 12 1 1 A 49 49 VAL CB C 52 35.700 35.867 -0.167 1
1 639 . 12 1 1 A 50 50 ILE N N 53 114.600 116.770 -2.170 1
1 640 . 12 1 1 A 50 50 ILE H H 53 8.020 8.176 -0.156 1
1 641 . 12 1 1 A 50 50 ILE CA C 53 60.500 59.046 1.454 1
1 642 . 12 1 1 A 50 50 ILE HA H 53 4.610 4.537 0.073 1
1 643 . 12 1 1 A 50 50 ILE CB C 53 39.500 39.294 0.206 1
1 656 . 12 1 1 A 50 50 ILE C C 53 177.000 176.141 0.859 1
1 657 . 12 1 1 A 51 51 ASP N N 54 118.300 121.309 -3.009 1
1 658 . 12 1 1 A 51 51 ASP H H 54 8.390 8.933 -0.543 1
1 659 . 12 1 1 A 51 51 ASP CA C 54 56.300 55.425 0.875 1
1 660 . 12 1 1 A 51 51 ASP HA H 54 4.010 4.468 -0.458 1
1 661 . 12 1 1 A 51 51 ASP CB C 54 40.200 39.976 0.224 1
1 664 . 12 1 1 A 51 51 ASP C C 54 176.300 176.526 -0.226 1
1 665 . 12 1 1 A 52 52 GLU N N 55 116.900 118.161 -1.261 1
1 666 . 12 1 1 A 52 52 GLU H H 55 7.100 8.085 -0.985 1
1 667 . 12 1 1 A 52 52 GLU CA C 55 56.000 56.571 -0.571 1
1 668 . 12 1 1 A 52 52 GLU HA H 55 4.200 4.498 -0.298 1
1 669 . 12 1 1 A 52 52 GLU CB C 55 30.000 29.706 0.294 1
1 675 . 12 1 1 A 52 52 GLU C C 55 175.700 176.458 -0.758 1
1 676 . 12 1 1 A 53 53 GLU N N 56 120.300 118.752 1.548 1
1 677 . 12 1 1 A 53 53 GLU H H 56 7.570 7.665 -0.095 1
1 678 . 12 1 1 A 53 53 GLU CA C 56 57.400 55.660 1.740 1
1 679 . 12 1 1 A 53 53 GLU HA H 56 4.090 4.425 -0.335 1
1 680 . 12 1 1 A 53 53 GLU CB C 56 30.300 30.603 -0.303 1
1 686 . 12 1 1 A 53 53 GLU C C 56 175.400 175.966 -0.566 1
1 687 . 12 1 1 A 54 54 GLU N N 57 123.400 122.587 0.813 1
1 688 . 12 1 1 A 54 54 GLU H H 57 8.430 8.527 -0.097 1
1 689 . 12 1 1 A 54 54 GLU CA C 57 56.500 56.416 0.084 1
1 690 . 12 1 1 A 54 54 GLU HA H 57 4.320 4.274 0.046 1
1 691 . 12 1 1 A 54 54 GLU CB C 57 32.200 30.063 2.137 1
1 697 . 12 1 1 A 54 54 GLU C C 57 174.300 175.924 -1.624 1
1 698 . 12 1 1 A 55 55 ILE N N 58 122.000 123.130 -1.130 1
1 699 . 12 1 1 A 55 55 ILE H H 58 7.850 8.509 -0.659 1
1 700 . 12 1 1 A 55 55 ILE CA C 58 60.400 59.965 0.435 1
1 701 . 12 1 1 A 55 55 ILE HA H 58 3.770 4.356 -0.586 1
1 702 . 12 1 1 A 55 55 ILE CB C 58 40.100 38.457 1.643 1
1 715 . 12 1 1 A 55 55 ILE C C 58 172.900 174.899 -1.999 1
1 716 . 12 1 1 A 56 56 PHE N N 59 124.500 126.257 -1.757 1
1 717 . 12 1 1 A 56 56 PHE H H 59 8.970 8.849 0.121 1
1 718 . 12 1 1 A 56 56 PHE CA C 59 55.900 55.963 -0.063 1
1 719 . 12 1 1 A 56 56 PHE HA H 59 4.820 5.060 -0.240 1
1 720 . 12 1 1 A 56 56 PHE CB C 59 41.900 42.123 -0.223 1
1 727 . 12 1 1 A 56 56 PHE C C 59 175.100 174.578 0.522 1
1 728 . 12 1 1 A 57 57 ASP N N 60 117.300 123.541 -6.241 1
1 729 . 12 1 1 A 57 57 ASP H H 60 8.320 8.963 -0.643 1
1 730 . 12 1 1 A 57 57 ASP CA C 60 56.400 55.984 0.416 1
1 731 . 12 1 1 A 57 57 ASP HA H 60 4.630 4.449 0.181 1
1 732 . 12 1 1 A 57 57 ASP CB C 60 42.700 40.463 2.237 1
1 735 . 12 1 1 A 57 57 ASP C C 60 177.900 176.964 0.936 1
1 736 . 12 1 1 A 58 58 GLY N N 61 114.600 113.980 0.620 1
1 737 . 12 1 1 A 58 58 GLY H H 61 9.700 9.483 0.217 1
1 738 . 12 1 1 A 58 58 GLY CA C 61 45.100 45.490 -0.390 1
1 739 . 12 1 1 A 58 58 GLY HA2 H 61 4.420 3.968 0.452 1
1 740 . 12 1 1 A 58 58 GLY HA3 H 61 3.770 3.979 -0.209 1
1 741 . 12 1 1 A 58 58 GLY C C 61 174.900 173.479 1.421 1
1 742 . 12 1 1 A 59 59 ASP N N 62 122.200 120.988 1.212 1
1 743 . 12 1 1 A 59 59 ASP H H 62 8.350 7.791 0.559 1
1 744 . 12 1 1 A 59 59 ASP CA C 62 55.900 53.051 2.849 1
1 745 . 12 1 1 A 59 59 ASP HA H 62 4.940 5.062 -0.122 1
1 746 . 12 1 1 A 59 59 ASP CB C 62 42.500 43.267 -0.767 1
1 749 . 12 1 1 A 59 59 ASP C C 62 176.000 175.186 0.814 1
1 750 . 12 1 1 A 60 60 ILE N N 63 119.100 122.330 -3.230 1
1 751 . 12 1 1 A 60 60 ILE H H 63 8.400 8.604 -0.204 1
1 752 . 12 1 1 A 60 60 ILE CA C 63 60.700 59.951 0.749 1
1 753 . 12 1 1 A 60 60 ILE HA H 63 4.690 4.849 -0.159 1
1 754 . 12 1 1 A 60 60 ILE CB C 63 39.700 39.694 0.006 1
1 767 . 12 1 1 A 60 60 ILE C C 63 175.400 174.631 0.769 1
1 768 . 12 1 1 A 61 61 ILE N N 64 130.300 128.438 1.862 1
1 769 . 12 1 1 A 61 61 ILE H H 64 9.550 9.485 0.065 1
1 770 . 12 1 1 A 61 61 ILE CA C 64 58.300 60.059 -1.759 1
1 771 . 12 1 1 A 61 61 ILE HA H 64 5.230 4.874 0.356 1
1 772 . 12 1 1 A 61 61 ILE CB C 64 38.700 39.427 -0.727 1
1 785 . 12 1 1 A 61 61 ILE C C 64 174.400 175.265 -0.865 1
1 786 . 12 1 1 A 62 62 GLU N N 65 126.800 126.715 0.085 1
1 787 . 12 1 1 A 62 62 GLU H H 65 9.340 9.388 -0.048 1
1 788 . 12 1 1 A 62 62 GLU CA C 65 54.500 54.630 -0.130 1
1 789 . 12 1 1 A 62 62 GLU HA H 65 5.080 5.302 -0.222 1
1 790 . 12 1 1 A 62 62 GLU CB C 65 33.300 32.727 0.573 1
1 796 . 12 1 1 A 62 62 GLU C C 65 174.300 175.337 -1.037 1
1 797 . 12 1 1 A 63 63 VAL N N 66 124.300 123.835 0.465 1
1 798 . 12 1 1 A 63 63 VAL H H 66 8.710 9.293 -0.583 1
1 799 . 12 1 1 A 63 63 VAL CA C 66 61.900 61.529 0.371 1
1 800 . 12 1 1 A 63 63 VAL HA H 66 4.420 4.723 -0.303 1
1 801 . 12 1 1 A 63 63 VAL CB C 66 32.600 33.854 -1.254 1
1 811 . 12 1 1 A 63 63 VAL C C 66 175.300 174.541 0.759 1
1 812 . 12 1 1 A 64 64 ILE N N 67 131.200 127.909 3.291 1
1 813 . 12 1 1 A 64 64 ILE H H 67 9.180 9.142 0.038 1
1 814 . 12 1 1 A 64 64 ILE CA C 67 60.200 60.588 -0.388 1
1 815 . 12 1 1 A 64 64 ILE HA H 67 4.360 4.734 -0.374 1
1 816 . 12 1 1 A 64 64 ILE CB C 67 40.400 39.431 0.969 1
1 829 . 12 1 1 A 64 64 ILE C C 67 175.300 175.684 -0.384 1
1 830 . 12 1 1 A 65 65 ARG N N 68 126.900 127.694 -0.794 1
1 831 . 12 1 1 A 65 65 ARG H H 68 9.020 8.429 0.591 1
1 832 . 12 1 1 A 65 65 ARG CA C 68 57.200 56.046 1.154 1
1 833 . 12 1 1 A 65 65 ARG HA H 68 4.480 4.332 0.148 1
1 834 . 12 1 1 A 65 65 ARG CB C 68 30.500 30.633 -0.133 1
1 843 . 12 1 1 A 65 65 ARG C C 68 176.800 175.273 1.527 1
1 844 . 12 1 1 A 66 66 VAL N N 69 122.300 123.288 -0.988 1
1 845 . 12 1 1 A 66 66 VAL H H 69 8.280 8.127 0.153 1
1 846 . 12 1 1 A 66 66 VAL CA C 69 62.200 61.747 0.453 1
1 847 . 12 1 1 A 66 66 VAL HA H 69 4.100 4.577 -0.477 1
1 848 . 12 1 1 A 66 66 VAL CB C 69 32.800 32.414 0.386 1
1 858 . 12 1 1 A 66 66 VAL C C 69 175.500 174.686 0.814 1
1 859 . 12 1 1 A 67 67 ILE N N 70 124.000 130.368 -6.368 1
1 860 . 12 1 1 A 67 67 ILE H H 70 7.930 8.870 -0.940 1
1 861 . 12 1 1 A 67 67 ILE CA C 70 60.300 59.604 0.696 1
1 862 . 12 1 1 A 67 67 ILE HA H 70 4.210 4.698 -0.488 1
1 863 . 12 1 1 A 67 67 ILE CB C 70 38.900 40.201 -1.301 1
1 876 . 12 1 1 A 67 67 ILE C C 70 175.500 174.569 0.931 1
1 877 . 12 1 1 A 68 68 TYR N N 71 126.200 129.119 -2.919 1
1 878 . 12 1 1 A 68 68 TYR H H 71 8.450 8.872 -0.422 1
1 879 . 12 1 1 A 68 68 TYR CA C 71 57.900 57.075 0.825 1
1 880 . 12 1 1 A 68 68 TYR HA H 71 4.590 4.860 -0.270 1
1 881 . 12 1 1 A 68 68 TYR CB C 71 39.000 37.764 1.236 1
1 886 . 12 1 1 A 68 68 TYR C C 71 176.200 175.102 1.098 1
1 887 . 12 1 1 A 69 69 GLY N N 72 112.000 112.085 -0.085 1
1 888 . 12 1 1 A 69 69 GLY H H 72 8.370 8.390 -0.020 1
1 889 . 12 1 1 A 69 69 GLY CA C 72 45.300 45.615 -0.315 1
1 890 . 12 1 1 A 69 69 GLY HA2 H 72 3.910 3.920 -0.010 1
1 891 . 12 1 1 A 69 69 GLY HA3 H 72 3.910 3.972 -0.062 1
1 892 . 12 1 1 A 69 69 GLY C C 72 173.500 173.791 -0.291 1
1 10 . 13 1 1 A 2 2 VAL N N 5 122.400 126.236 -3.836 1
1 11 . 13 1 1 A 2 2 VAL H H 5 8.290 9.071 -0.781 1
1 12 . 13 1 1 A 2 2 VAL CA C 5 62.400 62.393 0.007 1
1 13 . 13 1 1 A 2 2 VAL HA H 5 4.120 4.429 -0.309 1
1 14 . 13 1 1 A 2 2 VAL CB C 5 32.600 31.222 1.378 1
1 24 . 13 1 1 A 2 2 VAL C C 5 175.700 174.661 1.039 1
1 25 . 13 1 1 A 3 3 ILE N N 6 125.000 128.131 -3.131 1
1 26 . 13 1 1 A 3 3 ILE H H 6 8.240 8.732 -0.492 1
1 27 . 13 1 1 A 3 3 ILE CA C 6 60.900 59.113 1.787 1
1 28 . 13 1 1 A 3 3 ILE HA H 6 4.210 4.705 -0.495 1
1 29 . 13 1 1 A 3 3 ILE CB C 6 38.700 40.061 -1.361 1
1 42 . 13 1 1 A 3 3 ILE C C 6 176.000 175.436 0.564 1
1 43 . 13 1 1 A 4 4 GLY N N 7 112.900 116.808 -3.908 1
1 44 . 13 1 1 A 4 4 GLY H H 7 8.330 8.369 -0.039 1
1 45 . 13 1 1 A 4 4 GLY CA C 7 45.300 44.528 0.772 1
1 46 . 13 1 1 A 4 4 GLY HA2 H 7 4.140 4.200 -0.060 1
1 47 . 13 1 1 A 4 4 GLY HA3 H 7 4.020 4.207 -0.187 1
1 48 . 13 1 1 A 4 4 GLY C C 7 172.800 172.885 -0.085 1
1 49 . 13 1 1 A 5 5 MET N N 8 118.400 118.802 -0.402 1
1 50 . 13 1 1 A 5 5 MET H H 8 8.540 8.781 -0.241 1
1 51 . 13 1 1 A 5 5 MET CA C 8 54.800 54.127 0.673 1
1 52 . 13 1 1 A 5 5 MET HA H 8 4.820 5.449 -0.629 1
1 53 . 13 1 1 A 5 5 MET CB C 8 35.500 36.486 -0.986 1
1 63 . 13 1 1 A 5 5 MET C C 8 174.100 174.825 -0.725 1
1 64 . 13 1 1 A 6 6 LYS N N 9 122.000 123.343 -1.343 1
1 65 . 13 1 1 A 6 6 LYS H H 9 9.150 9.239 -0.089 1
1 66 . 13 1 1 A 6 6 LYS CA C 9 55.100 55.257 -0.157 1
1 67 . 13 1 1 A 6 6 LYS HA H 9 5.430 4.937 0.493 1
1 68 . 13 1 1 A 6 6 LYS CB C 9 36.100 33.323 2.777 1
1 80 . 13 1 1 A 6 6 LYS C C 9 174.500 175.642 -1.142 1
1 81 . 13 1 1 A 7 7 PHE N N 10 119.300 120.455 -1.155 1
1 82 . 13 1 1 A 7 7 PHE H H 10 8.670 8.332 0.338 1
1 83 . 13 1 1 A 7 7 PHE CA C 10 55.700 55.795 -0.095 1
1 84 . 13 1 1 A 7 7 PHE HA H 10 5.190 5.523 -0.333 1
1 85 . 13 1 1 A 7 7 PHE CB C 10 40.100 42.523 -2.423 1
1 92 . 13 1 1 A 7 7 PHE C C 10 172.400 172.429 -0.029 1
1 93 . 13 1 1 A 8 8 THR N N 11 116.500 115.470 1.030 1
1 94 . 13 1 1 A 8 8 THR H H 11 8.440 8.615 -0.175 1
1 95 . 13 1 1 A 8 8 THR CA C 11 62.200 59.709 2.491 1
1 96 . 13 1 1 A 8 8 THR HA H 11 5.070 5.175 -0.105 1
1 97 . 13 1 1 A 8 8 THR CB C 11 70.800 71.824 -1.024 1
1 103 . 13 1 1 A 8 8 THR C C 11 173.300 172.267 1.033 1
1 104 . 13 1 1 A 9 9 VAL N N 12 126.200 125.543 0.657 1
1 105 . 13 1 1 A 9 9 VAL H H 12 9.400 9.294 0.106 1
1 106 . 13 1 1 A 9 9 VAL CA C 12 60.700 59.725 0.975 1
1 107 . 13 1 1 A 9 9 VAL HA H 12 5.090 5.540 -0.450 1
1 108 . 13 1 1 A 9 9 VAL CB C 12 34.100 34.246 -0.146 1
1 118 . 13 1 1 A 9 9 VAL C C 12 174.500 173.217 1.283 1
1 119 . 13 1 1 A 10 10 ILE N N 13 129.600 130.099 -0.499 1
1 120 . 13 1 1 A 10 10 ILE H H 13 9.560 9.289 0.271 1
1 121 . 13 1 1 A 10 10 ILE CA C 13 61.400 59.450 1.950 1
1 122 . 13 1 1 A 10 10 ILE HA H 13 4.640 5.325 -0.685 1
1 123 . 13 1 1 A 10 10 ILE CB C 13 39.700 40.739 -1.039 1
1 136 . 13 1 1 A 10 10 ILE C C 13 175.200 174.124 1.076 1
1 137 . 13 1 1 A 11 11 THR N N 14 116.800 122.526 -5.726 1
1 138 . 13 1 1 A 11 11 THR H H 14 8.430 8.883 -0.453 1
1 139 . 13 1 1 A 11 11 THR CA C 14 59.200 60.863 -1.663 1
1 140 . 13 1 1 A 11 11 THR HA H 14 5.160 4.897 0.263 1
1 141 . 13 1 1 A 11 11 THR CB C 14 71.900 72.830 -0.930 1
1 147 . 13 1 1 A 11 11 THR C C 14 175.800 174.224 1.576 1
1 148 . 13 1 1 A 12 12 ASP N N 15 120.000 122.481 -2.481 1
1 149 . 13 1 1 A 12 12 ASP H H 15 9.010 8.982 0.028 1
1 150 . 13 1 1 A 12 12 ASP CA C 15 56.900 57.322 -0.422 1
1 151 . 13 1 1 A 12 12 ASP HA H 15 4.440 4.340 0.100 1
1 152 . 13 1 1 A 12 12 ASP CB C 15 40.900 40.337 0.563 1
1 155 . 13 1 1 A 12 12 ASP C C 15 176.600 177.142 -0.542 1
1 156 . 13 1 1 A 13 13 ASP N N 16 115.300 117.724 -2.424 1
1 157 . 13 1 1 A 13 13 ASP H H 16 8.090 7.805 0.285 1
1 158 . 13 1 1 A 13 13 ASP CA C 16 53.400 53.860 -0.460 1
1 159 . 13 1 1 A 13 13 ASP HA H 16 4.730 4.683 0.047 1
1 160 . 13 1 1 A 13 13 ASP CB C 16 41.800 41.100 0.700 1
1 163 . 13 1 1 A 13 13 ASP C C 16 175.700 176.177 -0.477 1
1 164 . 13 1 1 A 14 14 GLY N N 17 108.000 107.527 0.473 1
1 165 . 13 1 1 A 14 14 GLY H H 17 7.610 7.870 -0.260 1
1 166 . 13 1 1 A 14 14 GLY CA C 17 44.900 43.928 0.972 1
1 167 . 13 1 1 A 14 14 GLY HA2 H 17 4.450 4.044 0.406 1
1 168 . 13 1 1 A 14 14 GLY HA3 H 17 3.860 4.046 -0.186 1
1 169 . 13 1 1 A 14 14 GLY C C 17 171.800 172.236 -0.436 1
1 170 . 13 1 1 A 15 15 LYS N N 18 120.600 121.126 -0.526 1
1 171 . 13 1 1 A 15 15 LYS H H 18 8.430 8.454 -0.024 1
1 172 . 13 1 1 A 15 15 LYS CA C 18 55.400 55.161 0.239 1
1 173 . 13 1 1 A 15 15 LYS HA H 18 5.080 5.142 -0.062 1
1 174 . 13 1 1 A 15 15 LYS CB C 18 34.600 34.726 -0.126 1
1 186 . 13 1 1 A 15 15 LYS C C 18 175.600 175.261 0.339 1
1 187 . 13 1 1 A 16 16 LYS N N 19 125.700 126.208 -0.508 1
1 188 . 13 1 1 A 16 16 LYS H H 19 9.160 9.179 -0.019 1
1 189 . 13 1 1 A 16 16 LYS CA C 19 55.000 54.505 0.495 1
1 190 . 13 1 1 A 16 16 LYS HA H 19 4.620 5.169 -0.549 1
1 191 . 13 1 1 A 16 16 LYS CB C 19 36.100 36.183 -0.083 1
1 201 . 13 1 1 A 16 16 LYS C C 19 174.000 174.667 -0.667 1
1 202 . 13 1 1 A 17 17 ILE N N 20 123.800 124.646 -0.846 1
1 203 . 13 1 1 A 17 17 ILE H H 20 8.420 8.651 -0.231 1
1 204 . 13 1 1 A 17 17 ILE CA C 20 60.400 60.143 0.257 1
1 205 . 13 1 1 A 17 17 ILE HA H 20 4.620 4.605 0.015 1
1 206 . 13 1 1 A 17 17 ILE CB C 20 37.900 40.303 -2.403 1
1 219 . 13 1 1 A 17 17 ILE C C 20 175.700 175.000 0.700 1
1 220 . 13 1 1 A 18 18 LEU N N 21 130.500 125.523 4.977 1
1 221 . 13 1 1 A 18 18 LEU H H 21 8.600 8.897 -0.297 1
1 222 . 13 1 1 A 18 18 LEU CA C 21 53.500 52.639 0.861 1
1 223 . 13 1 1 A 18 18 LEU HA H 21 4.490 5.121 -0.631 1
1 224 . 13 1 1 A 18 18 LEU CB C 21 44.500 46.197 -1.697 1
1 236 . 13 1 1 A 18 18 LEU C C 21 174.000 174.098 -0.098 1
1 237 . 13 1 1 A 19 19 GLU N N 22 116.200 120.682 -4.482 1
1 238 . 13 1 1 A 19 19 GLU H H 22 7.940 9.007 -1.067 1
1 239 . 13 1 1 A 19 19 GLU CA C 22 53.800 54.448 -0.648 1
1 240 . 13 1 1 A 19 19 GLU HA H 22 5.280 5.112 0.168 1
1 241 . 13 1 1 A 19 19 GLU CB C 22 33.400 33.082 0.318 1
1 247 . 13 1 1 A 19 19 GLU C C 22 176.600 174.726 1.874 1
1 248 . 13 1 1 A 20 20 SER N N 23 114.700 124.023 -9.323 1
1 249 . 13 1 1 A 20 20 SER H H 23 8.630 8.958 -0.328 1
1 250 . 13 1 1 A 20 20 SER CA C 23 57.400 57.783 -0.383 1
1 251 . 13 1 1 A 20 20 SER HA H 23 4.780 5.003 -0.223 1
1 252 . 13 1 1 A 20 20 SER CB C 23 65.900 64.877 1.023 1
1 255 . 13 1 1 A 20 20 SER C C 23 174.100 175.135 -1.035 1
1 256 . 13 1 1 A 21 21 GLY N N 24 109.400 112.621 -3.221 1
1 257 . 13 1 1 A 21 21 GLY H H 24 8.340 8.859 -0.519 1
1 258 . 13 1 1 A 21 21 GLY CA C 24 45.100 45.651 -0.551 1
1 259 . 13 1 1 A 21 21 GLY HA2 H 24 4.470 3.827 0.643 1
1 260 . 13 1 1 A 21 21 GLY HA3 H 24 3.790 3.837 -0.047 1
1 261 . 13 1 1 A 21 21 GLY C C 24 172.600 174.077 -1.477 1
1 262 . 13 1 1 A 22 22 ALA N N 25 122.500 121.815 0.685 1
1 263 . 13 1 1 A 22 22 ALA H H 25 7.790 7.613 0.177 1
1 264 . 13 1 1 A 22 22 ALA CA C 25 49.900 49.575 0.325 1
1 265 . 13 1 1 A 22 22 ALA HA H 25 4.780 4.917 -0.137 1
1 269 . 13 1 1 A 22 22 ALA CB C 25 20.600 21.895 -1.295 1
1 271 . 13 1 1 A 23 23 PRO CA C 26 63.700 63.013 0.687 1
1 272 . 13 1 1 A 23 23 PRO HA H 26 4.400 4.554 -0.154 1
1 273 . 13 1 1 A 23 23 PRO CB C 26 31.900 31.857 0.043 1
1 281 . 13 1 1 A 23 23 PRO C C 26 176.500 175.937 0.563 1
1 282 . 13 1 1 A 24 24 ARG N N 27 120.200 122.626 -2.426 1
1 283 . 13 1 1 A 24 24 ARG H H 27 7.810 7.948 -0.138 1
1 284 . 13 1 1 A 24 24 ARG CA C 27 53.800 54.303 -0.503 1
1 285 . 13 1 1 A 24 24 ARG HA H 27 4.680 4.787 -0.107 1
1 286 . 13 1 1 A 24 24 ARG CB C 27 35.600 33.981 1.619 1
1 295 . 13 1 1 A 24 24 ARG C C 27 174.300 174.475 -0.175 1
1 296 . 13 1 1 A 25 25 ARG N N 28 119.300 120.943 -1.643 1
1 297 . 13 1 1 A 25 25 ARG H H 28 8.900 8.532 0.368 1
1 298 . 13 1 1 A 25 25 ARG CA C 28 54.200 54.137 0.063 1
1 299 . 13 1 1 A 25 25 ARG HA H 28 4.870 4.497 0.373 1
1 300 . 13 1 1 A 25 25 ARG CB C 28 32.200 32.432 -0.232 1
1 309 . 13 1 1 A 25 25 ARG C C 28 178.300 177.271 1.029 1
1 310 . 13 1 1 A 26 26 ILE N N 29 123.500 123.337 0.163 1
1 311 . 13 1 1 A 26 26 ILE H H 29 8.630 9.369 -0.739 1
1 312 . 13 1 1 A 26 26 ILE CA C 29 65.200 64.930 0.270 1
1 313 . 13 1 1 A 26 26 ILE HA H 29 3.410 3.621 -0.211 1
1 314 . 13 1 1 A 26 26 ILE CB C 29 36.500 37.559 -1.059 1
1 327 . 13 1 1 A 26 26 ILE C C 29 178.600 178.103 0.497 1
1 328 . 13 1 1 A 27 27 LYS N N 30 115.100 120.805 -5.705 1
1 329 . 13 1 1 A 27 27 LYS H H 30 8.900 8.368 0.532 1
1 330 . 13 1 1 A 27 27 LYS CA C 30 59.300 58.547 0.753 1
1 331 . 13 1 1 A 27 27 LYS HA H 30 3.900 3.986 -0.086 1
1 332 . 13 1 1 A 27 27 LYS CB C 30 31.700 31.993 -0.293 1
1 344 . 13 1 1 A 27 27 LYS C C 30 178.000 177.692 0.308 1
1 345 . 13 1 1 A 28 28 ASP N N 31 119.700 119.814 -0.114 1
1 346 . 13 1 1 A 28 28 ASP H H 31 7.180 8.030 -0.850 1
1 347 . 13 1 1 A 28 28 ASP CA C 31 56.900 57.288 -0.388 1
1 348 . 13 1 1 A 28 28 ASP HA H 31 4.480 4.429 0.051 1
1 349 . 13 1 1 A 28 28 ASP CB C 31 41.300 41.124 0.176 1
1 352 . 13 1 1 A 28 28 ASP C C 31 178.600 178.620 -0.020 1
1 353 . 13 1 1 A 29 29 VAL N N 32 122.100 119.554 2.546 1
1 354 . 13 1 1 A 29 29 VAL H H 32 7.410 7.816 -0.406 1
1 355 . 13 1 1 A 29 29 VAL CA C 32 65.900 66.492 -0.592 1
1 356 . 13 1 1 A 29 29 VAL HA H 32 3.730 3.613 0.117 1
1 357 . 13 1 1 A 29 29 VAL CB C 32 32.000 31.828 0.172 1
1 367 . 13 1 1 A 29 29 VAL C C 32 177.600 178.200 -0.600 1
1 368 . 13 1 1 A 30 30 LEU N N 33 118.000 120.666 -2.666 1
1 369 . 13 1 1 A 30 30 LEU H H 33 8.380 8.874 -0.494 1
1 370 . 13 1 1 A 30 30 LEU CA C 33 58.500 57.818 0.682 1
1 371 . 13 1 1 A 30 30 LEU HA H 33 3.910 3.967 -0.057 1
1 372 . 13 1 1 A 30 30 LEU CB C 33 39.200 41.812 -2.612 1
1 385 . 13 1 1 A 30 30 LEU C C 33 179.200 178.988 0.212 1
1 386 . 13 1 1 A 31 31 GLY N N 34 104.500 106.593 -2.093 1
1 387 . 13 1 1 A 31 31 GLY H H 34 7.730 8.264 -0.534 1
1 388 . 13 1 1 A 31 31 GLY CA C 34 47.100 47.273 -0.173 1
1 389 . 13 1 1 A 31 31 GLY HA2 H 34 3.940 3.752 0.188 1
1 390 . 13 1 1 A 31 31 GLY HA3 H 34 3.940 3.755 0.185 1
1 391 . 13 1 1 A 31 31 GLY C C 34 177.500 175.803 1.697 1
1 392 . 13 1 1 A 32 32 GLU N N 35 124.300 121.380 2.920 1
1 393 . 13 1 1 A 32 32 GLU H H 35 7.750 7.923 -0.173 1
1 394 . 13 1 1 A 32 32 GLU CA C 35 59.100 58.902 0.198 1
1 395 . 13 1 1 A 32 32 GLU HA H 35 4.130 4.130 0.000 1
1 396 . 13 1 1 A 32 32 GLU CB C 35 29.800 29.475 0.325 1
1 402 . 13 1 1 A 32 32 GLU C C 35 178.300 178.919 -0.619 1
1 403 . 13 1 1 A 33 33 LEU N N 36 117.300 117.934 -0.634 1
1 404 . 13 1 1 A 33 33 LEU H H 36 7.750 7.922 -0.172 1
1 405 . 13 1 1 A 33 33 LEU CA C 36 55.000 55.139 -0.139 1
1 406 . 13 1 1 A 33 33 LEU HA H 36 4.270 4.211 0.059 1
1 407 . 13 1 1 A 33 33 LEU CB C 36 42.100 42.162 -0.062 1
1 420 . 13 1 1 A 33 33 LEU C C 36 175.200 176.365 -1.165 1
1 421 . 13 1 1 A 34 34 GLU N N 37 115.500 118.571 -3.071 1
1 422 . 13 1 1 A 34 34 GLU H H 37 7.780 7.819 -0.039 1
1 423 . 13 1 1 A 34 34 GLU CA C 37 57.200 57.472 -0.272 1
1 424 . 13 1 1 A 34 34 GLU HA H 37 3.830 3.990 -0.160 1
1 425 . 13 1 1 A 34 34 GLU CB C 37 26.700 28.290 -1.590 1
1 431 . 13 1 1 A 34 34 GLU C C 37 175.300 174.899 0.401 1
1 432 . 13 1 1 A 35 35 ILE N N 38 121.300 119.435 1.865 1
1 433 . 13 1 1 A 35 35 ILE H H 38 8.010 7.779 0.231 1
1 434 . 13 1 1 A 35 35 ILE CA C 38 58.300 57.391 0.909 1
1 435 . 13 1 1 A 35 35 ILE HA H 38 4.410 4.547 -0.137 1
1 436 . 13 1 1 A 35 35 ILE CB C 38 40.300 40.192 0.108 1
1 450 . 13 1 1 A 36 36 PRO CA C 39 62.400 62.977 -0.577 1
1 451 . 13 1 1 A 36 36 PRO HA H 39 4.470 4.639 -0.169 1
1 452 . 13 1 1 A 36 36 PRO CB C 39 31.600 31.984 -0.384 1
1 460 . 13 1 1 A 36 36 PRO C C 39 179.200 177.899 1.301 1
1 461 . 13 1 1 A 37 37 ILE N N 40 127.500 125.511 1.989 1
1 462 . 13 1 1 A 37 37 ILE H H 40 8.350 8.950 -0.600 1
1 463 . 13 1 1 A 37 37 ILE CA C 40 63.700 63.109 0.591 1
1 464 . 13 1 1 A 37 37 ILE HA H 40 3.750 4.039 -0.289 1
1 465 . 13 1 1 A 37 37 ILE CB C 40 38.600 38.204 0.396 1
1 478 . 13 1 1 A 37 37 ILE C C 40 176.100 177.692 -1.592 1
1 479 . 13 1 1 A 38 38 GLU N N 41 118.500 121.026 -2.526 1
1 480 . 13 1 1 A 38 38 GLU H H 41 9.370 8.248 1.122 1
1 481 . 13 1 1 A 38 38 GLU CA C 41 58.400 59.390 -0.990 1
1 482 . 13 1 1 A 38 38 GLU HA H 41 4.330 4.069 0.261 1
1 483 . 13 1 1 A 38 38 GLU CB C 41 28.500 29.462 -0.962 1
1 489 . 13 1 1 A 38 38 GLU C C 41 177.600 177.551 0.049 1
1 490 . 13 1 1 A 39 39 THR N N 42 107.400 113.904 -6.504 1
1 491 . 13 1 1 A 39 39 THR H H 42 7.810 7.497 0.313 1
1 492 . 13 1 1 A 39 39 THR CA C 42 61.600 62.559 -0.959 1
1 493 . 13 1 1 A 39 39 THR HA H 42 4.520 4.429 0.091 1
1 494 . 13 1 1 A 39 39 THR CB C 42 70.300 69.684 0.616 1
1 500 . 13 1 1 A 39 39 THR C C 42 174.000 174.194 -0.194 1
1 501 . 13 1 1 A 40 40 VAL N N 43 112.000 118.922 -6.922 1
1 502 . 13 1 1 A 40 40 VAL H H 43 7.230 7.390 -0.160 1
1 503 . 13 1 1 A 40 40 VAL CA C 43 59.100 58.964 0.136 1
1 504 . 13 1 1 A 40 40 VAL HA H 43 5.420 4.917 0.503 1
1 505 . 13 1 1 A 40 40 VAL CB C 43 36.400 35.386 1.014 1
1 515 . 13 1 1 A 40 40 VAL C C 43 175.200 173.858 1.342 1
1 516 . 13 1 1 A 41 41 VAL N N 44 120.400 123.357 -2.957 1
1 517 . 13 1 1 A 41 41 VAL H H 44 9.080 9.461 -0.381 1
1 518 . 13 1 1 A 41 41 VAL CA C 44 61.500 59.799 1.701 1
1 519 . 13 1 1 A 41 41 VAL HA H 44 4.230 4.960 -0.730 1
1 520 . 13 1 1 A 41 41 VAL CB C 44 34.600 34.347 0.253 1
1 530 . 13 1 1 A 41 41 VAL C C 44 174.000 173.727 0.273 1
1 531 . 13 1 1 A 42 42 VAL N N 45 123.400 128.133 -4.733 1
1 532 . 13 1 1 A 42 42 VAL H H 45 8.820 8.964 -0.144 1
1 533 . 13 1 1 A 42 42 VAL CA C 45 60.000 60.873 -0.873 1
1 534 . 13 1 1 A 42 42 VAL HA H 45 5.120 4.985 0.135 1
1 535 . 13 1 1 A 42 42 VAL CB C 45 34.300 34.349 -0.049 1
1 545 . 13 1 1 A 42 42 VAL C C 45 174.700 174.786 -0.086 1
1 546 . 13 1 1 A 43 43 LYS N N 46 121.700 126.514 -4.814 1
1 547 . 13 1 1 A 43 43 LYS H H 46 8.920 9.338 -0.418 1
1 548 . 13 1 1 A 43 43 LYS CA C 46 53.800 54.628 -0.828 1
1 549 . 13 1 1 A 43 43 LYS HA H 46 5.180 5.220 -0.040 1
1 550 . 13 1 1 A 43 43 LYS CB C 46 36.900 35.575 1.325 1
1 562 . 13 1 1 A 43 43 LYS C C 46 175.600 174.688 0.912 1
1 563 . 13 1 1 A 44 44 LYS N N 47 122.300 124.359 -2.059 1
1 564 . 13 1 1 A 44 44 LYS H H 47 9.240 9.098 0.142 1
1 565 . 13 1 1 A 44 44 LYS CA C 47 54.400 55.528 -1.128 1
1 566 . 13 1 1 A 44 44 LYS HA H 47 5.190 4.548 0.642 1
1 567 . 13 1 1 A 44 44 LYS CB C 47 36.100 33.577 2.523 1
1 578 . 13 1 1 A 44 44 LYS C C 47 176.000 176.660 -0.660 1
1 579 . 13 1 1 A 45 45 ASN N N 48 129.600 124.741 4.859 1
1 580 . 13 1 1 A 45 45 ASN H H 48 9.980 9.572 0.408 1
1 581 . 13 1 1 A 45 45 ASN CA C 48 54.300 55.103 -0.803 1
1 582 . 13 1 1 A 45 45 ASN HA H 48 4.490 4.608 -0.118 1
1 583 . 13 1 1 A 45 45 ASN CB C 48 37.200 37.946 -0.746 1
1 589 . 13 1 1 A 45 45 ASN C C 48 175.800 175.046 0.754 1
1 590 . 13 1 1 A 46 46 GLY N N 49 103.200 104.906 -1.706 1
1 591 . 13 1 1 A 46 46 GLY H H 49 9.340 8.502 0.838 1
1 592 . 13 1 1 A 46 46 GLY CA C 49 45.200 45.684 -0.484 1
1 593 . 13 1 1 A 46 46 GLY HA2 H 49 4.300 4.089 0.211 1
1 594 . 13 1 1 A 46 46 GLY HA3 H 49 3.650 4.091 -0.441 1
1 595 . 13 1 1 A 46 46 GLY C C 49 173.600 173.289 0.311 1
1 596 . 13 1 1 A 47 47 GLN N N 50 119.700 118.879 0.821 1
1 597 . 13 1 1 A 47 47 GLN H H 50 7.690 7.684 0.006 1
1 598 . 13 1 1 A 47 47 GLN CA C 50 53.500 54.218 -0.718 1
1 599 . 13 1 1 A 47 47 GLN HA H 50 4.770 4.795 -0.025 1
1 600 . 13 1 1 A 47 47 GLN CB C 50 31.300 31.897 -0.597 1
1 606 . 13 1 1 A 47 47 GLN C C 50 175.000 174.835 0.165 1
1 607 . 13 1 1 A 48 48 ILE N N 51 125.800 123.932 1.868 1
1 608 . 13 1 1 A 48 48 ILE H H 51 8.790 8.702 0.088 1
1 609 . 13 1 1 A 48 48 ILE CA C 51 63.000 62.423 0.577 1
1 610 . 13 1 1 A 48 48 ILE HA H 51 4.380 4.305 0.075 1
1 611 . 13 1 1 A 48 48 ILE CB C 51 37.400 37.497 -0.097 1
1 624 . 13 1 1 A 48 48 ILE C C 51 176.500 175.825 0.675 1
1 625 . 13 1 1 A 49 49 VAL N N 52 121.900 121.521 0.379 1
1 626 . 13 1 1 A 49 49 VAL H H 52 8.290 9.119 -0.829 1
1 627 . 13 1 1 A 49 49 VAL CA C 52 58.900 59.619 -0.719 1
1 628 . 13 1 1 A 49 49 VAL HA H 52 4.860 5.093 -0.233 1
1 629 . 13 1 1 A 49 49 VAL CB C 52 35.700 35.719 -0.019 1
1 639 . 13 1 1 A 50 50 ILE N N 53 114.600 116.783 -2.183 1
1 640 . 13 1 1 A 50 50 ILE H H 53 8.020 8.357 -0.337 1
1 641 . 13 1 1 A 50 50 ILE CA C 53 60.500 58.808 1.692 1
1 642 . 13 1 1 A 50 50 ILE HA H 53 4.610 4.466 0.144 1
1 643 . 13 1 1 A 50 50 ILE CB C 53 39.500 39.469 0.031 1
1 656 . 13 1 1 A 50 50 ILE C C 53 177.000 176.871 0.129 1
1 657 . 13 1 1 A 51 51 ASP N N 54 118.300 121.039 -2.739 1
1 658 . 13 1 1 A 51 51 ASP H H 54 8.390 8.860 -0.470 1
1 659 . 13 1 1 A 51 51 ASP CA C 54 56.300 56.423 -0.123 1
1 660 . 13 1 1 A 51 51 ASP HA H 54 4.010 4.450 -0.440 1
1 661 . 13 1 1 A 51 51 ASP CB C 54 40.200 40.185 0.015 1
1 664 . 13 1 1 A 51 51 ASP C C 54 176.300 177.290 -0.990 1
1 665 . 13 1 1 A 52 52 GLU N N 55 116.900 118.694 -1.794 1
1 666 . 13 1 1 A 52 52 GLU H H 55 7.100 7.859 -0.759 1
1 667 . 13 1 1 A 52 52 GLU CA C 55 56.000 56.485 -0.485 1
1 668 . 13 1 1 A 52 52 GLU HA H 55 4.200 4.310 -0.110 1
1 669 . 13 1 1 A 52 52 GLU CB C 55 30.000 29.723 0.277 1
1 675 . 13 1 1 A 52 52 GLU C C 55 175.700 176.741 -1.041 1
1 676 . 13 1 1 A 53 53 GLU N N 56 120.300 119.735 0.565 1
1 677 . 13 1 1 A 53 53 GLU H H 56 7.570 7.707 -0.137 1
1 678 . 13 1 1 A 53 53 GLU CA C 56 57.400 55.561 1.839 1
1 679 . 13 1 1 A 53 53 GLU HA H 56 4.090 4.428 -0.338 1
1 680 . 13 1 1 A 53 53 GLU CB C 56 30.300 30.126 0.174 1
1 686 . 13 1 1 A 53 53 GLU C C 56 175.400 176.138 -0.738 1
1 687 . 13 1 1 A 54 54 GLU N N 57 123.400 120.916 2.484 1
1 688 . 13 1 1 A 54 54 GLU H H 57 8.430 8.477 -0.047 1
1 689 . 13 1 1 A 54 54 GLU CA C 57 56.500 55.635 0.865 1
1 690 . 13 1 1 A 54 54 GLU HA H 57 4.320 4.405 -0.085 1
1 691 . 13 1 1 A 54 54 GLU CB C 57 32.200 30.772 1.428 1
1 697 . 13 1 1 A 54 54 GLU C C 57 174.300 175.611 -1.311 1
1 698 . 13 1 1 A 55 55 ILE N N 58 122.000 121.245 0.755 1
1 699 . 13 1 1 A 55 55 ILE H H 58 7.850 7.960 -0.110 1
1 700 . 13 1 1 A 55 55 ILE CA C 58 60.400 59.919 0.481 1
1 701 . 13 1 1 A 55 55 ILE HA H 58 3.770 4.600 -0.830 1
1 702 . 13 1 1 A 55 55 ILE CB C 58 40.100 39.556 0.544 1
1 715 . 13 1 1 A 55 55 ILE C C 58 172.900 174.664 -1.764 1
1 716 . 13 1 1 A 56 56 PHE N N 59 124.500 125.813 -1.313 1
1 717 . 13 1 1 A 56 56 PHE H H 59 8.970 8.894 0.076 1
1 718 . 13 1 1 A 56 56 PHE CA C 59 55.900 56.293 -0.393 1
1 719 . 13 1 1 A 56 56 PHE HA H 59 4.820 5.066 -0.246 1
1 720 . 13 1 1 A 56 56 PHE CB C 59 41.900 42.575 -0.675 1
1 727 . 13 1 1 A 56 56 PHE C C 59 175.100 174.759 0.341 1
1 728 . 13 1 1 A 57 57 ASP N N 60 117.300 123.460 -6.160 1
1 729 . 13 1 1 A 57 57 ASP H H 60 8.320 8.849 -0.529 1
1 730 . 13 1 1 A 57 57 ASP CA C 60 56.400 55.571 0.829 1
1 731 . 13 1 1 A 57 57 ASP HA H 60 4.630 4.528 0.102 1
1 732 . 13 1 1 A 57 57 ASP CB C 60 42.700 40.905 1.795 1
1 735 . 13 1 1 A 57 57 ASP C C 60 177.900 177.144 0.756 1
1 736 . 13 1 1 A 58 58 GLY N N 61 114.600 114.032 0.568 1
1 737 . 13 1 1 A 58 58 GLY H H 61 9.700 9.515 0.185 1
1 738 . 13 1 1 A 58 58 GLY CA C 61 45.100 45.591 -0.491 1
1 739 . 13 1 1 A 58 58 GLY HA2 H 61 4.420 3.922 0.498 1
1 740 . 13 1 1 A 58 58 GLY HA3 H 61 3.770 3.935 -0.165 1
1 741 . 13 1 1 A 58 58 GLY C C 61 174.900 173.673 1.227 1
1 742 . 13 1 1 A 59 59 ASP N N 62 122.200 121.593 0.607 1
1 743 . 13 1 1 A 59 59 ASP H H 62 8.350 7.893 0.457 1
1 744 . 13 1 1 A 59 59 ASP CA C 62 55.900 53.611 2.289 1
1 745 . 13 1 1 A 59 59 ASP HA H 62 4.940 4.919 0.021 1
1 746 . 13 1 1 A 59 59 ASP CB C 62 42.500 42.337 0.163 1
1 749 . 13 1 1 A 59 59 ASP C C 62 176.000 175.735 0.265 1
1 750 . 13 1 1 A 60 60 ILE N N 63 119.100 124.827 -5.727 1
1 751 . 13 1 1 A 60 60 ILE H H 63 8.400 8.859 -0.459 1
1 752 . 13 1 1 A 60 60 ILE CA C 63 60.700 60.027 0.673 1
1 753 . 13 1 1 A 60 60 ILE HA H 63 4.690 4.777 -0.087 1
1 754 . 13 1 1 A 60 60 ILE CB C 63 39.700 38.898 0.802 1
1 767 . 13 1 1 A 60 60 ILE C C 63 175.400 175.115 0.285 1
1 768 . 13 1 1 A 61 61 ILE N N 64 130.300 128.865 1.435 1
1 769 . 13 1 1 A 61 61 ILE H H 64 9.550 9.628 -0.078 1
1 770 . 13 1 1 A 61 61 ILE CA C 64 58.300 60.491 -2.191 1
1 771 . 13 1 1 A 61 61 ILE HA H 64 5.230 4.837 0.393 1
1 772 . 13 1 1 A 61 61 ILE CB C 64 38.700 39.362 -0.662 1
1 785 . 13 1 1 A 61 61 ILE C C 64 174.400 174.115 0.285 1
1 786 . 13 1 1 A 62 62 GLU N N 65 126.800 128.978 -2.178 1
1 787 . 13 1 1 A 62 62 GLU H H 65 9.340 9.181 0.159 1
1 788 . 13 1 1 A 62 62 GLU CA C 65 54.500 55.054 -0.554 1
1 789 . 13 1 1 A 62 62 GLU HA H 65 5.080 5.026 0.054 1
1 790 . 13 1 1 A 62 62 GLU CB C 65 33.300 31.218 2.082 1
1 796 . 13 1 1 A 62 62 GLU C C 65 174.300 175.334 -1.034 1
1 797 . 13 1 1 A 63 63 VAL N N 66 124.300 126.786 -2.486 1
1 798 . 13 1 1 A 63 63 VAL H H 66 8.710 9.305 -0.595 1
1 799 . 13 1 1 A 63 63 VAL CA C 66 61.900 61.583 0.317 1
1 800 . 13 1 1 A 63 63 VAL HA H 66 4.420 4.974 -0.554 1
1 801 . 13 1 1 A 63 63 VAL CB C 66 32.600 32.913 -0.313 1
1 811 . 13 1 1 A 63 63 VAL C C 66 175.300 174.761 0.539 1
1 812 . 13 1 1 A 64 64 ILE N N 67 131.200 128.193 3.007 1
1 813 . 13 1 1 A 64 64 ILE H H 67 9.180 9.314 -0.134 1
1 814 . 13 1 1 A 64 64 ILE CA C 67 60.200 60.217 -0.017 1
1 815 . 13 1 1 A 64 64 ILE HA H 67 4.360 4.798 -0.438 1
1 816 . 13 1 1 A 64 64 ILE CB C 67 40.400 39.950 0.450 1
1 829 . 13 1 1 A 64 64 ILE C C 67 175.300 175.354 -0.054 1
1 830 . 13 1 1 A 65 65 ARG N N 68 126.900 127.993 -1.093 1
1 831 . 13 1 1 A 65 65 ARG H H 68 9.020 8.650 0.370 1
1 832 . 13 1 1 A 65 65 ARG CA C 68 57.200 56.145 1.055 1
1 833 . 13 1 1 A 65 65 ARG HA H 68 4.480 4.432 0.048 1
1 834 . 13 1 1 A 65 65 ARG CB C 68 30.500 30.542 -0.042 1
1 843 . 13 1 1 A 65 65 ARG C C 68 176.800 176.069 0.731 1
1 844 . 13 1 1 A 66 66 VAL N N 69 122.300 121.056 1.244 1
1 845 . 13 1 1 A 66 66 VAL H H 69 8.280 8.539 -0.259 1
1 846 . 13 1 1 A 66 66 VAL CA C 69 62.200 61.550 0.650 1
1 847 . 13 1 1 A 66 66 VAL HA H 69 4.100 4.493 -0.393 1
1 848 . 13 1 1 A 66 66 VAL CB C 69 32.800 32.670 0.130 1
1 858 . 13 1 1 A 66 66 VAL C C 69 175.500 174.730 0.770 1
1 859 . 13 1 1 A 67 67 ILE N N 70 124.000 128.461 -4.461 1
1 860 . 13 1 1 A 67 67 ILE H H 70 7.930 8.766 -0.836 1
1 861 . 13 1 1 A 67 67 ILE CA C 70 60.300 60.835 -0.535 1
1 862 . 13 1 1 A 67 67 ILE HA H 70 4.210 4.496 -0.286 1
1 863 . 13 1 1 A 67 67 ILE CB C 70 38.900 38.683 0.217 1
1 876 . 13 1 1 A 67 67 ILE C C 70 175.500 175.411 0.089 1
1 877 . 13 1 1 A 68 68 TYR N N 71 126.200 130.727 -4.527 1
1 878 . 13 1 1 A 68 68 TYR H H 71 8.450 8.873 -0.423 1
1 879 . 13 1 1 A 68 68 TYR CA C 71 57.900 59.459 -1.559 1
1 880 . 13 1 1 A 68 68 TYR HA H 71 4.590 4.536 0.054 1
1 881 . 13 1 1 A 68 68 TYR CB C 71 39.000 39.082 -0.082 1
1 886 . 13 1 1 A 68 68 TYR C C 71 176.200 175.241 0.959 1
1 887 . 13 1 1 A 69 69 GLY N N 72 112.000 113.271 -1.271 1
1 888 . 13 1 1 A 69 69 GLY H H 72 8.370 8.286 0.084 1
1 889 . 13 1 1 A 69 69 GLY CA C 72 45.300 46.669 -1.369 1
1 890 . 13 1 1 A 69 69 GLY HA2 H 72 3.910 3.688 0.222 1
1 891 . 13 1 1 A 69 69 GLY HA3 H 72 3.910 3.762 0.148 1
1 892 . 13 1 1 A 69 69 GLY C C 72 173.500 173.653 -0.153 1
1 10 . 14 1 1 A 2 2 VAL N N 5 122.400 126.425 -4.025 1
1 11 . 14 1 1 A 2 2 VAL H H 5 8.290 8.858 -0.568 1
1 12 . 14 1 1 A 2 2 VAL CA C 5 62.400 62.494 -0.094 1
1 13 . 14 1 1 A 2 2 VAL HA H 5 4.120 4.421 -0.301 1
1 14 . 14 1 1 A 2 2 VAL CB C 5 32.600 31.853 0.747 1
1 24 . 14 1 1 A 2 2 VAL C C 5 175.700 175.426 0.274 1
1 25 . 14 1 1 A 3 3 ILE N N 6 125.000 128.860 -3.860 1
1 26 . 14 1 1 A 3 3 ILE H H 6 8.240 8.819 -0.579 1
1 27 . 14 1 1 A 3 3 ILE CA C 6 60.900 59.819 1.081 1
1 28 . 14 1 1 A 3 3 ILE HA H 6 4.210 4.764 -0.554 1
1 29 . 14 1 1 A 3 3 ILE CB C 6 38.700 38.117 0.583 1
1 42 . 14 1 1 A 3 3 ILE C C 6 176.000 176.140 -0.140 1
1 43 . 14 1 1 A 4 4 GLY N N 7 112.900 112.676 0.224 1
1 44 . 14 1 1 A 4 4 GLY H H 7 8.330 8.505 -0.175 1
1 45 . 14 1 1 A 4 4 GLY CA C 7 45.300 44.298 1.002 1
1 46 . 14 1 1 A 4 4 GLY HA2 H 7 4.140 4.144 -0.004 1
1 47 . 14 1 1 A 4 4 GLY HA3 H 7 4.020 4.148 -0.128 1
1 48 . 14 1 1 A 4 4 GLY C C 7 172.800 171.647 1.153 1
1 49 . 14 1 1 A 5 5 MET N N 8 118.400 116.718 1.682 1
1 50 . 14 1 1 A 5 5 MET H H 8 8.540 8.687 -0.147 1
1 51 . 14 1 1 A 5 5 MET CA C 8 54.800 54.513 0.287 1
1 52 . 14 1 1 A 5 5 MET HA H 8 4.820 5.308 -0.488 1
1 53 . 14 1 1 A 5 5 MET CB C 8 35.500 35.542 -0.042 1
1 63 . 14 1 1 A 5 5 MET C C 8 174.100 173.643 0.457 1
1 64 . 14 1 1 A 6 6 LYS N N 9 122.000 123.533 -1.533 1
1 65 . 14 1 1 A 6 6 LYS H H 9 9.150 8.726 0.424 1
1 66 . 14 1 1 A 6 6 LYS CA C 9 55.100 54.819 0.281 1
1 67 . 14 1 1 A 6 6 LYS HA H 9 5.430 4.983 0.447 1
1 68 . 14 1 1 A 6 6 LYS CB C 9 36.100 34.825 1.275 1
1 80 . 14 1 1 A 6 6 LYS C C 9 174.500 175.576 -1.076 1
1 81 . 14 1 1 A 7 7 PHE N N 10 119.300 122.595 -3.295 1
1 82 . 14 1 1 A 7 7 PHE H H 10 8.670 8.615 0.055 1
1 83 . 14 1 1 A 7 7 PHE CA C 10 55.700 55.716 -0.016 1
1 84 . 14 1 1 A 7 7 PHE HA H 10 5.190 5.515 -0.325 1
1 85 . 14 1 1 A 7 7 PHE CB C 10 40.100 42.843 -2.743 1
1 92 . 14 1 1 A 7 7 PHE C C 10 172.400 172.513 -0.113 1
1 93 . 14 1 1 A 8 8 THR N N 11 116.500 114.868 1.632 1
1 94 . 14 1 1 A 8 8 THR H H 11 8.440 8.574 -0.134 1
1 95 . 14 1 1 A 8 8 THR CA C 11 62.200 60.011 2.189 1
1 96 . 14 1 1 A 8 8 THR HA H 11 5.070 5.258 -0.188 1
1 97 . 14 1 1 A 8 8 THR CB C 11 70.800 71.993 -1.193 1
1 103 . 14 1 1 A 8 8 THR C C 11 173.300 172.447 0.853 1
1 104 . 14 1 1 A 9 9 VAL N N 12 126.200 126.726 -0.526 1
1 105 . 14 1 1 A 9 9 VAL H H 12 9.400 9.516 -0.116 1
1 106 . 14 1 1 A 9 9 VAL CA C 12 60.700 60.970 -0.270 1
1 107 . 14 1 1 A 9 9 VAL HA H 12 5.090 5.142 -0.052 1
1 108 . 14 1 1 A 9 9 VAL CB C 12 34.100 33.562 0.538 1
1 118 . 14 1 1 A 9 9 VAL C C 12 174.500 173.828 0.672 1
1 119 . 14 1 1 A 10 10 ILE N N 13 129.600 129.400 0.200 1
1 120 . 14 1 1 A 10 10 ILE H H 13 9.560 9.367 0.193 1
1 121 . 14 1 1 A 10 10 ILE CA C 13 61.400 59.724 1.676 1
1 122 . 14 1 1 A 10 10 ILE HA H 13 4.640 4.977 -0.337 1
1 123 . 14 1 1 A 10 10 ILE CB C 13 39.700 40.242 -0.542 1
1 136 . 14 1 1 A 10 10 ILE C C 13 175.200 174.495 0.705 1
1 137 . 14 1 1 A 11 11 THR N N 14 116.800 123.605 -6.805 1
1 138 . 14 1 1 A 11 11 THR H H 14 8.430 8.821 -0.391 1
1 139 . 14 1 1 A 11 11 THR CA C 14 59.200 61.077 -1.877 1
1 140 . 14 1 1 A 11 11 THR HA H 14 5.160 4.777 0.383 1
1 141 . 14 1 1 A 11 11 THR CB C 14 71.900 73.183 -1.283 1
1 147 . 14 1 1 A 11 11 THR C C 14 175.800 174.779 1.021 1
1 148 . 14 1 1 A 12 12 ASP N N 15 120.000 122.723 -2.723 1
1 149 . 14 1 1 A 12 12 ASP H H 15 9.010 9.059 -0.049 1
1 150 . 14 1 1 A 12 12 ASP CA C 15 56.900 56.353 0.547 1
1 151 . 14 1 1 A 12 12 ASP HA H 15 4.440 4.443 -0.003 1
1 152 . 14 1 1 A 12 12 ASP CB C 15 40.900 40.091 0.809 1
1 155 . 14 1 1 A 12 12 ASP C C 15 176.600 177.801 -1.201 1
1 156 . 14 1 1 A 13 13 ASP N N 16 115.300 118.417 -3.117 1
1 157 . 14 1 1 A 13 13 ASP H H 16 8.090 7.959 0.131 1
1 158 . 14 1 1 A 13 13 ASP CA C 16 53.400 54.358 -0.958 1
1 159 . 14 1 1 A 13 13 ASP HA H 16 4.730 4.642 0.088 1
1 160 . 14 1 1 A 13 13 ASP CB C 16 41.800 41.244 0.556 1
1 163 . 14 1 1 A 13 13 ASP C C 16 175.700 176.368 -0.668 1
1 164 . 14 1 1 A 14 14 GLY N N 17 108.000 106.825 1.175 1
1 165 . 14 1 1 A 14 14 GLY H H 17 7.610 7.534 0.076 1
1 166 . 14 1 1 A 14 14 GLY CA C 17 44.900 43.899 1.001 1
1 167 . 14 1 1 A 14 14 GLY HA2 H 17 4.450 4.075 0.375 1
1 168 . 14 1 1 A 14 14 GLY HA3 H 17 3.860 4.076 -0.216 1
1 169 . 14 1 1 A 14 14 GLY C C 17 171.800 171.809 -0.009 1
1 170 . 14 1 1 A 15 15 LYS N N 18 120.600 120.861 -0.261 1
1 171 . 14 1 1 A 15 15 LYS H H 18 8.430 8.487 -0.057 1
1 172 . 14 1 1 A 15 15 LYS CA C 18 55.400 54.938 0.462 1
1 173 . 14 1 1 A 15 15 LYS HA H 18 5.080 5.130 -0.050 1
1 174 . 14 1 1 A 15 15 LYS CB C 18 34.600 34.463 0.137 1
1 186 . 14 1 1 A 15 15 LYS C C 18 175.600 175.145 0.455 1
1 187 . 14 1 1 A 16 16 LYS N N 19 125.700 126.655 -0.955 1
1 188 . 14 1 1 A 16 16 LYS H H 19 9.160 9.225 -0.065 1
1 189 . 14 1 1 A 16 16 LYS CA C 19 55.000 54.935 0.065 1
1 190 . 14 1 1 A 16 16 LYS HA H 19 4.620 4.846 -0.226 1
1 191 . 14 1 1 A 16 16 LYS CB C 19 36.100 34.314 1.786 1
1 201 . 14 1 1 A 16 16 LYS C C 19 174.000 174.551 -0.551 1
1 202 . 14 1 1 A 17 17 ILE N N 20 123.800 125.855 -2.055 1
1 203 . 14 1 1 A 17 17 ILE H H 20 8.420 8.804 -0.384 1
1 204 . 14 1 1 A 17 17 ILE CA C 20 60.400 59.826 0.574 1
1 205 . 14 1 1 A 17 17 ILE HA H 20 4.620 4.834 -0.214 1
1 206 . 14 1 1 A 17 17 ILE CB C 20 37.900 40.395 -2.495 1
1 219 . 14 1 1 A 17 17 ILE C C 20 175.700 173.947 1.753 1
1 220 . 14 1 1 A 18 18 LEU N N 21 130.500 129.413 1.087 1
1 221 . 14 1 1 A 18 18 LEU H H 21 8.600 8.835 -0.235 1
1 222 . 14 1 1 A 18 18 LEU CA C 21 53.500 53.265 0.235 1
1 223 . 14 1 1 A 18 18 LEU HA H 21 4.490 4.884 -0.394 1
1 224 . 14 1 1 A 18 18 LEU CB C 21 44.500 45.802 -1.302 1
1 236 . 14 1 1 A 18 18 LEU C C 21 174.000 175.178 -1.178 1
1 237 . 14 1 1 A 19 19 GLU N N 22 116.200 121.788 -5.588 1
1 238 . 14 1 1 A 19 19 GLU H H 22 7.940 8.861 -0.921 1
1 239 . 14 1 1 A 19 19 GLU CA C 22 53.800 54.543 -0.743 1
1 240 . 14 1 1 A 19 19 GLU HA H 22 5.280 5.182 0.098 1
1 241 . 14 1 1 A 19 19 GLU CB C 22 33.400 32.309 1.091 1
1 247 . 14 1 1 A 19 19 GLU C C 22 176.600 175.347 1.253 1
1 248 . 14 1 1 A 20 20 SER N N 23 114.700 121.812 -7.112 1
1 249 . 14 1 1 A 20 20 SER H H 23 8.630 9.137 -0.507 1
1 250 . 14 1 1 A 20 20 SER CA C 23 57.400 57.395 0.005 1
1 251 . 14 1 1 A 20 20 SER HA H 23 4.780 4.986 -0.206 1
1 252 . 14 1 1 A 20 20 SER CB C 23 65.900 65.744 0.156 1
1 255 . 14 1 1 A 20 20 SER C C 23 174.100 175.057 -0.957 1
1 256 . 14 1 1 A 21 21 GLY N N 24 109.400 112.992 -3.592 1
1 257 . 14 1 1 A 21 21 GLY H H 24 8.340 8.682 -0.342 1
1 258 . 14 1 1 A 21 21 GLY CA C 24 45.100 45.954 -0.854 1
1 259 . 14 1 1 A 21 21 GLY HA2 H 24 4.470 3.864 0.606 1
1 260 . 14 1 1 A 21 21 GLY HA3 H 24 3.790 3.870 -0.080 1
1 261 . 14 1 1 A 21 21 GLY C C 24 172.600 173.948 -1.348 1
1 262 . 14 1 1 A 22 22 ALA N N 25 122.500 121.839 0.661 1
1 263 . 14 1 1 A 22 22 ALA H H 25 7.790 7.750 0.040 1
1 264 . 14 1 1 A 22 22 ALA CA C 25 49.900 49.654 0.246 1
1 265 . 14 1 1 A 22 22 ALA HA H 25 4.780 4.865 -0.085 1
1 269 . 14 1 1 A 22 22 ALA CB C 25 20.600 21.723 -1.123 1
1 271 . 14 1 1 A 23 23 PRO CA C 26 63.700 62.720 0.980 1
1 272 . 14 1 1 A 23 23 PRO HA H 26 4.400 4.903 -0.503 1
1 273 . 14 1 1 A 23 23 PRO CB C 26 31.900 31.815 0.085 1
1 281 . 14 1 1 A 23 23 PRO C C 26 176.500 176.035 0.465 1
1 282 . 14 1 1 A 24 24 ARG N N 27 120.200 123.080 -2.880 1
1 283 . 14 1 1 A 24 24 ARG H H 27 7.810 8.417 -0.607 1
1 284 . 14 1 1 A 24 24 ARG CA C 27 53.800 54.250 -0.450 1
1 285 . 14 1 1 A 24 24 ARG HA H 27 4.680 4.708 -0.028 1
1 286 . 14 1 1 A 24 24 ARG CB C 27 35.600 34.260 1.340 1
1 295 . 14 1 1 A 24 24 ARG C C 27 174.300 174.815 -0.515 1
1 296 . 14 1 1 A 25 25 ARG N N 28 119.300 119.617 -0.317 1
1 297 . 14 1 1 A 25 25 ARG H H 28 8.900 8.584 0.316 1
1 298 . 14 1 1 A 25 25 ARG CA C 28 54.200 54.777 -0.577 1
1 299 . 14 1 1 A 25 25 ARG HA H 28 4.870 4.417 0.453 1
1 300 . 14 1 1 A 25 25 ARG CB C 28 32.200 31.739 0.461 1
1 309 . 14 1 1 A 25 25 ARG C C 28 178.300 177.927 0.373 1
1 310 . 14 1 1 A 26 26 ILE N N 29 123.500 123.040 0.460 1
1 311 . 14 1 1 A 26 26 ILE H H 29 8.630 9.024 -0.394 1
1 312 . 14 1 1 A 26 26 ILE CA C 29 65.200 64.897 0.303 1
1 313 . 14 1 1 A 26 26 ILE HA H 29 3.410 3.623 -0.213 1
1 314 . 14 1 1 A 26 26 ILE CB C 29 36.500 37.333 -0.833 1
1 327 . 14 1 1 A 26 26 ILE C C 29 178.600 178.054 0.546 1
1 328 . 14 1 1 A 27 27 LYS N N 30 115.100 120.878 -5.778 1
1 329 . 14 1 1 A 27 27 LYS H H 30 8.900 8.037 0.863 1
1 330 . 14 1 1 A 27 27 LYS CA C 30 59.300 59.409 -0.109 1
1 331 . 14 1 1 A 27 27 LYS HA H 30 3.900 3.869 0.031 1
1 332 . 14 1 1 A 27 27 LYS CB C 30 31.700 31.949 -0.249 1
1 344 . 14 1 1 A 27 27 LYS C C 30 178.000 178.420 -0.420 1
1 345 . 14 1 1 A 28 28 ASP N N 31 119.700 119.584 0.116 1
1 346 . 14 1 1 A 28 28 ASP H H 31 7.180 8.026 -0.846 1
1 347 . 14 1 1 A 28 28 ASP CA C 31 56.900 56.959 -0.059 1
1 348 . 14 1 1 A 28 28 ASP HA H 31 4.480 4.374 0.106 1
1 349 . 14 1 1 A 28 28 ASP CB C 31 41.300 40.485 0.815 1
1 352 . 14 1 1 A 28 28 ASP C C 31 178.600 178.753 -0.153 1
1 353 . 14 1 1 A 29 29 VAL N N 32 122.100 119.561 2.539 1
1 354 . 14 1 1 A 29 29 VAL H H 32 7.410 8.215 -0.805 1
1 355 . 14 1 1 A 29 29 VAL CA C 32 65.900 66.642 -0.742 1
1 356 . 14 1 1 A 29 29 VAL HA H 32 3.730 3.602 0.128 1
1 357 . 14 1 1 A 29 29 VAL CB C 32 32.000 31.620 0.380 1
1 367 . 14 1 1 A 29 29 VAL C C 32 177.600 177.998 -0.398 1
1 368 . 14 1 1 A 30 30 LEU N N 33 118.000 117.947 0.053 1
1 369 . 14 1 1 A 30 30 LEU H H 33 8.380 8.294 0.086 1
1 370 . 14 1 1 A 30 30 LEU CA C 33 58.500 57.976 0.524 1
1 371 . 14 1 1 A 30 30 LEU HA H 33 3.910 4.017 -0.107 1
1 372 . 14 1 1 A 30 30 LEU CB C 33 39.200 41.694 -2.494 1
1 385 . 14 1 1 A 30 30 LEU C C 33 179.200 179.204 -0.004 1
1 386 . 14 1 1 A 31 31 GLY N N 34 104.500 106.627 -2.127 1
1 387 . 14 1 1 A 31 31 GLY H H 34 7.730 7.933 -0.203 1
1 388 . 14 1 1 A 31 31 GLY CA C 34 47.100 47.124 -0.024 1
1 389 . 14 1 1 A 31 31 GLY HA2 H 34 3.940 3.790 0.150 1
1 390 . 14 1 1 A 31 31 GLY HA3 H 34 3.940 3.795 0.145 1
1 391 . 14 1 1 A 31 31 GLY C C 34 177.500 176.021 1.479 1
1 392 . 14 1 1 A 32 32 GLU N N 35 124.300 121.472 2.828 1
1 393 . 14 1 1 A 32 32 GLU H H 35 7.750 8.018 -0.268 1
1 394 . 14 1 1 A 32 32 GLU CA C 35 59.100 59.000 0.100 1
1 395 . 14 1 1 A 32 32 GLU HA H 35 4.130 4.098 0.032 1
1 396 . 14 1 1 A 32 32 GLU CB C 35 29.800 29.353 0.447 1
1 402 . 14 1 1 A 32 32 GLU C C 35 178.300 178.029 0.271 1
1 403 . 14 1 1 A 33 33 LEU N N 36 117.300 118.411 -1.111 1
1 404 . 14 1 1 A 33 33 LEU H H 36 7.750 7.574 0.176 1
1 405 . 14 1 1 A 33 33 LEU CA C 36 55.000 55.261 -0.261 1
1 406 . 14 1 1 A 33 33 LEU HA H 36 4.270 4.294 -0.024 1
1 407 . 14 1 1 A 33 33 LEU CB C 36 42.100 41.875 0.225 1
1 420 . 14 1 1 A 33 33 LEU C C 36 175.200 176.557 -1.357 1
1 421 . 14 1 1 A 34 34 GLU N N 37 115.500 118.698 -3.198 1
1 422 . 14 1 1 A 34 34 GLU H H 37 7.780 8.101 -0.321 1
1 423 . 14 1 1 A 34 34 GLU CA C 37 57.200 57.927 -0.727 1
1 424 . 14 1 1 A 34 34 GLU HA H 37 3.830 3.912 -0.082 1
1 425 . 14 1 1 A 34 34 GLU CB C 37 26.700 29.234 -2.534 1
1 431 . 14 1 1 A 34 34 GLU C C 37 175.300 175.185 0.115 1
1 432 . 14 1 1 A 35 35 ILE N N 38 121.300 120.844 0.456 1
1 433 . 14 1 1 A 35 35 ILE H H 38 8.010 7.935 0.075 1
1 434 . 14 1 1 A 35 35 ILE CA C 38 58.300 58.824 -0.524 1
1 435 . 14 1 1 A 35 35 ILE HA H 38 4.410 4.208 0.202 1
1 436 . 14 1 1 A 35 35 ILE CB C 38 40.300 38.355 1.945 1
1 450 . 14 1 1 A 36 36 PRO CA C 39 62.400 62.410 -0.010 1
1 451 . 14 1 1 A 36 36 PRO HA H 39 4.470 4.600 -0.130 1
1 452 . 14 1 1 A 36 36 PRO CB C 39 31.600 30.153 1.447 1
1 460 . 14 1 1 A 36 36 PRO C C 39 179.200 177.376 1.824 1
1 461 . 14 1 1 A 37 37 ILE N N 40 127.500 125.973 1.527 1
1 462 . 14 1 1 A 37 37 ILE H H 40 8.350 8.537 -0.187 1
1 463 . 14 1 1 A 37 37 ILE CA C 40 63.700 63.082 0.618 1
1 464 . 14 1 1 A 37 37 ILE HA H 40 3.750 4.093 -0.343 1
1 465 . 14 1 1 A 37 37 ILE CB C 40 38.600 37.837 0.763 1
1 478 . 14 1 1 A 37 37 ILE C C 40 176.100 177.213 -1.113 1
1 479 . 14 1 1 A 38 38 GLU N N 41 118.500 121.318 -2.818 1
1 480 . 14 1 1 A 38 38 GLU H H 41 9.370 7.894 1.476 1
1 481 . 14 1 1 A 38 38 GLU CA C 41 58.400 59.052 -0.652 1
1 482 . 14 1 1 A 38 38 GLU HA H 41 4.330 4.109 0.221 1
1 483 . 14 1 1 A 38 38 GLU CB C 41 28.500 29.577 -1.077 1
1 489 . 14 1 1 A 38 38 GLU C C 41 177.600 177.710 -0.110 1
1 490 . 14 1 1 A 39 39 THR N N 42 107.400 112.740 -5.340 1
1 491 . 14 1 1 A 39 39 THR H H 42 7.810 7.536 0.274 1
1 492 . 14 1 1 A 39 39 THR CA C 42 61.600 61.262 0.338 1
1 493 . 14 1 1 A 39 39 THR HA H 42 4.520 4.546 -0.026 1
1 494 . 14 1 1 A 39 39 THR CB C 42 70.300 69.724 0.576 1
1 500 . 14 1 1 A 39 39 THR C C 42 174.000 173.788 0.212 1
1 501 . 14 1 1 A 40 40 VAL N N 43 112.000 119.289 -7.289 1
1 502 . 14 1 1 A 40 40 VAL H H 43 7.230 6.982 0.248 1
1 503 . 14 1 1 A 40 40 VAL CA C 43 59.100 58.786 0.314 1
1 504 . 14 1 1 A 40 40 VAL HA H 43 5.420 4.890 0.530 1
1 505 . 14 1 1 A 40 40 VAL CB C 43 36.400 35.069 1.331 1
1 515 . 14 1 1 A 40 40 VAL C C 43 175.200 174.096 1.104 1
1 516 . 14 1 1 A 41 41 VAL N N 44 120.400 124.230 -3.830 1
1 517 . 14 1 1 A 41 41 VAL H H 44 9.080 9.177 -0.097 1
1 518 . 14 1 1 A 41 41 VAL CA C 44 61.500 62.173 -0.673 1
1 519 . 14 1 1 A 41 41 VAL HA H 44 4.230 4.487 -0.257 1
1 520 . 14 1 1 A 41 41 VAL CB C 44 34.600 32.081 2.519 1
1 530 . 14 1 1 A 41 41 VAL C C 44 174.000 175.627 -1.627 1
1 531 . 14 1 1 A 42 42 VAL N N 45 123.400 129.262 -5.862 1
1 532 . 14 1 1 A 42 42 VAL H H 45 8.820 9.118 -0.298 1
1 533 . 14 1 1 A 42 42 VAL CA C 45 60.000 61.202 -1.202 1
1 534 . 14 1 1 A 42 42 VAL HA H 45 5.120 4.800 0.320 1
1 535 . 14 1 1 A 42 42 VAL CB C 45 34.300 32.894 1.406 1
1 545 . 14 1 1 A 42 42 VAL C C 45 174.700 175.080 -0.380 1
1 546 . 14 1 1 A 43 43 LYS N N 46 121.700 126.495 -4.795 1
1 547 . 14 1 1 A 43 43 LYS H H 46 8.920 9.148 -0.228 1
1 548 . 14 1 1 A 43 43 LYS CA C 46 53.800 54.142 -0.342 1
1 549 . 14 1 1 A 43 43 LYS HA H 46 5.180 5.403 -0.223 1
1 550 . 14 1 1 A 43 43 LYS CB C 46 36.900 35.769 1.131 1
1 562 . 14 1 1 A 43 43 LYS C C 46 175.600 175.260 0.340 1
1 563 . 14 1 1 A 44 44 LYS N N 47 122.300 122.749 -0.449 1
1 564 . 14 1 1 A 44 44 LYS H H 47 9.240 9.209 0.031 1
1 565 . 14 1 1 A 44 44 LYS CA C 47 54.400 54.843 -0.443 1
1 566 . 14 1 1 A 44 44 LYS HA H 47 5.190 4.925 0.265 1
1 567 . 14 1 1 A 44 44 LYS CB C 47 36.100 32.992 3.108 1
1 578 . 14 1 1 A 44 44 LYS C C 47 176.000 176.351 -0.351 1
1 579 . 14 1 1 A 45 45 ASN N N 48 129.600 124.932 4.668 1
1 580 . 14 1 1 A 45 45 ASN H H 48 9.980 10.034 -0.054 1
1 581 . 14 1 1 A 45 45 ASN CA C 48 54.300 54.415 -0.115 1
1 582 . 14 1 1 A 45 45 ASN HA H 48 4.490 4.489 0.001 1
1 583 . 14 1 1 A 45 45 ASN CB C 48 37.200 36.872 0.328 1
1 589 . 14 1 1 A 45 45 ASN C C 48 175.800 175.348 0.452 1
1 590 . 14 1 1 A 46 46 GLY N N 49 103.200 105.276 -2.076 1
1 591 . 14 1 1 A 46 46 GLY H H 49 9.340 8.335 1.005 1
1 592 . 14 1 1 A 46 46 GLY CA C 49 45.200 45.118 0.082 1
1 593 . 14 1 1 A 46 46 GLY HA2 H 49 4.300 4.075 0.225 1
1 594 . 14 1 1 A 46 46 GLY HA3 H 49 3.650 4.075 -0.425 1
1 595 . 14 1 1 A 46 46 GLY C C 49 173.600 174.340 -0.740 1
1 596 . 14 1 1 A 47 47 GLN N N 50 119.700 119.824 -0.124 1
1 597 . 14 1 1 A 47 47 GLN H H 50 7.690 7.852 -0.162 1
1 598 . 14 1 1 A 47 47 GLN CA C 50 53.500 55.637 -2.137 1
1 599 . 14 1 1 A 47 47 GLN HA H 50 4.770 4.407 0.363 1
1 600 . 14 1 1 A 47 47 GLN CB C 50 31.300 29.672 1.628 1
1 606 . 14 1 1 A 47 47 GLN C C 50 175.000 175.794 -0.794 1
1 607 . 14 1 1 A 48 48 ILE N N 51 125.800 124.195 1.605 1
1 608 . 14 1 1 A 48 48 ILE H H 51 8.790 8.459 0.331 1
1 609 . 14 1 1 A 48 48 ILE CA C 51 63.000 61.689 1.311 1
1 610 . 14 1 1 A 48 48 ILE HA H 51 4.380 4.376 0.004 1
1 611 . 14 1 1 A 48 48 ILE CB C 51 37.400 37.231 0.169 1
1 624 . 14 1 1 A 48 48 ILE C C 51 176.500 176.065 0.435 1
1 625 . 14 1 1 A 49 49 VAL N N 52 121.900 121.410 0.490 1
1 626 . 14 1 1 A 49 49 VAL H H 52 8.290 9.225 -0.935 1
1 627 . 14 1 1 A 49 49 VAL CA C 52 58.900 59.888 -0.988 1
1 628 . 14 1 1 A 49 49 VAL HA H 52 4.860 5.086 -0.226 1
1 629 . 14 1 1 A 49 49 VAL CB C 52 35.700 35.906 -0.206 1
1 639 . 14 1 1 A 50 50 ILE N N 53 114.600 116.248 -1.648 1
1 640 . 14 1 1 A 50 50 ILE H H 53 8.020 8.141 -0.121 1
1 641 . 14 1 1 A 50 50 ILE CA C 53 60.500 58.489 2.011 1
1 642 . 14 1 1 A 50 50 ILE HA H 53 4.610 4.609 0.001 1
1 643 . 14 1 1 A 50 50 ILE CB C 53 39.500 40.989 -1.489 1
1 656 . 14 1 1 A 50 50 ILE C C 53 177.000 176.771 0.229 1
1 657 . 14 1 1 A 51 51 ASP N N 54 118.300 121.038 -2.738 1
1 658 . 14 1 1 A 51 51 ASP H H 54 8.390 8.979 -0.589 1
1 659 . 14 1 1 A 51 51 ASP CA C 54 56.300 56.546 -0.246 1
1 660 . 14 1 1 A 51 51 ASP HA H 54 4.010 4.458 -0.448 1
1 661 . 14 1 1 A 51 51 ASP CB C 54 40.200 39.926 0.274 1
1 664 . 14 1 1 A 51 51 ASP C C 54 176.300 178.184 -1.884 1
1 665 . 14 1 1 A 52 52 GLU N N 55 116.900 119.583 -2.683 1
1 666 . 14 1 1 A 52 52 GLU H H 55 7.100 8.101 -1.001 1
1 667 . 14 1 1 A 52 52 GLU CA C 55 56.000 58.648 -2.648 1
1 668 . 14 1 1 A 52 52 GLU HA H 55 4.200 4.057 0.143 1
1 669 . 14 1 1 A 52 52 GLU CB C 55 30.000 29.502 0.498 1
1 675 . 14 1 1 A 52 52 GLU C C 55 175.700 177.238 -1.538 1
1 676 . 14 1 1 A 53 53 GLU N N 56 120.300 119.508 0.792 1
1 677 . 14 1 1 A 53 53 GLU H H 56 7.570 7.789 -0.219 1
1 678 . 14 1 1 A 53 53 GLU CA C 56 57.400 56.782 0.618 1
1 679 . 14 1 1 A 53 53 GLU HA H 56 4.090 4.394 -0.304 1
1 680 . 14 1 1 A 53 53 GLU CB C 56 30.300 30.078 0.222 1
1 686 . 14 1 1 A 53 53 GLU C C 56 175.400 175.793 -0.393 1
1 687 . 14 1 1 A 54 54 GLU N N 57 123.400 121.811 1.589 1
1 688 . 14 1 1 A 54 54 GLU H H 57 8.430 8.580 -0.150 1
1 689 . 14 1 1 A 54 54 GLU CA C 57 56.500 55.431 1.069 1
1 690 . 14 1 1 A 54 54 GLU HA H 57 4.320 4.340 -0.020 1
1 691 . 14 1 1 A 54 54 GLU CB C 57 32.200 30.931 1.269 1
1 697 . 14 1 1 A 54 54 GLU C C 57 174.300 176.132 -1.832 1
1 698 . 14 1 1 A 55 55 ILE N N 58 122.000 121.911 0.089 1
1 699 . 14 1 1 A 55 55 ILE H H 58 7.850 8.714 -0.864 1
1 700 . 14 1 1 A 55 55 ILE CA C 58 60.400 59.696 0.704 1
1 701 . 14 1 1 A 55 55 ILE HA H 58 3.770 4.431 -0.661 1
1 702 . 14 1 1 A 55 55 ILE CB C 58 40.100 38.347 1.753 1
1 715 . 14 1 1 A 55 55 ILE C C 58 172.900 174.795 -1.895 1
1 716 . 14 1 1 A 56 56 PHE N N 59 124.500 124.132 0.368 1
1 717 . 14 1 1 A 56 56 PHE H H 59 8.970 8.790 0.180 1
1 718 . 14 1 1 A 56 56 PHE CA C 59 55.900 56.230 -0.330 1
1 719 . 14 1 1 A 56 56 PHE HA H 59 4.820 5.026 -0.206 1
1 720 . 14 1 1 A 56 56 PHE CB C 59 41.900 43.963 -2.063 1
1 727 . 14 1 1 A 56 56 PHE C C 59 175.100 174.281 0.819 1
1 728 . 14 1 1 A 57 57 ASP N N 60 117.300 123.241 -5.941 1
1 729 . 14 1 1 A 57 57 ASP H H 60 8.320 8.827 -0.507 1
1 730 . 14 1 1 A 57 57 ASP CA C 60 56.400 55.989 0.411 1
1 731 . 14 1 1 A 57 57 ASP HA H 60 4.630 4.441 0.189 1
1 732 . 14 1 1 A 57 57 ASP CB C 60 42.700 40.329 2.371 1
1 735 . 14 1 1 A 57 57 ASP C C 60 177.900 177.231 0.669 1
1 736 . 14 1 1 A 58 58 GLY N N 61 114.600 114.001 0.599 1
1 737 . 14 1 1 A 58 58 GLY H H 61 9.700 9.451 0.249 1
1 738 . 14 1 1 A 58 58 GLY CA C 61 45.100 45.638 -0.538 1
1 739 . 14 1 1 A 58 58 GLY HA2 H 61 4.420 3.954 0.466 1
1 740 . 14 1 1 A 58 58 GLY HA3 H 61 3.770 3.961 -0.191 1
1 741 . 14 1 1 A 58 58 GLY C C 61 174.900 173.547 1.353 1
1 742 . 14 1 1 A 59 59 ASP N N 62 122.200 121.076 1.124 1
1 743 . 14 1 1 A 59 59 ASP H H 62 8.350 7.728 0.622 1
1 744 . 14 1 1 A 59 59 ASP CA C 62 55.900 53.270 2.630 1
1 745 . 14 1 1 A 59 59 ASP HA H 62 4.940 5.046 -0.106 1
1 746 . 14 1 1 A 59 59 ASP CB C 62 42.500 42.190 0.310 1
1 749 . 14 1 1 A 59 59 ASP C C 62 176.000 175.559 0.441 1
1 750 . 14 1 1 A 60 60 ILE N N 63 119.100 126.615 -7.515 1
1 751 . 14 1 1 A 60 60 ILE H H 63 8.400 8.840 -0.440 1
1 752 . 14 1 1 A 60 60 ILE CA C 63 60.700 60.211 0.489 1
1 753 . 14 1 1 A 60 60 ILE HA H 63 4.690 4.728 -0.038 1
1 754 . 14 1 1 A 60 60 ILE CB C 63 39.700 39.418 0.282 1
1 767 . 14 1 1 A 60 60 ILE C C 63 175.400 174.657 0.743 1
1 768 . 14 1 1 A 61 61 ILE N N 64 130.300 129.234 1.066 1
1 769 . 14 1 1 A 61 61 ILE H H 64 9.550 9.572 -0.022 1
1 770 . 14 1 1 A 61 61 ILE CA C 64 58.300 60.587 -2.287 1
1 771 . 14 1 1 A 61 61 ILE HA H 64 5.230 5.225 0.005 1
1 772 . 14 1 1 A 61 61 ILE CB C 64 38.700 38.922 -0.222 1
1 785 . 14 1 1 A 61 61 ILE C C 64 174.400 174.662 -0.262 1
1 786 . 14 1 1 A 62 62 GLU N N 65 126.800 128.329 -1.529 1
1 787 . 14 1 1 A 62 62 GLU H H 65 9.340 9.008 0.332 1
1 788 . 14 1 1 A 62 62 GLU CA C 65 54.500 55.053 -0.553 1
1 789 . 14 1 1 A 62 62 GLU HA H 65 5.080 5.072 0.008 1
1 790 . 14 1 1 A 62 62 GLU CB C 65 33.300 31.947 1.353 1
1 796 . 14 1 1 A 62 62 GLU C C 65 174.300 175.240 -0.940 1
1 797 . 14 1 1 A 63 63 VAL N N 66 124.300 126.707 -2.407 1
1 798 . 14 1 1 A 63 63 VAL H H 66 8.710 9.160 -0.450 1
1 799 . 14 1 1 A 63 63 VAL CA C 66 61.900 61.716 0.184 1
1 800 . 14 1 1 A 63 63 VAL HA H 66 4.420 4.780 -0.360 1
1 801 . 14 1 1 A 63 63 VAL CB C 66 32.600 32.562 0.038 1
1 811 . 14 1 1 A 63 63 VAL C C 66 175.300 174.941 0.359 1
1 812 . 14 1 1 A 64 64 ILE N N 67 131.200 128.840 2.360 1
1 813 . 14 1 1 A 64 64 ILE H H 67 9.180 9.658 -0.478 1
1 814 . 14 1 1 A 64 64 ILE CA C 67 60.200 60.039 0.161 1
1 815 . 14 1 1 A 64 64 ILE HA H 67 4.360 4.698 -0.338 1
1 816 . 14 1 1 A 64 64 ILE CB C 67 40.400 38.236 2.164 1
1 829 . 14 1 1 A 64 64 ILE C C 67 175.300 175.472 -0.172 1
1 830 . 14 1 1 A 65 65 ARG N N 68 126.900 127.699 -0.799 1
1 831 . 14 1 1 A 65 65 ARG H H 68 9.020 8.557 0.463 1
1 832 . 14 1 1 A 65 65 ARG CA C 68 57.200 56.511 0.689 1
1 833 . 14 1 1 A 65 65 ARG HA H 68 4.480 4.325 0.155 1
1 834 . 14 1 1 A 65 65 ARG CB C 68 30.500 30.779 -0.279 1
1 843 . 14 1 1 A 65 65 ARG C C 68 176.800 176.432 0.368 1
1 844 . 14 1 1 A 66 66 VAL N N 69 122.300 119.621 2.679 1
1 845 . 14 1 1 A 66 66 VAL H H 69 8.280 7.888 0.392 1
1 846 . 14 1 1 A 66 66 VAL CA C 69 62.200 61.517 0.683 1
1 847 . 14 1 1 A 66 66 VAL HA H 69 4.100 4.239 -0.139 1
1 848 . 14 1 1 A 66 66 VAL CB C 69 32.800 32.868 -0.068 1
1 858 . 14 1 1 A 66 66 VAL C C 69 175.500 174.839 0.661 1
1 859 . 14 1 1 A 67 67 ILE N N 70 124.000 127.034 -3.034 1
1 860 . 14 1 1 A 67 67 ILE H H 70 7.930 8.099 -0.169 1
1 861 . 14 1 1 A 67 67 ILE CA C 70 60.300 61.075 -0.775 1
1 862 . 14 1 1 A 67 67 ILE HA H 70 4.210 4.250 -0.040 1
1 863 . 14 1 1 A 67 67 ILE CB C 70 38.900 38.719 0.181 1
1 876 . 14 1 1 A 67 67 ILE C C 70 175.500 174.223 1.277 1
1 877 . 14 1 1 A 68 68 TYR N N 71 126.200 129.990 -3.790 1
1 878 . 14 1 1 A 68 68 TYR H H 71 8.450 8.839 -0.389 1
1 879 . 14 1 1 A 68 68 TYR CA C 71 57.900 57.099 0.801 1
1 880 . 14 1 1 A 68 68 TYR HA H 71 4.590 4.984 -0.394 1
1 881 . 14 1 1 A 68 68 TYR CB C 71 39.000 37.452 1.548 1
1 886 . 14 1 1 A 68 68 TYR C C 71 176.200 175.828 0.372 1
1 887 . 14 1 1 A 69 69 GLY N N 72 112.000 111.195 0.805 1
1 888 . 14 1 1 A 69 69 GLY H H 72 8.370 8.175 0.195 1
1 889 . 14 1 1 A 69 69 GLY CA C 72 45.300 45.397 -0.097 1
1 890 . 14 1 1 A 69 69 GLY HA2 H 72 3.910 4.411 -0.501 1
1 891 . 14 1 1 A 69 69 GLY HA3 H 72 3.910 4.430 -0.520 1
1 892 . 14 1 1 A 69 69 GLY C C 72 173.500 172.384 1.116 1
1 10 . 15 1 1 A 2 2 VAL N N 5 122.400 126.966 -4.566 1
1 11 . 15 1 1 A 2 2 VAL H H 5 8.290 8.816 -0.526 1
1 12 . 15 1 1 A 2 2 VAL CA C 5 62.400 60.815 1.585 1
1 13 . 15 1 1 A 2 2 VAL HA H 5 4.120 4.635 -0.515 1
1 14 . 15 1 1 A 2 2 VAL CB C 5 32.600 32.880 -0.280 1
1 24 . 15 1 1 A 2 2 VAL C C 5 175.700 175.073 0.627 1
1 25 . 15 1 1 A 3 3 ILE N N 6 125.000 125.735 -0.735 1
1 26 . 15 1 1 A 3 3 ILE H H 6 8.240 8.519 -0.279 1
1 27 . 15 1 1 A 3 3 ILE CA C 6 60.900 59.364 1.536 1
1 28 . 15 1 1 A 3 3 ILE HA H 6 4.210 4.863 -0.653 1
1 29 . 15 1 1 A 3 3 ILE CB C 6 38.700 39.745 -1.045 1
1 42 . 15 1 1 A 3 3 ILE C C 6 176.000 175.418 0.582 1
1 43 . 15 1 1 A 4 4 GLY N N 7 112.900 110.700 2.200 1
1 44 . 15 1 1 A 4 4 GLY H H 7 8.330 8.367 -0.037 1
1 45 . 15 1 1 A 4 4 GLY CA C 7 45.300 44.051 1.249 1
1 46 . 15 1 1 A 4 4 GLY HA2 H 7 4.140 4.134 0.006 1
1 47 . 15 1 1 A 4 4 GLY HA3 H 7 4.020 4.139 -0.119 1
1 48 . 15 1 1 A 4 4 GLY C C 7 172.800 172.136 0.664 1
1 49 . 15 1 1 A 5 5 MET N N 8 118.400 116.399 2.001 1
1 50 . 15 1 1 A 5 5 MET H H 8 8.540 8.080 0.460 1
1 51 . 15 1 1 A 5 5 MET CA C 8 54.800 54.683 0.117 1
1 52 . 15 1 1 A 5 5 MET HA H 8 4.820 5.243 -0.423 1
1 53 . 15 1 1 A 5 5 MET CB C 8 35.500 35.254 0.246 1
1 63 . 15 1 1 A 5 5 MET C C 8 174.100 173.936 0.164 1
1 64 . 15 1 1 A 6 6 LYS N N 9 122.000 120.073 1.927 1
1 65 . 15 1 1 A 6 6 LYS H H 9 9.150 8.872 0.278 1
1 66 . 15 1 1 A 6 6 LYS CA C 9 55.100 55.112 -0.012 1
1 67 . 15 1 1 A 6 6 LYS HA H 9 5.430 4.961 0.469 1
1 68 . 15 1 1 A 6 6 LYS CB C 9 36.100 34.225 1.875 1
1 80 . 15 1 1 A 6 6 LYS C C 9 174.500 175.889 -1.389 1
1 81 . 15 1 1 A 7 7 PHE N N 10 119.300 119.480 -0.180 1
1 82 . 15 1 1 A 7 7 PHE H H 10 8.670 8.974 -0.304 1
1 83 . 15 1 1 A 7 7 PHE CA C 10 55.700 55.684 0.016 1
1 84 . 15 1 1 A 7 7 PHE HA H 10 5.190 5.518 -0.328 1
1 85 . 15 1 1 A 7 7 PHE CB C 10 40.100 42.733 -2.633 1
1 92 . 15 1 1 A 7 7 PHE C C 10 172.400 172.613 -0.213 1
1 93 . 15 1 1 A 8 8 THR N N 11 116.500 116.204 0.296 1
1 94 . 15 1 1 A 8 8 THR H H 11 8.440 8.623 -0.183 1
1 95 . 15 1 1 A 8 8 THR CA C 11 62.200 61.552 0.648 1
1 96 . 15 1 1 A 8 8 THR HA H 11 5.070 5.042 0.028 1
1 97 . 15 1 1 A 8 8 THR CB C 11 70.800 69.837 0.963 1
1 103 . 15 1 1 A 8 8 THR C C 11 173.300 173.578 -0.278 1
1 104 . 15 1 1 A 9 9 VAL N N 12 126.200 127.267 -1.067 1
1 105 . 15 1 1 A 9 9 VAL H H 12 9.400 9.460 -0.060 1
1 106 . 15 1 1 A 9 9 VAL CA C 12 60.700 60.927 -0.227 1
1 107 . 15 1 1 A 9 9 VAL HA H 12 5.090 5.393 -0.303 1
1 108 . 15 1 1 A 9 9 VAL CB C 12 34.100 34.278 -0.178 1
1 118 . 15 1 1 A 9 9 VAL C C 12 174.500 174.399 0.101 1
1 119 . 15 1 1 A 10 10 ILE N N 13 129.600 129.670 -0.070 1
1 120 . 15 1 1 A 10 10 ILE H H 13 9.560 8.597 0.963 1
1 121 . 15 1 1 A 10 10 ILE CA C 13 61.400 60.532 0.868 1
1 122 . 15 1 1 A 10 10 ILE HA H 13 4.640 4.675 -0.035 1
1 123 . 15 1 1 A 10 10 ILE CB C 13 39.700 39.770 -0.070 1
1 136 . 15 1 1 A 10 10 ILE C C 13 175.200 175.502 -0.302 1
1 137 . 15 1 1 A 11 11 THR N N 14 116.800 119.060 -2.260 1
1 138 . 15 1 1 A 11 11 THR H H 14 8.430 8.789 -0.359 1
1 139 . 15 1 1 A 11 11 THR CA C 14 59.200 59.799 -0.599 1
1 140 . 15 1 1 A 11 11 THR HA H 14 5.160 4.885 0.275 1
1 141 . 15 1 1 A 11 11 THR CB C 14 71.900 72.251 -0.351 1
1 147 . 15 1 1 A 11 11 THR C C 14 175.800 174.993 0.807 1
1 148 . 15 1 1 A 12 12 ASP N N 15 120.000 121.520 -1.520 1
1 149 . 15 1 1 A 12 12 ASP H H 15 9.010 8.931 0.079 1
1 150 . 15 1 1 A 12 12 ASP CA C 15 56.900 57.206 -0.306 1
1 151 . 15 1 1 A 12 12 ASP HA H 15 4.440 4.339 0.101 1
1 152 . 15 1 1 A 12 12 ASP CB C 15 40.900 40.392 0.508 1
1 155 . 15 1 1 A 12 12 ASP C C 15 176.600 176.812 -0.212 1
1 156 . 15 1 1 A 13 13 ASP N N 16 115.300 115.171 0.129 1
1 157 . 15 1 1 A 13 13 ASP H H 16 8.090 8.246 -0.156 1
1 158 . 15 1 1 A 13 13 ASP CA C 16 53.400 53.350 0.050 1
1 159 . 15 1 1 A 13 13 ASP HA H 16 4.730 4.562 0.168 1
1 160 . 15 1 1 A 13 13 ASP CB C 16 41.800 40.735 1.065 1
1 163 . 15 1 1 A 13 13 ASP C C 16 175.700 175.644 0.056 1
1 164 . 15 1 1 A 14 14 GLY N N 17 108.000 106.695 1.305 1
1 165 . 15 1 1 A 14 14 GLY H H 17 7.610 7.023 0.587 1
1 166 . 15 1 1 A 14 14 GLY CA C 17 44.900 44.592 0.308 1
1 167 . 15 1 1 A 14 14 GLY HA2 H 17 4.450 4.048 0.402 1
1 168 . 15 1 1 A 14 14 GLY HA3 H 17 3.860 4.050 -0.190 1
1 169 . 15 1 1 A 14 14 GLY C C 17 171.800 171.584 0.216 1
1 170 . 15 1 1 A 15 15 LYS N N 18 120.600 120.970 -0.370 1
1 171 . 15 1 1 A 15 15 LYS H H 18 8.430 8.360 0.070 1
1 172 . 15 1 1 A 15 15 LYS CA C 18 55.400 55.033 0.367 1
1 173 . 15 1 1 A 15 15 LYS HA H 18 5.080 4.790 0.290 1
1 174 . 15 1 1 A 15 15 LYS CB C 18 34.600 34.161 0.439 1
1 186 . 15 1 1 A 15 15 LYS C C 18 175.600 175.173 0.427 1
1 187 . 15 1 1 A 16 16 LYS N N 19 125.700 127.303 -1.603 1
1 188 . 15 1 1 A 16 16 LYS H H 19 9.160 9.450 -0.290 1
1 189 . 15 1 1 A 16 16 LYS CA C 19 55.000 55.279 -0.279 1
1 190 . 15 1 1 A 16 16 LYS HA H 19 4.620 4.835 -0.215 1
1 191 . 15 1 1 A 16 16 LYS CB C 19 36.100 33.686 2.414 1
1 201 . 15 1 1 A 16 16 LYS C C 19 174.000 174.670 -0.670 1
1 202 . 15 1 1 A 17 17 ILE N N 20 123.800 126.132 -2.332 1
1 203 . 15 1 1 A 17 17 ILE H H 20 8.420 8.617 -0.197 1
1 204 . 15 1 1 A 17 17 ILE CA C 20 60.400 60.483 -0.083 1
1 205 . 15 1 1 A 17 17 ILE HA H 20 4.620 4.777 -0.157 1
1 206 . 15 1 1 A 17 17 ILE CB C 20 37.900 39.487 -1.587 1
1 219 . 15 1 1 A 17 17 ILE C C 20 175.700 175.173 0.527 1
1 220 . 15 1 1 A 18 18 LEU N N 21 130.500 124.648 5.852 1
1 221 . 15 1 1 A 18 18 LEU H H 21 8.600 8.942 -0.342 1
1 222 . 15 1 1 A 18 18 LEU CA C 21 53.500 52.852 0.648 1
1 223 . 15 1 1 A 18 18 LEU HA H 21 4.490 5.148 -0.658 1
1 224 . 15 1 1 A 18 18 LEU CB C 21 44.500 45.926 -1.426 1
1 236 . 15 1 1 A 18 18 LEU C C 21 174.000 174.430 -0.430 1
1 237 . 15 1 1 A 19 19 GLU N N 22 116.200 118.281 -2.081 1
1 238 . 15 1 1 A 19 19 GLU H H 22 7.940 8.813 -0.873 1
1 239 . 15 1 1 A 19 19 GLU CA C 22 53.800 54.357 -0.557 1
1 240 . 15 1 1 A 19 19 GLU HA H 22 5.280 5.214 0.066 1
1 241 . 15 1 1 A 19 19 GLU CB C 22 33.400 34.088 -0.688 1
1 247 . 15 1 1 A 19 19 GLU C C 22 176.600 174.099 2.501 1
1 248 . 15 1 1 A 20 20 SER N N 23 114.700 114.864 -0.164 1
1 249 . 15 1 1 A 20 20 SER H H 23 8.630 8.612 0.018 1
1 250 . 15 1 1 A 20 20 SER CA C 23 57.400 56.353 1.047 1
1 251 . 15 1 1 A 20 20 SER HA H 23 4.780 5.068 -0.288 1
1 252 . 15 1 1 A 20 20 SER CB C 23 65.900 65.819 0.081 1
1 255 . 15 1 1 A 20 20 SER C C 23 174.100 174.352 -0.252 1
1 256 . 15 1 1 A 21 21 GLY N N 24 109.400 112.710 -3.310 1
1 257 . 15 1 1 A 21 21 GLY H H 24 8.340 8.744 -0.404 1
1 258 . 15 1 1 A 21 21 GLY CA C 24 45.100 45.746 -0.646 1
1 259 . 15 1 1 A 21 21 GLY HA2 H 24 4.470 3.876 0.594 1
1 260 . 15 1 1 A 21 21 GLY HA3 H 24 3.790 3.882 -0.092 1
1 261 . 15 1 1 A 21 21 GLY C C 24 172.600 173.890 -1.290 1
1 262 . 15 1 1 A 22 22 ALA N N 25 122.500 122.132 0.368 1
1 263 . 15 1 1 A 22 22 ALA H H 25 7.790 7.333 0.457 1
1 264 . 15 1 1 A 22 22 ALA CA C 25 49.900 49.647 0.253 1
1 265 . 15 1 1 A 22 22 ALA HA H 25 4.780 4.855 -0.075 1
1 269 . 15 1 1 A 22 22 ALA CB C 25 20.600 21.725 -1.125 1
1 271 . 15 1 1 A 23 23 PRO CA C 26 63.700 62.916 0.784 1
1 272 . 15 1 1 A 23 23 PRO HA H 26 4.400 4.573 -0.173 1
1 273 . 15 1 1 A 23 23 PRO CB C 26 31.900 32.014 -0.114 1
1 281 . 15 1 1 A 23 23 PRO C C 26 176.500 175.996 0.504 1
1 282 . 15 1 1 A 24 24 ARG N N 27 120.200 122.358 -2.158 1
1 283 . 15 1 1 A 24 24 ARG H H 27 7.810 8.337 -0.527 1
1 284 . 15 1 1 A 24 24 ARG CA C 27 53.800 54.123 -0.323 1
1 285 . 15 1 1 A 24 24 ARG HA H 27 4.680 4.698 -0.018 1
1 286 . 15 1 1 A 24 24 ARG CB C 27 35.600 34.390 1.210 1
1 295 . 15 1 1 A 24 24 ARG C C 27 174.300 174.446 -0.146 1
1 296 . 15 1 1 A 25 25 ARG N N 28 119.300 120.426 -1.126 1
1 297 . 15 1 1 A 25 25 ARG H H 28 8.900 8.611 0.289 1
1 298 . 15 1 1 A 25 25 ARG CA C 28 54.200 54.403 -0.203 1
1 299 . 15 1 1 A 25 25 ARG HA H 28 4.870 4.432 0.438 1
1 300 . 15 1 1 A 25 25 ARG CB C 28 32.200 31.978 0.222 1
1 309 . 15 1 1 A 25 25 ARG C C 28 178.300 177.759 0.541 1
1 310 . 15 1 1 A 26 26 ILE N N 29 123.500 123.166 0.334 1
1 311 . 15 1 1 A 26 26 ILE H H 29 8.630 9.370 -0.740 1
1 312 . 15 1 1 A 26 26 ILE CA C 29 65.200 64.791 0.409 1
1 313 . 15 1 1 A 26 26 ILE HA H 29 3.410 3.617 -0.207 1
1 314 . 15 1 1 A 26 26 ILE CB C 29 36.500 37.321 -0.821 1
1 327 . 15 1 1 A 26 26 ILE C C 29 178.600 178.049 0.551 1
1 328 . 15 1 1 A 27 27 LYS N N 30 115.100 120.501 -5.401 1
1 329 . 15 1 1 A 27 27 LYS H H 30 8.900 8.241 0.659 1
1 330 . 15 1 1 A 27 27 LYS CA C 30 59.300 60.016 -0.716 1
1 331 . 15 1 1 A 27 27 LYS HA H 30 3.900 3.854 0.046 1
1 332 . 15 1 1 A 27 27 LYS CB C 30 31.700 32.106 -0.406 1
1 344 . 15 1 1 A 27 27 LYS C C 30 178.000 178.365 -0.365 1
1 345 . 15 1 1 A 28 28 ASP N N 31 119.700 119.491 0.209 1
1 346 . 15 1 1 A 28 28 ASP H H 31 7.180 7.619 -0.439 1
1 347 . 15 1 1 A 28 28 ASP CA C 31 56.900 57.589 -0.689 1
1 348 . 15 1 1 A 28 28 ASP HA H 31 4.480 4.399 0.081 1
1 349 . 15 1 1 A 28 28 ASP CB C 31 41.300 41.598 -0.298 1
1 352 . 15 1 1 A 28 28 ASP C C 31 178.600 178.588 0.012 1
1 353 . 15 1 1 A 29 29 VAL N N 32 122.100 118.879 3.221 1
1 354 . 15 1 1 A 29 29 VAL H H 32 7.410 7.378 0.032 1
1 355 . 15 1 1 A 29 29 VAL CA C 32 65.900 66.504 -0.604 1
1 356 . 15 1 1 A 29 29 VAL HA H 32 3.730 3.591 0.139 1
1 357 . 15 1 1 A 29 29 VAL CB C 32 32.000 31.649 0.351 1
1 367 . 15 1 1 A 29 29 VAL C C 32 177.600 178.180 -0.580 1
1 368 . 15 1 1 A 30 30 LEU N N 33 118.000 120.689 -2.689 1
1 369 . 15 1 1 A 30 30 LEU H H 33 8.380 8.728 -0.348 1
1 370 . 15 1 1 A 30 30 LEU CA C 33 58.500 57.804 0.696 1
1 371 . 15 1 1 A 30 30 LEU HA H 33 3.910 3.964 -0.054 1
1 372 . 15 1 1 A 30 30 LEU CB C 33 39.200 41.792 -2.592 1
1 385 . 15 1 1 A 30 30 LEU C C 33 179.200 179.226 -0.026 1
1 386 . 15 1 1 A 31 31 GLY N N 34 104.500 106.580 -2.080 1
1 387 . 15 1 1 A 31 31 GLY H H 34 7.730 8.288 -0.558 1
1 388 . 15 1 1 A 31 31 GLY CA C 34 47.100 47.236 -0.136 1
1 389 . 15 1 1 A 31 31 GLY HA2 H 34 3.940 3.765 0.175 1
1 390 . 15 1 1 A 31 31 GLY HA3 H 34 3.940 3.768 0.172 1
1 391 . 15 1 1 A 31 31 GLY C C 34 177.500 175.977 1.523 1
1 392 . 15 1 1 A 32 32 GLU N N 35 124.300 121.751 2.549 1
1 393 . 15 1 1 A 32 32 GLU H H 35 7.750 7.703 0.047 1
1 394 . 15 1 1 A 32 32 GLU CA C 35 59.100 59.022 0.078 1
1 395 . 15 1 1 A 32 32 GLU HA H 35 4.130 4.069 0.061 1
1 396 . 15 1 1 A 32 32 GLU CB C 35 29.800 29.247 0.553 1
1 402 . 15 1 1 A 32 32 GLU C C 35 178.300 178.200 0.100 1
1 403 . 15 1 1 A 33 33 LEU N N 36 117.300 118.265 -0.965 1
1 404 . 15 1 1 A 33 33 LEU H H 36 7.750 7.686 0.064 1
1 405 . 15 1 1 A 33 33 LEU CA C 36 55.000 55.095 -0.095 1
1 406 . 15 1 1 A 33 33 LEU HA H 36 4.270 4.212 0.058 1
1 407 . 15 1 1 A 33 33 LEU CB C 36 42.100 42.259 -0.159 1
1 420 . 15 1 1 A 33 33 LEU C C 36 175.200 176.482 -1.282 1
1 421 . 15 1 1 A 34 34 GLU N N 37 115.500 118.519 -3.019 1
1 422 . 15 1 1 A 34 34 GLU H H 37 7.780 8.166 -0.386 1
1 423 . 15 1 1 A 34 34 GLU CA C 37 57.200 57.850 -0.650 1
1 424 . 15 1 1 A 34 34 GLU HA H 37 3.830 3.938 -0.108 1
1 425 . 15 1 1 A 34 34 GLU CB C 37 26.700 28.817 -2.117 1
1 431 . 15 1 1 A 34 34 GLU C C 37 175.300 175.078 0.222 1
1 432 . 15 1 1 A 35 35 ILE N N 38 121.300 120.403 0.897 1
1 433 . 15 1 1 A 35 35 ILE H H 38 8.010 7.616 0.394 1
1 434 . 15 1 1 A 35 35 ILE CA C 38 58.300 58.996 -0.696 1
1 435 . 15 1 1 A 35 35 ILE HA H 38 4.410 4.203 0.207 1
1 436 . 15 1 1 A 35 35 ILE CB C 38 40.300 38.578 1.722 1
1 450 . 15 1 1 A 36 36 PRO CA C 39 62.400 62.576 -0.176 1
1 451 . 15 1 1 A 36 36 PRO HA H 39 4.470 4.694 -0.224 1
1 452 . 15 1 1 A 36 36 PRO CB C 39 31.600 31.725 -0.125 1
1 460 . 15 1 1 A 36 36 PRO C C 39 179.200 177.599 1.601 1
1 461 . 15 1 1 A 37 37 ILE N N 40 127.500 125.822 1.678 1
1 462 . 15 1 1 A 37 37 ILE H H 40 8.350 8.958 -0.608 1
1 463 . 15 1 1 A 37 37 ILE CA C 40 63.700 62.960 0.740 1
1 464 . 15 1 1 A 37 37 ILE HA H 40 3.750 4.159 -0.409 1
1 465 . 15 1 1 A 37 37 ILE CB C 40 38.600 37.948 0.652 1
1 478 . 15 1 1 A 37 37 ILE C C 40 176.100 176.983 -0.883 1
1 479 . 15 1 1 A 38 38 GLU N N 41 118.500 122.139 -3.639 1
1 480 . 15 1 1 A 38 38 GLU H H 41 9.370 8.003 1.367 1
1 481 . 15 1 1 A 38 38 GLU CA C 41 58.400 59.411 -1.011 1
1 482 . 15 1 1 A 38 38 GLU HA H 41 4.330 4.053 0.277 1
1 483 . 15 1 1 A 38 38 GLU CB C 41 28.500 29.390 -0.890 1
1 489 . 15 1 1 A 38 38 GLU C C 41 177.600 178.835 -1.235 1
1 490 . 15 1 1 A 39 39 THR N N 42 107.400 114.422 -7.022 1
1 491 . 15 1 1 A 39 39 THR H H 42 7.810 7.872 -0.062 1
1 492 . 15 1 1 A 39 39 THR CA C 42 61.600 65.778 -4.178 1
1 493 . 15 1 1 A 39 39 THR HA H 42 4.520 4.150 0.370 1
1 494 . 15 1 1 A 39 39 THR CB C 42 70.300 69.116 1.184 1
1 500 . 15 1 1 A 39 39 THR C C 42 174.000 174.182 -0.182 1
1 501 . 15 1 1 A 40 40 VAL N N 43 112.000 116.961 -4.961 1
1 502 . 15 1 1 A 40 40 VAL H H 43 7.230 7.362 -0.132 1
1 503 . 15 1 1 A 40 40 VAL CA C 43 59.100 59.785 -0.685 1
1 504 . 15 1 1 A 40 40 VAL HA H 43 5.420 4.531 0.889 1
1 505 . 15 1 1 A 40 40 VAL CB C 43 36.400 34.382 2.018 1
1 515 . 15 1 1 A 40 40 VAL C C 43 175.200 174.917 0.283 1
1 516 . 15 1 1 A 41 41 VAL N N 44 120.400 121.436 -1.036 1
1 517 . 15 1 1 A 41 41 VAL H H 44 9.080 8.662 0.418 1
1 518 . 15 1 1 A 41 41 VAL CA C 44 61.500 61.385 0.115 1
1 519 . 15 1 1 A 41 41 VAL HA H 44 4.230 4.592 -0.362 1
1 520 . 15 1 1 A 41 41 VAL CB C 44 34.600 33.592 1.008 1
1 530 . 15 1 1 A 41 41 VAL C C 44 174.000 175.029 -1.029 1
1 531 . 15 1 1 A 42 42 VAL N N 45 123.400 127.629 -4.229 1
1 532 . 15 1 1 A 42 42 VAL H H 45 8.820 8.722 0.098 1
1 533 . 15 1 1 A 42 42 VAL CA C 45 60.000 60.684 -0.684 1
1 534 . 15 1 1 A 42 42 VAL HA H 45 5.120 5.029 0.091 1
1 535 . 15 1 1 A 42 42 VAL CB C 45 34.300 33.612 0.688 1
1 545 . 15 1 1 A 42 42 VAL C C 45 174.700 175.109 -0.409 1
1 546 . 15 1 1 A 43 43 LYS N N 46 121.700 126.125 -4.425 1
1 547 . 15 1 1 A 43 43 LYS H H 46 8.920 9.308 -0.388 1
1 548 . 15 1 1 A 43 43 LYS CA C 46 53.800 54.161 -0.361 1
1 549 . 15 1 1 A 43 43 LYS HA H 46 5.180 5.435 -0.255 1
1 550 . 15 1 1 A 43 43 LYS CB C 46 36.900 35.968 0.932 1
1 562 . 15 1 1 A 43 43 LYS C C 46 175.600 175.280 0.320 1
1 563 . 15 1 1 A 44 44 LYS N N 47 122.300 121.877 0.423 1
1 564 . 15 1 1 A 44 44 LYS H H 47 9.240 9.280 -0.040 1
1 565 . 15 1 1 A 44 44 LYS CA C 47 54.400 54.701 -0.301 1
1 566 . 15 1 1 A 44 44 LYS HA H 47 5.190 4.728 0.462 1
1 567 . 15 1 1 A 44 44 LYS CB C 47 36.100 32.525 3.575 1
1 578 . 15 1 1 A 44 44 LYS C C 47 176.000 177.027 -1.027 1
1 579 . 15 1 1 A 45 45 ASN N N 48 129.600 123.032 6.568 1
1 580 . 15 1 1 A 45 45 ASN H H 48 9.980 9.274 0.706 1
1 581 . 15 1 1 A 45 45 ASN CA C 48 54.300 54.101 0.199 1
1 582 . 15 1 1 A 45 45 ASN HA H 48 4.490 4.385 0.105 1
1 583 . 15 1 1 A 45 45 ASN CB C 48 37.200 37.569 -0.369 1
1 589 . 15 1 1 A 45 45 ASN C C 48 175.800 174.350 1.450 1
1 590 . 15 1 1 A 46 46 GLY N N 49 103.200 104.613 -1.413 1
1 591 . 15 1 1 A 46 46 GLY H H 49 9.340 8.330 1.010 1
1 592 . 15 1 1 A 46 46 GLY CA C 49 45.200 45.150 0.050 1
1 593 . 15 1 1 A 46 46 GLY HA2 H 49 4.300 4.112 0.188 1
1 594 . 15 1 1 A 46 46 GLY HA3 H 49 3.650 4.113 -0.463 1
1 595 . 15 1 1 A 46 46 GLY C C 49 173.600 174.499 -0.899 1
1 596 . 15 1 1 A 47 47 GLN N N 50 119.700 119.879 -0.179 1
1 597 . 15 1 1 A 47 47 GLN H H 50 7.690 7.850 -0.160 1
1 598 . 15 1 1 A 47 47 GLN CA C 50 53.500 55.453 -1.953 1
1 599 . 15 1 1 A 47 47 GLN HA H 50 4.770 4.448 0.322 1
1 600 . 15 1 1 A 47 47 GLN CB C 50 31.300 29.846 1.454 1
1 606 . 15 1 1 A 47 47 GLN C C 50 175.000 175.960 -0.960 1
1 607 . 15 1 1 A 48 48 ILE N N 51 125.800 124.174 1.626 1
1 608 . 15 1 1 A 48 48 ILE H H 51 8.790 8.463 0.327 1
1 609 . 15 1 1 A 48 48 ILE CA C 51 63.000 62.352 0.648 1
1 610 . 15 1 1 A 48 48 ILE HA H 51 4.380 4.250 0.130 1
1 611 . 15 1 1 A 48 48 ILE CB C 51 37.400 37.544 -0.144 1
1 624 . 15 1 1 A 48 48 ILE C C 51 176.500 175.919 0.581 1
1 625 . 15 1 1 A 49 49 VAL N N 52 121.900 121.110 0.790 1
1 626 . 15 1 1 A 49 49 VAL H H 52 8.290 8.645 -0.355 1
1 627 . 15 1 1 A 49 49 VAL CA C 52 58.900 59.246 -0.346 1
1 628 . 15 1 1 A 49 49 VAL HA H 52 4.860 5.086 -0.226 1
1 629 . 15 1 1 A 49 49 VAL CB C 52 35.700 36.157 -0.457 1
1 639 . 15 1 1 A 50 50 ILE N N 53 114.600 117.372 -2.772 1
1 640 . 15 1 1 A 50 50 ILE H H 53 8.020 8.167 -0.147 1
1 641 . 15 1 1 A 50 50 ILE CA C 53 60.500 58.917 1.583 1
1 642 . 15 1 1 A 50 50 ILE HA H 53 4.610 4.536 0.074 1
1 643 . 15 1 1 A 50 50 ILE CB C 53 39.500 39.368 0.132 1
1 656 . 15 1 1 A 50 50 ILE C C 53 177.000 176.187 0.813 1
1 657 . 15 1 1 A 51 51 ASP N N 54 118.300 121.210 -2.910 1
1 658 . 15 1 1 A 51 51 ASP H H 54 8.390 8.807 -0.417 1
1 659 . 15 1 1 A 51 51 ASP CA C 54 56.300 55.823 0.477 1
1 660 . 15 1 1 A 51 51 ASP HA H 54 4.010 4.479 -0.469 1
1 661 . 15 1 1 A 51 51 ASP CB C 54 40.200 40.716 -0.516 1
1 664 . 15 1 1 A 51 51 ASP C C 54 176.300 176.749 -0.449 1
1 665 . 15 1 1 A 52 52 GLU N N 55 116.900 117.385 -0.485 1
1 666 . 15 1 1 A 52 52 GLU H H 55 7.100 7.929 -0.829 1
1 667 . 15 1 1 A 52 52 GLU CA C 55 56.000 56.467 -0.467 1
1 668 . 15 1 1 A 52 52 GLU HA H 55 4.200 4.445 -0.245 1
1 669 . 15 1 1 A 52 52 GLU CB C 55 30.000 30.078 -0.078 1
1 675 . 15 1 1 A 52 52 GLU C C 55 175.700 175.657 0.043 1
1 676 . 15 1 1 A 53 53 GLU N N 56 120.300 121.986 -1.686 1
1 677 . 15 1 1 A 53 53 GLU H H 56 7.570 7.682 -0.112 1
1 678 . 15 1 1 A 53 53 GLU CA C 56 57.400 55.709 1.691 1
1 679 . 15 1 1 A 53 53 GLU HA H 56 4.090 4.739 -0.649 1
1 680 . 15 1 1 A 53 53 GLU CB C 56 30.300 31.642 -1.342 1
1 686 . 15 1 1 A 53 53 GLU C C 56 175.400 176.438 -1.038 1
1 687 . 15 1 1 A 54 54 GLU N N 57 123.400 123.179 0.221 1
1 688 . 15 1 1 A 54 54 GLU H H 57 8.430 8.558 -0.128 1
1 689 . 15 1 1 A 54 54 GLU CA C 57 56.500 56.522 -0.022 1
1 690 . 15 1 1 A 54 54 GLU HA H 57 4.320 4.338 -0.018 1
1 691 . 15 1 1 A 54 54 GLU CB C 57 32.200 30.635 1.565 1
1 697 . 15 1 1 A 54 54 GLU C C 57 174.300 175.435 -1.135 1
1 698 . 15 1 1 A 55 55 ILE N N 58 122.000 120.575 1.425 1
1 699 . 15 1 1 A 55 55 ILE H H 58 7.850 7.844 0.006 1
1 700 . 15 1 1 A 55 55 ILE CA C 58 60.400 59.932 0.468 1
1 701 . 15 1 1 A 55 55 ILE HA H 58 3.770 4.609 -0.839 1
1 702 . 15 1 1 A 55 55 ILE CB C 58 40.100 40.368 -0.268 1
1 715 . 15 1 1 A 55 55 ILE C C 58 172.900 174.614 -1.714 1
1 716 . 15 1 1 A 56 56 PHE N N 59 124.500 126.004 -1.504 1
1 717 . 15 1 1 A 56 56 PHE H H 59 8.970 9.074 -0.104 1
1 718 . 15 1 1 A 56 56 PHE CA C 59 55.900 56.644 -0.744 1
1 719 . 15 1 1 A 56 56 PHE HA H 59 4.820 5.042 -0.222 1
1 720 . 15 1 1 A 56 56 PHE CB C 59 41.900 42.636 -0.736 1
1 727 . 15 1 1 A 56 56 PHE C C 59 175.100 174.868 0.232 1
1 728 . 15 1 1 A 57 57 ASP N N 60 117.300 123.385 -6.085 1
1 729 . 15 1 1 A 57 57 ASP H H 60 8.320 8.867 -0.547 1
1 730 . 15 1 1 A 57 57 ASP CA C 60 56.400 55.980 0.420 1
1 731 . 15 1 1 A 57 57 ASP HA H 60 4.630 4.563 0.067 1
1 732 . 15 1 1 A 57 57 ASP CB C 60 42.700 40.450 2.250 1
1 735 . 15 1 1 A 57 57 ASP C C 60 177.900 177.156 0.744 1
1 736 . 15 1 1 A 58 58 GLY N N 61 114.600 113.940 0.660 1
1 737 . 15 1 1 A 58 58 GLY H H 61 9.700 9.571 0.129 1
1 738 . 15 1 1 A 58 58 GLY CA C 61 45.100 45.337 -0.237 1
1 739 . 15 1 1 A 58 58 GLY HA2 H 61 4.420 3.942 0.478 1
1 740 . 15 1 1 A 58 58 GLY HA3 H 61 3.770 3.948 -0.178 1
1 741 . 15 1 1 A 58 58 GLY C C 61 174.900 173.554 1.346 1
1 742 . 15 1 1 A 59 59 ASP N N 62 122.200 121.602 0.598 1
1 743 . 15 1 1 A 59 59 ASP H H 62 8.350 7.900 0.450 1
1 744 . 15 1 1 A 59 59 ASP CA C 62 55.900 53.460 2.440 1
1 745 . 15 1 1 A 59 59 ASP HA H 62 4.940 4.975 -0.035 1
1 746 . 15 1 1 A 59 59 ASP CB C 62 42.500 42.399 0.101 1
1 749 . 15 1 1 A 59 59 ASP C C 62 176.000 175.697 0.303 1
1 750 . 15 1 1 A 60 60 ILE N N 63 119.100 123.797 -4.697 1
1 751 . 15 1 1 A 60 60 ILE H H 63 8.400 8.705 -0.305 1
1 752 . 15 1 1 A 60 60 ILE CA C 63 60.700 60.226 0.474 1
1 753 . 15 1 1 A 60 60 ILE HA H 63 4.690 4.975 -0.285 1
1 754 . 15 1 1 A 60 60 ILE CB C 63 39.700 40.027 -0.327 1
1 767 . 15 1 1 A 60 60 ILE C C 63 175.400 174.619 0.781 1
1 768 . 15 1 1 A 61 61 ILE N N 64 130.300 129.431 0.869 1
1 769 . 15 1 1 A 61 61 ILE H H 64 9.550 9.335 0.215 1
1 770 . 15 1 1 A 61 61 ILE CA C 64 58.300 60.332 -2.032 1
1 771 . 15 1 1 A 61 61 ILE HA H 64 5.230 4.845 0.385 1
1 772 . 15 1 1 A 61 61 ILE CB C 64 38.700 38.710 -0.010 1
1 785 . 15 1 1 A 61 61 ILE C C 64 174.400 174.901 -0.501 1
1 786 . 15 1 1 A 62 62 GLU N N 65 126.800 126.978 -0.178 1
1 787 . 15 1 1 A 62 62 GLU H H 65 9.340 9.552 -0.212 1
1 788 . 15 1 1 A 62 62 GLU CA C 65 54.500 55.194 -0.694 1
1 789 . 15 1 1 A 62 62 GLU HA H 65 5.080 4.981 0.099 1
1 790 . 15 1 1 A 62 62 GLU CB C 65 33.300 31.414 1.886 1
1 796 . 15 1 1 A 62 62 GLU C C 65 174.300 175.538 -1.238 1
1 797 . 15 1 1 A 63 63 VAL N N 66 124.300 126.096 -1.796 1
1 798 . 15 1 1 A 63 63 VAL H H 66 8.710 8.775 -0.065 1
1 799 . 15 1 1 A 63 63 VAL CA C 66 61.900 61.926 -0.026 1
1 800 . 15 1 1 A 63 63 VAL HA H 66 4.420 4.731 -0.311 1
1 801 . 15 1 1 A 63 63 VAL CB C 66 32.600 31.805 0.795 1
1 811 . 15 1 1 A 63 63 VAL C C 66 175.300 175.063 0.237 1
1 812 . 15 1 1 A 64 64 ILE N N 67 131.200 128.582 2.618 1
1 813 . 15 1 1 A 64 64 ILE H H 67 9.180 9.142 0.038 1
1 814 . 15 1 1 A 64 64 ILE CA C 67 60.200 60.135 0.065 1
1 815 . 15 1 1 A 64 64 ILE HA H 67 4.360 4.615 -0.255 1
1 816 . 15 1 1 A 64 64 ILE CB C 67 40.400 38.319 2.081 1
1 829 . 15 1 1 A 64 64 ILE C C 67 175.300 176.058 -0.758 1
1 830 . 15 1 1 A 65 65 ARG N N 68 126.900 127.751 -0.851 1
1 831 . 15 1 1 A 65 65 ARG H H 68 9.020 8.429 0.591 1
1 832 . 15 1 1 A 65 65 ARG CA C 68 57.200 56.179 1.021 1
1 833 . 15 1 1 A 65 65 ARG HA H 68 4.480 4.105 0.375 1
1 834 . 15 1 1 A 65 65 ARG CB C 68 30.500 30.267 0.233 1
1 843 . 15 1 1 A 65 65 ARG C C 68 176.800 175.600 1.200 1
1 844 . 15 1 1 A 66 66 VAL N N 69 122.300 120.096 2.204 1
1 845 . 15 1 1 A 66 66 VAL H H 69 8.280 8.314 -0.034 1
1 846 . 15 1 1 A 66 66 VAL CA C 69 62.200 61.534 0.666 1
1 847 . 15 1 1 A 66 66 VAL HA H 69 4.100 4.295 -0.195 1
1 848 . 15 1 1 A 66 66 VAL CB C 69 32.800 32.856 -0.056 1
1 858 . 15 1 1 A 66 66 VAL C C 69 175.500 174.949 0.551 1
1 859 . 15 1 1 A 67 67 ILE N N 70 124.000 127.333 -3.333 1
1 860 . 15 1 1 A 67 67 ILE H H 70 7.930 8.254 -0.324 1
1 861 . 15 1 1 A 67 67 ILE CA C 70 60.300 60.662 -0.362 1
1 862 . 15 1 1 A 67 67 ILE HA H 70 4.210 4.237 -0.027 1
1 863 . 15 1 1 A 67 67 ILE CB C 70 38.900 39.382 -0.482 1
1 876 . 15 1 1 A 67 67 ILE C C 70 175.500 174.384 1.116 1
1 877 . 15 1 1 A 68 68 TYR N N 71 126.200 129.367 -3.167 1
1 878 . 15 1 1 A 68 68 TYR H H 71 8.450 8.932 -0.482 1
1 879 . 15 1 1 A 68 68 TYR CA C 71 57.900 57.730 0.170 1
1 880 . 15 1 1 A 68 68 TYR HA H 71 4.590 4.798 -0.208 1
1 881 . 15 1 1 A 68 68 TYR CB C 71 39.000 37.684 1.316 1
1 886 . 15 1 1 A 68 68 TYR C C 71 176.200 175.997 0.203 1
1 887 . 15 1 1 A 69 69 GLY N N 72 112.000 111.877 0.123 1
1 888 . 15 1 1 A 69 69 GLY H H 72 8.370 8.489 -0.119 1
1 889 . 15 1 1 A 69 69 GLY CA C 72 45.300 46.459 -1.159 1
1 890 . 15 1 1 A 69 69 GLY HA2 H 72 3.910 3.895 0.015 1
1 891 . 15 1 1 A 69 69 GLY HA3 H 72 3.910 3.912 -0.002 1
1 892 . 15 1 1 A 69 69 GLY C C 72 173.500 174.100 -0.600 1
1 10 . 16 1 1 A 2 2 VAL N N 5 122.400 121.950 0.450 1
1 11 . 16 1 1 A 2 2 VAL H H 5 8.290 8.769 -0.479 1
1 12 . 16 1 1 A 2 2 VAL CA C 5 62.400 61.727 0.673 1
1 13 . 16 1 1 A 2 2 VAL HA H 5 4.120 4.513 -0.393 1
1 14 . 16 1 1 A 2 2 VAL CB C 5 32.600 32.680 -0.080 1
1 24 . 16 1 1 A 2 2 VAL C C 5 175.700 175.821 -0.121 1
1 25 . 16 1 1 A 3 3 ILE N N 6 125.000 124.485 0.515 1
1 26 . 16 1 1 A 3 3 ILE H H 6 8.240 8.506 -0.266 1
1 27 . 16 1 1 A 3 3 ILE CA C 6 60.900 60.489 0.411 1
1 28 . 16 1 1 A 3 3 ILE HA H 6 4.210 4.493 -0.283 1
1 29 . 16 1 1 A 3 3 ILE CB C 6 38.700 38.975 -0.275 1
1 42 . 16 1 1 A 3 3 ILE C C 6 176.000 175.601 0.399 1
1 43 . 16 1 1 A 4 4 GLY N N 7 112.900 110.600 2.300 1
1 44 . 16 1 1 A 4 4 GLY H H 7 8.330 8.512 -0.182 1
1 45 . 16 1 1 A 4 4 GLY CA C 7 45.300 43.937 1.363 1
1 46 . 16 1 1 A 4 4 GLY HA2 H 7 4.140 4.128 0.012 1
1 47 . 16 1 1 A 4 4 GLY HA3 H 7 4.020 4.129 -0.109 1
1 48 . 16 1 1 A 4 4 GLY C C 7 172.800 171.953 0.847 1
1 49 . 16 1 1 A 5 5 MET N N 8 118.400 116.605 1.795 1
1 50 . 16 1 1 A 5 5 MET H H 8 8.540 8.469 0.071 1
1 51 . 16 1 1 A 5 5 MET CA C 8 54.800 54.470 0.330 1
1 52 . 16 1 1 A 5 5 MET HA H 8 4.820 5.293 -0.473 1
1 53 . 16 1 1 A 5 5 MET CB C 8 35.500 35.968 -0.468 1
1 63 . 16 1 1 A 5 5 MET C C 8 174.100 174.799 -0.699 1
1 64 . 16 1 1 A 6 6 LYS N N 9 122.000 120.474 1.526 1
1 65 . 16 1 1 A 6 6 LYS H H 9 9.150 9.416 -0.266 1
1 66 . 16 1 1 A 6 6 LYS CA C 9 55.100 54.733 0.367 1
1 67 . 16 1 1 A 6 6 LYS HA H 9 5.430 5.285 0.145 1
1 68 . 16 1 1 A 6 6 LYS CB C 9 36.100 34.910 1.190 1
1 80 . 16 1 1 A 6 6 LYS C C 9 174.500 175.448 -0.948 1
1 81 . 16 1 1 A 7 7 PHE N N 10 119.300 118.956 0.344 1
1 82 . 16 1 1 A 7 7 PHE H H 10 8.670 8.647 0.023 1
1 83 . 16 1 1 A 7 7 PHE CA C 10 55.700 54.956 0.744 1
1 84 . 16 1 1 A 7 7 PHE HA H 10 5.190 5.816 -0.626 1
1 85 . 16 1 1 A 7 7 PHE CB C 10 40.100 42.537 -2.437 1
1 92 . 16 1 1 A 7 7 PHE C C 10 172.400 172.464 -0.064 1
1 93 . 16 1 1 A 8 8 THR N N 11 116.500 117.246 -0.746 1
1 94 . 16 1 1 A 8 8 THR H H 11 8.440 9.091 -0.651 1
1 95 . 16 1 1 A 8 8 THR CA C 11 62.200 60.030 2.170 1
1 96 . 16 1 1 A 8 8 THR HA H 11 5.070 5.100 -0.030 1
1 97 . 16 1 1 A 8 8 THR CB C 11 70.800 71.257 -0.457 1
1 103 . 16 1 1 A 8 8 THR C C 11 173.300 172.038 1.262 1
1 104 . 16 1 1 A 9 9 VAL N N 12 126.200 126.904 -0.704 1
1 105 . 16 1 1 A 9 9 VAL H H 12 9.400 9.479 -0.079 1
1 106 . 16 1 1 A 9 9 VAL CA C 12 60.700 59.856 0.844 1
1 107 . 16 1 1 A 9 9 VAL HA H 12 5.090 5.555 -0.465 1
1 108 . 16 1 1 A 9 9 VAL CB C 12 34.100 34.181 -0.081 1
1 118 . 16 1 1 A 9 9 VAL C C 12 174.500 173.805 0.695 1
1 119 . 16 1 1 A 10 10 ILE N N 13 129.600 128.965 0.635 1
1 120 . 16 1 1 A 10 10 ILE H H 13 9.560 9.264 0.296 1
1 121 . 16 1 1 A 10 10 ILE CA C 13 61.400 59.317 2.083 1
1 122 . 16 1 1 A 10 10 ILE HA H 13 4.640 5.329 -0.689 1
1 123 . 16 1 1 A 10 10 ILE CB C 13 39.700 40.857 -1.157 1
1 136 . 16 1 1 A 10 10 ILE C C 13 175.200 174.214 0.986 1
1 137 . 16 1 1 A 11 11 THR N N 14 116.800 123.816 -7.016 1
1 138 . 16 1 1 A 11 11 THR H H 14 8.430 9.031 -0.601 1
1 139 . 16 1 1 A 11 11 THR CA C 14 59.200 60.907 -1.707 1
1 140 . 16 1 1 A 11 11 THR HA H 14 5.160 4.786 0.374 1
1 141 . 16 1 1 A 11 11 THR CB C 14 71.900 72.693 -0.793 1
1 147 . 16 1 1 A 11 11 THR C C 14 175.800 174.214 1.586 1
1 148 . 16 1 1 A 12 12 ASP N N 15 120.000 122.594 -2.594 1
1 149 . 16 1 1 A 12 12 ASP H H 15 9.010 8.883 0.127 1
1 150 . 16 1 1 A 12 12 ASP CA C 15 56.900 56.700 0.200 1
1 151 . 16 1 1 A 12 12 ASP HA H 15 4.440 4.449 -0.009 1
1 152 . 16 1 1 A 12 12 ASP CB C 15 40.900 40.355 0.545 1
1 155 . 16 1 1 A 12 12 ASP C C 15 176.600 176.823 -0.223 1
1 156 . 16 1 1 A 13 13 ASP N N 16 115.300 117.969 -2.669 1
1 157 . 16 1 1 A 13 13 ASP H H 16 8.090 7.918 0.172 1
1 158 . 16 1 1 A 13 13 ASP CA C 16 53.400 53.840 -0.440 1
1 159 . 16 1 1 A 13 13 ASP HA H 16 4.730 4.752 -0.022 1
1 160 . 16 1 1 A 13 13 ASP CB C 16 41.800 41.326 0.474 1
1 163 . 16 1 1 A 13 13 ASP C C 16 175.700 176.127 -0.427 1
1 164 . 16 1 1 A 14 14 GLY N N 17 108.000 107.636 0.364 1
1 165 . 16 1 1 A 14 14 GLY H H 17 7.610 7.609 0.001 1
1 166 . 16 1 1 A 14 14 GLY CA C 17 44.900 44.020 0.880 1
1 167 . 16 1 1 A 14 14 GLY HA2 H 17 4.450 4.058 0.392 1
1 168 . 16 1 1 A 14 14 GLY HA3 H 17 3.860 4.060 -0.200 1
1 169 . 16 1 1 A 14 14 GLY C C 17 171.800 172.533 -0.733 1
1 170 . 16 1 1 A 15 15 LYS N N 18 120.600 121.113 -0.513 1
1 171 . 16 1 1 A 15 15 LYS H H 18 8.430 8.481 -0.051 1
1 172 . 16 1 1 A 15 15 LYS CA C 18 55.400 55.012 0.388 1
1 173 . 16 1 1 A 15 15 LYS HA H 18 5.080 5.321 -0.241 1
1 174 . 16 1 1 A 15 15 LYS CB C 18 34.600 34.566 0.034 1
1 186 . 16 1 1 A 15 15 LYS C C 18 175.600 174.933 0.667 1
1 187 . 16 1 1 A 16 16 LYS N N 19 125.700 126.285 -0.585 1
1 188 . 16 1 1 A 16 16 LYS H H 19 9.160 8.933 0.227 1
1 189 . 16 1 1 A 16 16 LYS CA C 19 55.000 54.391 0.609 1
1 190 . 16 1 1 A 16 16 LYS HA H 19 4.620 4.948 -0.328 1
1 191 . 16 1 1 A 16 16 LYS CB C 19 36.100 35.830 0.270 1
1 201 . 16 1 1 A 16 16 LYS C C 19 174.000 174.534 -0.534 1
1 202 . 16 1 1 A 17 17 ILE N N 20 123.800 123.589 0.211 1
1 203 . 16 1 1 A 17 17 ILE H H 20 8.420 8.772 -0.352 1
1 204 . 16 1 1 A 17 17 ILE CA C 20 60.400 59.639 0.761 1
1 205 . 16 1 1 A 17 17 ILE HA H 20 4.620 4.908 -0.288 1
1 206 . 16 1 1 A 17 17 ILE CB C 20 37.900 40.639 -2.739 1
1 219 . 16 1 1 A 17 17 ILE C C 20 175.700 173.950 1.750 1
1 220 . 16 1 1 A 18 18 LEU N N 21 130.500 130.527 -0.027 1
1 221 . 16 1 1 A 18 18 LEU H H 21 8.600 9.292 -0.692 1
1 222 . 16 1 1 A 18 18 LEU CA C 21 53.500 52.720 0.780 1
1 223 . 16 1 1 A 18 18 LEU HA H 21 4.490 4.983 -0.493 1
1 224 . 16 1 1 A 18 18 LEU CB C 21 44.500 44.471 0.029 1
1 236 . 16 1 1 A 18 18 LEU C C 21 174.000 174.853 -0.853 1
1 237 . 16 1 1 A 19 19 GLU N N 22 116.200 124.736 -8.536 1
1 238 . 16 1 1 A 19 19 GLU H H 22 7.940 8.765 -0.825 1
1 239 . 16 1 1 A 19 19 GLU CA C 22 53.800 54.600 -0.800 1
1 240 . 16 1 1 A 19 19 GLU HA H 22 5.280 5.023 0.257 1
1 241 . 16 1 1 A 19 19 GLU CB C 22 33.400 33.024 0.376 1
1 247 . 16 1 1 A 19 19 GLU C C 22 176.600 174.897 1.703 1
1 248 . 16 1 1 A 20 20 SER N N 23 114.700 124.325 -9.625 1
1 249 . 16 1 1 A 20 20 SER H H 23 8.630 9.428 -0.798 1
1 250 . 16 1 1 A 20 20 SER CA C 23 57.400 57.387 0.013 1
1 251 . 16 1 1 A 20 20 SER HA H 23 4.780 5.032 -0.252 1
1 252 . 16 1 1 A 20 20 SER CB C 23 65.900 65.854 0.046 1
1 255 . 16 1 1 A 20 20 SER C C 23 174.100 174.876 -0.776 1
1 256 . 16 1 1 A 21 21 GLY N N 24 109.400 113.036 -3.636 1
1 257 . 16 1 1 A 21 21 GLY H H 24 8.340 8.667 -0.327 1
1 258 . 16 1 1 A 21 21 GLY CA C 24 45.100 45.863 -0.763 1
1 259 . 16 1 1 A 21 21 GLY HA2 H 24 4.470 3.880 0.590 1
1 260 . 16 1 1 A 21 21 GLY HA3 H 24 3.790 3.882 -0.092 1
1 261 . 16 1 1 A 21 21 GLY C C 24 172.600 173.935 -1.335 1
1 262 . 16 1 1 A 22 22 ALA N N 25 122.500 121.835 0.665 1
1 263 . 16 1 1 A 22 22 ALA H H 25 7.790 7.757 0.033 1
1 264 . 16 1 1 A 22 22 ALA CA C 25 49.900 49.658 0.242 1
1 265 . 16 1 1 A 22 22 ALA HA H 25 4.780 4.864 -0.084 1
1 269 . 16 1 1 A 22 22 ALA CB C 25 20.600 21.834 -1.234 1
1 271 . 16 1 1 A 23 23 PRO CA C 26 63.700 62.637 1.063 1
1 272 . 16 1 1 A 23 23 PRO HA H 26 4.400 4.840 -0.440 1
1 273 . 16 1 1 A 23 23 PRO CB C 26 31.900 31.791 0.109 1
1 281 . 16 1 1 A 23 23 PRO C C 26 176.500 176.068 0.432 1
1 282 . 16 1 1 A 24 24 ARG N N 27 120.200 123.540 -3.340 1
1 283 . 16 1 1 A 24 24 ARG H H 27 7.810 8.175 -0.365 1
1 284 . 16 1 1 A 24 24 ARG CA C 27 53.800 54.119 -0.319 1
1 285 . 16 1 1 A 24 24 ARG HA H 27 4.680 4.750 -0.070 1
1 286 . 16 1 1 A 24 24 ARG CB C 27 35.600 34.538 1.062 1
1 295 . 16 1 1 A 24 24 ARG C C 27 174.300 174.062 0.238 1
1 296 . 16 1 1 A 25 25 ARG N N 28 119.300 121.131 -1.831 1
1 297 . 16 1 1 A 25 25 ARG H H 28 8.900 8.865 0.035 1
1 298 . 16 1 1 A 25 25 ARG CA C 28 54.200 55.256 -1.056 1
1 299 . 16 1 1 A 25 25 ARG HA H 28 4.870 4.453 0.417 1
1 300 . 16 1 1 A 25 25 ARG CB C 28 32.200 32.032 0.168 1
1 309 . 16 1 1 A 25 25 ARG C C 28 178.300 177.332 0.968 1
1 310 . 16 1 1 A 26 26 ILE N N 29 123.500 124.696 -1.196 1
1 311 . 16 1 1 A 26 26 ILE H H 29 8.630 9.412 -0.782 1
1 312 . 16 1 1 A 26 26 ILE CA C 29 65.200 65.199 0.001 1
1 313 . 16 1 1 A 26 26 ILE HA H 29 3.410 3.598 -0.188 1
1 314 . 16 1 1 A 26 26 ILE CB C 29 36.500 37.369 -0.869 1
1 327 . 16 1 1 A 26 26 ILE C C 29 178.600 177.880 0.720 1
1 328 . 16 1 1 A 27 27 LYS N N 30 115.100 120.419 -5.319 1
1 329 . 16 1 1 A 27 27 LYS H H 30 8.900 7.728 1.172 1
1 330 . 16 1 1 A 27 27 LYS CA C 30 59.300 59.864 -0.564 1
1 331 . 16 1 1 A 27 27 LYS HA H 30 3.900 3.805 0.095 1
1 332 . 16 1 1 A 27 27 LYS CB C 30 31.700 32.156 -0.456 1
1 344 . 16 1 1 A 27 27 LYS C C 30 178.000 178.035 -0.035 1
1 345 . 16 1 1 A 28 28 ASP N N 31 119.700 119.590 0.110 1
1 346 . 16 1 1 A 28 28 ASP H H 31 7.180 7.934 -0.754 1
1 347 . 16 1 1 A 28 28 ASP CA C 31 56.900 57.023 -0.123 1
1 348 . 16 1 1 A 28 28 ASP HA H 31 4.480 4.378 0.102 1
1 349 . 16 1 1 A 28 28 ASP CB C 31 41.300 40.515 0.785 1
1 352 . 16 1 1 A 28 28 ASP C C 31 178.600 178.879 -0.279 1
1 353 . 16 1 1 A 29 29 VAL N N 32 122.100 119.395 2.705 1
1 354 . 16 1 1 A 29 29 VAL H H 32 7.410 7.546 -0.136 1
1 355 . 16 1 1 A 29 29 VAL CA C 32 65.900 66.756 -0.856 1
1 356 . 16 1 1 A 29 29 VAL HA H 32 3.730 3.605 0.125 1
1 357 . 16 1 1 A 29 29 VAL CB C 32 32.000 31.449 0.551 1
1 367 . 16 1 1 A 29 29 VAL C C 32 177.600 178.063 -0.463 1
1 368 . 16 1 1 A 30 30 LEU N N 33 118.000 120.830 -2.830 1
1 369 . 16 1 1 A 30 30 LEU H H 33 8.380 8.687 -0.307 1
1 370 . 16 1 1 A 30 30 LEU CA C 33 58.500 57.899 0.601 1
1 371 . 16 1 1 A 30 30 LEU HA H 33 3.910 3.949 -0.039 1
1 372 . 16 1 1 A 30 30 LEU CB C 33 39.200 41.921 -2.721 1
1 385 . 16 1 1 A 30 30 LEU C C 33 179.200 179.006 0.194 1
1 386 . 16 1 1 A 31 31 GLY N N 34 104.500 105.970 -1.470 1
1 387 . 16 1 1 A 31 31 GLY H H 34 7.730 8.293 -0.563 1
1 388 . 16 1 1 A 31 31 GLY CA C 34 47.100 47.147 -0.047 1
1 389 . 16 1 1 A 31 31 GLY HA2 H 34 3.940 3.763 0.177 1
1 390 . 16 1 1 A 31 31 GLY HA3 H 34 3.940 3.764 0.176 1
1 391 . 16 1 1 A 31 31 GLY C C 34 177.500 175.873 1.627 1
1 392 . 16 1 1 A 32 32 GLU N N 35 124.300 121.564 2.736 1
1 393 . 16 1 1 A 32 32 GLU H H 35 7.750 8.086 -0.336 1
1 394 . 16 1 1 A 32 32 GLU CA C 35 59.100 59.194 -0.094 1
1 395 . 16 1 1 A 32 32 GLU HA H 35 4.130 4.029 0.101 1
1 396 . 16 1 1 A 32 32 GLU CB C 35 29.800 29.723 0.077 1
1 402 . 16 1 1 A 32 32 GLU C C 35 178.300 178.307 -0.007 1
1 403 . 16 1 1 A 33 33 LEU N N 36 117.300 118.320 -1.020 1
1 404 . 16 1 1 A 33 33 LEU H H 36 7.750 7.721 0.029 1
1 405 . 16 1 1 A 33 33 LEU CA C 36 55.000 55.111 -0.111 1
1 406 . 16 1 1 A 33 33 LEU HA H 36 4.270 4.244 0.026 1
1 407 . 16 1 1 A 33 33 LEU CB C 36 42.100 42.140 -0.040 1
1 420 . 16 1 1 A 33 33 LEU C C 36 175.200 176.353 -1.153 1
1 421 . 16 1 1 A 34 34 GLU N N 37 115.500 118.679 -3.179 1
1 422 . 16 1 1 A 34 34 GLU H H 37 7.780 8.007 -0.227 1
1 423 . 16 1 1 A 34 34 GLU CA C 37 57.200 57.650 -0.450 1
1 424 . 16 1 1 A 34 34 GLU HA H 37 3.830 3.965 -0.135 1
1 425 . 16 1 1 A 34 34 GLU CB C 37 26.700 28.664 -1.964 1
1 431 . 16 1 1 A 34 34 GLU C C 37 175.300 175.155 0.145 1
1 432 . 16 1 1 A 35 35 ILE N N 38 121.300 120.142 1.158 1
1 433 . 16 1 1 A 35 35 ILE H H 38 8.010 7.743 0.267 1
1 434 . 16 1 1 A 35 35 ILE CA C 38 58.300 59.374 -1.074 1
1 435 . 16 1 1 A 35 35 ILE HA H 38 4.410 4.175 0.235 1
1 436 . 16 1 1 A 35 35 ILE CB C 38 40.300 38.637 1.663 1
1 450 . 16 1 1 A 36 36 PRO CA C 39 62.400 62.934 -0.534 1
1 451 . 16 1 1 A 36 36 PRO HA H 39 4.470 4.573 -0.103 1
1 452 . 16 1 1 A 36 36 PRO CB C 39 31.600 31.550 0.050 1
1 460 . 16 1 1 A 36 36 PRO C C 39 179.200 177.537 1.663 1
1 461 . 16 1 1 A 37 37 ILE N N 40 127.500 125.977 1.523 1
1 462 . 16 1 1 A 37 37 ILE H H 40 8.350 8.782 -0.432 1
1 463 . 16 1 1 A 37 37 ILE CA C 40 63.700 63.096 0.604 1
1 464 . 16 1 1 A 37 37 ILE HA H 40 3.750 4.033 -0.283 1
1 465 . 16 1 1 A 37 37 ILE CB C 40 38.600 37.996 0.604 1
1 478 . 16 1 1 A 37 37 ILE C C 40 176.100 177.040 -0.940 1
1 479 . 16 1 1 A 38 38 GLU N N 41 118.500 121.504 -3.004 1
1 480 . 16 1 1 A 38 38 GLU H H 41 9.370 7.949 1.421 1
1 481 . 16 1 1 A 38 38 GLU CA C 41 58.400 58.891 -0.491 1
1 482 . 16 1 1 A 38 38 GLU HA H 41 4.330 4.072 0.258 1
1 483 . 16 1 1 A 38 38 GLU CB C 41 28.500 29.292 -0.792 1
1 489 . 16 1 1 A 38 38 GLU C C 41 177.600 178.360 -0.760 1
1 490 . 16 1 1 A 39 39 THR N N 42 107.400 112.693 -5.293 1
1 491 . 16 1 1 A 39 39 THR H H 42 7.810 7.180 0.630 1
1 492 . 16 1 1 A 39 39 THR CA C 42 61.600 64.652 -3.052 1
1 493 . 16 1 1 A 39 39 THR HA H 42 4.520 4.296 0.224 1
1 494 . 16 1 1 A 39 39 THR CB C 42 70.300 70.327 -0.027 1
1 500 . 16 1 1 A 39 39 THR C C 42 174.000 174.675 -0.675 1
1 501 . 16 1 1 A 40 40 VAL N N 43 112.000 115.273 -3.273 1
1 502 . 16 1 1 A 40 40 VAL H H 43 7.230 7.412 -0.182 1
1 503 . 16 1 1 A 40 40 VAL CA C 43 59.100 59.245 -0.145 1
1 504 . 16 1 1 A 40 40 VAL HA H 43 5.420 4.770 0.650 1
1 505 . 16 1 1 A 40 40 VAL CB C 43 36.400 34.487 1.913 1
1 515 . 16 1 1 A 40 40 VAL C C 43 175.200 174.489 0.711 1
1 516 . 16 1 1 A 41 41 VAL N N 44 120.400 121.791 -1.391 1
1 517 . 16 1 1 A 41 41 VAL H H 44 9.080 9.005 0.075 1
1 518 . 16 1 1 A 41 41 VAL CA C 44 61.500 61.070 0.430 1
1 519 . 16 1 1 A 41 41 VAL HA H 44 4.230 4.689 -0.459 1
1 520 . 16 1 1 A 41 41 VAL CB C 44 34.600 34.001 0.599 1
1 530 . 16 1 1 A 41 41 VAL C C 44 174.000 174.803 -0.803 1
1 531 . 16 1 1 A 42 42 VAL N N 45 123.400 127.479 -4.079 1
1 532 . 16 1 1 A 42 42 VAL H H 45 8.820 8.717 0.103 1
1 533 . 16 1 1 A 42 42 VAL CA C 45 60.000 60.830 -0.830 1
1 534 . 16 1 1 A 42 42 VAL HA H 45 5.120 4.928 0.192 1
1 535 . 16 1 1 A 42 42 VAL CB C 45 34.300 33.703 0.597 1
1 545 . 16 1 1 A 42 42 VAL C C 45 174.700 174.962 -0.262 1
1 546 . 16 1 1 A 43 43 LYS N N 46 121.700 125.909 -4.209 1
1 547 . 16 1 1 A 43 43 LYS H H 46 8.920 9.315 -0.395 1
1 548 . 16 1 1 A 43 43 LYS CA C 46 53.800 54.284 -0.484 1
1 549 . 16 1 1 A 43 43 LYS HA H 46 5.180 5.329 -0.149 1
1 550 . 16 1 1 A 43 43 LYS CB C 46 36.900 35.885 1.015 1
1 562 . 16 1 1 A 43 43 LYS C C 46 175.600 174.999 0.601 1
1 563 . 16 1 1 A 44 44 LYS N N 47 122.300 119.659 2.641 1
1 564 . 16 1 1 A 44 44 LYS H H 47 9.240 8.990 0.250 1
1 565 . 16 1 1 A 44 44 LYS CA C 47 54.400 55.020 -0.620 1
1 566 . 16 1 1 A 44 44 LYS HA H 47 5.190 5.166 0.024 1
1 567 . 16 1 1 A 44 44 LYS CB C 47 36.100 34.490 1.610 1
1 578 . 16 1 1 A 44 44 LYS C C 47 176.000 176.002 -0.002 1
1 579 . 16 1 1 A 45 45 ASN N N 48 129.600 118.240 11.360 1
1 580 . 16 1 1 A 45 45 ASN H H 48 9.980 9.951 0.029 1
1 581 . 16 1 1 A 45 45 ASN CA C 48 54.300 54.147 0.153 1
1 582 . 16 1 1 A 45 45 ASN HA H 48 4.490 4.385 0.105 1
1 583 . 16 1 1 A 45 45 ASN CB C 48 37.200 37.375 -0.175 1
1 589 . 16 1 1 A 45 45 ASN C C 48 175.800 174.478 1.322 1
1 590 . 16 1 1 A 46 46 GLY N N 49 103.200 104.764 -1.564 1
1 591 . 16 1 1 A 46 46 GLY H H 49 9.340 8.325 1.015 1
1 592 . 16 1 1 A 46 46 GLY CA C 49 45.200 45.090 0.110 1
1 593 . 16 1 1 A 46 46 GLY HA2 H 49 4.300 3.975 0.325 1
1 594 . 16 1 1 A 46 46 GLY HA3 H 49 3.650 3.979 -0.329 1
1 595 . 16 1 1 A 46 46 GLY C C 49 173.600 173.585 0.015 1
1 596 . 16 1 1 A 47 47 GLN N N 50 119.700 119.533 0.167 1
1 597 . 16 1 1 A 47 47 GLN H H 50 7.690 7.688 0.002 1
1 598 . 16 1 1 A 47 47 GLN CA C 50 53.500 54.501 -1.001 1
1 599 . 16 1 1 A 47 47 GLN HA H 50 4.770 4.541 0.229 1
1 600 . 16 1 1 A 47 47 GLN CB C 50 31.300 29.976 1.324 1
1 606 . 16 1 1 A 47 47 GLN C C 50 175.000 175.012 -0.012 1
1 607 . 16 1 1 A 48 48 ILE N N 51 125.800 127.861 -2.061 1
1 608 . 16 1 1 A 48 48 ILE H H 51 8.790 8.609 0.181 1
1 609 . 16 1 1 A 48 48 ILE CA C 51 63.000 62.781 0.219 1
1 610 . 16 1 1 A 48 48 ILE HA H 51 4.380 4.335 0.045 1
1 611 . 16 1 1 A 48 48 ILE CB C 51 37.400 38.032 -0.632 1
1 624 . 16 1 1 A 48 48 ILE C C 51 176.500 175.021 1.479 1
1 625 . 16 1 1 A 49 49 VAL N N 52 121.900 122.408 -0.508 1
1 626 . 16 1 1 A 49 49 VAL H H 52 8.290 9.203 -0.913 1
1 627 . 16 1 1 A 49 49 VAL CA C 52 58.900 58.831 0.069 1
1 628 . 16 1 1 A 49 49 VAL HA H 52 4.860 4.949 -0.089 1
1 629 . 16 1 1 A 49 49 VAL CB C 52 35.700 35.687 0.013 1
1 639 . 16 1 1 A 50 50 ILE N N 53 114.600 119.678 -5.078 1
1 640 . 16 1 1 A 50 50 ILE H H 53 8.020 8.301 -0.281 1
1 641 . 16 1 1 A 50 50 ILE CA C 53 60.500 58.957 1.543 1
1 642 . 16 1 1 A 50 50 ILE HA H 53 4.610 4.464 0.146 1
1 643 . 16 1 1 A 50 50 ILE CB C 53 39.500 39.250 0.250 1
1 656 . 16 1 1 A 50 50 ILE C C 53 177.000 177.282 -0.282 1
1 657 . 16 1 1 A 51 51 ASP N N 54 118.300 121.111 -2.811 1
1 658 . 16 1 1 A 51 51 ASP H H 54 8.390 8.925 -0.535 1
1 659 . 16 1 1 A 51 51 ASP CA C 54 56.300 55.760 0.540 1
1 660 . 16 1 1 A 51 51 ASP HA H 54 4.010 4.454 -0.444 1
1 661 . 16 1 1 A 51 51 ASP CB C 54 40.200 39.772 0.428 1
1 664 . 16 1 1 A 51 51 ASP C C 54 176.300 177.235 -0.935 1
1 665 . 16 1 1 A 52 52 GLU N N 55 116.900 119.039 -2.139 1
1 666 . 16 1 1 A 52 52 GLU H H 55 7.100 7.901 -0.801 1
1 667 . 16 1 1 A 52 52 GLU CA C 55 56.000 58.275 -2.275 1
1 668 . 16 1 1 A 52 52 GLU HA H 55 4.200 4.152 0.048 1
1 669 . 16 1 1 A 52 52 GLU CB C 55 30.000 29.640 0.360 1
1 675 . 16 1 1 A 52 52 GLU C C 55 175.700 176.929 -1.229 1
1 676 . 16 1 1 A 53 53 GLU N N 56 120.300 119.435 0.865 1
1 677 . 16 1 1 A 53 53 GLU H H 56 7.570 7.577 -0.007 1
1 678 . 16 1 1 A 53 53 GLU CA C 56 57.400 55.611 1.789 1
1 679 . 16 1 1 A 53 53 GLU HA H 56 4.090 4.411 -0.321 1
1 680 . 16 1 1 A 53 53 GLU CB C 56 30.300 30.297 0.003 1
1 686 . 16 1 1 A 53 53 GLU C C 56 175.400 176.081 -0.681 1
1 687 . 16 1 1 A 54 54 GLU N N 57 123.400 121.581 1.819 1
1 688 . 16 1 1 A 54 54 GLU H H 57 8.430 8.466 -0.036 1
1 689 . 16 1 1 A 54 54 GLU CA C 57 56.500 56.396 0.104 1
1 690 . 16 1 1 A 54 54 GLU HA H 57 4.320 4.318 0.002 1
1 691 . 16 1 1 A 54 54 GLU CB C 57 32.200 30.548 1.652 1
1 697 . 16 1 1 A 54 54 GLU C C 57 174.300 175.769 -1.469 1
1 698 . 16 1 1 A 55 55 ILE N N 58 122.000 121.261 0.739 1
1 699 . 16 1 1 A 55 55 ILE H H 58 7.850 8.028 -0.178 1
1 700 . 16 1 1 A 55 55 ILE CA C 58 60.400 59.893 0.507 1
1 701 . 16 1 1 A 55 55 ILE HA H 58 3.770 4.720 -0.950 1
1 702 . 16 1 1 A 55 55 ILE CB C 58 40.100 40.003 0.097 1
1 715 . 16 1 1 A 55 55 ILE C C 58 172.900 174.915 -2.015 1
1 716 . 16 1 1 A 56 56 PHE N N 59 124.500 125.135 -0.635 1
1 717 . 16 1 1 A 56 56 PHE H H 59 8.970 8.897 0.073 1
1 718 . 16 1 1 A 56 56 PHE CA C 59 55.900 56.090 -0.190 1
1 719 . 16 1 1 A 56 56 PHE HA H 59 4.820 5.137 -0.317 1
1 720 . 16 1 1 A 56 56 PHE CB C 59 41.900 41.893 0.007 1
1 727 . 16 1 1 A 56 56 PHE C C 59 175.100 174.983 0.117 1
1 728 . 16 1 1 A 57 57 ASP N N 60 117.300 123.421 -6.121 1
1 729 . 16 1 1 A 57 57 ASP H H 60 8.320 8.955 -0.635 1
1 730 . 16 1 1 A 57 57 ASP CA C 60 56.400 56.025 0.375 1
1 731 . 16 1 1 A 57 57 ASP HA H 60 4.630 4.455 0.175 1
1 732 . 16 1 1 A 57 57 ASP CB C 60 42.700 40.365 2.335 1
1 735 . 16 1 1 A 57 57 ASP C C 60 177.900 177.179 0.721 1
1 736 . 16 1 1 A 58 58 GLY N N 61 114.600 113.915 0.685 1
1 737 . 16 1 1 A 58 58 GLY H H 61 9.700 9.258 0.442 1
1 738 . 16 1 1 A 58 58 GLY CA C 61 45.100 45.690 -0.590 1
1 739 . 16 1 1 A 58 58 GLY HA2 H 61 4.420 3.936 0.484 1
1 740 . 16 1 1 A 58 58 GLY HA3 H 61 3.770 3.943 -0.173 1
1 741 . 16 1 1 A 58 58 GLY C C 61 174.900 173.546 1.354 1
1 742 . 16 1 1 A 59 59 ASP N N 62 122.200 120.699 1.501 1
1 743 . 16 1 1 A 59 59 ASP H H 62 8.350 7.811 0.539 1
1 744 . 16 1 1 A 59 59 ASP CA C 62 55.900 53.164 2.736 1
1 745 . 16 1 1 A 59 59 ASP HA H 62 4.940 5.044 -0.104 1
1 746 . 16 1 1 A 59 59 ASP CB C 62 42.500 43.010 -0.510 1
1 749 . 16 1 1 A 59 59 ASP C C 62 176.000 175.668 0.332 1
1 750 . 16 1 1 A 60 60 ILE N N 63 119.100 123.345 -4.245 1
1 751 . 16 1 1 A 60 60 ILE H H 63 8.400 8.818 -0.418 1
1 752 . 16 1 1 A 60 60 ILE CA C 63 60.700 60.396 0.304 1
1 753 . 16 1 1 A 60 60 ILE HA H 63 4.690 4.851 -0.161 1
1 754 . 16 1 1 A 60 60 ILE CB C 63 39.700 39.733 -0.033 1
1 767 . 16 1 1 A 60 60 ILE C C 63 175.400 174.658 0.742 1
1 768 . 16 1 1 A 61 61 ILE N N 64 130.300 129.208 1.092 1
1 769 . 16 1 1 A 61 61 ILE H H 64 9.550 9.769 -0.219 1
1 770 . 16 1 1 A 61 61 ILE CA C 64 58.300 60.689 -2.389 1
1 771 . 16 1 1 A 61 61 ILE HA H 64 5.230 4.928 0.302 1
1 772 . 16 1 1 A 61 61 ILE CB C 64 38.700 38.707 -0.007 1
1 785 . 16 1 1 A 61 61 ILE C C 64 174.400 174.606 -0.206 1
1 786 . 16 1 1 A 62 62 GLU N N 65 126.800 128.691 -1.891 1
1 787 . 16 1 1 A 62 62 GLU H H 65 9.340 9.396 -0.056 1
1 788 . 16 1 1 A 62 62 GLU CA C 65 54.500 54.904 -0.404 1
1 789 . 16 1 1 A 62 62 GLU HA H 65 5.080 4.964 0.116 1
1 790 . 16 1 1 A 62 62 GLU CB C 65 33.300 31.284 2.016 1
1 796 . 16 1 1 A 62 62 GLU C C 65 174.300 175.436 -1.136 1
1 797 . 16 1 1 A 63 63 VAL N N 66 124.300 127.274 -2.974 1
1 798 . 16 1 1 A 63 63 VAL H H 66 8.710 8.821 -0.111 1
1 799 . 16 1 1 A 63 63 VAL CA C 66 61.900 61.949 -0.049 1
1 800 . 16 1 1 A 63 63 VAL HA H 66 4.420 4.680 -0.260 1
1 801 . 16 1 1 A 63 63 VAL CB C 66 32.600 31.976 0.624 1
1 811 . 16 1 1 A 63 63 VAL C C 66 175.300 174.961 0.339 1
1 812 . 16 1 1 A 64 64 ILE N N 67 131.200 128.554 2.646 1
1 813 . 16 1 1 A 64 64 ILE H H 67 9.180 9.485 -0.305 1
1 814 . 16 1 1 A 64 64 ILE CA C 67 60.200 60.563 -0.363 1
1 815 . 16 1 1 A 64 64 ILE HA H 67 4.360 4.639 -0.279 1
1 816 . 16 1 1 A 64 64 ILE CB C 67 40.400 37.225 3.175 1
1 829 . 16 1 1 A 64 64 ILE C C 67 175.300 176.009 -0.709 1
1 830 . 16 1 1 A 65 65 ARG N N 68 126.900 127.401 -0.501 1
1 831 . 16 1 1 A 65 65 ARG H H 68 9.020 8.382 0.638 1
1 832 . 16 1 1 A 65 65 ARG CA C 68 57.200 56.126 1.074 1
1 833 . 16 1 1 A 65 65 ARG HA H 68 4.480 4.229 0.251 1
1 834 . 16 1 1 A 65 65 ARG CB C 68 30.500 30.278 0.222 1
1 843 . 16 1 1 A 65 65 ARG C C 68 176.800 175.828 0.972 1
1 844 . 16 1 1 A 66 66 VAL N N 69 122.300 118.399 3.901 1
1 845 . 16 1 1 A 66 66 VAL H H 69 8.280 8.426 -0.146 1
1 846 . 16 1 1 A 66 66 VAL CA C 69 62.200 61.628 0.572 1
1 847 . 16 1 1 A 66 66 VAL HA H 69 4.100 4.327 -0.227 1
1 848 . 16 1 1 A 66 66 VAL CB C 69 32.800 32.815 -0.015 1
1 858 . 16 1 1 A 66 66 VAL C C 69 175.500 175.160 0.340 1
1 859 . 16 1 1 A 67 67 ILE N N 70 124.000 125.580 -1.580 1
1 860 . 16 1 1 A 67 67 ILE H H 70 7.930 8.656 -0.726 1
1 861 . 16 1 1 A 67 67 ILE CA C 70 60.300 61.230 -0.930 1
1 862 . 16 1 1 A 67 67 ILE HA H 70 4.210 4.330 -0.120 1
1 863 . 16 1 1 A 67 67 ILE CB C 70 38.900 37.843 1.057 1
1 876 . 16 1 1 A 67 67 ILE C C 70 175.500 174.910 0.590 1
1 877 . 16 1 1 A 68 68 TYR N N 71 126.200 129.859 -3.659 1
1 878 . 16 1 1 A 68 68 TYR H H 71 8.450 8.482 -0.032 1
1 879 . 16 1 1 A 68 68 TYR CA C 71 57.900 59.115 -1.215 1
1 880 . 16 1 1 A 68 68 TYR HA H 71 4.590 4.717 -0.127 1
1 881 . 16 1 1 A 68 68 TYR CB C 71 39.000 39.692 -0.692 1
1 886 . 16 1 1 A 68 68 TYR C C 71 176.200 175.871 0.329 1
1 887 . 16 1 1 A 69 69 GLY N N 72 112.000 107.994 4.006 1
1 888 . 16 1 1 A 69 69 GLY H H 72 8.370 8.438 -0.068 1
1 889 . 16 1 1 A 69 69 GLY CA C 72 45.300 47.453 -2.153 1
1 890 . 16 1 1 A 69 69 GLY HA2 H 72 3.910 3.846 0.064 1
1 891 . 16 1 1 A 69 69 GLY HA3 H 72 3.910 3.885 0.025 1
1 892 . 16 1 1 A 69 69 GLY C C 72 173.500 174.528 -1.028 1
1 10 . 17 1 1 A 2 2 VAL N N 5 122.400 122.688 -0.288 1
1 11 . 17 1 1 A 2 2 VAL H H 5 8.290 8.676 -0.386 1
1 12 . 17 1 1 A 2 2 VAL CA C 5 62.400 61.834 0.566 1
1 13 . 17 1 1 A 2 2 VAL HA H 5 4.120 4.554 -0.434 1
1 14 . 17 1 1 A 2 2 VAL CB C 5 32.600 32.387 0.213 1
1 24 . 17 1 1 A 2 2 VAL C C 5 175.700 174.963 0.737 1
1 25 . 17 1 1 A 3 3 ILE N N 6 125.000 127.852 -2.852 1
1 26 . 17 1 1 A 3 3 ILE H H 6 8.240 8.844 -0.604 1
1 27 . 17 1 1 A 3 3 ILE CA C 6 60.900 59.920 0.980 1
1 28 . 17 1 1 A 3 3 ILE HA H 6 4.210 4.689 -0.479 1
1 29 . 17 1 1 A 3 3 ILE CB C 6 38.700 39.952 -1.252 1
1 42 . 17 1 1 A 3 3 ILE C C 6 176.000 176.357 -0.357 1
1 43 . 17 1 1 A 4 4 GLY N N 7 112.900 114.885 -1.985 1
1 44 . 17 1 1 A 4 4 GLY H H 7 8.330 8.587 -0.257 1
1 45 . 17 1 1 A 4 4 GLY CA C 7 45.300 45.430 -0.130 1
1 46 . 17 1 1 A 4 4 GLY HA2 H 7 4.140 4.079 0.061 1
1 47 . 17 1 1 A 4 4 GLY HA3 H 7 4.020 4.084 -0.064 1
1 48 . 17 1 1 A 4 4 GLY C C 7 172.800 173.917 -1.117 1
1 49 . 17 1 1 A 5 5 MET N N 8 118.400 120.558 -2.158 1
1 50 . 17 1 1 A 5 5 MET H H 8 8.540 8.087 0.453 1
1 51 . 17 1 1 A 5 5 MET CA C 8 54.800 53.621 1.179 1
1 52 . 17 1 1 A 5 5 MET HA H 8 4.820 5.534 -0.714 1
1 53 . 17 1 1 A 5 5 MET CB C 8 35.500 35.807 -0.307 1
1 63 . 17 1 1 A 5 5 MET C C 8 174.100 174.976 -0.876 1
1 64 . 17 1 1 A 6 6 LYS N N 9 122.000 120.671 1.329 1
1 65 . 17 1 1 A 6 6 LYS H H 9 9.150 8.556 0.594 1
1 66 . 17 1 1 A 6 6 LYS CA C 9 55.100 54.986 0.114 1
1 67 . 17 1 1 A 6 6 LYS HA H 9 5.430 5.005 0.425 1
1 68 . 17 1 1 A 6 6 LYS CB C 9 36.100 35.441 0.659 1
1 80 . 17 1 1 A 6 6 LYS C C 9 174.500 176.157 -1.657 1
1 81 . 17 1 1 A 7 7 PHE N N 10 119.300 118.565 0.735 1
1 82 . 17 1 1 A 7 7 PHE H H 10 8.670 8.786 -0.116 1
1 83 . 17 1 1 A 7 7 PHE CA C 10 55.700 56.180 -0.480 1
1 84 . 17 1 1 A 7 7 PHE HA H 10 5.190 5.538 -0.348 1
1 85 . 17 1 1 A 7 7 PHE CB C 10 40.100 42.287 -2.187 1
1 92 . 17 1 1 A 7 7 PHE C C 10 172.400 172.356 0.044 1
1 93 . 17 1 1 A 8 8 THR N N 11 116.500 116.343 0.157 1
1 94 . 17 1 1 A 8 8 THR H H 11 8.440 8.571 -0.131 1
1 95 . 17 1 1 A 8 8 THR CA C 11 62.200 61.857 0.343 1
1 96 . 17 1 1 A 8 8 THR HA H 11 5.070 4.950 0.120 1
1 97 . 17 1 1 A 8 8 THR CB C 11 70.800 69.777 1.023 1
1 103 . 17 1 1 A 8 8 THR C C 11 173.300 173.084 0.216 1
1 104 . 17 1 1 A 9 9 VAL N N 12 126.200 127.069 -0.869 1
1 105 . 17 1 1 A 9 9 VAL H H 12 9.400 9.399 0.001 1
1 106 . 17 1 1 A 9 9 VAL CA C 12 60.700 59.758 0.942 1
1 107 . 17 1 1 A 9 9 VAL HA H 12 5.090 5.800 -0.710 1
1 108 . 17 1 1 A 9 9 VAL CB C 12 34.100 34.239 -0.139 1
1 118 . 17 1 1 A 9 9 VAL C C 12 174.500 173.917 0.583 1
1 119 . 17 1 1 A 10 10 ILE N N 13 129.600 129.026 0.574 1
1 120 . 17 1 1 A 10 10 ILE H H 13 9.560 8.903 0.657 1
1 121 . 17 1 1 A 10 10 ILE CA C 13 61.400 60.358 1.042 1
1 122 . 17 1 1 A 10 10 ILE HA H 13 4.640 4.699 -0.059 1
1 123 . 17 1 1 A 10 10 ILE CB C 13 39.700 39.389 0.311 1
1 136 . 17 1 1 A 10 10 ILE C C 13 175.200 175.358 -0.158 1
1 137 . 17 1 1 A 11 11 THR N N 14 116.800 119.451 -2.651 1
1 138 . 17 1 1 A 11 11 THR H H 14 8.430 8.631 -0.201 1
1 139 . 17 1 1 A 11 11 THR CA C 14 59.200 59.988 -0.788 1
1 140 . 17 1 1 A 11 11 THR HA H 14 5.160 4.869 0.291 1
1 141 . 17 1 1 A 11 11 THR CB C 14 71.900 72.124 -0.224 1
1 147 . 17 1 1 A 11 11 THR C C 14 175.800 174.278 1.522 1
1 148 . 17 1 1 A 12 12 ASP N N 15 120.000 119.972 0.028 1
1 149 . 17 1 1 A 12 12 ASP H H 15 9.010 9.149 -0.139 1
1 150 . 17 1 1 A 12 12 ASP CA C 15 56.900 56.392 0.508 1
1 151 . 17 1 1 A 12 12 ASP HA H 15 4.440 4.466 -0.026 1
1 152 . 17 1 1 A 12 12 ASP CB C 15 40.900 40.119 0.781 1
1 155 . 17 1 1 A 12 12 ASP C C 15 176.600 176.402 0.198 1
1 156 . 17 1 1 A 13 13 ASP N N 16 115.300 115.777 -0.477 1
1 157 . 17 1 1 A 13 13 ASP H H 16 8.090 8.092 -0.002 1
1 158 . 17 1 1 A 13 13 ASP CA C 16 53.400 53.537 -0.137 1
1 159 . 17 1 1 A 13 13 ASP HA H 16 4.730 4.516 0.214 1
1 160 . 17 1 1 A 13 13 ASP CB C 16 41.800 40.103 1.697 1
1 163 . 17 1 1 A 13 13 ASP C C 16 175.700 175.854 -0.154 1
1 164 . 17 1 1 A 14 14 GLY N N 17 108.000 107.236 0.764 1
1 165 . 17 1 1 A 14 14 GLY H H 17 7.610 7.036 0.574 1
1 166 . 17 1 1 A 14 14 GLY CA C 17 44.900 43.942 0.958 1
1 167 . 17 1 1 A 14 14 GLY HA2 H 17 4.450 4.057 0.393 1
1 168 . 17 1 1 A 14 14 GLY HA3 H 17 3.860 4.061 -0.201 1
1 169 . 17 1 1 A 14 14 GLY C C 17 171.800 171.862 -0.062 1
1 170 . 17 1 1 A 15 15 LYS N N 18 120.600 121.191 -0.591 1
1 171 . 17 1 1 A 15 15 LYS H H 18 8.430 8.377 0.053 1
1 172 . 17 1 1 A 15 15 LYS CA C 18 55.400 55.729 -0.329 1
1 173 . 17 1 1 A 15 15 LYS HA H 18 5.080 4.666 0.414 1
1 174 . 17 1 1 A 15 15 LYS CB C 18 34.600 33.524 1.076 1
1 186 . 17 1 1 A 15 15 LYS C C 18 175.600 175.032 0.568 1
1 187 . 17 1 1 A 16 16 LYS N N 19 125.700 127.699 -1.999 1
1 188 . 17 1 1 A 16 16 LYS H H 19 9.160 9.286 -0.126 1
1 189 . 17 1 1 A 16 16 LYS CA C 19 55.000 54.606 0.394 1
1 190 . 17 1 1 A 16 16 LYS HA H 19 4.620 4.969 -0.349 1
1 191 . 17 1 1 A 16 16 LYS CB C 19 36.100 34.513 1.587 1
1 201 . 17 1 1 A 16 16 LYS C C 19 174.000 174.833 -0.833 1
1 202 . 17 1 1 A 17 17 ILE N N 20 123.800 128.403 -4.603 1
1 203 . 17 1 1 A 17 17 ILE H H 20 8.420 8.685 -0.265 1
1 204 . 17 1 1 A 17 17 ILE CA C 20 60.400 60.357 0.043 1
1 205 . 17 1 1 A 17 17 ILE HA H 20 4.620 4.756 -0.136 1
1 206 . 17 1 1 A 17 17 ILE CB C 20 37.900 39.713 -1.813 1
1 219 . 17 1 1 A 17 17 ILE C C 20 175.700 175.140 0.560 1
1 220 . 17 1 1 A 18 18 LEU N N 21 130.500 124.462 6.038 1
1 221 . 17 1 1 A 18 18 LEU H H 21 8.600 8.586 0.014 1
1 222 . 17 1 1 A 18 18 LEU CA C 21 53.500 53.102 0.398 1
1 223 . 17 1 1 A 18 18 LEU HA H 21 4.490 4.946 -0.456 1
1 224 . 17 1 1 A 18 18 LEU CB C 21 44.500 45.517 -1.017 1
1 236 . 17 1 1 A 18 18 LEU C C 21 174.000 175.048 -1.048 1
1 237 . 17 1 1 A 19 19 GLU N N 22 116.200 119.208 -3.008 1
1 238 . 17 1 1 A 19 19 GLU H H 22 7.940 8.563 -0.623 1
1 239 . 17 1 1 A 19 19 GLU CA C 22 53.800 54.478 -0.678 1
1 240 . 17 1 1 A 19 19 GLU HA H 22 5.280 5.302 -0.022 1
1 241 . 17 1 1 A 19 19 GLU CB C 22 33.400 33.107 0.293 1
1 247 . 17 1 1 A 19 19 GLU C C 22 176.600 174.523 2.077 1
1 248 . 17 1 1 A 20 20 SER N N 23 114.700 114.798 -0.098 1
1 249 . 17 1 1 A 20 20 SER H H 23 8.630 8.751 -0.121 1
1 250 . 17 1 1 A 20 20 SER CA C 23 57.400 55.995 1.405 1
1 251 . 17 1 1 A 20 20 SER HA H 23 4.780 5.041 -0.261 1
1 252 . 17 1 1 A 20 20 SER CB C 23 65.900 65.618 0.282 1
1 255 . 17 1 1 A 20 20 SER C C 23 174.100 175.590 -1.490 1
1 256 . 17 1 1 A 21 21 GLY N N 24 109.400 113.201 -3.801 1
1 257 . 17 1 1 A 21 21 GLY H H 24 8.340 8.743 -0.403 1
1 258 . 17 1 1 A 21 21 GLY CA C 24 45.100 47.642 -2.542 1
1 259 . 17 1 1 A 21 21 GLY HA2 H 24 4.470 3.867 0.603 1
1 260 . 17 1 1 A 21 21 GLY HA3 H 24 3.790 3.869 -0.079 1
1 261 . 17 1 1 A 21 21 GLY C C 24 172.600 173.992 -1.392 1
1 262 . 17 1 1 A 22 22 ALA N N 25 122.500 121.252 1.248 1
1 263 . 17 1 1 A 22 22 ALA H H 25 7.790 7.785 0.005 1
1 264 . 17 1 1 A 22 22 ALA CA C 25 49.900 49.913 -0.013 1
1 265 . 17 1 1 A 22 22 ALA HA H 25 4.780 4.879 -0.099 1
1 269 . 17 1 1 A 22 22 ALA CB C 25 20.600 21.373 -0.773 1
1 271 . 17 1 1 A 23 23 PRO CA C 26 63.700 63.096 0.604 1
1 272 . 17 1 1 A 23 23 PRO HA H 26 4.400 4.473 -0.073 1
1 273 . 17 1 1 A 23 23 PRO CB C 26 31.900 31.909 -0.009 1
1 281 . 17 1 1 A 23 23 PRO C C 26 176.500 175.848 0.652 1
1 282 . 17 1 1 A 24 24 ARG N N 27 120.200 122.680 -2.480 1
1 283 . 17 1 1 A 24 24 ARG H H 27 7.810 8.353 -0.543 1
1 284 . 17 1 1 A 24 24 ARG CA C 27 53.800 54.119 -0.319 1
1 285 . 17 1 1 A 24 24 ARG HA H 27 4.680 4.670 0.010 1
1 286 . 17 1 1 A 24 24 ARG CB C 27 35.600 34.213 1.387 1
1 295 . 17 1 1 A 24 24 ARG C C 27 174.300 174.528 -0.228 1
1 296 . 17 1 1 A 25 25 ARG N N 28 119.300 121.638 -2.338 1
1 297 . 17 1 1 A 25 25 ARG H H 28 8.900 8.935 -0.035 1
1 298 . 17 1 1 A 25 25 ARG CA C 28 54.200 56.039 -1.839 1
1 299 . 17 1 1 A 25 25 ARG HA H 28 4.870 4.241 0.629 1
1 300 . 17 1 1 A 25 25 ARG CB C 28 32.200 31.672 0.528 1
1 309 . 17 1 1 A 25 25 ARG C C 28 178.300 177.407 0.893 1
1 310 . 17 1 1 A 26 26 ILE N N 29 123.500 124.883 -1.383 1
1 311 . 17 1 1 A 26 26 ILE H H 29 8.630 9.274 -0.644 1
1 312 . 17 1 1 A 26 26 ILE CA C 29 65.200 65.343 -0.143 1
1 313 . 17 1 1 A 26 26 ILE HA H 29 3.410 3.563 -0.153 1
1 314 . 17 1 1 A 26 26 ILE CB C 29 36.500 37.597 -1.097 1
1 327 . 17 1 1 A 26 26 ILE C C 29 178.600 178.024 0.576 1
1 328 . 17 1 1 A 27 27 LYS N N 30 115.100 120.134 -5.034 1
1 329 . 17 1 1 A 27 27 LYS H H 30 8.900 7.515 1.385 1
1 330 . 17 1 1 A 27 27 LYS CA C 30 59.300 58.967 0.333 1
1 331 . 17 1 1 A 27 27 LYS HA H 30 3.900 3.952 -0.052 1
1 332 . 17 1 1 A 27 27 LYS CB C 30 31.700 31.659 0.041 1
1 344 . 17 1 1 A 27 27 LYS C C 30 178.000 178.750 -0.750 1
1 345 . 17 1 1 A 28 28 ASP N N 31 119.700 118.946 0.754 1
1 346 . 17 1 1 A 28 28 ASP H H 31 7.180 7.870 -0.690 1
1 347 . 17 1 1 A 28 28 ASP CA C 31 56.900 57.096 -0.196 1
1 348 . 17 1 1 A 28 28 ASP HA H 31 4.480 4.418 0.062 1
1 349 . 17 1 1 A 28 28 ASP CB C 31 41.300 40.632 0.668 1
1 352 . 17 1 1 A 28 28 ASP C C 31 178.600 178.815 -0.215 1
1 353 . 17 1 1 A 29 29 VAL N N 32 122.100 119.571 2.529 1
1 354 . 17 1 1 A 29 29 VAL H H 32 7.410 7.781 -0.371 1
1 355 . 17 1 1 A 29 29 VAL CA C 32 65.900 66.439 -0.539 1
1 356 . 17 1 1 A 29 29 VAL HA H 32 3.730 3.607 0.123 1
1 357 . 17 1 1 A 29 29 VAL CB C 32 32.000 31.664 0.336 1
1 367 . 17 1 1 A 29 29 VAL C C 32 177.600 178.459 -0.859 1
1 368 . 17 1 1 A 30 30 LEU N N 33 118.000 120.886 -2.886 1
1 369 . 17 1 1 A 30 30 LEU H H 33 8.380 8.347 0.033 1
1 370 . 17 1 1 A 30 30 LEU CA C 33 58.500 57.750 0.750 1
1 371 . 17 1 1 A 30 30 LEU HA H 33 3.910 4.038 -0.128 1
1 372 . 17 1 1 A 30 30 LEU CB C 33 39.200 41.635 -2.435 1
1 385 . 17 1 1 A 30 30 LEU C C 33 179.200 178.867 0.333 1
1 386 . 17 1 1 A 31 31 GLY N N 34 104.500 107.018 -2.518 1
1 387 . 17 1 1 A 31 31 GLY H H 34 7.730 8.357 -0.627 1
1 388 . 17 1 1 A 31 31 GLY CA C 34 47.100 47.419 -0.319 1
1 389 . 17 1 1 A 31 31 GLY HA2 H 34 3.940 3.725 0.215 1
1 390 . 17 1 1 A 31 31 GLY HA3 H 34 3.940 3.727 0.213 1
1 391 . 17 1 1 A 31 31 GLY C C 34 177.500 175.766 1.734 1
1 392 . 17 1 1 A 32 32 GLU N N 35 124.300 121.684 2.616 1
1 393 . 17 1 1 A 32 32 GLU H H 35 7.750 7.730 0.020 1
1 394 . 17 1 1 A 32 32 GLU CA C 35 59.100 59.357 -0.257 1
1 395 . 17 1 1 A 32 32 GLU HA H 35 4.130 4.007 0.123 1
1 396 . 17 1 1 A 32 32 GLU CB C 35 29.800 29.543 0.257 1
1 402 . 17 1 1 A 32 32 GLU C C 35 178.300 178.799 -0.499 1
1 403 . 17 1 1 A 33 33 LEU N N 36 117.300 118.309 -1.009 1
1 404 . 17 1 1 A 33 33 LEU H H 36 7.750 7.543 0.207 1
1 405 . 17 1 1 A 33 33 LEU CA C 36 55.000 55.241 -0.241 1
1 406 . 17 1 1 A 33 33 LEU HA H 36 4.270 4.203 0.067 1
1 407 . 17 1 1 A 33 33 LEU CB C 36 42.100 41.857 0.243 1
1 420 . 17 1 1 A 33 33 LEU C C 36 175.200 176.487 -1.287 1
1 421 . 17 1 1 A 34 34 GLU N N 37 115.500 118.873 -3.373 1
1 422 . 17 1 1 A 34 34 GLU H H 37 7.780 7.818 -0.038 1
1 423 . 17 1 1 A 34 34 GLU CA C 37 57.200 57.283 -0.083 1
1 424 . 17 1 1 A 34 34 GLU HA H 37 3.830 3.995 -0.165 1
1 425 . 17 1 1 A 34 34 GLU CB C 37 26.700 28.168 -1.468 1
1 431 . 17 1 1 A 34 34 GLU C C 37 175.300 175.062 0.238 1
1 432 . 17 1 1 A 35 35 ILE N N 38 121.300 119.710 1.590 1
1 433 . 17 1 1 A 35 35 ILE H H 38 8.010 7.414 0.596 1
1 434 . 17 1 1 A 35 35 ILE CA C 38 58.300 57.661 0.639 1
1 435 . 17 1 1 A 35 35 ILE HA H 38 4.410 4.615 -0.205 1
1 436 . 17 1 1 A 35 35 ILE CB C 38 40.300 41.610 -1.310 1
1 450 . 17 1 1 A 36 36 PRO CA C 39 62.400 62.346 0.054 1
1 451 . 17 1 1 A 36 36 PRO HA H 39 4.470 4.631 -0.161 1
1 452 . 17 1 1 A 36 36 PRO CB C 39 31.600 30.047 1.553 1
1 460 . 17 1 1 A 36 36 PRO C C 39 179.200 177.409 1.791 1
1 461 . 17 1 1 A 37 37 ILE N N 40 127.500 125.939 1.561 1
1 462 . 17 1 1 A 37 37 ILE H H 40 8.350 8.576 -0.226 1
1 463 . 17 1 1 A 37 37 ILE CA C 40 63.700 62.877 0.823 1
1 464 . 17 1 1 A 37 37 ILE HA H 40 3.750 4.180 -0.430 1
1 465 . 17 1 1 A 37 37 ILE CB C 40 38.600 37.922 0.678 1
1 478 . 17 1 1 A 37 37 ILE C C 40 176.100 177.341 -1.241 1
1 479 . 17 1 1 A 38 38 GLU N N 41 118.500 122.117 -3.617 1
1 480 . 17 1 1 A 38 38 GLU H H 41 9.370 7.925 1.445 1
1 481 . 17 1 1 A 38 38 GLU CA C 41 58.400 58.948 -0.548 1
1 482 . 17 1 1 A 38 38 GLU HA H 41 4.330 4.067 0.263 1
1 483 . 17 1 1 A 38 38 GLU CB C 41 28.500 29.764 -1.264 1
1 489 . 17 1 1 A 38 38 GLU C C 41 177.600 178.058 -0.458 1
1 490 . 17 1 1 A 39 39 THR N N 42 107.400 113.478 -6.078 1
1 491 . 17 1 1 A 39 39 THR H H 42 7.810 7.651 0.159 1
1 492 . 17 1 1 A 39 39 THR CA C 42 61.600 63.422 -1.822 1
1 493 . 17 1 1 A 39 39 THR HA H 42 4.520 4.387 0.133 1
1 494 . 17 1 1 A 39 39 THR CB C 42 70.300 69.522 0.778 1
1 500 . 17 1 1 A 39 39 THR C C 42 174.000 174.189 -0.189 1
1 501 . 17 1 1 A 40 40 VAL N N 43 112.000 118.075 -6.075 1
1 502 . 17 1 1 A 40 40 VAL H H 43 7.230 7.259 -0.029 1
1 503 . 17 1 1 A 40 40 VAL CA C 43 59.100 59.417 -0.317 1
1 504 . 17 1 1 A 40 40 VAL HA H 43 5.420 4.825 0.595 1
1 505 . 17 1 1 A 40 40 VAL CB C 43 36.400 34.701 1.699 1
1 515 . 17 1 1 A 40 40 VAL C C 43 175.200 174.499 0.701 1
1 516 . 17 1 1 A 41 41 VAL N N 44 120.400 122.400 -2.000 1
1 517 . 17 1 1 A 41 41 VAL H H 44 9.080 8.842 0.238 1
1 518 . 17 1 1 A 41 41 VAL CA C 44 61.500 61.875 -0.375 1
1 519 . 17 1 1 A 41 41 VAL HA H 44 4.230 4.463 -0.233 1
1 520 . 17 1 1 A 41 41 VAL CB C 44 34.600 32.460 2.140 1
1 530 . 17 1 1 A 41 41 VAL C C 44 174.000 175.338 -1.338 1
1 531 . 17 1 1 A 42 42 VAL N N 45 123.400 128.964 -5.564 1
1 532 . 17 1 1 A 42 42 VAL H H 45 8.820 9.116 -0.296 1
1 533 . 17 1 1 A 42 42 VAL CA C 45 60.000 61.292 -1.292 1
1 534 . 17 1 1 A 42 42 VAL HA H 45 5.120 4.689 0.431 1
1 535 . 17 1 1 A 42 42 VAL CB C 45 34.300 32.919 1.381 1
1 545 . 17 1 1 A 42 42 VAL C C 45 174.700 174.954 -0.254 1
1 546 . 17 1 1 A 43 43 LYS N N 46 121.700 127.032 -5.332 1
1 547 . 17 1 1 A 43 43 LYS H H 46 8.920 9.195 -0.275 1
1 548 . 17 1 1 A 43 43 LYS CA C 46 53.800 54.966 -1.166 1
1 549 . 17 1 1 A 43 43 LYS HA H 46 5.180 5.096 0.084 1
1 550 . 17 1 1 A 43 43 LYS CB C 46 36.900 34.462 2.438 1
1 562 . 17 1 1 A 43 43 LYS C C 46 175.600 174.605 0.995 1
1 563 . 17 1 1 A 44 44 LYS N N 47 122.300 126.281 -3.981 1
1 564 . 17 1 1 A 44 44 LYS H H 47 9.240 8.943 0.297 1
1 565 . 17 1 1 A 44 44 LYS CA C 47 54.400 55.632 -1.232 1
1 566 . 17 1 1 A 44 44 LYS HA H 47 5.190 4.549 0.641 1
1 567 . 17 1 1 A 44 44 LYS CB C 47 36.100 33.559 2.541 1
1 578 . 17 1 1 A 44 44 LYS C C 47 176.000 176.540 -0.540 1
1 579 . 17 1 1 A 45 45 ASN N N 48 129.600 125.137 4.463 1
1 580 . 17 1 1 A 45 45 ASN H H 48 9.980 9.799 0.181 1
1 581 . 17 1 1 A 45 45 ASN CA C 48 54.300 54.138 0.162 1
1 582 . 17 1 1 A 45 45 ASN HA H 48 4.490 4.394 0.096 1
1 583 . 17 1 1 A 45 45 ASN CB C 48 37.200 37.409 -0.209 1
1 589 . 17 1 1 A 45 45 ASN C C 48 175.800 174.495 1.305 1
1 590 . 17 1 1 A 46 46 GLY N N 49 103.200 105.095 -1.895 1
1 591 . 17 1 1 A 46 46 GLY H H 49 9.340 8.340 1.000 1
1 592 . 17 1 1 A 46 46 GLY CA C 49 45.200 45.112 0.088 1
1 593 . 17 1 1 A 46 46 GLY HA2 H 49 4.300 4.058 0.242 1
1 594 . 17 1 1 A 46 46 GLY HA3 H 49 3.650 4.059 -0.409 1
1 595 . 17 1 1 A 46 46 GLY C C 49 173.600 174.426 -0.826 1
1 596 . 17 1 1 A 47 47 GLN N N 50 119.700 119.989 -0.289 1
1 597 . 17 1 1 A 47 47 GLN H H 50 7.690 7.612 0.078 1
1 598 . 17 1 1 A 47 47 GLN CA C 50 53.500 55.615 -2.115 1
1 599 . 17 1 1 A 47 47 GLN HA H 50 4.770 4.467 0.303 1
1 600 . 17 1 1 A 47 47 GLN CB C 50 31.300 29.733 1.567 1
1 606 . 17 1 1 A 47 47 GLN C C 50 175.000 175.768 -0.768 1
1 607 . 17 1 1 A 48 48 ILE N N 51 125.800 123.468 2.332 1
1 608 . 17 1 1 A 48 48 ILE H H 51 8.790 8.382 0.408 1
1 609 . 17 1 1 A 48 48 ILE CA C 51 63.000 61.997 1.003 1
1 610 . 17 1 1 A 48 48 ILE HA H 51 4.380 4.370 0.010 1
1 611 . 17 1 1 A 48 48 ILE CB C 51 37.400 37.060 0.340 1
1 624 . 17 1 1 A 48 48 ILE C C 51 176.500 176.011 0.489 1
1 625 . 17 1 1 A 49 49 VAL N N 52 121.900 121.675 0.225 1
1 626 . 17 1 1 A 49 49 VAL H H 52 8.290 8.732 -0.442 1
1 627 . 17 1 1 A 49 49 VAL CA C 52 58.900 59.273 -0.373 1
1 628 . 17 1 1 A 49 49 VAL HA H 52 4.860 4.941 -0.081 1
1 629 . 17 1 1 A 49 49 VAL CB C 52 35.700 35.378 0.322 1
1 639 . 17 1 1 A 50 50 ILE N N 53 114.600 118.128 -3.528 1
1 640 . 17 1 1 A 50 50 ILE H H 53 8.020 8.398 -0.378 1
1 641 . 17 1 1 A 50 50 ILE CA C 53 60.500 59.594 0.906 1
1 642 . 17 1 1 A 50 50 ILE HA H 53 4.610 4.425 0.185 1
1 643 . 17 1 1 A 50 50 ILE CB C 53 39.500 40.050 -0.550 1
1 656 . 17 1 1 A 50 50 ILE C C 53 177.000 177.161 -0.161 1
1 657 . 17 1 1 A 51 51 ASP N N 54 118.300 121.605 -3.305 1
1 658 . 17 1 1 A 51 51 ASP H H 54 8.390 8.923 -0.533 1
1 659 . 17 1 1 A 51 51 ASP CA C 54 56.300 55.828 0.472 1
1 660 . 17 1 1 A 51 51 ASP HA H 54 4.010 4.443 -0.433 1
1 661 . 17 1 1 A 51 51 ASP CB C 54 40.200 39.948 0.252 1
1 664 . 17 1 1 A 51 51 ASP C C 54 176.300 176.932 -0.632 1
1 665 . 17 1 1 A 52 52 GLU N N 55 116.900 118.044 -1.144 1
1 666 . 17 1 1 A 52 52 GLU H H 55 7.100 8.066 -0.966 1
1 667 . 17 1 1 A 52 52 GLU CA C 55 56.000 58.059 -2.059 1
1 668 . 17 1 1 A 52 52 GLU HA H 55 4.200 4.444 -0.244 1
1 669 . 17 1 1 A 52 52 GLU CB C 55 30.000 29.627 0.373 1
1 675 . 17 1 1 A 52 52 GLU C C 55 175.700 177.430 -1.730 1
1 676 . 17 1 1 A 53 53 GLU N N 56 120.300 118.989 1.311 1
1 677 . 17 1 1 A 53 53 GLU H H 56 7.570 7.713 -0.143 1
1 678 . 17 1 1 A 53 53 GLU CA C 56 57.400 56.948 0.452 1
1 679 . 17 1 1 A 53 53 GLU HA H 56 4.090 4.387 -0.297 1
1 680 . 17 1 1 A 53 53 GLU CB C 56 30.300 30.312 -0.012 1
1 686 . 17 1 1 A 53 53 GLU C C 56 175.400 176.112 -0.712 1
1 687 . 17 1 1 A 54 54 GLU N N 57 123.400 121.044 2.356 1
1 688 . 17 1 1 A 54 54 GLU H H 57 8.430 8.651 -0.221 1
1 689 . 17 1 1 A 54 54 GLU CA C 57 56.500 54.681 1.819 1
1 690 . 17 1 1 A 54 54 GLU HA H 57 4.320 4.698 -0.378 1
1 691 . 17 1 1 A 54 54 GLU CB C 57 32.200 31.669 0.531 1
1 697 . 17 1 1 A 54 54 GLU C C 57 174.300 174.957 -0.657 1
1 698 . 17 1 1 A 55 55 ILE N N 58 122.000 121.947 0.053 1
1 699 . 17 1 1 A 55 55 ILE H H 58 7.850 8.554 -0.704 1
1 700 . 17 1 1 A 55 55 ILE CA C 58 60.400 59.788 0.612 1
1 701 . 17 1 1 A 55 55 ILE HA H 58 3.770 4.611 -0.841 1
1 702 . 17 1 1 A 55 55 ILE CB C 58 40.100 39.331 0.769 1
1 715 . 17 1 1 A 55 55 ILE C C 58 172.900 174.587 -1.687 1
1 716 . 17 1 1 A 56 56 PHE N N 59 124.500 125.111 -0.611 1
1 717 . 17 1 1 A 56 56 PHE H H 59 8.970 8.958 0.012 1
1 718 . 17 1 1 A 56 56 PHE CA C 59 55.900 56.624 -0.724 1
1 719 . 17 1 1 A 56 56 PHE HA H 59 4.820 5.020 -0.200 1
1 720 . 17 1 1 A 56 56 PHE CB C 59 41.900 43.597 -1.697 1
1 727 . 17 1 1 A 56 56 PHE C C 59 175.100 174.527 0.573 1
1 728 . 17 1 1 A 57 57 ASP N N 60 117.300 122.426 -5.126 1
1 729 . 17 1 1 A 57 57 ASP H H 60 8.320 8.830 -0.510 1
1 730 . 17 1 1 A 57 57 ASP CA C 60 56.400 55.908 0.492 1
1 731 . 17 1 1 A 57 57 ASP HA H 60 4.630 4.428 0.202 1
1 732 . 17 1 1 A 57 57 ASP CB C 60 42.700 40.421 2.279 1
1 735 . 17 1 1 A 57 57 ASP C C 60 177.900 177.071 0.829 1
1 736 . 17 1 1 A 58 58 GLY N N 61 114.600 113.879 0.721 1
1 737 . 17 1 1 A 58 58 GLY H H 61 9.700 9.449 0.251 1
1 738 . 17 1 1 A 58 58 GLY CA C 61 45.100 45.555 -0.455 1
1 739 . 17 1 1 A 58 58 GLY HA2 H 61 4.420 3.935 0.485 1
1 740 . 17 1 1 A 58 58 GLY HA3 H 61 3.770 3.941 -0.171 1
1 741 . 17 1 1 A 58 58 GLY C C 61 174.900 173.550 1.350 1
1 742 . 17 1 1 A 59 59 ASP N N 62 122.200 121.086 1.114 1
1 743 . 17 1 1 A 59 59 ASP H H 62 8.350 7.738 0.612 1
1 744 . 17 1 1 A 59 59 ASP CA C 62 55.900 53.295 2.605 1
1 745 . 17 1 1 A 59 59 ASP HA H 62 4.940 5.028 -0.088 1
1 746 . 17 1 1 A 59 59 ASP CB C 62 42.500 42.636 -0.136 1
1 749 . 17 1 1 A 59 59 ASP C C 62 176.000 175.358 0.642 1
1 750 . 17 1 1 A 60 60 ILE N N 63 119.100 123.062 -3.962 1
1 751 . 17 1 1 A 60 60 ILE H H 63 8.400 8.665 -0.265 1
1 752 . 17 1 1 A 60 60 ILE CA C 63 60.700 60.002 0.698 1
1 753 . 17 1 1 A 60 60 ILE HA H 63 4.690 5.010 -0.320 1
1 754 . 17 1 1 A 60 60 ILE CB C 63 39.700 40.717 -1.017 1
1 767 . 17 1 1 A 60 60 ILE C C 63 175.400 174.861 0.539 1
1 768 . 17 1 1 A 61 61 ILE N N 64 130.300 127.310 2.990 1
1 769 . 17 1 1 A 61 61 ILE H H 64 9.550 9.644 -0.094 1
1 770 . 17 1 1 A 61 61 ILE CA C 64 58.300 60.452 -2.152 1
1 771 . 17 1 1 A 61 61 ILE HA H 64 5.230 4.784 0.446 1
1 772 . 17 1 1 A 61 61 ILE CB C 64 38.700 40.234 -1.534 1
1 785 . 17 1 1 A 61 61 ILE C C 64 174.400 174.840 -0.440 1
1 786 . 17 1 1 A 62 62 GLU N N 65 126.800 127.727 -0.927 1
1 787 . 17 1 1 A 62 62 GLU H H 65 9.340 9.503 -0.163 1
1 788 . 17 1 1 A 62 62 GLU CA C 65 54.500 55.376 -0.876 1
1 789 . 17 1 1 A 62 62 GLU HA H 65 5.080 4.907 0.173 1
1 790 . 17 1 1 A 62 62 GLU CB C 65 33.300 31.091 2.209 1
1 796 . 17 1 1 A 62 62 GLU C C 65 174.300 175.658 -1.358 1
1 797 . 17 1 1 A 63 63 VAL N N 66 124.300 126.119 -1.819 1
1 798 . 17 1 1 A 63 63 VAL H H 66 8.710 8.724 -0.014 1
1 799 . 17 1 1 A 63 63 VAL CA C 66 61.900 61.769 0.131 1
1 800 . 17 1 1 A 63 63 VAL HA H 66 4.420 4.737 -0.317 1
1 801 . 17 1 1 A 63 63 VAL CB C 66 32.600 32.742 -0.142 1
1 811 . 17 1 1 A 63 63 VAL C C 66 175.300 174.733 0.567 1
1 812 . 17 1 1 A 64 64 ILE N N 67 131.200 128.998 2.202 1
1 813 . 17 1 1 A 64 64 ILE H H 67 9.180 9.352 -0.172 1
1 814 . 17 1 1 A 64 64 ILE CA C 67 60.200 60.468 -0.268 1
1 815 . 17 1 1 A 64 64 ILE HA H 67 4.360 4.738 -0.378 1
1 816 . 17 1 1 A 64 64 ILE CB C 67 40.400 39.550 0.850 1
1 829 . 17 1 1 A 64 64 ILE C C 67 175.300 176.183 -0.883 1
1 830 . 17 1 1 A 65 65 ARG N N 68 126.900 127.754 -0.854 1
1 831 . 17 1 1 A 65 65 ARG H H 68 9.020 8.546 0.474 1
1 832 . 17 1 1 A 65 65 ARG CA C 68 57.200 56.137 1.063 1
1 833 . 17 1 1 A 65 65 ARG HA H 68 4.480 4.195 0.285 1
1 834 . 17 1 1 A 65 65 ARG CB C 68 30.500 30.336 0.164 1
1 843 . 17 1 1 A 65 65 ARG C C 68 176.800 175.574 1.226 1
1 844 . 17 1 1 A 66 66 VAL N N 69 122.300 122.846 -0.546 1
1 845 . 17 1 1 A 66 66 VAL H H 69 8.280 8.329 -0.049 1
1 846 . 17 1 1 A 66 66 VAL CA C 69 62.200 62.236 -0.036 1
1 847 . 17 1 1 A 66 66 VAL HA H 69 4.100 4.252 -0.152 1
1 848 . 17 1 1 A 66 66 VAL CB C 69 32.800 32.990 -0.190 1
1 858 . 17 1 1 A 66 66 VAL C C 69 175.500 175.655 -0.155 1
1 859 . 17 1 1 A 67 67 ILE N N 70 124.000 128.023 -4.023 1
1 860 . 17 1 1 A 67 67 ILE H H 70 7.930 8.428 -0.498 1
1 861 . 17 1 1 A 67 67 ILE CA C 70 60.300 60.758 -0.458 1
1 862 . 17 1 1 A 67 67 ILE HA H 70 4.210 4.556 -0.346 1
1 863 . 17 1 1 A 67 67 ILE CB C 70 38.900 38.821 0.079 1
1 876 . 17 1 1 A 67 67 ILE C C 70 175.500 174.299 1.201 1
1 877 . 17 1 1 A 68 68 TYR N N 71 126.200 130.961 -4.761 1
1 878 . 17 1 1 A 68 68 TYR H H 71 8.450 8.848 -0.398 1
1 879 . 17 1 1 A 68 68 TYR CA C 71 57.900 56.042 1.858 1
1 880 . 17 1 1 A 68 68 TYR HA H 71 4.590 5.394 -0.804 1
1 881 . 17 1 1 A 68 68 TYR CB C 71 39.000 41.702 -2.702 1
1 886 . 17 1 1 A 68 68 TYR C C 71 176.200 174.441 1.759 1
1 887 . 17 1 1 A 69 69 GLY N N 72 112.000 112.484 -0.484 1
1 888 . 17 1 1 A 69 69 GLY H H 72 8.370 8.238 0.132 1
1 889 . 17 1 1 A 69 69 GLY CA C 72 45.300 45.289 0.011 1
1 890 . 17 1 1 A 69 69 GLY HA2 H 72 3.910 3.844 0.066 1
1 891 . 17 1 1 A 69 69 GLY HA3 H 72 3.910 4.018 -0.108 1
1 892 . 17 1 1 A 69 69 GLY C C 72 173.500 173.800 -0.300 1
1 10 . 18 1 1 A 2 2 VAL N N 5 122.400 123.300 -0.900 1
1 11 . 18 1 1 A 2 2 VAL H H 5 8.290 8.899 -0.609 1
1 12 . 18 1 1 A 2 2 VAL CA C 5 62.400 62.254 0.146 1
1 13 . 18 1 1 A 2 2 VAL HA H 5 4.120 4.419 -0.299 1
1 14 . 18 1 1 A 2 2 VAL CB C 5 32.600 32.146 0.454 1
1 24 . 18 1 1 A 2 2 VAL C C 5 175.700 174.651 1.049 1
1 25 . 18 1 1 A 3 3 ILE N N 6 125.000 128.880 -3.880 1
1 26 . 18 1 1 A 3 3 ILE H H 6 8.240 8.742 -0.502 1
1 27 . 18 1 1 A 3 3 ILE CA C 6 60.900 59.497 1.403 1
1 28 . 18 1 1 A 3 3 ILE HA H 6 4.210 4.706 -0.496 1
1 29 . 18 1 1 A 3 3 ILE CB C 6 38.700 39.794 -1.094 1
1 42 . 18 1 1 A 3 3 ILE C C 6 176.000 175.483 0.517 1
1 43 . 18 1 1 A 4 4 GLY N N 7 112.900 115.839 -2.939 1
1 44 . 18 1 1 A 4 4 GLY H H 7 8.330 8.341 -0.011 1
1 45 . 18 1 1 A 4 4 GLY CA C 7 45.300 44.010 1.290 1
1 46 . 18 1 1 A 4 4 GLY HA2 H 7 4.140 4.132 0.008 1
1 47 . 18 1 1 A 4 4 GLY HA3 H 7 4.020 4.132 -0.112 1
1 48 . 18 1 1 A 4 4 GLY C C 7 172.800 172.194 0.606 1
1 49 . 18 1 1 A 5 5 MET N N 8 118.400 116.277 2.123 1
1 50 . 18 1 1 A 5 5 MET H H 8 8.540 8.616 -0.076 1
1 51 . 18 1 1 A 5 5 MET CA C 8 54.800 54.487 0.313 1
1 52 . 18 1 1 A 5 5 MET HA H 8 4.820 5.267 -0.447 1
1 53 . 18 1 1 A 5 5 MET CB C 8 35.500 36.018 -0.518 1
1 63 . 18 1 1 A 5 5 MET C C 8 174.100 173.665 0.435 1
1 64 . 18 1 1 A 6 6 LYS N N 9 122.000 124.164 -2.164 1
1 65 . 18 1 1 A 6 6 LYS H H 9 9.150 9.475 -0.325 1
1 66 . 18 1 1 A 6 6 LYS CA C 9 55.100 54.806 0.294 1
1 67 . 18 1 1 A 6 6 LYS HA H 9 5.430 5.021 0.409 1
1 68 . 18 1 1 A 6 6 LYS CB C 9 36.100 34.357 1.743 1
1 80 . 18 1 1 A 6 6 LYS C C 9 174.500 175.441 -0.941 1
1 81 . 18 1 1 A 7 7 PHE N N 10 119.300 122.816 -3.516 1
1 82 . 18 1 1 A 7 7 PHE H H 10 8.670 8.434 0.236 1
1 83 . 18 1 1 A 7 7 PHE CA C 10 55.700 55.686 0.014 1
1 84 . 18 1 1 A 7 7 PHE HA H 10 5.190 5.495 -0.305 1
1 85 . 18 1 1 A 7 7 PHE CB C 10 40.100 42.243 -2.143 1
1 92 . 18 1 1 A 7 7 PHE C C 10 172.400 172.516 -0.116 1
1 93 . 18 1 1 A 8 8 THR N N 11 116.500 115.409 1.091 1
1 94 . 18 1 1 A 8 8 THR H H 11 8.440 8.560 -0.120 1
1 95 . 18 1 1 A 8 8 THR CA C 11 62.200 59.857 2.343 1
1 96 . 18 1 1 A 8 8 THR HA H 11 5.070 5.168 -0.098 1
1 97 . 18 1 1 A 8 8 THR CB C 11 70.800 72.003 -1.203 1
1 103 . 18 1 1 A 8 8 THR C C 11 173.300 172.372 0.928 1
1 104 . 18 1 1 A 9 9 VAL N N 12 126.200 125.053 1.147 1
1 105 . 18 1 1 A 9 9 VAL H H 12 9.400 9.385 0.015 1
1 106 . 18 1 1 A 9 9 VAL CA C 12 60.700 59.858 0.842 1
1 107 . 18 1 1 A 9 9 VAL HA H 12 5.090 5.442 -0.352 1
1 108 . 18 1 1 A 9 9 VAL CB C 12 34.100 34.545 -0.445 1
1 118 . 18 1 1 A 9 9 VAL C C 12 174.500 173.203 1.297 1
1 119 . 18 1 1 A 10 10 ILE N N 13 129.600 130.091 -0.491 1
1 120 . 18 1 1 A 10 10 ILE H H 13 9.560 9.160 0.400 1
1 121 . 18 1 1 A 10 10 ILE CA C 13 61.400 59.710 1.690 1
1 122 . 18 1 1 A 10 10 ILE HA H 13 4.640 5.193 -0.553 1
1 123 . 18 1 1 A 10 10 ILE CB C 13 39.700 40.218 -0.518 1
1 136 . 18 1 1 A 10 10 ILE C C 13 175.200 174.427 0.773 1
1 137 . 18 1 1 A 11 11 THR N N 14 116.800 123.138 -6.338 1
1 138 . 18 1 1 A 11 11 THR H H 14 8.430 8.893 -0.463 1
1 139 . 18 1 1 A 11 11 THR CA C 14 59.200 60.916 -1.716 1
1 140 . 18 1 1 A 11 11 THR HA H 14 5.160 4.840 0.320 1
1 141 . 18 1 1 A 11 11 THR CB C 14 71.900 72.528 -0.628 1
1 147 . 18 1 1 A 11 11 THR C C 14 175.800 174.318 1.482 1
1 148 . 18 1 1 A 12 12 ASP N N 15 120.000 122.550 -2.550 1
1 149 . 18 1 1 A 12 12 ASP H H 15 9.010 8.923 0.087 1
1 150 . 18 1 1 A 12 12 ASP CA C 15 56.900 57.454 -0.554 1
1 151 . 18 1 1 A 12 12 ASP HA H 15 4.440 4.336 0.104 1
1 152 . 18 1 1 A 12 12 ASP CB C 15 40.900 40.440 0.460 1
1 155 . 18 1 1 A 12 12 ASP C C 15 176.600 177.795 -1.195 1
1 156 . 18 1 1 A 13 13 ASP N N 16 115.300 116.697 -1.397 1
1 157 . 18 1 1 A 13 13 ASP H H 16 8.090 8.024 0.066 1
1 158 . 18 1 1 A 13 13 ASP CA C 16 53.400 54.240 -0.840 1
1 159 . 18 1 1 A 13 13 ASP HA H 16 4.730 4.588 0.142 1
1 160 . 18 1 1 A 13 13 ASP CB C 16 41.800 41.133 0.667 1
1 163 . 18 1 1 A 13 13 ASP C C 16 175.700 176.526 -0.826 1
1 164 . 18 1 1 A 14 14 GLY N N 17 108.000 106.520 1.480 1
1 165 . 18 1 1 A 14 14 GLY H H 17 7.610 7.932 -0.322 1
1 166 . 18 1 1 A 14 14 GLY CA C 17 44.900 43.974 0.926 1
1 167 . 18 1 1 A 14 14 GLY HA2 H 17 4.450 4.047 0.403 1
1 168 . 18 1 1 A 14 14 GLY HA3 H 17 3.860 4.050 -0.190 1
1 169 . 18 1 1 A 14 14 GLY C C 17 171.800 172.868 -1.068 1
1 170 . 18 1 1 A 15 15 LYS N N 18 120.600 121.399 -0.799 1
1 171 . 18 1 1 A 15 15 LYS H H 18 8.430 8.377 0.053 1
1 172 . 18 1 1 A 15 15 LYS CA C 18 55.400 55.507 -0.107 1
1 173 . 18 1 1 A 15 15 LYS HA H 18 5.080 4.584 0.496 1
1 174 . 18 1 1 A 15 15 LYS CB C 18 34.600 33.686 0.914 1
1 186 . 18 1 1 A 15 15 LYS C C 18 175.600 175.030 0.570 1
1 187 . 18 1 1 A 16 16 LYS N N 19 125.700 127.911 -2.211 1
1 188 . 18 1 1 A 16 16 LYS H H 19 9.160 9.332 -0.172 1
1 189 . 18 1 1 A 16 16 LYS CA C 19 55.000 54.535 0.465 1
1 190 . 18 1 1 A 16 16 LYS HA H 19 4.620 4.993 -0.373 1
1 191 . 18 1 1 A 16 16 LYS CB C 19 36.100 34.495 1.605 1
1 201 . 18 1 1 A 16 16 LYS C C 19 174.000 174.208 -0.208 1
1 202 . 18 1 1 A 17 17 ILE N N 20 123.800 128.329 -4.529 1
1 203 . 18 1 1 A 17 17 ILE H H 20 8.420 8.722 -0.302 1
1 204 . 18 1 1 A 17 17 ILE CA C 20 60.400 59.849 0.551 1
1 205 . 18 1 1 A 17 17 ILE HA H 20 4.620 4.747 -0.127 1
1 206 . 18 1 1 A 17 17 ILE CB C 20 37.900 40.498 -2.598 1
1 219 . 18 1 1 A 17 17 ILE C C 20 175.700 174.998 0.702 1
1 220 . 18 1 1 A 18 18 LEU N N 21 130.500 124.513 5.987 1
1 221 . 18 1 1 A 18 18 LEU H H 21 8.600 8.790 -0.190 1
1 222 . 18 1 1 A 18 18 LEU CA C 21 53.500 52.990 0.510 1
1 223 . 18 1 1 A 18 18 LEU HA H 21 4.490 5.110 -0.620 1
1 224 . 18 1 1 A 18 18 LEU CB C 21 44.500 45.892 -1.392 1
1 236 . 18 1 1 A 18 18 LEU C C 21 174.000 174.498 -0.498 1
1 237 . 18 1 1 A 19 19 GLU N N 22 116.200 119.939 -3.739 1
1 238 . 18 1 1 A 19 19 GLU H H 22 7.940 8.872 -0.932 1
1 239 . 18 1 1 A 19 19 GLU CA C 22 53.800 54.776 -0.976 1
1 240 . 18 1 1 A 19 19 GLU HA H 22 5.280 4.985 0.295 1
1 241 . 18 1 1 A 19 19 GLU CB C 22 33.400 33.300 0.100 1
1 247 . 18 1 1 A 19 19 GLU C C 22 176.600 174.657 1.943 1
1 248 . 18 1 1 A 20 20 SER N N 23 114.700 120.333 -5.633 1
1 249 . 18 1 1 A 20 20 SER H H 23 8.630 8.621 0.009 1
1 250 . 18 1 1 A 20 20 SER CA C 23 57.400 55.990 1.410 1
1 251 . 18 1 1 A 20 20 SER HA H 23 4.780 5.074 -0.294 1
1 252 . 18 1 1 A 20 20 SER CB C 23 65.900 65.658 0.242 1
1 255 . 18 1 1 A 20 20 SER C C 23 174.100 174.947 -0.847 1
1 256 . 18 1 1 A 21 21 GLY N N 24 109.400 113.974 -4.574 1
1 257 . 18 1 1 A 21 21 GLY H H 24 8.340 8.721 -0.381 1
1 258 . 18 1 1 A 21 21 GLY CA C 24 45.100 46.559 -1.459 1
1 259 . 18 1 1 A 21 21 GLY HA2 H 24 4.470 3.860 0.610 1
1 260 . 18 1 1 A 21 21 GLY HA3 H 24 3.790 3.863 -0.073 1
1 261 . 18 1 1 A 21 21 GLY C C 24 172.600 173.887 -1.287 1
1 262 . 18 1 1 A 22 22 ALA N N 25 122.500 121.450 1.050 1
1 263 . 18 1 1 A 22 22 ALA H H 25 7.790 7.307 0.483 1
1 264 . 18 1 1 A 22 22 ALA CA C 25 49.900 49.797 0.103 1
1 265 . 18 1 1 A 22 22 ALA HA H 25 4.780 4.899 -0.119 1
1 269 . 18 1 1 A 22 22 ALA CB C 25 20.600 21.971 -1.371 1
1 271 . 18 1 1 A 23 23 PRO CA C 26 63.700 62.540 1.160 1
1 272 . 18 1 1 A 23 23 PRO HA H 26 4.400 4.807 -0.407 1
1 273 . 18 1 1 A 23 23 PRO CB C 26 31.900 31.697 0.203 1
1 281 . 18 1 1 A 23 23 PRO C C 26 176.500 176.167 0.333 1
1 282 . 18 1 1 A 24 24 ARG N N 27 120.200 122.732 -2.532 1
1 283 . 18 1 1 A 24 24 ARG H H 27 7.810 8.138 -0.328 1
1 284 . 18 1 1 A 24 24 ARG CA C 27 53.800 54.248 -0.448 1
1 285 . 18 1 1 A 24 24 ARG HA H 27 4.680 4.716 -0.036 1
1 286 . 18 1 1 A 24 24 ARG CB C 27 35.600 34.636 0.964 1
1 295 . 18 1 1 A 24 24 ARG C C 27 174.300 174.120 0.180 1
1 296 . 18 1 1 A 25 25 ARG N N 28 119.300 121.552 -2.252 1
1 297 . 18 1 1 A 25 25 ARG H H 28 8.900 9.012 -0.112 1
1 298 . 18 1 1 A 25 25 ARG CA C 28 54.200 55.181 -0.981 1
1 299 . 18 1 1 A 25 25 ARG HA H 28 4.870 4.345 0.525 1
1 300 . 18 1 1 A 25 25 ARG CB C 28 32.200 31.916 0.284 1
1 309 . 18 1 1 A 25 25 ARG C C 28 178.300 177.353 0.947 1
1 310 . 18 1 1 A 26 26 ILE N N 29 123.500 124.717 -1.217 1
1 311 . 18 1 1 A 26 26 ILE H H 29 8.630 8.987 -0.357 1
1 312 . 18 1 1 A 26 26 ILE CA C 29 65.200 65.342 -0.142 1
1 313 . 18 1 1 A 26 26 ILE HA H 29 3.410 3.605 -0.195 1
1 314 . 18 1 1 A 26 26 ILE CB C 29 36.500 37.584 -1.084 1
1 327 . 18 1 1 A 26 26 ILE C C 29 178.600 177.993 0.607 1
1 328 . 18 1 1 A 27 27 LYS N N 30 115.100 120.372 -5.272 1
1 329 . 18 1 1 A 27 27 LYS H H 30 8.900 8.079 0.821 1
1 330 . 18 1 1 A 27 27 LYS CA C 30 59.300 59.082 0.218 1
1 331 . 18 1 1 A 27 27 LYS HA H 30 3.900 3.924 -0.024 1
1 332 . 18 1 1 A 27 27 LYS CB C 30 31.700 32.092 -0.392 1
1 344 . 18 1 1 A 27 27 LYS C C 30 178.000 178.574 -0.574 1
1 345 . 18 1 1 A 28 28 ASP N N 31 119.700 119.009 0.691 1
1 346 . 18 1 1 A 28 28 ASP H H 31 7.180 7.700 -0.520 1
1 347 . 18 1 1 A 28 28 ASP CA C 31 56.900 57.086 -0.186 1
1 348 . 18 1 1 A 28 28 ASP HA H 31 4.480 4.395 0.085 1
1 349 . 18 1 1 A 28 28 ASP CB C 31 41.300 40.692 0.608 1
1 352 . 18 1 1 A 28 28 ASP C C 31 178.600 178.827 -0.227 1
1 353 . 18 1 1 A 29 29 VAL N N 32 122.100 119.632 2.468 1
1 354 . 18 1 1 A 29 29 VAL H H 32 7.410 7.741 -0.331 1
1 355 . 18 1 1 A 29 29 VAL CA C 32 65.900 66.606 -0.706 1
1 356 . 18 1 1 A 29 29 VAL HA H 32 3.730 3.595 0.135 1
1 357 . 18 1 1 A 29 29 VAL CB C 32 32.000 31.538 0.462 1
1 367 . 18 1 1 A 29 29 VAL C C 32 177.600 178.034 -0.434 1
1 368 . 18 1 1 A 30 30 LEU N N 33 118.000 120.854 -2.854 1
1 369 . 18 1 1 A 30 30 LEU H H 33 8.380 8.749 -0.369 1
1 370 . 18 1 1 A 30 30 LEU CA C 33 58.500 57.908 0.592 1
1 371 . 18 1 1 A 30 30 LEU HA H 33 3.910 3.946 -0.036 1
1 372 . 18 1 1 A 30 30 LEU CB C 33 39.200 41.936 -2.736 1
1 385 . 18 1 1 A 30 30 LEU C C 33 179.200 178.964 0.236 1
1 386 . 18 1 1 A 31 31 GLY N N 34 104.500 104.344 0.156 1
1 387 . 18 1 1 A 31 31 GLY H H 34 7.730 8.417 -0.687 1
1 388 . 18 1 1 A 31 31 GLY CA C 34 47.100 47.527 -0.427 1
1 389 . 18 1 1 A 31 31 GLY HA2 H 34 3.940 3.747 0.193 1
1 390 . 18 1 1 A 31 31 GLY HA3 H 34 3.940 3.748 0.192 1
1 391 . 18 1 1 A 31 31 GLY C C 34 177.500 175.982 1.518 1
1 392 . 18 1 1 A 32 32 GLU N N 35 124.300 122.068 2.232 1
1 393 . 18 1 1 A 32 32 GLU H H 35 7.750 7.955 -0.205 1
1 394 . 18 1 1 A 32 32 GLU CA C 35 59.100 59.278 -0.178 1
1 395 . 18 1 1 A 32 32 GLU HA H 35 4.130 4.018 0.112 1
1 396 . 18 1 1 A 32 32 GLU CB C 35 29.800 29.685 0.115 1
1 402 . 18 1 1 A 32 32 GLU C C 35 178.300 178.495 -0.195 1
1 403 . 18 1 1 A 33 33 LEU N N 36 117.300 118.378 -1.078 1
1 404 . 18 1 1 A 33 33 LEU H H 36 7.750 7.830 -0.080 1
1 405 . 18 1 1 A 33 33 LEU CA C 36 55.000 55.266 -0.266 1
1 406 . 18 1 1 A 33 33 LEU HA H 36 4.270 4.190 0.080 1
1 407 . 18 1 1 A 33 33 LEU CB C 36 42.100 41.873 0.227 1
1 420 . 18 1 1 A 33 33 LEU C C 36 175.200 176.479 -1.279 1
1 421 . 18 1 1 A 34 34 GLU N N 37 115.500 118.657 -3.157 1
1 422 . 18 1 1 A 34 34 GLU H H 37 7.780 8.005 -0.225 1
1 423 . 18 1 1 A 34 34 GLU CA C 37 57.200 57.640 -0.440 1
1 424 . 18 1 1 A 34 34 GLU HA H 37 3.830 3.960 -0.130 1
1 425 . 18 1 1 A 34 34 GLU CB C 37 26.700 28.315 -1.615 1
1 431 . 18 1 1 A 34 34 GLU C C 37 175.300 175.155 0.145 1
1 432 . 18 1 1 A 35 35 ILE N N 38 121.300 120.316 0.984 1
1 433 . 18 1 1 A 35 35 ILE H H 38 8.010 7.602 0.408 1
1 434 . 18 1 1 A 35 35 ILE CA C 38 58.300 59.559 -1.259 1
1 435 . 18 1 1 A 35 35 ILE HA H 38 4.410 4.137 0.273 1
1 436 . 18 1 1 A 35 35 ILE CB C 38 40.300 38.495 1.805 1
1 450 . 18 1 1 A 36 36 PRO CA C 39 62.400 62.775 -0.375 1
1 451 . 18 1 1 A 36 36 PRO HA H 39 4.470 4.596 -0.126 1
1 452 . 18 1 1 A 36 36 PRO CB C 39 31.600 31.306 0.294 1
1 460 . 18 1 1 A 36 36 PRO C C 39 179.200 177.509 1.691 1
1 461 . 18 1 1 A 37 37 ILE N N 40 127.500 125.927 1.573 1
1 462 . 18 1 1 A 37 37 ILE H H 40 8.350 8.762 -0.412 1
1 463 . 18 1 1 A 37 37 ILE CA C 40 63.700 63.048 0.652 1
1 464 . 18 1 1 A 37 37 ILE HA H 40 3.750 4.068 -0.318 1
1 465 . 18 1 1 A 37 37 ILE CB C 40 38.600 37.872 0.728 1
1 478 . 18 1 1 A 37 37 ILE C C 40 176.100 177.147 -1.047 1
1 479 . 18 1 1 A 38 38 GLU N N 41 118.500 121.600 -3.100 1
1 480 . 18 1 1 A 38 38 GLU H H 41 9.370 7.939 1.431 1
1 481 . 18 1 1 A 38 38 GLU CA C 41 58.400 58.944 -0.544 1
1 482 . 18 1 1 A 38 38 GLU HA H 41 4.330 4.068 0.262 1
1 483 . 18 1 1 A 38 38 GLU CB C 41 28.500 29.479 -0.979 1
1 489 . 18 1 1 A 38 38 GLU C C 41 177.600 177.592 0.008 1
1 490 . 18 1 1 A 39 39 THR N N 42 107.400 113.034 -5.634 1
1 491 . 18 1 1 A 39 39 THR H H 42 7.810 7.829 -0.019 1
1 492 . 18 1 1 A 39 39 THR CA C 42 61.600 61.312 0.288 1
1 493 . 18 1 1 A 39 39 THR HA H 42 4.520 4.580 -0.060 1
1 494 . 18 1 1 A 39 39 THR CB C 42 70.300 70.028 0.272 1
1 500 . 18 1 1 A 39 39 THR C C 42 174.000 173.834 0.166 1
1 501 . 18 1 1 A 40 40 VAL N N 43 112.000 119.355 -7.355 1
1 502 . 18 1 1 A 40 40 VAL H H 43 7.230 7.487 -0.257 1
1 503 . 18 1 1 A 40 40 VAL CA C 43 59.100 59.169 -0.069 1
1 504 . 18 1 1 A 40 40 VAL HA H 43 5.420 4.890 0.530 1
1 505 . 18 1 1 A 40 40 VAL CB C 43 36.400 35.474 0.926 1
1 515 . 18 1 1 A 40 40 VAL C C 43 175.200 174.290 0.910 1
1 516 . 18 1 1 A 41 41 VAL N N 44 120.400 123.340 -2.940 1
1 517 . 18 1 1 A 41 41 VAL H H 44 9.080 9.249 -0.169 1
1 518 . 18 1 1 A 41 41 VAL CA C 44 61.500 60.752 0.748 1
1 519 . 18 1 1 A 41 41 VAL HA H 44 4.230 4.902 -0.672 1
1 520 . 18 1 1 A 41 41 VAL CB C 44 34.600 34.575 0.025 1
1 530 . 18 1 1 A 41 41 VAL C C 44 174.000 174.568 -0.568 1
1 531 . 18 1 1 A 42 42 VAL N N 45 123.400 127.610 -4.210 1
1 532 . 18 1 1 A 42 42 VAL H H 45 8.820 9.053 -0.233 1
1 533 . 18 1 1 A 42 42 VAL CA C 45 60.000 61.221 -1.221 1
1 534 . 18 1 1 A 42 42 VAL HA H 45 5.120 4.684 0.436 1
1 535 . 18 1 1 A 42 42 VAL CB C 45 34.300 33.224 1.076 1
1 545 . 18 1 1 A 42 42 VAL C C 45 174.700 174.992 -0.292 1
1 546 . 18 1 1 A 43 43 LYS N N 46 121.700 126.339 -4.639 1
1 547 . 18 1 1 A 43 43 LYS H H 46 8.920 9.254 -0.334 1
1 548 . 18 1 1 A 43 43 LYS CA C 46 53.800 54.144 -0.344 1
1 549 . 18 1 1 A 43 43 LYS HA H 46 5.180 5.369 -0.189 1
1 550 . 18 1 1 A 43 43 LYS CB C 46 36.900 35.655 1.245 1
1 562 . 18 1 1 A 43 43 LYS C C 46 175.600 175.263 0.337 1
1 563 . 18 1 1 A 44 44 LYS N N 47 122.300 122.739 -0.439 1
1 564 . 18 1 1 A 44 44 LYS H H 47 9.240 9.285 -0.045 1
1 565 . 18 1 1 A 44 44 LYS CA C 47 54.400 54.774 -0.374 1
1 566 . 18 1 1 A 44 44 LYS HA H 47 5.190 4.788 0.402 1
1 567 . 18 1 1 A 44 44 LYS CB C 47 36.100 32.934 3.166 1
1 578 . 18 1 1 A 44 44 LYS C C 47 176.000 176.936 -0.936 1
1 579 . 18 1 1 A 45 45 ASN N N 48 129.600 122.818 6.782 1
1 580 . 18 1 1 A 45 45 ASN H H 48 9.980 9.293 0.687 1
1 581 . 18 1 1 A 45 45 ASN CA C 48 54.300 54.099 0.201 1
1 582 . 18 1 1 A 45 45 ASN HA H 48 4.490 4.589 -0.099 1
1 583 . 18 1 1 A 45 45 ASN CB C 48 37.200 37.438 -0.238 1
1 589 . 18 1 1 A 45 45 ASN C C 48 175.800 174.295 1.505 1
1 590 . 18 1 1 A 46 46 GLY N N 49 103.200 104.810 -1.610 1
1 591 . 18 1 1 A 46 46 GLY H H 49 9.340 8.653 0.687 1
1 592 . 18 1 1 A 46 46 GLY CA C 49 45.200 45.109 0.091 1
1 593 . 18 1 1 A 46 46 GLY HA2 H 49 4.300 4.088 0.212 1
1 594 . 18 1 1 A 46 46 GLY HA3 H 49 3.650 4.089 -0.439 1
1 595 . 18 1 1 A 46 46 GLY C C 49 173.600 174.538 -0.938 1
1 596 . 18 1 1 A 47 47 GLN N N 50 119.700 120.005 -0.305 1
1 597 . 18 1 1 A 47 47 GLN H H 50 7.690 7.907 -0.217 1
1 598 . 18 1 1 A 47 47 GLN CA C 50 53.500 55.633 -2.133 1
1 599 . 18 1 1 A 47 47 GLN HA H 50 4.770 4.460 0.310 1
1 600 . 18 1 1 A 47 47 GLN CB C 50 31.300 29.760 1.540 1
1 606 . 18 1 1 A 47 47 GLN C C 50 175.000 175.676 -0.676 1
1 607 . 18 1 1 A 48 48 ILE N N 51 125.800 123.577 2.223 1
1 608 . 18 1 1 A 48 48 ILE H H 51 8.790 8.392 0.398 1
1 609 . 18 1 1 A 48 48 ILE CA C 51 63.000 61.882 1.118 1
1 610 . 18 1 1 A 48 48 ILE HA H 51 4.380 4.428 -0.048 1
1 611 . 18 1 1 A 48 48 ILE CB C 51 37.400 37.489 -0.089 1
1 624 . 18 1 1 A 48 48 ILE C C 51 176.500 175.996 0.504 1
1 625 . 18 1 1 A 49 49 VAL N N 52 121.900 121.008 0.892 1
1 626 . 18 1 1 A 49 49 VAL H H 52 8.290 8.805 -0.515 1
1 627 . 18 1 1 A 49 49 VAL CA C 52 58.900 59.652 -0.752 1
1 628 . 18 1 1 A 49 49 VAL HA H 52 4.860 5.106 -0.246 1
1 629 . 18 1 1 A 49 49 VAL CB C 52 35.700 36.084 -0.384 1
1 639 . 18 1 1 A 50 50 ILE N N 53 114.600 116.113 -1.513 1
1 640 . 18 1 1 A 50 50 ILE H H 53 8.020 8.858 -0.838 1
1 641 . 18 1 1 A 50 50 ILE CA C 53 60.500 58.834 1.666 1
1 642 . 18 1 1 A 50 50 ILE HA H 53 4.610 4.582 0.028 1
1 643 . 18 1 1 A 50 50 ILE CB C 53 39.500 40.154 -0.654 1
1 656 . 18 1 1 A 50 50 ILE C C 53 177.000 176.526 0.474 1
1 657 . 18 1 1 A 51 51 ASP N N 54 118.300 121.795 -3.495 1
1 658 . 18 1 1 A 51 51 ASP H H 54 8.390 8.827 -0.437 1
1 659 . 18 1 1 A 51 51 ASP CA C 54 56.300 56.553 -0.253 1
1 660 . 18 1 1 A 51 51 ASP HA H 54 4.010 4.313 -0.303 1
1 661 . 18 1 1 A 51 51 ASP CB C 54 40.200 40.712 -0.512 1
1 664 . 18 1 1 A 51 51 ASP C C 54 176.300 177.245 -0.945 1
1 665 . 18 1 1 A 52 52 GLU N N 55 116.900 116.445 0.455 1
1 666 . 18 1 1 A 52 52 GLU H H 55 7.100 7.755 -0.655 1
1 667 . 18 1 1 A 52 52 GLU CA C 55 56.000 56.319 -0.319 1
1 668 . 18 1 1 A 52 52 GLU HA H 55 4.200 4.416 -0.216 1
1 669 . 18 1 1 A 52 52 GLU CB C 55 30.000 30.021 -0.021 1
1 675 . 18 1 1 A 52 52 GLU C C 55 175.700 176.630 -0.930 1
1 676 . 18 1 1 A 53 53 GLU N N 56 120.300 120.646 -0.346 1
1 677 . 18 1 1 A 53 53 GLU H H 56 7.570 7.444 0.126 1
1 678 . 18 1 1 A 53 53 GLU CA C 56 57.400 55.903 1.497 1
1 679 . 18 1 1 A 53 53 GLU HA H 56 4.090 4.378 -0.288 1
1 680 . 18 1 1 A 53 53 GLU CB C 56 30.300 30.341 -0.041 1
1 686 . 18 1 1 A 53 53 GLU C C 56 175.400 175.882 -0.482 1
1 687 . 18 1 1 A 54 54 GLU N N 57 123.400 121.969 1.431 1
1 688 . 18 1 1 A 54 54 GLU H H 57 8.430 8.594 -0.164 1
1 689 . 18 1 1 A 54 54 GLU CA C 57 56.500 56.312 0.188 1
1 690 . 18 1 1 A 54 54 GLU HA H 57 4.320 4.220 0.100 1
1 691 . 18 1 1 A 54 54 GLU CB C 57 32.200 30.233 1.967 1
1 697 . 18 1 1 A 54 54 GLU C C 57 174.300 175.875 -1.575 1
1 698 . 18 1 1 A 55 55 ILE N N 58 122.000 122.226 -0.226 1
1 699 . 18 1 1 A 55 55 ILE H H 58 7.850 8.158 -0.308 1
1 700 . 18 1 1 A 55 55 ILE CA C 58 60.400 59.692 0.708 1
1 701 . 18 1 1 A 55 55 ILE HA H 58 3.770 4.391 -0.621 1
1 702 . 18 1 1 A 55 55 ILE CB C 58 40.100 38.998 1.102 1
1 715 . 18 1 1 A 55 55 ILE C C 58 172.900 174.830 -1.930 1
1 716 . 18 1 1 A 56 56 PHE N N 59 124.500 125.433 -0.933 1
1 717 . 18 1 1 A 56 56 PHE H H 59 8.970 8.838 0.132 1
1 718 . 18 1 1 A 56 56 PHE CA C 59 55.900 56.010 -0.110 1
1 719 . 18 1 1 A 56 56 PHE HA H 59 4.820 5.041 -0.221 1
1 720 . 18 1 1 A 56 56 PHE CB C 59 41.900 42.244 -0.344 1
1 727 . 18 1 1 A 56 56 PHE C C 59 175.100 174.625 0.475 1
1 728 . 18 1 1 A 57 57 ASP N N 60 117.300 123.565 -6.265 1
1 729 . 18 1 1 A 57 57 ASP H H 60 8.320 8.908 -0.588 1
1 730 . 18 1 1 A 57 57 ASP CA C 60 56.400 55.988 0.412 1
1 731 . 18 1 1 A 57 57 ASP HA H 60 4.630 4.420 0.210 1
1 732 . 18 1 1 A 57 57 ASP CB C 60 42.700 40.369 2.331 1
1 735 . 18 1 1 A 57 57 ASP C C 60 177.900 177.135 0.765 1
1 736 . 18 1 1 A 58 58 GLY N N 61 114.600 113.985 0.615 1
1 737 . 18 1 1 A 58 58 GLY H H 61 9.700 9.317 0.383 1
1 738 . 18 1 1 A 58 58 GLY CA C 61 45.100 45.595 -0.495 1
1 739 . 18 1 1 A 58 58 GLY HA2 H 61 4.420 3.939 0.481 1
1 740 . 18 1 1 A 58 58 GLY HA3 H 61 3.770 3.950 -0.180 1
1 741 . 18 1 1 A 58 58 GLY C C 61 174.900 173.266 1.634 1
1 742 . 18 1 1 A 59 59 ASP N N 62 122.200 121.202 0.998 1
1 743 . 18 1 1 A 59 59 ASP H H 62 8.350 8.017 0.333 1
1 744 . 18 1 1 A 59 59 ASP CA C 62 55.900 53.208 2.692 1
1 745 . 18 1 1 A 59 59 ASP HA H 62 4.940 5.019 -0.079 1
1 746 . 18 1 1 A 59 59 ASP CB C 62 42.500 42.450 0.050 1
1 749 . 18 1 1 A 59 59 ASP C C 62 176.000 175.499 0.501 1
1 750 . 18 1 1 A 60 60 ILE N N 63 119.100 125.051 -5.951 1
1 751 . 18 1 1 A 60 60 ILE H H 63 8.400 8.932 -0.532 1
1 752 . 18 1 1 A 60 60 ILE CA C 63 60.700 59.833 0.867 1
1 753 . 18 1 1 A 60 60 ILE HA H 63 4.690 4.845 -0.155 1
1 754 . 18 1 1 A 60 60 ILE CB C 63 39.700 39.276 0.424 1
1 767 . 18 1 1 A 60 60 ILE C C 63 175.400 174.623 0.777 1
1 768 . 18 1 1 A 61 61 ILE N N 64 130.300 128.887 1.413 1
1 769 . 18 1 1 A 61 61 ILE H H 64 9.550 9.711 -0.161 1
1 770 . 18 1 1 A 61 61 ILE CA C 64 58.300 60.437 -2.137 1
1 771 . 18 1 1 A 61 61 ILE HA H 64 5.230 4.865 0.365 1
1 772 . 18 1 1 A 61 61 ILE CB C 64 38.700 39.450 -0.750 1
1 785 . 18 1 1 A 61 61 ILE C C 64 174.400 174.766 -0.366 1
1 786 . 18 1 1 A 62 62 GLU N N 65 126.800 127.563 -0.763 1
1 787 . 18 1 1 A 62 62 GLU H H 65 9.340 9.046 0.294 1
1 788 . 18 1 1 A 62 62 GLU CA C 65 54.500 55.087 -0.587 1
1 789 . 18 1 1 A 62 62 GLU HA H 65 5.080 4.928 0.152 1
1 790 . 18 1 1 A 62 62 GLU CB C 65 33.300 31.496 1.804 1
1 796 . 18 1 1 A 62 62 GLU C C 65 174.300 175.689 -1.389 1
1 797 . 18 1 1 A 63 63 VAL N N 66 124.300 125.535 -1.235 1
1 798 . 18 1 1 A 63 63 VAL H H 66 8.710 9.019 -0.309 1
1 799 . 18 1 1 A 63 63 VAL CA C 66 61.900 61.714 0.186 1
1 800 . 18 1 1 A 63 63 VAL HA H 66 4.420 4.632 -0.212 1
1 801 . 18 1 1 A 63 63 VAL CB C 66 32.600 32.352 0.248 1
1 811 . 18 1 1 A 63 63 VAL C C 66 175.300 174.833 0.467 1
1 812 . 18 1 1 A 64 64 ILE N N 67 131.200 128.763 2.437 1
1 813 . 18 1 1 A 64 64 ILE H H 67 9.180 9.294 -0.114 1
1 814 . 18 1 1 A 64 64 ILE CA C 67 60.200 59.986 0.214 1
1 815 . 18 1 1 A 64 64 ILE HA H 67 4.360 4.798 -0.438 1
1 816 . 18 1 1 A 64 64 ILE CB C 67 40.400 38.703 1.697 1
1 829 . 18 1 1 A 64 64 ILE C C 67 175.300 175.508 -0.208 1
1 830 . 18 1 1 A 65 65 ARG N N 68 126.900 127.946 -1.046 1
1 831 . 18 1 1 A 65 65 ARG H H 68 9.020 8.566 0.454 1
1 832 . 18 1 1 A 65 65 ARG CA C 68 57.200 56.764 0.436 1
1 833 . 18 1 1 A 65 65 ARG HA H 68 4.480 4.436 0.044 1
1 834 . 18 1 1 A 65 65 ARG CB C 68 30.500 30.714 -0.214 1
1 843 . 18 1 1 A 65 65 ARG C C 68 176.800 176.065 0.735 1
1 844 . 18 1 1 A 66 66 VAL N N 69 122.300 123.343 -1.043 1
1 845 . 18 1 1 A 66 66 VAL H H 69 8.280 8.664 -0.384 1
1 846 . 18 1 1 A 66 66 VAL CA C 69 62.200 61.054 1.146 1
1 847 . 18 1 1 A 66 66 VAL HA H 69 4.100 4.538 -0.438 1
1 848 . 18 1 1 A 66 66 VAL CB C 69 32.800 32.919 -0.119 1
1 858 . 18 1 1 A 66 66 VAL C C 69 175.500 175.150 0.350 1
1 859 . 18 1 1 A 67 67 ILE N N 70 124.000 129.412 -5.412 1
1 860 . 18 1 1 A 67 67 ILE H H 70 7.930 8.705 -0.775 1
1 861 . 18 1 1 A 67 67 ILE CA C 70 60.300 60.833 -0.533 1
1 862 . 18 1 1 A 67 67 ILE HA H 70 4.210 4.512 -0.302 1
1 863 . 18 1 1 A 67 67 ILE CB C 70 38.900 38.844 0.056 1
1 876 . 18 1 1 A 67 67 ILE C C 70 175.500 174.765 0.735 1
1 877 . 18 1 1 A 68 68 TYR N N 71 126.200 131.606 -5.406 1
1 878 . 18 1 1 A 68 68 TYR H H 71 8.450 9.022 -0.572 1
1 879 . 18 1 1 A 68 68 TYR CA C 71 57.900 57.261 0.639 1
1 880 . 18 1 1 A 68 68 TYR HA H 71 4.590 4.891 -0.301 1
1 881 . 18 1 1 A 68 68 TYR CB C 71 39.000 40.120 -1.120 1
1 886 . 18 1 1 A 68 68 TYR C C 71 176.200 175.203 0.997 1
1 887 . 18 1 1 A 69 69 GLY N N 72 112.000 112.725 -0.725 1
1 888 . 18 1 1 A 69 69 GLY H H 72 8.370 8.141 0.229 1
1 889 . 18 1 1 A 69 69 GLY CA C 72 45.300 46.931 -1.631 1
1 890 . 18 1 1 A 69 69 GLY HA2 H 72 3.910 3.708 0.202 1
1 891 . 18 1 1 A 69 69 GLY HA3 H 72 3.910 3.822 0.088 1
1 892 . 18 1 1 A 69 69 GLY C C 72 173.500 174.088 -0.588 1
1 10 . 19 1 1 A 2 2 VAL N N 5 122.400 127.211 -4.811 1
1 11 . 19 1 1 A 2 2 VAL H H 5 8.290 8.727 -0.437 1
1 12 . 19 1 1 A 2 2 VAL CA C 5 62.400 61.810 0.590 1
1 13 . 19 1 1 A 2 2 VAL HA H 5 4.120 4.554 -0.434 1
1 14 . 19 1 1 A 2 2 VAL CB C 5 32.600 32.305 0.295 1
1 24 . 19 1 1 A 2 2 VAL C C 5 175.700 173.798 1.902 1
1 25 . 19 1 1 A 3 3 ILE N N 6 125.000 131.497 -6.497 1
1 26 . 19 1 1 A 3 3 ILE H H 6 8.240 8.881 -0.641 1
1 27 . 19 1 1 A 3 3 ILE CA C 6 60.900 59.656 1.244 1
1 28 . 19 1 1 A 3 3 ILE HA H 6 4.210 4.904 -0.694 1
1 29 . 19 1 1 A 3 3 ILE CB C 6 38.700 39.383 -0.683 1
1 42 . 19 1 1 A 3 3 ILE C C 6 176.000 175.763 0.237 1
1 43 . 19 1 1 A 4 4 GLY N N 7 112.900 112.564 0.336 1
1 44 . 19 1 1 A 4 4 GLY H H 7 8.330 8.332 -0.002 1
1 45 . 19 1 1 A 4 4 GLY CA C 7 45.300 44.017 1.283 1
1 46 . 19 1 1 A 4 4 GLY HA2 H 7 4.140 4.174 -0.034 1
1 47 . 19 1 1 A 4 4 GLY HA3 H 7 4.020 4.185 -0.165 1
1 48 . 19 1 1 A 4 4 GLY C C 7 172.800 172.685 0.115 1
1 49 . 19 1 1 A 5 5 MET N N 8 118.400 118.264 0.136 1
1 50 . 19 1 1 A 5 5 MET H H 8 8.540 8.397 0.143 1
1 51 . 19 1 1 A 5 5 MET CA C 8 54.800 54.224 0.576 1
1 52 . 19 1 1 A 5 5 MET HA H 8 4.820 5.366 -0.546 1
1 53 . 19 1 1 A 5 5 MET CB C 8 35.500 36.870 -1.370 1
1 63 . 19 1 1 A 5 5 MET C C 8 174.100 174.223 -0.123 1
1 64 . 19 1 1 A 6 6 LYS N N 9 122.000 123.539 -1.539 1
1 65 . 19 1 1 A 6 6 LYS H H 9 9.150 9.287 -0.137 1
1 66 . 19 1 1 A 6 6 LYS CA C 9 55.100 54.878 0.222 1
1 67 . 19 1 1 A 6 6 LYS HA H 9 5.430 4.873 0.557 1
1 68 . 19 1 1 A 6 6 LYS CB C 9 36.100 33.948 2.152 1
1 80 . 19 1 1 A 6 6 LYS C C 9 174.500 175.809 -1.309 1
1 81 . 19 1 1 A 7 7 PHE N N 10 119.300 122.678 -3.378 1
1 82 . 19 1 1 A 7 7 PHE H H 10 8.670 8.290 0.380 1
1 83 . 19 1 1 A 7 7 PHE CA C 10 55.700 55.583 0.117 1
1 84 . 19 1 1 A 7 7 PHE HA H 10 5.190 5.398 -0.208 1
1 85 . 19 1 1 A 7 7 PHE CB C 10 40.100 42.188 -2.088 1
1 92 . 19 1 1 A 7 7 PHE C C 10 172.400 172.425 -0.025 1
1 93 . 19 1 1 A 8 8 THR N N 11 116.500 115.290 1.210 1
1 94 . 19 1 1 A 8 8 THR H H 11 8.440 8.904 -0.464 1
1 95 . 19 1 1 A 8 8 THR CA C 11 62.200 59.558 2.642 1
1 96 . 19 1 1 A 8 8 THR HA H 11 5.070 5.384 -0.314 1
1 97 . 19 1 1 A 8 8 THR CB C 11 70.800 71.367 -0.567 1
1 103 . 19 1 1 A 8 8 THR C C 11 173.300 172.069 1.231 1
1 104 . 19 1 1 A 9 9 VAL N N 12 126.200 126.469 -0.269 1
1 105 . 19 1 1 A 9 9 VAL H H 12 9.400 9.072 0.328 1
1 106 . 19 1 1 A 9 9 VAL CA C 12 60.700 59.753 0.947 1
1 107 . 19 1 1 A 9 9 VAL HA H 12 5.090 5.515 -0.425 1
1 108 . 19 1 1 A 9 9 VAL CB C 12 34.100 34.248 -0.148 1
1 118 . 19 1 1 A 9 9 VAL C C 12 174.500 173.383 1.117 1
1 119 . 19 1 1 A 10 10 ILE N N 13 129.600 129.088 0.512 1
1 120 . 19 1 1 A 10 10 ILE H H 13 9.560 9.073 0.487 1
1 121 . 19 1 1 A 10 10 ILE CA C 13 61.400 59.639 1.761 1
1 122 . 19 1 1 A 10 10 ILE HA H 13 4.640 5.204 -0.564 1
1 123 . 19 1 1 A 10 10 ILE CB C 13 39.700 40.484 -0.784 1
1 136 . 19 1 1 A 10 10 ILE C C 13 175.200 174.242 0.958 1
1 137 . 19 1 1 A 11 11 THR N N 14 116.800 124.186 -7.386 1
1 138 . 19 1 1 A 11 11 THR H H 14 8.430 8.875 -0.445 1
1 139 . 19 1 1 A 11 11 THR CA C 14 59.200 60.887 -1.687 1
1 140 . 19 1 1 A 11 11 THR HA H 14 5.160 4.808 0.352 1
1 141 . 19 1 1 A 11 11 THR CB C 14 71.900 72.263 -0.363 1
1 147 . 19 1 1 A 11 11 THR C C 14 175.800 174.787 1.013 1
1 148 . 19 1 1 A 12 12 ASP N N 15 120.000 122.801 -2.801 1
1 149 . 19 1 1 A 12 12 ASP H H 15 9.010 9.133 -0.123 1
1 150 . 19 1 1 A 12 12 ASP CA C 15 56.900 55.937 0.963 1
1 151 . 19 1 1 A 12 12 ASP HA H 15 4.440 4.472 -0.032 1
1 152 . 19 1 1 A 12 12 ASP CB C 15 40.900 39.821 1.079 1
1 155 . 19 1 1 A 12 12 ASP C C 15 176.600 176.887 -0.287 1
1 156 . 19 1 1 A 13 13 ASP N N 16 115.300 118.567 -3.267 1
1 157 . 19 1 1 A 13 13 ASP H H 16 8.090 7.962 0.128 1
1 158 . 19 1 1 A 13 13 ASP CA C 16 53.400 54.118 -0.718 1
1 159 . 19 1 1 A 13 13 ASP HA H 16 4.730 4.686 0.044 1
1 160 . 19 1 1 A 13 13 ASP CB C 16 41.800 41.443 0.357 1
1 163 . 19 1 1 A 13 13 ASP C C 16 175.700 176.162 -0.462 1
1 164 . 19 1 1 A 14 14 GLY N N 17 108.000 107.152 0.848 1
1 165 . 19 1 1 A 14 14 GLY H H 17 7.610 7.604 0.006 1
1 166 . 19 1 1 A 14 14 GLY CA C 17 44.900 43.816 1.084 1
1 167 . 19 1 1 A 14 14 GLY HA2 H 17 4.450 4.058 0.392 1
1 168 . 19 1 1 A 14 14 GLY HA3 H 17 3.860 4.061 -0.201 1
1 169 . 19 1 1 A 14 14 GLY C C 17 171.800 172.252 -0.452 1
1 170 . 19 1 1 A 15 15 LYS N N 18 120.600 121.305 -0.705 1
1 171 . 19 1 1 A 15 15 LYS H H 18 8.430 8.457 -0.027 1
1 172 . 19 1 1 A 15 15 LYS CA C 18 55.400 55.523 -0.123 1
1 173 . 19 1 1 A 15 15 LYS HA H 18 5.080 4.981 0.099 1
1 174 . 19 1 1 A 15 15 LYS CB C 18 34.600 33.758 0.842 1
1 186 . 19 1 1 A 15 15 LYS C C 18 175.600 175.097 0.503 1
1 187 . 19 1 1 A 16 16 LYS N N 19 125.700 127.794 -2.094 1
1 188 . 19 1 1 A 16 16 LYS H H 19 9.160 9.248 -0.088 1
1 189 . 19 1 1 A 16 16 LYS CA C 19 55.000 54.770 0.230 1
1 190 . 19 1 1 A 16 16 LYS HA H 19 4.620 5.070 -0.450 1
1 191 . 19 1 1 A 16 16 LYS CB C 19 36.100 36.171 -0.071 1
1 201 . 19 1 1 A 16 16 LYS C C 19 174.000 174.723 -0.723 1
1 202 . 19 1 1 A 17 17 ILE N N 20 123.800 127.036 -3.236 1
1 203 . 19 1 1 A 17 17 ILE H H 20 8.420 8.392 0.028 1
1 204 . 19 1 1 A 17 17 ILE CA C 20 60.400 60.002 0.398 1
1 205 . 19 1 1 A 17 17 ILE HA H 20 4.620 4.746 -0.126 1
1 206 . 19 1 1 A 17 17 ILE CB C 20 37.900 38.442 -0.542 1
1 219 . 19 1 1 A 17 17 ILE C C 20 175.700 175.155 0.545 1
1 220 . 19 1 1 A 18 18 LEU N N 21 130.500 124.868 5.632 1
1 221 . 19 1 1 A 18 18 LEU H H 21 8.600 8.618 -0.018 1
1 222 . 19 1 1 A 18 18 LEU CA C 21 53.500 52.998 0.502 1
1 223 . 19 1 1 A 18 18 LEU HA H 21 4.490 5.048 -0.558 1
1 224 . 19 1 1 A 18 18 LEU CB C 21 44.500 46.215 -1.715 1
1 236 . 19 1 1 A 18 18 LEU C C 21 174.000 174.765 -0.765 1
1 237 . 19 1 1 A 19 19 GLU N N 22 116.200 119.021 -2.821 1
1 238 . 19 1 1 A 19 19 GLU H H 22 7.940 8.904 -0.964 1
1 239 . 19 1 1 A 19 19 GLU CA C 22 53.800 54.160 -0.360 1
1 240 . 19 1 1 A 19 19 GLU HA H 22 5.280 4.875 0.405 1
1 241 . 19 1 1 A 19 19 GLU CB C 22 33.400 33.874 -0.474 1
1 247 . 19 1 1 A 19 19 GLU C C 22 176.600 174.027 2.573 1
1 248 . 19 1 1 A 20 20 SER N N 23 114.700 114.739 -0.039 1
1 249 . 19 1 1 A 20 20 SER H H 23 8.630 8.451 0.179 1
1 250 . 19 1 1 A 20 20 SER CA C 23 57.400 56.385 1.015 1
1 251 . 19 1 1 A 20 20 SER HA H 23 4.780 5.072 -0.292 1
1 252 . 19 1 1 A 20 20 SER CB C 23 65.900 66.019 -0.119 1
1 255 . 19 1 1 A 20 20 SER C C 23 174.100 173.553 0.547 1
1 256 . 19 1 1 A 21 21 GLY N N 24 109.400 112.132 -2.732 1
1 257 . 19 1 1 A 21 21 GLY H H 24 8.340 8.508 -0.168 1
1 258 . 19 1 1 A 21 21 GLY CA C 24 45.100 45.366 -0.266 1
1 259 . 19 1 1 A 21 21 GLY HA2 H 24 4.470 3.986 0.484 1
1 260 . 19 1 1 A 21 21 GLY HA3 H 24 3.790 3.993 -0.203 1
1 261 . 19 1 1 A 21 21 GLY C C 24 172.600 173.658 -1.058 1
1 262 . 19 1 1 A 22 22 ALA N N 25 122.500 121.913 0.587 1
1 263 . 19 1 1 A 22 22 ALA H H 25 7.790 7.312 0.478 1
1 264 . 19 1 1 A 22 22 ALA CA C 25 49.900 49.801 0.099 1
1 265 . 19 1 1 A 22 22 ALA HA H 25 4.780 4.847 -0.067 1
1 269 . 19 1 1 A 22 22 ALA CB C 25 20.600 21.927 -1.327 1
1 271 . 19 1 1 A 23 23 PRO CA C 26 63.700 62.984 0.716 1
1 272 . 19 1 1 A 23 23 PRO HA H 26 4.400 4.877 -0.477 1
1 273 . 19 1 1 A 23 23 PRO CB C 26 31.900 32.280 -0.380 1
1 281 . 19 1 1 A 23 23 PRO C C 26 176.500 175.575 0.925 1
1 282 . 19 1 1 A 24 24 ARG N N 27 120.200 124.182 -3.982 1
1 283 . 19 1 1 A 24 24 ARG H H 27 7.810 9.050 -1.240 1
1 284 . 19 1 1 A 24 24 ARG CA C 27 53.800 54.691 -0.891 1
1 285 . 19 1 1 A 24 24 ARG HA H 27 4.680 4.819 -0.139 1
1 286 . 19 1 1 A 24 24 ARG CB C 27 35.600 34.559 1.041 1
1 295 . 19 1 1 A 24 24 ARG C C 27 174.300 173.844 0.456 1
1 296 . 19 1 1 A 25 25 ARG N N 28 119.300 123.601 -4.301 1
1 297 . 19 1 1 A 25 25 ARG H H 28 8.900 8.745 0.155 1
1 298 . 19 1 1 A 25 25 ARG CA C 28 54.200 54.278 -0.078 1
1 299 . 19 1 1 A 25 25 ARG HA H 28 4.870 4.842 0.028 1
1 300 . 19 1 1 A 25 25 ARG CB C 28 32.200 32.587 -0.387 1
1 309 . 19 1 1 A 25 25 ARG C C 28 178.300 177.091 1.209 1
1 310 . 19 1 1 A 26 26 ILE N N 29 123.500 124.874 -1.374 1
1 311 . 19 1 1 A 26 26 ILE H H 29 8.630 9.390 -0.760 1
1 312 . 19 1 1 A 26 26 ILE CA C 29 65.200 65.196 0.004 1
1 313 . 19 1 1 A 26 26 ILE HA H 29 3.410 3.651 -0.241 1
1 314 . 19 1 1 A 26 26 ILE CB C 29 36.500 37.699 -1.199 1
1 327 . 19 1 1 A 26 26 ILE C C 29 178.600 178.014 0.586 1
1 328 . 19 1 1 A 27 27 LYS N N 30 115.100 120.727 -5.627 1
1 329 . 19 1 1 A 27 27 LYS H H 30 8.900 8.661 0.239 1
1 330 . 19 1 1 A 27 27 LYS CA C 30 59.300 59.783 -0.483 1
1 331 . 19 1 1 A 27 27 LYS HA H 30 3.900 3.831 0.069 1
1 332 . 19 1 1 A 27 27 LYS CB C 30 31.700 32.245 -0.545 1
1 344 . 19 1 1 A 27 27 LYS C C 30 178.000 178.117 -0.117 1
1 345 . 19 1 1 A 28 28 ASP N N 31 119.700 119.011 0.689 1
1 346 . 19 1 1 A 28 28 ASP H H 31 7.180 7.990 -0.810 1
1 347 . 19 1 1 A 28 28 ASP CA C 31 56.900 57.108 -0.208 1
1 348 . 19 1 1 A 28 28 ASP HA H 31 4.480 4.435 0.045 1
1 349 . 19 1 1 A 28 28 ASP CB C 31 41.300 41.013 0.287 1
1 352 . 19 1 1 A 28 28 ASP C C 31 178.600 178.430 0.170 1
1 353 . 19 1 1 A 29 29 VAL N N 32 122.100 119.307 2.793 1
1 354 . 19 1 1 A 29 29 VAL H H 32 7.410 8.433 -1.023 1
1 355 . 19 1 1 A 29 29 VAL CA C 32 65.900 66.686 -0.786 1
1 356 . 19 1 1 A 29 29 VAL HA H 32 3.730 3.623 0.107 1
1 357 . 19 1 1 A 29 29 VAL CB C 32 32.000 31.745 0.255 1
1 367 . 19 1 1 A 29 29 VAL C C 32 177.600 177.942 -0.342 1
1 368 . 19 1 1 A 30 30 LEU N N 33 118.000 117.966 0.034 1
1 369 . 19 1 1 A 30 30 LEU H H 33 8.380 8.539 -0.159 1
1 370 . 19 1 1 A 30 30 LEU CA C 33 58.500 57.798 0.702 1
1 371 . 19 1 1 A 30 30 LEU HA H 33 3.910 4.010 -0.100 1
1 372 . 19 1 1 A 30 30 LEU CB C 33 39.200 41.597 -2.397 1
1 385 . 19 1 1 A 30 30 LEU C C 33 179.200 179.265 -0.065 1
1 386 . 19 1 1 A 31 31 GLY N N 34 104.500 107.066 -2.566 1
1 387 . 19 1 1 A 31 31 GLY H H 34 7.730 8.077 -0.347 1
1 388 . 19 1 1 A 31 31 GLY CA C 34 47.100 47.242 -0.142 1
1 389 . 19 1 1 A 31 31 GLY HA2 H 34 3.940 3.770 0.170 1
1 390 . 19 1 1 A 31 31 GLY HA3 H 34 3.940 3.771 0.169 1
1 391 . 19 1 1 A 31 31 GLY C C 34 177.500 175.802 1.698 1
1 392 . 19 1 1 A 32 32 GLU N N 35 124.300 121.938 2.362 1
1 393 . 19 1 1 A 32 32 GLU H H 35 7.750 8.233 -0.483 1
1 394 . 19 1 1 A 32 32 GLU CA C 35 59.100 59.141 -0.041 1
1 395 . 19 1 1 A 32 32 GLU HA H 35 4.130 4.054 0.076 1
1 396 . 19 1 1 A 32 32 GLU CB C 35 29.800 29.570 0.230 1
1 402 . 19 1 1 A 32 32 GLU C C 35 178.300 178.923 -0.623 1
1 403 . 19 1 1 A 33 33 LEU N N 36 117.300 118.361 -1.061 1
1 404 . 19 1 1 A 33 33 LEU H H 36 7.750 7.753 -0.003 1
1 405 . 19 1 1 A 33 33 LEU CA C 36 55.000 55.295 -0.295 1
1 406 . 19 1 1 A 33 33 LEU HA H 36 4.270 4.195 0.075 1
1 407 . 19 1 1 A 33 33 LEU CB C 36 42.100 41.769 0.331 1
1 420 . 19 1 1 A 33 33 LEU C C 36 175.200 176.480 -1.280 1
1 421 . 19 1 1 A 34 34 GLU N N 37 115.500 118.703 -3.203 1
1 422 . 19 1 1 A 34 34 GLU H H 37 7.780 7.947 -0.167 1
1 423 . 19 1 1 A 34 34 GLU CA C 37 57.200 57.653 -0.453 1
1 424 . 19 1 1 A 34 34 GLU HA H 37 3.830 3.984 -0.154 1
1 425 . 19 1 1 A 34 34 GLU CB C 37 26.700 28.424 -1.724 1
1 431 . 19 1 1 A 34 34 GLU C C 37 175.300 175.045 0.255 1
1 432 . 19 1 1 A 35 35 ILE N N 38 121.300 120.318 0.982 1
1 433 . 19 1 1 A 35 35 ILE H H 38 8.010 7.766 0.244 1
1 434 . 19 1 1 A 35 35 ILE CA C 38 58.300 58.480 -0.180 1
1 435 . 19 1 1 A 35 35 ILE HA H 38 4.410 4.270 0.140 1
1 436 . 19 1 1 A 35 35 ILE CB C 38 40.300 38.051 2.249 1
1 450 . 19 1 1 A 36 36 PRO CA C 39 62.400 62.316 0.084 1
1 451 . 19 1 1 A 36 36 PRO HA H 39 4.470 4.635 -0.165 1
1 452 . 19 1 1 A 36 36 PRO CB C 39 31.600 28.941 2.659 1
1 460 . 19 1 1 A 36 36 PRO C C 39 179.200 177.228 1.972 1
1 461 . 19 1 1 A 37 37 ILE N N 40 127.500 124.973 2.527 1
1 462 . 19 1 1 A 37 37 ILE H H 40 8.350 8.493 -0.143 1
1 463 . 19 1 1 A 37 37 ILE CA C 40 63.700 63.118 0.582 1
1 464 . 19 1 1 A 37 37 ILE HA H 40 3.750 3.917 -0.167 1
1 465 . 19 1 1 A 37 37 ILE CB C 40 38.600 37.945 0.655 1
1 478 . 19 1 1 A 37 37 ILE C C 40 176.100 177.326 -1.226 1
1 479 . 19 1 1 A 38 38 GLU N N 41 118.500 121.375 -2.875 1
1 480 . 19 1 1 A 38 38 GLU H H 41 9.370 8.016 1.354 1
1 481 . 19 1 1 A 38 38 GLU CA C 41 58.400 58.927 -0.527 1
1 482 . 19 1 1 A 38 38 GLU HA H 41 4.330 4.108 0.222 1
1 483 . 19 1 1 A 38 38 GLU CB C 41 28.500 29.585 -1.085 1
1 489 . 19 1 1 A 38 38 GLU C C 41 177.600 177.778 -0.178 1
1 490 . 19 1 1 A 39 39 THR N N 42 107.400 112.905 -5.505 1
1 491 . 19 1 1 A 39 39 THR H H 42 7.810 7.488 0.322 1
1 492 . 19 1 1 A 39 39 THR CA C 42 61.600 61.830 -0.230 1
1 493 . 19 1 1 A 39 39 THR HA H 42 4.520 4.504 0.016 1
1 494 . 19 1 1 A 39 39 THR CB C 42 70.300 69.308 0.992 1
1 500 . 19 1 1 A 39 39 THR C C 42 174.000 174.020 -0.020 1
1 501 . 19 1 1 A 40 40 VAL N N 43 112.000 119.538 -7.538 1
1 502 . 19 1 1 A 40 40 VAL H H 43 7.230 7.135 0.095 1
1 503 . 19 1 1 A 40 40 VAL CA C 43 59.100 58.969 0.131 1
1 504 . 19 1 1 A 40 40 VAL HA H 43 5.420 4.921 0.499 1
1 505 . 19 1 1 A 40 40 VAL CB C 43 36.400 35.308 1.092 1
1 515 . 19 1 1 A 40 40 VAL C C 43 175.200 174.582 0.618 1
1 516 . 19 1 1 A 41 41 VAL N N 44 120.400 122.730 -2.330 1
1 517 . 19 1 1 A 41 41 VAL H H 44 9.080 8.865 0.215 1
1 518 . 19 1 1 A 41 41 VAL CA C 44 61.500 62.273 -0.773 1
1 519 . 19 1 1 A 41 41 VAL HA H 44 4.230 4.383 -0.153 1
1 520 . 19 1 1 A 41 41 VAL CB C 44 34.600 32.210 2.390 1
1 530 . 19 1 1 A 41 41 VAL C C 44 174.000 175.442 -1.442 1
1 531 . 19 1 1 A 42 42 VAL N N 45 123.400 128.966 -5.566 1
1 532 . 19 1 1 A 42 42 VAL H H 45 8.820 9.061 -0.241 1
1 533 . 19 1 1 A 42 42 VAL CA C 45 60.000 61.047 -1.047 1
1 534 . 19 1 1 A 42 42 VAL HA H 45 5.120 4.745 0.375 1
1 535 . 19 1 1 A 42 42 VAL CB C 45 34.300 33.164 1.136 1
1 545 . 19 1 1 A 42 42 VAL C C 45 174.700 175.053 -0.353 1
1 546 . 19 1 1 A 43 43 LYS N N 46 121.700 126.971 -5.271 1
1 547 . 19 1 1 A 43 43 LYS H H 46 8.920 8.829 0.091 1
1 548 . 19 1 1 A 43 43 LYS CA C 46 53.800 54.757 -0.957 1
1 549 . 19 1 1 A 43 43 LYS HA H 46 5.180 5.222 -0.042 1
1 550 . 19 1 1 A 43 43 LYS CB C 46 36.900 34.590 2.310 1
1 562 . 19 1 1 A 43 43 LYS C C 46 175.600 174.646 0.954 1
1 563 . 19 1 1 A 44 44 LYS N N 47 122.300 126.027 -3.727 1
1 564 . 19 1 1 A 44 44 LYS H H 47 9.240 9.155 0.085 1
1 565 . 19 1 1 A 44 44 LYS CA C 47 54.400 55.487 -1.087 1
1 566 . 19 1 1 A 44 44 LYS HA H 47 5.190 4.527 0.663 1
1 567 . 19 1 1 A 44 44 LYS CB C 47 36.100 33.796 2.304 1
1 578 . 19 1 1 A 44 44 LYS C C 47 176.000 176.478 -0.478 1
1 579 . 19 1 1 A 45 45 ASN N N 48 129.600 125.265 4.335 1
1 580 . 19 1 1 A 45 45 ASN H H 48 9.980 9.354 0.626 1
1 581 . 19 1 1 A 45 45 ASN CA C 48 54.300 54.144 0.156 1
1 582 . 19 1 1 A 45 45 ASN HA H 48 4.490 4.385 0.105 1
1 583 . 19 1 1 A 45 45 ASN CB C 48 37.200 37.458 -0.258 1
1 589 . 19 1 1 A 45 45 ASN C C 48 175.800 174.502 1.298 1
1 590 . 19 1 1 A 46 46 GLY N N 49 103.200 105.087 -1.887 1
1 591 . 19 1 1 A 46 46 GLY H H 49 9.340 8.346 0.994 1
1 592 . 19 1 1 A 46 46 GLY CA C 49 45.200 45.156 0.044 1
1 593 . 19 1 1 A 46 46 GLY HA2 H 49 4.300 4.000 0.300 1
1 594 . 19 1 1 A 46 46 GLY HA3 H 49 3.650 4.005 -0.355 1
1 595 . 19 1 1 A 46 46 GLY C C 49 173.600 173.973 -0.373 1
1 596 . 19 1 1 A 47 47 GLN N N 50 119.700 119.770 -0.070 1
1 597 . 19 1 1 A 47 47 GLN H H 50 7.690 7.802 -0.112 1
1 598 . 19 1 1 A 47 47 GLN CA C 50 53.500 55.499 -1.999 1
1 599 . 19 1 1 A 47 47 GLN HA H 50 4.770 4.435 0.335 1
1 600 . 19 1 1 A 47 47 GLN CB C 50 31.300 29.616 1.684 1
1 606 . 19 1 1 A 47 47 GLN C C 50 175.000 175.693 -0.693 1
1 607 . 19 1 1 A 48 48 ILE N N 51 125.800 124.646 1.154 1
1 608 . 19 1 1 A 48 48 ILE H H 51 8.790 8.500 0.290 1
1 609 . 19 1 1 A 48 48 ILE CA C 51 63.000 61.425 1.575 1
1 610 . 19 1 1 A 48 48 ILE HA H 51 4.380 4.612 -0.232 1
1 611 . 19 1 1 A 48 48 ILE CB C 51 37.400 36.664 0.736 1
1 624 . 19 1 1 A 48 48 ILE C C 51 176.500 175.634 0.866 1
1 625 . 19 1 1 A 49 49 VAL N N 52 121.900 121.892 0.008 1
1 626 . 19 1 1 A 49 49 VAL H H 52 8.290 8.670 -0.380 1
1 627 . 19 1 1 A 49 49 VAL CA C 52 58.900 59.502 -0.602 1
1 628 . 19 1 1 A 49 49 VAL HA H 52 4.860 4.995 -0.135 1
1 629 . 19 1 1 A 49 49 VAL CB C 52 35.700 34.918 0.782 1
1 639 . 19 1 1 A 50 50 ILE N N 53 114.600 118.286 -3.686 1
1 640 . 19 1 1 A 50 50 ILE H H 53 8.020 8.427 -0.407 1
1 641 . 19 1 1 A 50 50 ILE CA C 53 60.500 59.551 0.949 1
1 642 . 19 1 1 A 50 50 ILE HA H 53 4.610 4.416 0.194 1
1 643 . 19 1 1 A 50 50 ILE CB C 53 39.500 40.103 -0.603 1
1 656 . 19 1 1 A 50 50 ILE C C 53 177.000 176.957 0.043 1
1 657 . 19 1 1 A 51 51 ASP N N 54 118.300 120.984 -2.684 1
1 658 . 19 1 1 A 51 51 ASP H H 54 8.390 8.822 -0.432 1
1 659 . 19 1 1 A 51 51 ASP CA C 54 56.300 55.297 1.003 1
1 660 . 19 1 1 A 51 51 ASP HA H 54 4.010 4.473 -0.463 1
1 661 . 19 1 1 A 51 51 ASP CB C 54 40.200 39.654 0.546 1
1 664 . 19 1 1 A 51 51 ASP C C 54 176.300 176.861 -0.561 1
1 665 . 19 1 1 A 52 52 GLU N N 55 116.900 118.631 -1.731 1
1 666 . 19 1 1 A 52 52 GLU H H 55 7.100 7.892 -0.792 1
1 667 . 19 1 1 A 52 52 GLU CA C 55 56.000 56.451 -0.451 1
1 668 . 19 1 1 A 52 52 GLU HA H 55 4.200 4.333 -0.133 1
1 669 . 19 1 1 A 52 52 GLU CB C 55 30.000 29.750 0.250 1
1 675 . 19 1 1 A 52 52 GLU C C 55 175.700 176.657 -0.957 1
1 676 . 19 1 1 A 53 53 GLU N N 56 120.300 120.021 0.279 1
1 677 . 19 1 1 A 53 53 GLU H H 56 7.570 7.740 -0.170 1
1 678 . 19 1 1 A 53 53 GLU CA C 56 57.400 55.541 1.859 1
1 679 . 19 1 1 A 53 53 GLU HA H 56 4.090 4.577 -0.487 1
1 680 . 19 1 1 A 53 53 GLU CB C 56 30.300 30.997 -0.697 1
1 686 . 19 1 1 A 53 53 GLU C C 56 175.400 176.224 -0.824 1
1 687 . 19 1 1 A 54 54 GLU N N 57 123.400 121.844 1.556 1
1 688 . 19 1 1 A 54 54 GLU H H 57 8.430 8.573 -0.143 1
1 689 . 19 1 1 A 54 54 GLU CA C 57 56.500 57.005 -0.505 1
1 690 . 19 1 1 A 54 54 GLU HA H 57 4.320 4.389 -0.069 1
1 691 . 19 1 1 A 54 54 GLU CB C 57 32.200 30.701 1.499 1
1 697 . 19 1 1 A 54 54 GLU C C 57 174.300 176.124 -1.824 1
1 698 . 19 1 1 A 55 55 ILE N N 58 122.000 121.681 0.319 1
1 699 . 19 1 1 A 55 55 ILE H H 58 7.850 8.293 -0.443 1
1 700 . 19 1 1 A 55 55 ILE CA C 58 60.400 60.184 0.216 1
1 701 . 19 1 1 A 55 55 ILE HA H 58 3.770 4.710 -0.940 1
1 702 . 19 1 1 A 55 55 ILE CB C 58 40.100 39.262 0.838 1
1 715 . 19 1 1 A 55 55 ILE C C 58 172.900 175.391 -2.491 1
1 716 . 19 1 1 A 56 56 PHE N N 59 124.500 123.226 1.274 1
1 717 . 19 1 1 A 56 56 PHE H H 59 8.970 8.617 0.353 1
1 718 . 19 1 1 A 56 56 PHE CA C 59 55.900 54.897 1.003 1
1 719 . 19 1 1 A 56 56 PHE HA H 59 4.820 5.564 -0.744 1
1 720 . 19 1 1 A 56 56 PHE CB C 59 41.900 42.096 -0.196 1
1 727 . 19 1 1 A 56 56 PHE C C 59 175.100 172.634 2.466 1
1 728 . 19 1 1 A 57 57 ASP N N 60 117.300 121.929 -4.629 1
1 729 . 19 1 1 A 57 57 ASP H H 60 8.320 8.864 -0.544 1
1 730 . 19 1 1 A 57 57 ASP CA C 60 56.400 55.576 0.824 1
1 731 . 19 1 1 A 57 57 ASP HA H 60 4.630 4.481 0.149 1
1 732 . 19 1 1 A 57 57 ASP CB C 60 42.700 40.791 1.909 1
1 735 . 19 1 1 A 57 57 ASP C C 60 177.900 177.036 0.864 1
1 736 . 19 1 1 A 58 58 GLY N N 61 114.600 114.137 0.463 1
1 737 . 19 1 1 A 58 58 GLY H H 61 9.700 9.425 0.275 1
1 738 . 19 1 1 A 58 58 GLY CA C 61 45.100 45.434 -0.334 1
1 739 . 19 1 1 A 58 58 GLY HA2 H 61 4.420 3.928 0.492 1
1 740 . 19 1 1 A 58 58 GLY HA3 H 61 3.770 3.976 -0.206 1
1 741 . 19 1 1 A 58 58 GLY C C 61 174.900 173.774 1.126 1
1 742 . 19 1 1 A 59 59 ASP N N 62 122.200 121.174 1.026 1
1 743 . 19 1 1 A 59 59 ASP H H 62 8.350 7.591 0.759 1
1 744 . 19 1 1 A 59 59 ASP CA C 62 55.900 53.398 2.502 1
1 745 . 19 1 1 A 59 59 ASP HA H 62 4.940 4.486 0.454 1
1 746 . 19 1 1 A 59 59 ASP CB C 62 42.500 41.580 0.920 1
1 749 . 19 1 1 A 59 59 ASP C C 62 176.000 175.359 0.641 1
1 750 . 19 1 1 A 60 60 ILE N N 63 119.100 123.550 -4.450 1
1 751 . 19 1 1 A 60 60 ILE H H 63 8.400 8.578 -0.178 1
1 752 . 19 1 1 A 60 60 ILE CA C 63 60.700 60.304 0.396 1
1 753 . 19 1 1 A 60 60 ILE HA H 63 4.690 4.918 -0.228 1
1 754 . 19 1 1 A 60 60 ILE CB C 63 39.700 40.219 -0.519 1
1 767 . 19 1 1 A 60 60 ILE C C 63 175.400 174.603 0.797 1
1 768 . 19 1 1 A 61 61 ILE N N 64 130.300 129.429 0.871 1
1 769 . 19 1 1 A 61 61 ILE H H 64 9.550 9.450 0.100 1
1 770 . 19 1 1 A 61 61 ILE CA C 64 58.300 60.470 -2.170 1
1 771 . 19 1 1 A 61 61 ILE HA H 64 5.230 4.860 0.370 1
1 772 . 19 1 1 A 61 61 ILE CB C 64 38.700 38.827 -0.127 1
1 785 . 19 1 1 A 61 61 ILE C C 64 174.400 174.894 -0.494 1
1 786 . 19 1 1 A 62 62 GLU N N 65 126.800 127.937 -1.137 1
1 787 . 19 1 1 A 62 62 GLU H H 65 9.340 9.260 0.080 1
1 788 . 19 1 1 A 62 62 GLU CA C 65 54.500 55.569 -1.069 1
1 789 . 19 1 1 A 62 62 GLU HA H 65 5.080 4.809 0.271 1
1 790 . 19 1 1 A 62 62 GLU CB C 65 33.300 30.300 3.000 1
1 796 . 19 1 1 A 62 62 GLU C C 65 174.300 175.416 -1.116 1
1 797 . 19 1 1 A 63 63 VAL N N 66 124.300 126.104 -1.804 1
1 798 . 19 1 1 A 63 63 VAL H H 66 8.710 8.593 0.117 1
1 799 . 19 1 1 A 63 63 VAL CA C 66 61.900 61.995 -0.095 1
1 800 . 19 1 1 A 63 63 VAL HA H 66 4.420 4.698 -0.278 1
1 801 . 19 1 1 A 63 63 VAL CB C 66 32.600 32.101 0.499 1
1 811 . 19 1 1 A 63 63 VAL C C 66 175.300 174.986 0.314 1
1 812 . 19 1 1 A 64 64 ILE N N 67 131.200 128.846 2.354 1
1 813 . 19 1 1 A 64 64 ILE H H 67 9.180 9.490 -0.310 1
1 814 . 19 1 1 A 64 64 ILE CA C 67 60.200 60.600 -0.400 1
1 815 . 19 1 1 A 64 64 ILE HA H 67 4.360 4.652 -0.292 1
1 816 . 19 1 1 A 64 64 ILE CB C 67 40.400 37.216 3.184 1
1 829 . 19 1 1 A 64 64 ILE C C 67 175.300 175.500 -0.200 1
1 830 . 19 1 1 A 65 65 ARG N N 68 126.900 127.561 -0.661 1
1 831 . 19 1 1 A 65 65 ARG H H 68 9.020 8.388 0.632 1
1 832 . 19 1 1 A 65 65 ARG CA C 68 57.200 56.313 0.887 1
1 833 . 19 1 1 A 65 65 ARG HA H 68 4.480 4.270 0.210 1
1 834 . 19 1 1 A 65 65 ARG CB C 68 30.500 30.331 0.169 1
1 843 . 19 1 1 A 65 65 ARG C C 68 176.800 175.453 1.347 1
1 844 . 19 1 1 A 66 66 VAL N N 69 122.300 123.961 -1.661 1
1 845 . 19 1 1 A 66 66 VAL H H 69 8.280 8.437 -0.157 1
1 846 . 19 1 1 A 66 66 VAL CA C 69 62.200 62.210 -0.010 1
1 847 . 19 1 1 A 66 66 VAL HA H 69 4.100 4.277 -0.177 1
1 848 . 19 1 1 A 66 66 VAL CB C 69 32.800 33.112 -0.312 1
1 858 . 19 1 1 A 66 66 VAL C C 69 175.500 175.507 -0.007 1
1 859 . 19 1 1 A 67 67 ILE N N 70 124.000 127.738 -3.738 1
1 860 . 19 1 1 A 67 67 ILE H H 70 7.930 8.307 -0.377 1
1 861 . 19 1 1 A 67 67 ILE CA C 70 60.300 61.044 -0.744 1
1 862 . 19 1 1 A 67 67 ILE HA H 70 4.210 4.463 -0.253 1
1 863 . 19 1 1 A 67 67 ILE CB C 70 38.900 38.799 0.101 1
1 876 . 19 1 1 A 67 67 ILE C C 70 175.500 174.876 0.624 1
1 877 . 19 1 1 A 68 68 TYR N N 71 126.200 131.550 -5.350 1
1 878 . 19 1 1 A 68 68 TYR H H 71 8.450 9.115 -0.665 1
1 879 . 19 1 1 A 68 68 TYR CA C 71 57.900 56.398 1.502 1
1 880 . 19 1 1 A 68 68 TYR HA H 71 4.590 4.950 -0.360 1
1 881 . 19 1 1 A 68 68 TYR CB C 71 39.000 38.472 0.528 1
1 886 . 19 1 1 A 68 68 TYR C C 71 176.200 175.400 0.800 1
1 887 . 19 1 1 A 69 69 GLY N N 72 112.000 113.993 -1.993 1
1 888 . 19 1 1 A 69 69 GLY H H 72 8.370 8.369 0.001 1
1 889 . 19 1 1 A 69 69 GLY CA C 72 45.300 46.814 -1.514 1
1 890 . 19 1 1 A 69 69 GLY HA2 H 72 3.910 3.855 0.055 1
1 891 . 19 1 1 A 69 69 GLY HA3 H 72 3.910 3.912 -0.002 1
1 892 . 19 1 1 A 69 69 GLY C C 72 173.500 174.192 -0.692 1
1 10 . 20 1 1 A 2 2 VAL N N 5 122.400 125.004 -2.604 1
1 11 . 20 1 1 A 2 2 VAL H H 5 8.290 8.693 -0.403 1
1 12 . 20 1 1 A 2 2 VAL CA C 5 62.400 62.602 -0.202 1
1 13 . 20 1 1 A 2 2 VAL HA H 5 4.120 4.195 -0.075 1
1 14 . 20 1 1 A 2 2 VAL CB C 5 32.600 31.139 1.461 1
1 24 . 20 1 1 A 2 2 VAL C C 5 175.700 174.785 0.915 1
1 25 . 20 1 1 A 3 3 ILE N N 6 125.000 128.310 -3.310 1
1 26 . 20 1 1 A 3 3 ILE H H 6 8.240 8.869 -0.629 1
1 27 . 20 1 1 A 3 3 ILE CA C 6 60.900 59.303 1.597 1
1 28 . 20 1 1 A 3 3 ILE HA H 6 4.210 4.837 -0.627 1
1 29 . 20 1 1 A 3 3 ILE CB C 6 38.700 40.111 -1.411 1
1 42 . 20 1 1 A 3 3 ILE C C 6 176.000 174.901 1.099 1
1 43 . 20 1 1 A 4 4 GLY N N 7 112.900 114.708 -1.808 1
1 44 . 20 1 1 A 4 4 GLY H H 7 8.330 8.394 -0.064 1
1 45 . 20 1 1 A 4 4 GLY CA C 7 45.300 43.966 1.334 1
1 46 . 20 1 1 A 4 4 GLY HA2 H 7 4.140 4.134 0.006 1
1 47 . 20 1 1 A 4 4 GLY HA3 H 7 4.020 4.135 -0.115 1
1 48 . 20 1 1 A 4 4 GLY C C 7 172.800 171.874 0.926 1
1 49 . 20 1 1 A 5 5 MET N N 8 118.400 116.658 1.742 1
1 50 . 20 1 1 A 5 5 MET H H 8 8.540 8.490 0.050 1
1 51 . 20 1 1 A 5 5 MET CA C 8 54.800 54.497 0.303 1
1 52 . 20 1 1 A 5 5 MET HA H 8 4.820 5.320 -0.500 1
1 53 . 20 1 1 A 5 5 MET CB C 8 35.500 36.076 -0.576 1
1 63 . 20 1 1 A 5 5 MET C C 8 174.100 173.686 0.414 1
1 64 . 20 1 1 A 6 6 LYS N N 9 122.000 123.861 -1.861 1
1 65 . 20 1 1 A 6 6 LYS H H 9 9.150 9.061 0.089 1
1 66 . 20 1 1 A 6 6 LYS CA C 9 55.100 54.991 0.109 1
1 67 . 20 1 1 A 6 6 LYS HA H 9 5.430 4.972 0.458 1
1 68 . 20 1 1 A 6 6 LYS CB C 9 36.100 34.534 1.566 1
1 80 . 20 1 1 A 6 6 LYS C C 9 174.500 175.776 -1.276 1
1 81 . 20 1 1 A 7 7 PHE N N 10 119.300 122.519 -3.219 1
1 82 . 20 1 1 A 7 7 PHE H H 10 8.670 8.340 0.330 1
1 83 . 20 1 1 A 7 7 PHE CA C 10 55.700 55.850 -0.150 1
1 84 . 20 1 1 A 7 7 PHE HA H 10 5.190 5.526 -0.336 1
1 85 . 20 1 1 A 7 7 PHE CB C 10 40.100 42.677 -2.577 1
1 92 . 20 1 1 A 7 7 PHE C C 10 172.400 172.852 -0.452 1
1 93 . 20 1 1 A 8 8 THR N N 11 116.500 115.856 0.644 1
1 94 . 20 1 1 A 8 8 THR H H 11 8.440 8.924 -0.484 1
1 95 . 20 1 1 A 8 8 THR CA C 11 62.200 61.423 0.777 1
1 96 . 20 1 1 A 8 8 THR HA H 11 5.070 4.880 0.190 1
1 97 . 20 1 1 A 8 8 THR CB C 11 70.800 70.275 0.525 1
1 103 . 20 1 1 A 8 8 THR C C 11 173.300 173.106 0.194 1
1 104 . 20 1 1 A 9 9 VAL N N 12 126.200 127.764 -1.564 1
1 105 . 20 1 1 A 9 9 VAL H H 12 9.400 9.623 -0.223 1
1 106 . 20 1 1 A 9 9 VAL CA C 12 60.700 59.957 0.743 1
1 107 . 20 1 1 A 9 9 VAL HA H 12 5.090 5.894 -0.804 1
1 108 . 20 1 1 A 9 9 VAL CB C 12 34.100 34.181 -0.081 1
1 118 . 20 1 1 A 9 9 VAL C C 12 174.500 174.425 0.075 1
1 119 . 20 1 1 A 10 10 ILE N N 13 129.600 130.131 -0.531 1
1 120 . 20 1 1 A 10 10 ILE H H 13 9.560 8.505 1.055 1
1 121 . 20 1 1 A 10 10 ILE CA C 13 61.400 60.407 0.993 1
1 122 . 20 1 1 A 10 10 ILE HA H 13 4.640 4.687 -0.047 1
1 123 . 20 1 1 A 10 10 ILE CB C 13 39.700 39.386 0.314 1
1 136 . 20 1 1 A 10 10 ILE C C 13 175.200 174.377 0.823 1
1 137 . 20 1 1 A 11 11 THR N N 14 116.800 125.498 -8.698 1
1 138 . 20 1 1 A 11 11 THR H H 14 8.430 8.836 -0.406 1
1 139 . 20 1 1 A 11 11 THR CA C 14 59.200 60.880 -1.680 1
1 140 . 20 1 1 A 11 11 THR HA H 14 5.160 4.782 0.378 1
1 141 . 20 1 1 A 11 11 THR CB C 14 71.900 72.685 -0.785 1
1 147 . 20 1 1 A 11 11 THR C C 14 175.800 174.779 1.021 1
1 148 . 20 1 1 A 12 12 ASP N N 15 120.000 122.502 -2.502 1
1 149 . 20 1 1 A 12 12 ASP H H 15 9.010 9.105 -0.095 1
1 150 . 20 1 1 A 12 12 ASP CA C 15 56.900 56.109 0.791 1
1 151 . 20 1 1 A 12 12 ASP HA H 15 4.440 4.479 -0.039 1
1 152 . 20 1 1 A 12 12 ASP CB C 15 40.900 40.189 0.711 1
1 155 . 20 1 1 A 12 12 ASP C C 15 176.600 176.134 0.466 1
1 156 . 20 1 1 A 13 13 ASP N N 16 115.300 116.514 -1.214 1
1 157 . 20 1 1 A 13 13 ASP H H 16 8.090 7.992 0.098 1
1 158 . 20 1 1 A 13 13 ASP CA C 16 53.400 53.296 0.104 1
1 159 . 20 1 1 A 13 13 ASP HA H 16 4.730 4.536 0.194 1
1 160 . 20 1 1 A 13 13 ASP CB C 16 41.800 40.134 1.666 1
1 163 . 20 1 1 A 13 13 ASP C C 16 175.700 176.045 -0.345 1
1 164 . 20 1 1 A 14 14 GLY N N 17 108.000 108.228 -0.228 1
1 165 . 20 1 1 A 14 14 GLY H H 17 7.610 7.219 0.391 1
1 166 . 20 1 1 A 14 14 GLY CA C 17 44.900 43.830 1.070 1
1 167 . 20 1 1 A 14 14 GLY HA2 H 17 4.450 4.052 0.398 1
1 168 . 20 1 1 A 14 14 GLY HA3 H 17 3.860 4.055 -0.195 1
1 169 . 20 1 1 A 14 14 GLY C C 17 171.800 172.065 -0.265 1
1 170 . 20 1 1 A 15 15 LYS N N 18 120.600 121.187 -0.587 1
1 171 . 20 1 1 A 15 15 LYS H H 18 8.430 8.354 0.076 1
1 172 . 20 1 1 A 15 15 LYS CA C 18 55.400 55.671 -0.271 1
1 173 . 20 1 1 A 15 15 LYS HA H 18 5.080 4.560 0.520 1
1 174 . 20 1 1 A 15 15 LYS CB C 18 34.600 33.649 0.951 1
1 186 . 20 1 1 A 15 15 LYS C C 18 175.600 175.131 0.469 1
1 187 . 20 1 1 A 16 16 LYS N N 19 125.700 127.980 -2.280 1
1 188 . 20 1 1 A 16 16 LYS H H 19 9.160 9.253 -0.093 1
1 189 . 20 1 1 A 16 16 LYS CA C 19 55.000 54.966 0.034 1
1 190 . 20 1 1 A 16 16 LYS HA H 19 4.620 4.758 -0.138 1
1 191 . 20 1 1 A 16 16 LYS CB C 19 36.100 33.575 2.525 1
1 201 . 20 1 1 A 16 16 LYS C C 19 174.000 174.945 -0.945 1
1 202 . 20 1 1 A 17 17 ILE N N 20 123.800 128.402 -4.602 1
1 203 . 20 1 1 A 17 17 ILE H H 20 8.420 8.608 -0.188 1
1 204 . 20 1 1 A 17 17 ILE CA C 20 60.400 60.931 -0.531 1
1 205 . 20 1 1 A 17 17 ILE HA H 20 4.620 4.531 0.089 1
1 206 . 20 1 1 A 17 17 ILE CB C 20 37.900 39.620 -1.720 1
1 219 . 20 1 1 A 17 17 ILE C C 20 175.700 175.082 0.618 1
1 220 . 20 1 1 A 18 18 LEU N N 21 130.500 124.505 5.995 1
1 221 . 20 1 1 A 18 18 LEU H H 21 8.600 8.728 -0.128 1
1 222 . 20 1 1 A 18 18 LEU CA C 21 53.500 53.059 0.441 1
1 223 . 20 1 1 A 18 18 LEU HA H 21 4.490 4.994 -0.504 1
1 224 . 20 1 1 A 18 18 LEU CB C 21 44.500 45.852 -1.352 1
1 236 . 20 1 1 A 18 18 LEU C C 21 174.000 174.326 -0.326 1
1 237 . 20 1 1 A 19 19 GLU N N 22 116.200 119.493 -3.293 1
1 238 . 20 1 1 A 19 19 GLU H H 22 7.940 8.439 -0.499 1
1 239 . 20 1 1 A 19 19 GLU CA C 22 53.800 54.651 -0.851 1
1 240 . 20 1 1 A 19 19 GLU HA H 22 5.280 4.993 0.287 1
1 241 . 20 1 1 A 19 19 GLU CB C 22 33.400 33.604 -0.204 1
1 247 . 20 1 1 A 19 19 GLU C C 22 176.600 174.637 1.963 1
1 248 . 20 1 1 A 20 20 SER N N 23 114.700 121.284 -6.584 1
1 249 . 20 1 1 A 20 20 SER H H 23 8.630 8.895 -0.265 1
1 250 . 20 1 1 A 20 20 SER CA C 23 57.400 57.953 -0.553 1
1 251 . 20 1 1 A 20 20 SER HA H 23 4.780 5.035 -0.255 1
1 252 . 20 1 1 A 20 20 SER CB C 23 65.900 65.723 0.177 1
1 255 . 20 1 1 A 20 20 SER C C 23 174.100 175.103 -1.003 1
1 256 . 20 1 1 A 21 21 GLY N N 24 109.400 112.270 -2.870 1
1 257 . 20 1 1 A 21 21 GLY H H 24 8.340 8.736 -0.396 1
1 258 . 20 1 1 A 21 21 GLY CA C 24 45.100 46.780 -1.680 1
1 259 . 20 1 1 A 21 21 GLY HA2 H 24 4.470 3.878 0.592 1
1 260 . 20 1 1 A 21 21 GLY HA3 H 24 3.790 3.884 -0.094 1
1 261 . 20 1 1 A 21 21 GLY C C 24 172.600 173.911 -1.311 1
1 262 . 20 1 1 A 22 22 ALA N N 25 122.500 121.422 1.078 1
1 263 . 20 1 1 A 22 22 ALA H H 25 7.790 7.746 0.044 1
1 264 . 20 1 1 A 22 22 ALA CA C 25 49.900 49.798 0.102 1
1 265 . 20 1 1 A 22 22 ALA HA H 25 4.780 4.846 -0.066 1
1 269 . 20 1 1 A 22 22 ALA CB C 25 20.600 21.821 -1.221 1
1 271 . 20 1 1 A 23 23 PRO CA C 26 63.700 62.598 1.102 1
1 272 . 20 1 1 A 23 23 PRO HA H 26 4.400 4.828 -0.428 1
1 273 . 20 1 1 A 23 23 PRO CB C 26 31.900 32.570 -0.670 1
1 281 . 20 1 1 A 23 23 PRO C C 26 176.500 175.849 0.651 1
1 282 . 20 1 1 A 24 24 ARG N N 27 120.200 121.442 -1.242 1
1 283 . 20 1 1 A 24 24 ARG H H 27 7.810 7.900 -0.090 1
1 284 . 20 1 1 A 24 24 ARG CA C 27 53.800 54.182 -0.382 1
1 285 . 20 1 1 A 24 24 ARG HA H 27 4.680 4.741 -0.061 1
1 286 . 20 1 1 A 24 24 ARG CB C 27 35.600 34.643 0.957 1
1 295 . 20 1 1 A 24 24 ARG C C 27 174.300 174.124 0.176 1
1 296 . 20 1 1 A 25 25 ARG N N 28 119.300 121.395 -2.095 1
1 297 . 20 1 1 A 25 25 ARG H H 28 8.900 8.703 0.197 1
1 298 . 20 1 1 A 25 25 ARG CA C 28 54.200 55.258 -1.058 1
1 299 . 20 1 1 A 25 25 ARG HA H 28 4.870 4.443 0.427 1
1 300 . 20 1 1 A 25 25 ARG CB C 28 32.200 31.871 0.329 1
1 309 . 20 1 1 A 25 25 ARG C C 28 178.300 177.268 1.032 1
1 310 . 20 1 1 A 26 26 ILE N N 29 123.500 125.443 -1.943 1
1 311 . 20 1 1 A 26 26 ILE H H 29 8.630 9.336 -0.706 1
1 312 . 20 1 1 A 26 26 ILE CA C 29 65.200 65.158 0.042 1
1 313 . 20 1 1 A 26 26 ILE HA H 29 3.410 3.618 -0.208 1
1 314 . 20 1 1 A 26 26 ILE CB C 29 36.500 37.495 -0.995 1
1 327 . 20 1 1 A 26 26 ILE C C 29 178.600 178.054 0.546 1
1 328 . 20 1 1 A 27 27 LYS N N 30 115.100 120.797 -5.697 1
1 329 . 20 1 1 A 27 27 LYS H H 30 8.900 7.854 1.046 1
1 330 . 20 1 1 A 27 27 LYS CA C 30 59.300 58.958 0.342 1
1 331 . 20 1 1 A 27 27 LYS HA H 30 3.900 3.920 -0.020 1
1 332 . 20 1 1 A 27 27 LYS CB C 30 31.700 32.126 -0.426 1
1 344 . 20 1 1 A 27 27 LYS C C 30 178.000 177.821 0.179 1
1 345 . 20 1 1 A 28 28 ASP N N 31 119.700 119.792 -0.092 1
1 346 . 20 1 1 A 28 28 ASP H H 31 7.180 8.097 -0.917 1
1 347 . 20 1 1 A 28 28 ASP CA C 31 56.900 57.297 -0.397 1
1 348 . 20 1 1 A 28 28 ASP HA H 31 4.480 4.390 0.090 1
1 349 . 20 1 1 A 28 28 ASP CB C 31 41.300 41.013 0.287 1
1 352 . 20 1 1 A 28 28 ASP C C 31 178.600 178.512 0.088 1
1 353 . 20 1 1 A 29 29 VAL N N 32 122.100 118.511 3.589 1
1 354 . 20 1 1 A 29 29 VAL H H 32 7.410 7.487 -0.077 1
1 355 . 20 1 1 A 29 29 VAL CA C 32 65.900 66.552 -0.652 1
1 356 . 20 1 1 A 29 29 VAL HA H 32 3.730 3.578 0.152 1
1 357 . 20 1 1 A 29 29 VAL CB C 32 32.000 31.394 0.606 1
1 367 . 20 1 1 A 29 29 VAL C C 32 177.600 178.162 -0.562 1
1 368 . 20 1 1 A 30 30 LEU N N 33 118.000 120.652 -2.652 1
1 369 . 20 1 1 A 30 30 LEU H H 33 8.380 8.602 -0.222 1
1 370 . 20 1 1 A 30 30 LEU CA C 33 58.500 57.780 0.720 1
1 371 . 20 1 1 A 30 30 LEU HA H 33 3.910 3.961 -0.051 1
1 372 . 20 1 1 A 30 30 LEU CB C 33 39.200 41.765 -2.565 1
1 385 . 20 1 1 A 30 30 LEU C C 33 179.200 178.991 0.209 1
1 386 . 20 1 1 A 31 31 GLY N N 34 104.500 106.717 -2.217 1
1 387 . 20 1 1 A 31 31 GLY H H 34 7.730 8.332 -0.602 1
1 388 . 20 1 1 A 31 31 GLY CA C 34 47.100 47.301 -0.201 1
1 389 . 20 1 1 A 31 31 GLY HA2 H 34 3.940 3.746 0.194 1
1 390 . 20 1 1 A 31 31 GLY HA3 H 34 3.940 3.748 0.192 1
1 391 . 20 1 1 A 31 31 GLY C C 34 177.500 175.889 1.611 1
1 392 . 20 1 1 A 32 32 GLU N N 35 124.300 122.548 1.752 1
1 393 . 20 1 1 A 32 32 GLU H H 35 7.750 7.892 -0.142 1
1 394 . 20 1 1 A 32 32 GLU CA C 35 59.100 59.261 -0.161 1
1 395 . 20 1 1 A 32 32 GLU HA H 35 4.130 4.026 0.104 1
1 396 . 20 1 1 A 32 32 GLU CB C 35 29.800 29.618 0.182 1
1 402 . 20 1 1 A 32 32 GLU C C 35 178.300 178.311 -0.011 1
1 403 . 20 1 1 A 33 33 LEU N N 36 117.300 117.903 -0.603 1
1 404 . 20 1 1 A 33 33 LEU H H 36 7.750 7.629 0.121 1
1 405 . 20 1 1 A 33 33 LEU CA C 36 55.000 55.022 -0.022 1
1 406 . 20 1 1 A 33 33 LEU HA H 36 4.270 4.248 0.022 1
1 407 . 20 1 1 A 33 33 LEU CB C 36 42.100 42.297 -0.197 1
1 420 . 20 1 1 A 33 33 LEU C C 36 175.200 176.374 -1.174 1
1 421 . 20 1 1 A 34 34 GLU N N 37 115.500 119.061 -3.561 1
1 422 . 20 1 1 A 34 34 GLU H H 37 7.780 7.946 -0.166 1
1 423 . 20 1 1 A 34 34 GLU CA C 37 57.200 57.316 -0.116 1
1 424 . 20 1 1 A 34 34 GLU HA H 37 3.830 3.996 -0.166 1
1 425 . 20 1 1 A 34 34 GLU CB C 37 26.700 28.155 -1.455 1
1 431 . 20 1 1 A 34 34 GLU C C 37 175.300 175.160 0.140 1
1 432 . 20 1 1 A 35 35 ILE N N 38 121.300 120.395 0.905 1
1 433 . 20 1 1 A 35 35 ILE H H 38 8.010 7.578 0.432 1
1 434 . 20 1 1 A 35 35 ILE CA C 38 58.300 57.355 0.945 1
1 435 . 20 1 1 A 35 35 ILE HA H 38 4.410 4.557 -0.147 1
1 436 . 20 1 1 A 35 35 ILE CB C 38 40.300 40.953 -0.653 1
1 450 . 20 1 1 A 36 36 PRO CA C 39 62.400 62.782 -0.382 1
1 451 . 20 1 1 A 36 36 PRO HA H 39 4.470 4.629 -0.159 1
1 452 . 20 1 1 A 36 36 PRO CB C 39 31.600 31.536 0.064 1
1 460 . 20 1 1 A 36 36 PRO C C 39 179.200 177.617 1.583 1
1 461 . 20 1 1 A 37 37 ILE N N 40 127.500 125.888 1.612 1
1 462 . 20 1 1 A 37 37 ILE H H 40 8.350 8.856 -0.506 1
1 463 . 20 1 1 A 37 37 ILE CA C 40 63.700 63.016 0.684 1
1 464 . 20 1 1 A 37 37 ILE HA H 40 3.750 4.161 -0.411 1
1 465 . 20 1 1 A 37 37 ILE CB C 40 38.600 37.923 0.677 1
1 478 . 20 1 1 A 37 37 ILE C C 40 176.100 177.156 -1.056 1
1 479 . 20 1 1 A 38 38 GLU N N 41 118.500 121.948 -3.448 1
1 480 . 20 1 1 A 38 38 GLU H H 41 9.370 7.855 1.515 1
1 481 . 20 1 1 A 38 38 GLU CA C 41 58.400 58.971 -0.571 1
1 482 . 20 1 1 A 38 38 GLU HA H 41 4.330 4.073 0.257 1
1 483 . 20 1 1 A 38 38 GLU CB C 41 28.500 29.657 -1.157 1
1 489 . 20 1 1 A 38 38 GLU C C 41 177.600 178.222 -0.622 1
1 490 . 20 1 1 A 39 39 THR N N 42 107.400 112.923 -5.523 1
1 491 . 20 1 1 A 39 39 THR H H 42 7.810 7.633 0.177 1
1 492 . 20 1 1 A 39 39 THR CA C 42 61.600 63.873 -2.273 1
1 493 . 20 1 1 A 39 39 THR HA H 42 4.520 4.413 0.107 1
1 494 . 20 1 1 A 39 39 THR CB C 42 70.300 69.999 0.301 1
1 500 . 20 1 1 A 39 39 THR C C 42 174.000 173.998 0.002 1
1 501 . 20 1 1 A 40 40 VAL N N 43 112.000 117.675 -5.675 1
1 502 . 20 1 1 A 40 40 VAL H H 43 7.230 7.080 0.150 1
1 503 . 20 1 1 A 40 40 VAL CA C 43 59.100 59.418 -0.318 1
1 504 . 20 1 1 A 40 40 VAL HA H 43 5.420 4.850 0.570 1
1 505 . 20 1 1 A 40 40 VAL CB C 43 36.400 34.631 1.769 1
1 515 . 20 1 1 A 40 40 VAL C C 43 175.200 174.512 0.688 1
1 516 . 20 1 1 A 41 41 VAL N N 44 120.400 124.636 -4.236 1
1 517 . 20 1 1 A 41 41 VAL H H 44 9.080 8.874 0.206 1
1 518 . 20 1 1 A 41 41 VAL CA C 44 61.500 61.281 0.219 1
1 519 . 20 1 1 A 41 41 VAL HA H 44 4.230 4.506 -0.276 1
1 520 . 20 1 1 A 41 41 VAL CB C 44 34.600 33.799 0.801 1
1 530 . 20 1 1 A 41 41 VAL C C 44 174.000 174.332 -0.332 1
1 531 . 20 1 1 A 42 42 VAL N N 45 123.400 128.144 -4.744 1
1 532 . 20 1 1 A 42 42 VAL H H 45 8.820 8.974 -0.154 1
1 533 . 20 1 1 A 42 42 VAL CA C 45 60.000 60.019 -0.019 1
1 534 . 20 1 1 A 42 42 VAL HA H 45 5.120 5.015 0.105 1
1 535 . 20 1 1 A 42 42 VAL CB C 45 34.300 34.033 0.267 1
1 545 . 20 1 1 A 42 42 VAL C C 45 174.700 174.043 0.657 1
1 546 . 20 1 1 A 43 43 LYS N N 46 121.700 128.205 -6.505 1
1 547 . 20 1 1 A 43 43 LYS H H 46 8.920 9.275 -0.355 1
1 548 . 20 1 1 A 43 43 LYS CA C 46 53.800 54.146 -0.346 1
1 549 . 20 1 1 A 43 43 LYS HA H 46 5.180 5.287 -0.107 1
1 550 . 20 1 1 A 43 43 LYS CB C 46 36.900 35.705 1.195 1
1 562 . 20 1 1 A 43 43 LYS C C 46 175.600 175.262 0.338 1
1 563 . 20 1 1 A 44 44 LYS N N 47 122.300 122.091 0.209 1
1 564 . 20 1 1 A 44 44 LYS H H 47 9.240 9.274 -0.034 1
1 565 . 20 1 1 A 44 44 LYS CA C 47 54.400 54.742 -0.342 1
1 566 . 20 1 1 A 44 44 LYS HA H 47 5.190 4.764 0.426 1
1 567 . 20 1 1 A 44 44 LYS CB C 47 36.100 32.832 3.268 1
1 578 . 20 1 1 A 44 44 LYS C C 47 176.000 176.919 -0.919 1
1 579 . 20 1 1 A 45 45 ASN N N 48 129.600 123.168 6.432 1
1 580 . 20 1 1 A 45 45 ASN H H 48 9.980 9.386 0.594 1
1 581 . 20 1 1 A 45 45 ASN CA C 48 54.300 54.067 0.233 1
1 582 . 20 1 1 A 45 45 ASN HA H 48 4.490 4.375 0.115 1
1 583 . 20 1 1 A 45 45 ASN CB C 48 37.200 37.628 -0.428 1
1 589 . 20 1 1 A 45 45 ASN C C 48 175.800 174.405 1.395 1
1 590 . 20 1 1 A 46 46 GLY N N 49 103.200 105.412 -2.212 1
1 591 . 20 1 1 A 46 46 GLY H H 49 9.340 9.048 0.292 1
1 592 . 20 1 1 A 46 46 GLY CA C 49 45.200 45.264 -0.064 1
1 593 . 20 1 1 A 46 46 GLY HA2 H 49 4.300 3.843 0.457 1
1 594 . 20 1 1 A 46 46 GLY HA3 H 49 3.650 3.844 -0.194 1
1 595 . 20 1 1 A 46 46 GLY C C 49 173.600 173.589 0.011 1
1 596 . 20 1 1 A 47 47 GLN N N 50 119.700 119.647 0.053 1
1 597 . 20 1 1 A 47 47 GLN H H 50 7.690 7.651 0.039 1
1 598 . 20 1 1 A 47 47 GLN CA C 50 53.500 55.209 -1.709 1
1 599 . 20 1 1 A 47 47 GLN HA H 50 4.770 4.474 0.296 1
1 600 . 20 1 1 A 47 47 GLN CB C 50 31.300 29.680 1.620 1
1 606 . 20 1 1 A 47 47 GLN C C 50 175.000 175.868 -0.868 1
1 607 . 20 1 1 A 48 48 ILE N N 51 125.800 124.383 1.417 1
1 608 . 20 1 1 A 48 48 ILE H H 51 8.790 8.564 0.226 1
1 609 . 20 1 1 A 48 48 ILE CA C 51 63.000 62.416 0.584 1
1 610 . 20 1 1 A 48 48 ILE HA H 51 4.380 4.262 0.118 1
1 611 . 20 1 1 A 48 48 ILE CB C 51 37.400 37.763 -0.363 1
1 624 . 20 1 1 A 48 48 ILE C C 51 176.500 175.953 0.547 1
1 625 . 20 1 1 A 49 49 VAL N N 52 121.900 121.211 0.689 1
1 626 . 20 1 1 A 49 49 VAL H H 52 8.290 8.843 -0.553 1
1 627 . 20 1 1 A 49 49 VAL CA C 52 58.900 59.485 -0.585 1
1 628 . 20 1 1 A 49 49 VAL HA H 52 4.860 5.070 -0.210 1
1 629 . 20 1 1 A 49 49 VAL CB C 52 35.700 36.187 -0.487 1
1 639 . 20 1 1 A 50 50 ILE N N 53 114.600 116.755 -2.155 1
1 640 . 20 1 1 A 50 50 ILE H H 53 8.020 8.209 -0.189 1
1 641 . 20 1 1 A 50 50 ILE CA C 53 60.500 58.590 1.910 1
1 642 . 20 1 1 A 50 50 ILE HA H 53 4.610 4.528 0.082 1
1 643 . 20 1 1 A 50 50 ILE CB C 53 39.500 40.386 -0.886 1
1 656 . 20 1 1 A 50 50 ILE C C 53 177.000 176.529 0.471 1
1 657 . 20 1 1 A 51 51 ASP N N 54 118.300 120.995 -2.695 1
1 658 . 20 1 1 A 51 51 ASP H H 54 8.390 8.977 -0.587 1
1 659 . 20 1 1 A 51 51 ASP CA C 54 56.300 55.880 0.420 1
1 660 . 20 1 1 A 51 51 ASP HA H 54 4.010 4.476 -0.466 1
1 661 . 20 1 1 A 51 51 ASP CB C 54 40.200 40.199 0.001 1
1 664 . 20 1 1 A 51 51 ASP C C 54 176.300 176.813 -0.513 1
1 665 . 20 1 1 A 52 52 GLU N N 55 116.900 117.688 -0.788 1
1 666 . 20 1 1 A 52 52 GLU H H 55 7.100 8.005 -0.905 1
1 667 . 20 1 1 A 52 52 GLU CA C 55 56.000 57.328 -1.328 1
1 668 . 20 1 1 A 52 52 GLU HA H 55 4.200 4.322 -0.122 1
1 669 . 20 1 1 A 52 52 GLU CB C 55 30.000 29.721 0.279 1
1 675 . 20 1 1 A 52 52 GLU C C 55 175.700 176.908 -1.208 1
1 676 . 20 1 1 A 53 53 GLU N N 56 120.300 120.406 -0.106 1
1 677 . 20 1 1 A 53 53 GLU H H 56 7.570 7.663 -0.093 1
1 678 . 20 1 1 A 53 53 GLU CA C 56 57.400 56.834 0.566 1
1 679 . 20 1 1 A 53 53 GLU HA H 56 4.090 4.360 -0.270 1
1 680 . 20 1 1 A 53 53 GLU CB C 56 30.300 30.173 0.127 1
1 686 . 20 1 1 A 53 53 GLU C C 56 175.400 175.896 -0.496 1
1 687 . 20 1 1 A 54 54 GLU N N 57 123.400 122.042 1.358 1
1 688 . 20 1 1 A 54 54 GLU H H 57 8.430 8.499 -0.069 1
1 689 . 20 1 1 A 54 54 GLU CA C 57 56.500 54.905 1.595 1
1 690 . 20 1 1 A 54 54 GLU HA H 57 4.320 4.538 -0.218 1
1 691 . 20 1 1 A 54 54 GLU CB C 57 32.200 31.289 0.911 1
1 697 . 20 1 1 A 54 54 GLU C C 57 174.300 175.741 -1.441 1
1 698 . 20 1 1 A 55 55 ILE N N 58 122.000 122.242 -0.242 1
1 699 . 20 1 1 A 55 55 ILE H H 58 7.850 8.595 -0.745 1
1 700 . 20 1 1 A 55 55 ILE CA C 58 60.400 59.944 0.456 1
1 701 . 20 1 1 A 55 55 ILE HA H 58 3.770 4.354 -0.584 1
1 702 . 20 1 1 A 55 55 ILE CB C 58 40.100 37.706 2.394 1
1 715 . 20 1 1 A 55 55 ILE C C 58 172.900 174.942 -2.042 1
1 716 . 20 1 1 A 56 56 PHE N N 59 124.500 126.282 -1.782 1
1 717 . 20 1 1 A 56 56 PHE H H 59 8.970 8.853 0.117 1
1 718 . 20 1 1 A 56 56 PHE CA C 59 55.900 55.911 -0.011 1
1 719 . 20 1 1 A 56 56 PHE HA H 59 4.820 5.018 -0.198 1
1 720 . 20 1 1 A 56 56 PHE CB C 59 41.900 42.184 -0.284 1
1 727 . 20 1 1 A 56 56 PHE C C 59 175.100 174.560 0.540 1
1 728 . 20 1 1 A 57 57 ASP N N 60 117.300 123.536 -6.236 1
1 729 . 20 1 1 A 57 57 ASP H H 60 8.320 8.948 -0.628 1
1 730 . 20 1 1 A 57 57 ASP CA C 60 56.400 55.993 0.407 1
1 731 . 20 1 1 A 57 57 ASP HA H 60 4.630 4.414 0.216 1
1 732 . 20 1 1 A 57 57 ASP CB C 60 42.700 40.441 2.259 1
1 735 . 20 1 1 A 57 57 ASP C C 60 177.900 176.937 0.963 1
1 736 . 20 1 1 A 58 58 GLY N N 61 114.600 114.357 0.243 1
1 737 . 20 1 1 A 58 58 GLY H H 61 9.700 9.428 0.272 1
1 738 . 20 1 1 A 58 58 GLY CA C 61 45.100 45.136 -0.036 1
1 739 . 20 1 1 A 58 58 GLY HA2 H 61 4.420 4.057 0.363 1
1 740 . 20 1 1 A 58 58 GLY HA3 H 61 3.770 4.062 -0.292 1
1 741 . 20 1 1 A 58 58 GLY C C 61 174.900 174.191 0.709 1
1 742 . 20 1 1 A 59 59 ASP N N 62 122.200 121.710 0.490 1
1 743 . 20 1 1 A 59 59 ASP H H 62 8.350 8.203 0.147 1
1 744 . 20 1 1 A 59 59 ASP CA C 62 55.900 54.044 1.856 1
1 745 . 20 1 1 A 59 59 ASP HA H 62 4.940 4.746 0.194 1
1 746 . 20 1 1 A 59 59 ASP CB C 62 42.500 42.595 -0.095 1
1 749 . 20 1 1 A 59 59 ASP C C 62 176.000 175.845 0.155 1
1 750 . 20 1 1 A 60 60 ILE N N 63 119.100 124.816 -5.716 1
1 751 . 20 1 1 A 60 60 ILE H H 63 8.400 8.694 -0.294 1
1 752 . 20 1 1 A 60 60 ILE CA C 63 60.700 59.935 0.765 1
1 753 . 20 1 1 A 60 60 ILE HA H 63 4.690 4.673 0.017 1
1 754 . 20 1 1 A 60 60 ILE CB C 63 39.700 38.715 0.985 1
1 767 . 20 1 1 A 60 60 ILE C C 63 175.400 174.303 1.097 1
1 768 . 20 1 1 A 61 61 ILE N N 64 130.300 129.746 0.554 1
1 769 . 20 1 1 A 61 61 ILE H H 64 9.550 8.685 0.865 1
1 770 . 20 1 1 A 61 61 ILE CA C 64 58.300 60.108 -1.808 1
1 771 . 20 1 1 A 61 61 ILE HA H 64 5.230 4.836 0.394 1
1 772 . 20 1 1 A 61 61 ILE CB C 64 38.700 40.446 -1.746 1
1 785 . 20 1 1 A 61 61 ILE C C 64 174.400 173.955 0.445 1
1 786 . 20 1 1 A 62 62 GLU N N 65 126.800 128.066 -1.266 1
1 787 . 20 1 1 A 62 62 GLU H H 65 9.340 9.069 0.271 1
1 788 . 20 1 1 A 62 62 GLU CA C 65 54.500 54.544 -0.044 1
1 789 . 20 1 1 A 62 62 GLU HA H 65 5.080 5.207 -0.127 1
1 790 . 20 1 1 A 62 62 GLU CB C 65 33.300 33.432 -0.132 1
1 796 . 20 1 1 A 62 62 GLU C C 65 174.300 175.212 -0.912 1
1 797 . 20 1 1 A 63 63 VAL N N 66 124.300 123.829 0.471 1
1 798 . 20 1 1 A 63 63 VAL H H 66 8.710 8.820 -0.110 1
1 799 . 20 1 1 A 63 63 VAL CA C 66 61.900 61.750 0.150 1
1 800 . 20 1 1 A 63 63 VAL HA H 66 4.420 4.685 -0.265 1
1 801 . 20 1 1 A 63 63 VAL CB C 66 32.600 33.132 -0.532 1
1 811 . 20 1 1 A 63 63 VAL C C 66 175.300 174.653 0.647 1
1 812 . 20 1 1 A 64 64 ILE N N 67 131.200 127.478 3.722 1
1 813 . 20 1 1 A 64 64 ILE H H 67 9.180 9.275 -0.095 1
1 814 . 20 1 1 A 64 64 ILE CA C 67 60.200 60.405 -0.205 1
1 815 . 20 1 1 A 64 64 ILE HA H 67 4.360 4.731 -0.371 1
1 816 . 20 1 1 A 64 64 ILE CB C 67 40.400 39.966 0.434 1
1 829 . 20 1 1 A 64 64 ILE C C 67 175.300 175.236 0.064 1
1 830 . 20 1 1 A 65 65 ARG N N 68 126.900 127.853 -0.953 1
1 831 . 20 1 1 A 65 65 ARG H H 68 9.020 8.477 0.543 1
1 832 . 20 1 1 A 65 65 ARG CA C 68 57.200 56.233 0.967 1
1 833 . 20 1 1 A 65 65 ARG HA H 68 4.480 4.238 0.242 1
1 834 . 20 1 1 A 65 65 ARG CB C 68 30.500 30.442 0.058 1
1 843 . 20 1 1 A 65 65 ARG C C 68 176.800 175.669 1.131 1
1 844 . 20 1 1 A 66 66 VAL N N 69 122.300 124.385 -2.085 1
1 845 . 20 1 1 A 66 66 VAL H H 69 8.280 8.434 -0.154 1
1 846 . 20 1 1 A 66 66 VAL CA C 69 62.200 62.094 0.106 1
1 847 . 20 1 1 A 66 66 VAL HA H 69 4.100 4.413 -0.313 1
1 848 . 20 1 1 A 66 66 VAL CB C 69 32.800 32.977 -0.177 1
1 858 . 20 1 1 A 66 66 VAL C C 69 175.500 175.340 0.160 1
1 859 . 20 1 1 A 67 67 ILE N N 70 124.000 129.548 -5.548 1
1 860 . 20 1 1 A 67 67 ILE H H 70 7.930 8.600 -0.670 1
1 861 . 20 1 1 A 67 67 ILE CA C 70 60.300 61.074 -0.774 1
1 862 . 20 1 1 A 67 67 ILE HA H 70 4.210 4.339 -0.129 1
1 863 . 20 1 1 A 67 67 ILE CB C 70 38.900 37.634 1.266 1
1 876 . 20 1 1 A 67 67 ILE C C 70 175.500 175.307 0.193 1
1 877 . 20 1 1 A 68 68 TYR N N 71 126.200 130.708 -4.508 1
1 878 . 20 1 1 A 68 68 TYR H H 71 8.450 9.083 -0.633 1
1 879 . 20 1 1 A 68 68 TYR CA C 71 57.900 59.410 -1.510 1
1 880 . 20 1 1 A 68 68 TYR HA H 71 4.590 4.647 -0.057 1
1 881 . 20 1 1 A 68 68 TYR CB C 71 39.000 40.796 -1.796 1
1 886 . 20 1 1 A 68 68 TYR C C 71 176.200 175.510 0.690 1
1 887 . 20 1 1 A 69 69 GLY N N 72 112.000 106.362 5.638 1
1 888 . 20 1 1 A 69 69 GLY H H 72 8.370 7.600 0.770 1
1 889 . 20 1 1 A 69 69 GLY CA C 72 45.300 45.667 -0.367 1
1 890 . 20 1 1 A 69 69 GLY HA2 H 72 3.910 4.001 -0.091 1
1 891 . 20 1 1 A 69 69 GLY HA3 H 72 3.910 4.033 -0.123 1
1 892 . 20 1 1 A 69 69 GLY C C 72 173.500 171.836 1.664 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 65 0.930 1
2 1 1 1 "RMS(OBS, PRED)" CA 68 1.051 1
3 1 1 1 "RMS(OBS, PRED)" CB 61 1.266 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.478 1
5 1 1 1 "RMS(OBS, PRED)" HA 75 0.326 1
6 1 1 1 "RMS(OBS, PRED)" N 66 3.235 1
7 1 2 1 "RMS(OBS, PRED)" C 65 0.887 1
8 1 2 1 "RMS(OBS, PRED)" CA 68 0.976 1
9 1 2 1 "RMS(OBS, PRED)" CB 61 1.309 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.426 1
11 1 2 1 "RMS(OBS, PRED)" HA 75 0.327 1
12 1 2 1 "RMS(OBS, PRED)" N 66 3.146 1
13 1 3 1 "RMS(OBS, PRED)" C 65 0.905 1
14 1 3 1 "RMS(OBS, PRED)" CA 68 1.033 1
15 1 3 1 "RMS(OBS, PRED)" CB 61 1.121 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.466 1
17 1 3 1 "RMS(OBS, PRED)" HA 75 0.327 1
18 1 3 1 "RMS(OBS, PRED)" N 66 3.487 1
19 1 4 1 "RMS(OBS, PRED)" C 65 0.950 1
20 1 4 1 "RMS(OBS, PRED)" CA 68 0.958 1
21 1 4 1 "RMS(OBS, PRED)" CB 61 1.312 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.497 1
23 1 4 1 "RMS(OBS, PRED)" HA 75 0.300 1
24 1 4 1 "RMS(OBS, PRED)" N 66 3.165 1
25 1 5 1 "RMS(OBS, PRED)" C 65 0.924 1
26 1 5 1 "RMS(OBS, PRED)" CA 68 0.886 1
27 1 5 1 "RMS(OBS, PRED)" CB 61 1.205 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.428 1
29 1 5 1 "RMS(OBS, PRED)" HA 75 0.330 1
30 1 5 1 "RMS(OBS, PRED)" N 66 3.044 1
31 1 6 1 "RMS(OBS, PRED)" C 65 0.976 1
32 1 6 1 "RMS(OBS, PRED)" CA 68 1.008 1
33 1 6 1 "RMS(OBS, PRED)" CB 61 1.157 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.517 1
35 1 6 1 "RMS(OBS, PRED)" HA 75 0.317 1
36 1 6 1 "RMS(OBS, PRED)" N 66 3.420 1
37 1 7 1 "RMS(OBS, PRED)" C 65 0.851 1
38 1 7 1 "RMS(OBS, PRED)" CA 68 0.960 1
39 1 7 1 "RMS(OBS, PRED)" CB 61 1.061 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.478 1
41 1 7 1 "RMS(OBS, PRED)" HA 75 0.329 1
42 1 7 1 "RMS(OBS, PRED)" N 66 2.965 1
43 1 8 1 "RMS(OBS, PRED)" C 65 0.961 1
44 1 8 1 "RMS(OBS, PRED)" CA 68 1.119 1
45 1 8 1 "RMS(OBS, PRED)" CB 61 1.205 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.486 1
47 1 8 1 "RMS(OBS, PRED)" HA 75 0.303 1
48 1 8 1 "RMS(OBS, PRED)" N 66 3.146 1
49 1 9 1 "RMS(OBS, PRED)" C 65 0.882 1
50 1 9 1 "RMS(OBS, PRED)" CA 68 1.008 1
51 1 9 1 "RMS(OBS, PRED)" CB 61 1.166 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.528 1
53 1 9 1 "RMS(OBS, PRED)" HA 75 0.321 1
54 1 9 1 "RMS(OBS, PRED)" N 66 3.537 1
55 1 10 1 "RMS(OBS, PRED)" C 65 0.897 1
56 1 10 1 "RMS(OBS, PRED)" CA 68 0.978 1
57 1 10 1 "RMS(OBS, PRED)" CB 61 1.193 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.491 1
59 1 10 1 "RMS(OBS, PRED)" HA 75 0.277 1
60 1 10 1 "RMS(OBS, PRED)" N 66 2.983 1
61 1 11 1 "RMS(OBS, PRED)" C 65 0.915 1
62 1 11 1 "RMS(OBS, PRED)" CA 68 0.994 1
63 1 11 1 "RMS(OBS, PRED)" CB 61 1.219 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.487 1
65 1 11 1 "RMS(OBS, PRED)" HA 75 0.310 1
66 1 11 1 "RMS(OBS, PRED)" N 66 3.046 1
67 1 12 1 "RMS(OBS, PRED)" C 65 0.887 1
68 1 12 1 "RMS(OBS, PRED)" CA 68 0.895 1
69 1 12 1 "RMS(OBS, PRED)" CB 61 1.069 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.490 1
71 1 12 1 "RMS(OBS, PRED)" HA 75 0.296 1
72 1 12 1 "RMS(OBS, PRED)" N 66 3.188 1
73 1 13 1 "RMS(OBS, PRED)" C 65 0.856 1
74 1 13 1 "RMS(OBS, PRED)" CA 68 0.953 1
75 1 13 1 "RMS(OBS, PRED)" CB 61 1.086 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.439 1
77 1 13 1 "RMS(OBS, PRED)" HA 75 0.323 1
78 1 13 1 "RMS(OBS, PRED)" N 66 3.204 1
79 1 14 1 "RMS(OBS, PRED)" C 65 0.918 1
80 1 14 1 "RMS(OBS, PRED)" CA 68 0.948 1
81 1 14 1 "RMS(OBS, PRED)" CB 61 1.310 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.470 1
83 1 14 1 "RMS(OBS, PRED)" HA 75 0.284 1
84 1 14 1 "RMS(OBS, PRED)" N 66 3.146 1
85 1 15 1 "RMS(OBS, PRED)" C 65 0.840 1
86 1 15 1 "RMS(OBS, PRED)" CA 68 0.944 1
87 1 15 1 "RMS(OBS, PRED)" CB 61 1.216 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.440 1
89 1 15 1 "RMS(OBS, PRED)" HA 75 0.318 1
90 1 15 1 "RMS(OBS, PRED)" N 66 2.703 1
91 1 16 1 "RMS(OBS, PRED)" C 65 0.896 1
92 1 16 1 "RMS(OBS, PRED)" CA 68 1.035 1
93 1 16 1 "RMS(OBS, PRED)" CB 61 1.102 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.477 1
95 1 16 1 "RMS(OBS, PRED)" HA 75 0.301 1
96 1 16 1 "RMS(OBS, PRED)" N 66 3.366 1
97 1 17 1 "RMS(OBS, PRED)" C 65 0.960 1
98 1 17 1 "RMS(OBS, PRED)" CA 68 0.978 1
99 1 17 1 "RMS(OBS, PRED)" CB 61 1.223 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.463 1
101 1 17 1 "RMS(OBS, PRED)" HA 75 0.336 1
102 1 17 1 "RMS(OBS, PRED)" N 66 2.853 1
103 1 18 1 "RMS(OBS, PRED)" C 65 0.905 1
104 1 18 1 "RMS(OBS, PRED)" CA 68 0.968 1
105 1 18 1 "RMS(OBS, PRED)" CB 61 1.155 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.442 1
107 1 18 1 "RMS(OBS, PRED)" HA 75 0.311 1
108 1 18 1 "RMS(OBS, PRED)" N 66 3.204 1
109 1 19 1 "RMS(OBS, PRED)" C 65 1.016 1
110 1 19 1 "RMS(OBS, PRED)" CA 68 0.966 1
111 1 19 1 "RMS(OBS, PRED)" CB 61 1.280 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.470 1
113 1 19 1 "RMS(OBS, PRED)" HA 75 0.333 1
114 1 19 1 "RMS(OBS, PRED)" N 66 3.170 1
115 1 20 1 "RMS(OBS, PRED)" C 65 0.865 1
116 1 20 1 "RMS(OBS, PRED)" CA 68 0.869 1
117 1 20 1 "RMS(OBS, PRED)" CB 61 1.202 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.475 1
119 1 20 1 "RMS(OBS, PRED)" HA 75 0.298 1
120 1 20 1 "RMS(OBS, PRED)" N 66 3.367 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 10 . 1 1 A 2 2 VAL N N 5 122.400 124.400 -2.000 2
1 11 . 1 1 A 2 2 VAL H H 5 8.290 8.817 -0.527 2
1 12 . 1 1 A 2 2 VAL CA C 5 62.400 61.972 0.428 2
1 13 . 1 1 A 2 2 VAL HA H 5 4.120 4.484 -0.364 2
1 14 . 1 1 A 2 2 VAL CB C 5 32.600 32.299 0.301 2
1 24 . 1 1 A 2 2 VAL C C 5 175.700 174.970 0.730 2
1 25 . 1 1 A 3 3 ILE N N 6 125.000 127.617 -2.617 2
1 26 . 1 1 A 3 3 ILE H H 6 8.240 8.742 -0.502 2
1 27 . 1 1 A 3 3 ILE CA C 6 60.900 59.928 0.972 2
1 28 . 1 1 A 3 3 ILE HA H 6 4.210 4.710 -0.500 2
1 29 . 1 1 A 3 3 ILE CB C 6 38.700 39.332 -0.632 2
1 42 . 1 1 A 3 3 ILE C C 6 176.000 175.842 0.158 2
1 43 . 1 1 A 4 4 GLY N N 7 112.900 113.491 -0.591 2
1 44 . 1 1 A 4 4 GLY H H 7 8.330 8.460 -0.130 2
1 45 . 1 1 A 4 4 GLY CA C 7 45.300 44.600 0.700 2
1 46 . 1 1 A 4 4 GLY HA2 H 7 4.140 4.126 0.014 2
1 47 . 1 1 A 4 4 GLY HA3 H 7 4.020 4.130 -0.110 2
1 48 . 1 1 A 4 4 GLY C C 7 172.800 172.675 0.125 2
1 49 . 1 1 A 5 5 MET N N 8 118.400 117.741 0.659 2
1 50 . 1 1 A 5 5 MET H H 8 8.540 8.486 0.054 2
1 51 . 1 1 A 5 5 MET CA C 8 54.800 54.329 0.471 2
1 52 . 1 1 A 5 5 MET HA H 8 4.820 5.342 -0.522 2
1 53 . 1 1 A 5 5 MET CB C 8 35.500 35.498 0.002 2
1 63 . 1 1 A 5 5 MET C C 8 174.100 174.355 -0.255 2
1 64 . 1 1 A 6 6 LYS N N 9 122.000 122.221 -0.221 2
1 65 . 1 1 A 6 6 LYS H H 9 9.150 9.093 0.057 2
1 66 . 1 1 A 6 6 LYS CA C 9 55.100 54.858 0.242 2
1 67 . 1 1 A 6 6 LYS HA H 9 5.430 5.113 0.317 2
1 68 . 1 1 A 6 6 LYS CB C 9 36.100 34.838 1.262 2
1 80 . 1 1 A 6 6 LYS C C 9 174.500 175.554 -1.054 2
1 81 . 1 1 A 7 7 PHE N N 10 119.300 120.658 -1.358 2
1 82 . 1 1 A 7 7 PHE H H 10 8.670 8.667 0.003 2
1 83 . 1 1 A 7 7 PHE CA C 10 55.700 55.720 -0.020 2
1 84 . 1 1 A 7 7 PHE HA H 10 5.190 5.494 -0.304 2
1 85 . 1 1 A 7 7 PHE CB C 10 40.100 42.314 -2.214 2
1 92 . 1 1 A 7 7 PHE C C 10 172.400 172.489 -0.089 2
1 93 . 1 1 A 8 8 THR N N 11 116.500 115.869 0.631 2
1 94 . 1 1 A 8 8 THR H H 11 8.440 8.758 -0.318 2
1 95 . 1 1 A 8 8 THR CA C 11 62.200 60.575 1.625 2
1 96 . 1 1 A 8 8 THR HA H 11 5.070 5.114 -0.044 2
1 97 . 1 1 A 8 8 THR CB C 11 70.800 70.899 -0.099 2
1 103 . 1 1 A 8 8 THR C C 11 173.300 172.751 0.549 2
1 104 . 1 1 A 9 9 VAL N N 12 126.200 126.746 -0.546 2
1 105 . 1 1 A 9 9 VAL H H 12 9.400 9.320 0.080 2
1 106 . 1 1 A 9 9 VAL CA C 12 60.700 60.037 0.663 2
1 107 . 1 1 A 9 9 VAL HA H 12 5.090 5.515 -0.425 2
1 108 . 1 1 A 9 9 VAL CB C 12 34.100 34.382 -0.282 2
1 118 . 1 1 A 9 9 VAL C C 12 174.500 173.607 0.893 2
1 119 . 1 1 A 10 10 ILE N N 13 129.600 129.627 -0.027 2
1 120 . 1 1 A 10 10 ILE H H 13 9.560 9.030 0.530 2
1 121 . 1 1 A 10 10 ILE CA C 13 61.400 59.897 1.503 2
1 122 . 1 1 A 10 10 ILE HA H 13 4.640 4.990 -0.350 2
1 123 . 1 1 A 10 10 ILE CB C 13 39.700 40.139 -0.439 2
1 136 . 1 1 A 10 10 ILE C C 13 175.200 174.478 0.722 2
1 137 . 1 1 A 11 11 THR N N 14 116.800 123.287 -6.487 2
1 138 . 1 1 A 11 11 THR H H 14 8.430 8.899 -0.469 2
1 139 . 1 1 A 11 11 THR CA C 14 59.200 60.672 -1.472 2
1 140 . 1 1 A 11 11 THR HA H 14 5.160 4.825 0.335 2
1 141 . 1 1 A 11 11 THR CB C 14 71.900 72.254 -0.354 2
1 147 . 1 1 A 11 11 THR C C 14 175.800 174.673 1.127 2
1 148 . 1 1 A 12 12 ASP N N 15 120.000 122.533 -2.533 2
1 149 . 1 1 A 12 12 ASP H H 15 9.010 9.007 0.003 2
1 150 . 1 1 A 12 12 ASP CA C 15 56.900 56.977 -0.077 2
1 151 . 1 1 A 12 12 ASP HA H 15 4.440 4.369 0.071 2
1 152 . 1 1 A 12 12 ASP CB C 15 40.900 40.324 0.576 2
1 155 . 1 1 A 12 12 ASP C C 15 176.600 177.071 -0.471 2
1 156 . 1 1 A 13 13 ASP N N 16 115.300 116.862 -1.562 2
1 157 . 1 1 A 13 13 ASP H H 16 8.090 7.976 0.114 2
1 158 . 1 1 A 13 13 ASP CA C 16 53.400 53.820 -0.420 2
1 159 . 1 1 A 13 13 ASP HA H 16 4.730 4.618 0.112 2
1 160 . 1 1 A 13 13 ASP CB C 16 41.800 40.853 0.947 2
1 163 . 1 1 A 13 13 ASP C C 16 175.700 176.073 -0.373 2
1 164 . 1 1 A 14 14 GLY N N 17 108.000 107.021 0.979 2
1 165 . 1 1 A 14 14 GLY H H 17 7.610 7.422 0.188 2
1 166 . 1 1 A 14 14 GLY CA C 17 44.900 44.085 0.815 2
1 167 . 1 1 A 14 14 GLY HA2 H 17 4.450 4.064 0.386 2
1 168 . 1 1 A 14 14 GLY HA3 H 17 3.860 4.066 -0.206 2
1 169 . 1 1 A 14 14 GLY C C 17 171.800 172.096 -0.296 2
1 170 . 1 1 A 15 15 LYS N N 18 120.600 121.102 -0.502 2
1 171 . 1 1 A 15 15 LYS H H 18 8.430 8.409 0.021 2
1 172 . 1 1 A 15 15 LYS CA C 18 55.400 55.270 0.130 2
1 173 . 1 1 A 15 15 LYS HA H 18 5.080 4.934 0.147 2
1 174 . 1 1 A 15 15 LYS CB C 18 34.600 34.103 0.497 2
1 186 . 1 1 A 15 15 LYS C C 18 175.600 175.111 0.489 2
1 187 . 1 1 A 16 16 LYS N N 19 125.700 126.872 -1.172 2
1 188 . 1 1 A 16 16 LYS H H 19 9.160 9.203 -0.043 2
1 189 . 1 1 A 16 16 LYS CA C 19 55.000 54.766 0.234 2
1 190 . 1 1 A 16 16 LYS HA H 19 4.620 4.942 -0.322 2
1 191 . 1 1 A 16 16 LYS CB C 19 36.100 35.074 1.026 2
1 201 . 1 1 A 16 16 LYS C C 19 174.000 174.702 -0.702 2
1 202 . 1 1 A 17 17 ILE N N 20 123.800 125.945 -2.145 2
1 203 . 1 1 A 17 17 ILE H H 20 8.420 8.685 -0.265 2
1 204 . 1 1 A 17 17 ILE CA C 20 60.400 60.136 0.264 2
1 205 . 1 1 A 17 17 ILE HA H 20 4.620 4.731 -0.111 2
1 206 . 1 1 A 17 17 ILE CB C 20 37.900 39.702 -1.802 2
1 219 . 1 1 A 17 17 ILE C C 20 175.700 174.648 1.052 2
1 220 . 1 1 A 18 18 LEU N N 21 130.500 126.955 3.545 2
1 221 . 1 1 A 18 18 LEU H H 21 8.600 8.834 -0.234 2
1 222 . 1 1 A 18 18 LEU CA C 21 53.500 52.951 0.549 2
1 223 . 1 1 A 18 18 LEU HA H 21 4.490 5.044 -0.554 2
1 224 . 1 1 A 18 18 LEU CB C 21 44.500 45.504 -1.004 2
1 236 . 1 1 A 18 18 LEU C C 21 174.000 174.776 -0.776 2
1 237 . 1 1 A 19 19 GLU N N 22 116.200 121.015 -4.815 2
1 238 . 1 1 A 19 19 GLU H H 22 7.940 8.749 -0.809 2
1 239 . 1 1 A 19 19 GLU CA C 22 53.800 54.544 -0.744 2
1 240 . 1 1 A 19 19 GLU HA H 22 5.280 5.144 0.136 2
1 241 . 1 1 A 19 19 GLU CB C 22 33.400 33.326 0.074 2
1 247 . 1 1 A 19 19 GLU C C 22 176.600 174.667 1.933 2
1 248 . 1 1 A 20 20 SER N N 23 114.700 119.654 -4.954 2
1 249 . 1 1 A 20 20 SER H H 23 8.630 8.958 -0.328 2
1 250 . 1 1 A 20 20 SER CA C 23 57.400 56.765 0.635 2
1 251 . 1 1 A 20 20 SER HA H 23 4.780 5.045 -0.265 2
1 252 . 1 1 A 20 20 SER CB C 23 65.900 65.672 0.228 2
1 255 . 1 1 A 20 20 SER C C 23 174.100 174.991 -0.891 2
1 256 . 1 1 A 21 21 GLY N N 24 109.400 113.219 -3.819 2
1 257 . 1 1 A 21 21 GLY H H 24 8.340 8.745 -0.404 2
1 258 . 1 1 A 21 21 GLY CA C 24 45.100 46.336 -1.236 2
1 259 . 1 1 A 21 21 GLY HA2 H 24 4.470 3.868 0.602 2
1 260 . 1 1 A 21 21 GLY HA3 H 24 3.790 3.874 -0.084 2
1 261 . 1 1 A 21 21 GLY C C 24 172.600 173.958 -1.358 2
1 262 . 1 1 A 22 22 ALA N N 25 122.500 121.939 0.561 2
1 263 . 1 1 A 22 22 ALA H H 25 7.790 7.619 0.171 2
1 264 . 1 1 A 22 22 ALA CA C 25 49.900 49.590 0.310 2
1 265 . 1 1 A 22 22 ALA HA H 25 4.780 4.821 -0.041 2
1 269 . 1 1 A 22 22 ALA CB C 25 20.600 21.540 -0.940 2
1 271 . 1 1 A 23 23 PRO CA C 26 63.700 62.931 0.769 2
1 272 . 1 1 A 23 23 PRO HA H 26 4.400 4.683 -0.283 2
1 273 . 1 1 A 23 23 PRO CB C 26 31.900 31.933 -0.033 2
1 281 . 1 1 A 23 23 PRO C C 26 176.500 175.825 0.675 2
1 282 . 1 1 A 24 24 ARG N N 27 120.200 123.302 -3.102 2
1 283 . 1 1 A 24 24 ARG H H 27 7.810 8.312 -0.502 2
1 284 . 1 1 A 24 24 ARG CA C 27 53.800 54.340 -0.540 2
1 285 . 1 1 A 24 24 ARG HA H 27 4.680 4.780 -0.100 2
1 286 . 1 1 A 24 24 ARG CB C 27 35.600 33.996 1.604 2
1 295 . 1 1 A 24 24 ARG C C 27 174.300 174.286 0.014 2
1 296 . 1 1 A 25 25 ARG N N 28 119.300 122.038 -2.738 2
1 297 . 1 1 A 25 25 ARG H H 28 8.900 8.761 0.139 2
1 298 . 1 1 A 25 25 ARG CA C 28 54.200 54.936 -0.736 2
1 299 . 1 1 A 25 25 ARG HA H 28 4.870 4.468 0.402 2
1 300 . 1 1 A 25 25 ARG CB C 28 32.200 31.973 0.227 2
1 309 . 1 1 A 25 25 ARG C C 28 178.300 177.382 0.918 2
1 310 . 1 1 A 26 26 ILE N N 29 123.500 124.315 -0.815 2
1 311 . 1 1 A 26 26 ILE H H 29 8.630 9.247 -0.617 2
1 312 . 1 1 A 26 26 ILE CA C 29 65.200 65.125 0.075 2
1 313 . 1 1 A 26 26 ILE HA H 29 3.410 3.611 -0.201 2
1 314 . 1 1 A 26 26 ILE CB C 29 36.500 37.545 -1.045 2
1 327 . 1 1 A 26 26 ILE C C 29 178.600 177.997 0.603 2
1 328 . 1 1 A 27 27 LYS N N 30 115.100 120.738 -5.638 2
1 329 . 1 1 A 27 27 LYS H H 30 8.900 8.028 0.872 2
1 330 . 1 1 A 27 27 LYS CA C 30 59.300 59.304 -0.004 2
1 331 . 1 1 A 27 27 LYS HA H 30 3.900 3.896 0.004 2
1 332 . 1 1 A 27 27 LYS CB C 30 31.700 32.067 -0.367 2
1 344 . 1 1 A 27 27 LYS C C 30 178.000 178.216 -0.216 2
1 345 . 1 1 A 28 28 ASP N N 31 119.700 119.389 0.311 2
1 346 . 1 1 A 28 28 ASP H H 31 7.180 7.918 -0.738 2
1 347 . 1 1 A 28 28 ASP CA C 31 56.900 57.211 -0.311 2
1 348 . 1 1 A 28 28 ASP HA H 31 4.480 4.394 0.086 2
1 349 . 1 1 A 28 28 ASP CB C 31 41.300 40.905 0.395 2
1 352 . 1 1 A 28 28 ASP C C 31 178.600 178.733 -0.133 2
1 353 . 1 1 A 29 29 VAL N N 32 122.100 119.386 2.714 2
1 354 . 1 1 A 29 29 VAL H H 32 7.410 7.747 -0.337 2
1 355 . 1 1 A 29 29 VAL CA C 32 65.900 66.625 -0.725 2
1 356 . 1 1 A 29 29 VAL HA H 32 3.730 3.603 0.127 2
1 357 . 1 1 A 29 29 VAL CB C 32 32.000 31.528 0.472 2
1 367 . 1 1 A 29 29 VAL C C 32 177.600 178.140 -0.540 2
1 368 . 1 1 A 30 30 LEU N N 33 118.000 120.193 -2.193 2
1 369 . 1 1 A 30 30 LEU H H 33 8.380 8.614 -0.234 2
1 370 . 1 1 A 30 30 LEU CA C 33 58.500 57.838 0.662 2
1 371 . 1 1 A 30 30 LEU HA H 33 3.910 3.979 -0.069 2
1 372 . 1 1 A 30 30 LEU CB C 33 39.200 41.771 -2.571 2
1 385 . 1 1 A 30 30 LEU C C 33 179.200 179.135 0.065 2
1 386 . 1 1 A 31 31 GLY N N 34 104.500 106.351 -1.851 2
1 387 . 1 1 A 31 31 GLY H H 34 7.730 8.343 -0.613 2
1 388 . 1 1 A 31 31 GLY CA C 34 47.100 47.288 -0.188 2
1 389 . 1 1 A 31 31 GLY HA2 H 34 3.940 3.752 0.188 2
1 390 . 1 1 A 31 31 GLY HA3 H 34 3.940 3.754 0.186 2
1 391 . 1 1 A 31 31 GLY C C 34 177.500 175.813 1.687 2
1 392 . 1 1 A 32 32 GLU N N 35 124.300 121.801 2.499 2
1 393 . 1 1 A 32 32 GLU H H 35 7.750 8.064 -0.314 2
1 394 . 1 1 A 32 32 GLU CA C 35 59.100 59.158 -0.058 2
1 395 . 1 1 A 32 32 GLU HA H 35 4.130 4.055 0.075 2
1 396 . 1 1 A 32 32 GLU CB C 35 29.800 29.543 0.257 2
1 402 . 1 1 A 32 32 GLU C C 35 178.300 178.396 -0.096 2
1 403 . 1 1 A 33 33 LEU N N 36 117.300 118.161 -0.861 2
1 404 . 1 1 A 33 33 LEU H H 36 7.750 7.709 0.041 2
1 405 . 1 1 A 33 33 LEU CA C 36 55.000 55.079 -0.079 2
1 406 . 1 1 A 33 33 LEU HA H 36 4.270 4.255 0.016 2
1 407 . 1 1 A 33 33 LEU CB C 36 42.100 42.093 0.007 2
1 420 . 1 1 A 33 33 LEU C C 36 175.200 176.312 -1.112 2
1 421 . 1 1 A 34 34 GLU N N 37 115.500 118.670 -3.170 2
1 422 . 1 1 A 34 34 GLU H H 37 7.780 7.985 -0.205 2
1 423 . 1 1 A 34 34 GLU CA C 37 57.200 57.492 -0.292 2
1 424 . 1 1 A 34 34 GLU HA H 37 3.830 3.980 -0.150 2
1 425 . 1 1 A 34 34 GLU CB C 37 26.700 28.366 -1.666 2
1 431 . 1 1 A 34 34 GLU C C 37 175.300 175.090 0.210 2
1 432 . 1 1 A 35 35 ILE N N 38 121.300 120.060 1.240 2
1 433 . 1 1 A 35 35 ILE H H 38 8.010 7.799 0.211 2
1 434 . 1 1 A 35 35 ILE CA C 38 58.300 58.066 0.234 2
1 435 . 1 1 A 35 35 ILE HA H 38 4.410 4.409 0.001 2
1 436 . 1 1 A 35 35 ILE CB C 38 40.300 39.563 0.737 2
1 450 . 1 1 A 36 36 PRO CA C 39 62.400 62.792 -0.392 2
1 451 . 1 1 A 36 36 PRO HA H 39 4.470 4.619 -0.149 2
1 452 . 1 1 A 36 36 PRO CB C 39 31.600 31.297 0.303 2
1 460 . 1 1 A 36 36 PRO C C 39 179.200 177.561 1.639 2
1 461 . 1 1 A 37 37 ILE N N 40 127.500 125.768 1.732 2
1 462 . 1 1 A 37 37 ILE H H 40 8.350 8.823 -0.473 2
1 463 . 1 1 A 37 37 ILE CA C 40 63.700 63.001 0.699 2
1 464 . 1 1 A 37 37 ILE HA H 40 3.750 4.088 -0.338 2
1 465 . 1 1 A 37 37 ILE CB C 40 38.600 38.036 0.564 2
1 478 . 1 1 A 37 37 ILE C C 40 176.100 177.186 -1.087 2
1 479 . 1 1 A 38 38 GLU N N 41 118.500 121.672 -3.172 2
1 480 . 1 1 A 38 38 GLU H H 41 9.370 7.998 1.372 2
1 481 . 1 1 A 38 38 GLU CA C 41 58.400 59.167 -0.767 2
1 482 . 1 1 A 38 38 GLU HA H 41 4.330 4.062 0.268 2
1 483 . 1 1 A 38 38 GLU CB C 41 28.500 29.556 -1.056 2
1 489 . 1 1 A 38 38 GLU C C 41 177.600 178.018 -0.418 2
1 490 . 1 1 A 39 39 THR N N 42 107.400 112.995 -5.595 2
1 491 . 1 1 A 39 39 THR H H 42 7.810 7.631 0.179 2
1 492 . 1 1 A 39 39 THR CA C 42 61.600 62.874 -1.274 2
1 493 . 1 1 A 39 39 THR HA H 42 4.520 4.426 0.094 2
1 494 . 1 1 A 39 39 THR CB C 42 70.300 69.821 0.479 2
1 500 . 1 1 A 39 39 THR C C 42 174.000 174.099 -0.099 2
1 501 . 1 1 A 40 40 VAL N N 43 112.000 118.408 -6.408 2
1 502 . 1 1 A 40 40 VAL H H 43 7.230 7.309 -0.079 2
1 503 . 1 1 A 40 40 VAL CA C 43 59.100 59.060 0.040 2
1 504 . 1 1 A 40 40 VAL HA H 43 5.420 4.880 0.540 2
1 505 . 1 1 A 40 40 VAL CB C 43 36.400 35.170 1.230 2
1 515 . 1 1 A 40 40 VAL C C 43 175.200 174.363 0.837 2
1 516 . 1 1 A 41 41 VAL N N 44 120.400 122.637 -2.237 2
1 517 . 1 1 A 41 41 VAL H H 44 9.080 8.932 0.148 2
1 518 . 1 1 A 41 41 VAL CA C 44 61.500 61.259 0.241 2
1 519 . 1 1 A 41 41 VAL HA H 44 4.230 4.646 -0.416 2
1 520 . 1 1 A 41 41 VAL CB C 44 34.600 33.488 1.112 2
1 530 . 1 1 A 41 41 VAL C C 44 174.000 174.893 -0.893 2
1 531 . 1 1 A 42 42 VAL N N 45 123.400 128.406 -5.006 2
1 532 . 1 1 A 42 42 VAL H H 45 8.820 8.975 -0.155 2
1 533 . 1 1 A 42 42 VAL CA C 45 60.000 61.067 -1.067 2
1 534 . 1 1 A 42 42 VAL HA H 45 5.120 4.778 0.342 2
1 535 . 1 1 A 42 42 VAL CB C 45 34.300 33.231 1.069 2
1 545 . 1 1 A 42 42 VAL C C 45 174.700 175.001 -0.301 2
1 546 . 1 1 A 43 43 LYS N N 46 121.700 126.601 -4.901 2
1 547 . 1 1 A 43 43 LYS H H 46 8.920 9.150 -0.230 2
1 548 . 1 1 A 43 43 LYS CA C 46 53.800 54.359 -0.559 2
1 549 . 1 1 A 43 43 LYS HA H 46 5.180 5.359 -0.179 2
1 550 . 1 1 A 43 43 LYS CB C 46 36.900 35.583 1.317 2
1 562 . 1 1 A 43 43 LYS C C 46 175.600 175.111 0.489 2
1 563 . 1 1 A 44 44 LYS N N 47 122.300 123.081 -0.781 2
1 564 . 1 1 A 44 44 LYS H H 47 9.240 9.126 0.114 2
1 565 . 1 1 A 44 44 LYS CA C 47 54.400 55.055 -0.655 2
1 566 . 1 1 A 44 44 LYS HA H 47 5.190 4.752 0.438 2
1 567 . 1 1 A 44 44 LYS CB C 47 36.100 33.113 2.987 2
1 578 . 1 1 A 44 44 LYS C C 47 176.000 176.660 -0.660 2
1 579 . 1 1 A 45 45 ASN N N 48 129.600 123.755 5.845 2
1 580 . 1 1 A 45 45 ASN H H 48 9.980 9.590 0.390 2
1 581 . 1 1 A 45 45 ASN CA C 48 54.300 54.442 -0.142 2
1 582 . 1 1 A 45 45 ASN HA H 48 4.490 4.483 0.007 2
1 583 . 1 1 A 45 45 ASN CB C 48 37.200 37.634 -0.434 2
1 589 . 1 1 A 45 45 ASN C C 48 175.800 174.828 0.972 2
1 590 . 1 1 A 46 46 GLY N N 49 103.200 105.392 -2.192 2
1 591 . 1 1 A 46 46 GLY H H 49 9.340 8.461 0.879 2
1 592 . 1 1 A 46 46 GLY CA C 49 45.200 45.269 -0.069 2
1 593 . 1 1 A 46 46 GLY HA2 H 49 4.300 4.048 0.252 2
1 594 . 1 1 A 46 46 GLY HA3 H 49 3.650 4.049 -0.399 2
1 595 . 1 1 A 46 46 GLY C C 49 173.600 174.054 -0.454 2
1 596 . 1 1 A 47 47 GLN N N 50 119.700 119.643 0.057 2
1 597 . 1 1 A 47 47 GLN H H 50 7.690 7.787 -0.097 2
1 598 . 1 1 A 47 47 GLN CA C 50 53.500 55.242 -1.742 2
1 599 . 1 1 A 47 47 GLN HA H 50 4.770 4.510 0.260 2
1 600 . 1 1 A 47 47 GLN CB C 50 31.300 30.110 1.190 2
1 606 . 1 1 A 47 47 GLN C C 50 175.000 175.526 -0.526 2
1 607 . 1 1 A 48 48 ILE N N 51 125.800 124.194 1.606 2
1 608 . 1 1 A 48 48 ILE H H 51 8.790 8.488 0.302 2
1 609 . 1 1 A 48 48 ILE CA C 51 63.000 61.857 1.143 2
1 610 . 1 1 A 48 48 ILE HA H 51 4.380 4.385 -0.005 2
1 611 . 1 1 A 48 48 ILE CB C 51 37.400 37.269 0.131 2
1 624 . 1 1 A 48 48 ILE C C 51 176.500 175.877 0.623 2
1 625 . 1 1 A 49 49 VAL N N 52 121.900 121.351 0.549 2
1 626 . 1 1 A 49 49 VAL H H 52 8.290 8.954 -0.664 2
1 627 . 1 1 A 49 49 VAL CA C 52 58.900 59.525 -0.625 2
1 628 . 1 1 A 49 49 VAL HA H 52 4.860 5.061 -0.201 2
1 629 . 1 1 A 49 49 VAL CB C 52 35.700 35.768 -0.068 2
1 639 . 1 1 A 50 50 ILE N N 53 114.600 117.231 -2.631 2
1 640 . 1 1 A 50 50 ILE H H 53 8.020 8.298 -0.278 2
1 641 . 1 1 A 50 50 ILE CA C 53 60.500 58.923 1.577 2
1 642 . 1 1 A 50 50 ILE HA H 53 4.610 4.518 0.092 2
1 643 . 1 1 A 50 50 ILE CB C 53 39.500 39.947 -0.447 2
1 656 . 1 1 A 50 50 ILE C C 53 177.000 176.576 0.424 2
1 657 . 1 1 A 51 51 ASP N N 54 118.300 121.277 -2.977 2
1 658 . 1 1 A 51 51 ASP H H 54 8.390 8.918 -0.528 2
1 659 . 1 1 A 51 51 ASP CA C 54 56.300 55.850 0.450 2
1 660 . 1 1 A 51 51 ASP HA H 54 4.010 4.451 -0.441 2
1 661 . 1 1 A 51 51 ASP CB C 54 40.200 40.049 0.151 2
1 664 . 1 1 A 51 51 ASP C C 54 176.300 177.084 -0.784 2
1 665 . 1 1 A 52 52 GLU N N 55 116.900 118.415 -1.515 2
1 666 . 1 1 A 52 52 GLU H H 55 7.100 7.955 -0.855 2
1 667 . 1 1 A 52 52 GLU CA C 55 56.000 57.296 -1.296 2
1 668 . 1 1 A 52 52 GLU HA H 55 4.200 4.311 -0.111 2
1 669 . 1 1 A 52 52 GLU CB C 55 30.000 29.712 0.288 2
1 675 . 1 1 A 52 52 GLU C C 55 175.700 176.835 -1.135 2
1 676 . 1 1 A 53 53 GLU N N 56 120.300 119.891 0.409 2
1 677 . 1 1 A 53 53 GLU H H 56 7.570 7.580 -0.010 2
1 678 . 1 1 A 53 53 GLU CA C 56 57.400 56.023 1.377 2
1 679 . 1 1 A 53 53 GLU HA H 56 4.090 4.437 -0.347 2
1 680 . 1 1 A 53 53 GLU CB C 56 30.300 30.479 -0.179 2
1 686 . 1 1 A 53 53 GLU C C 56 175.400 176.025 -0.625 2
1 687 . 1 1 A 54 54 GLU N N 57 123.400 121.681 1.719 2
1 688 . 1 1 A 54 54 GLU H H 57 8.430 8.562 -0.132 2
1 689 . 1 1 A 54 54 GLU CA C 57 56.500 55.691 0.809 2
1 690 . 1 1 A 54 54 GLU HA H 57 4.320 4.436 -0.116 2
1 691 . 1 1 A 54 54 GLU CB C 57 32.200 30.816 1.384 2
1 697 . 1 1 A 54 54 GLU C C 57 174.300 175.606 -1.306 2
1 698 . 1 1 A 55 55 ILE N N 58 122.000 122.102 -0.102 2
1 699 . 1 1 A 55 55 ILE H H 58 7.850 8.299 -0.448 2
1 700 . 1 1 A 55 55 ILE CA C 58 60.400 59.947 0.453 2
1 701 . 1 1 A 55 55 ILE HA H 58 3.770 4.496 -0.726 2
1 702 . 1 1 A 55 55 ILE CB C 58 40.100 38.995 1.105 2
1 715 . 1 1 A 55 55 ILE C C 58 172.900 174.841 -1.941 2
1 716 . 1 1 A 56 56 PHE N N 59 124.500 125.564 -1.064 2
1 717 . 1 1 A 56 56 PHE H H 59 8.970 8.868 0.102 2
1 718 . 1 1 A 56 56 PHE CA C 59 55.900 56.341 -0.441 2
1 719 . 1 1 A 56 56 PHE HA H 59 4.820 5.033 -0.213 2
1 720 . 1 1 A 56 56 PHE CB C 59 41.900 42.666 -0.766 2
1 727 . 1 1 A 56 56 PHE C C 59 175.100 174.583 0.517 2
1 728 . 1 1 A 57 57 ASP N N 60 117.300 123.035 -5.735 2
1 729 . 1 1 A 57 57 ASP H H 60 8.320 8.862 -0.542 2
1 730 . 1 1 A 57 57 ASP CA C 60 56.400 55.886 0.514 2
1 731 . 1 1 A 57 57 ASP HA H 60 4.630 4.473 0.157 2
1 732 . 1 1 A 57 57 ASP CB C 60 42.700 40.529 2.171 2
1 735 . 1 1 A 57 57 ASP C C 60 177.900 177.148 0.752 2
1 736 . 1 1 A 58 58 GLY N N 61 114.600 113.963 0.637 2
1 737 . 1 1 A 58 58 GLY H H 61 9.700 9.331 0.369 2
1 738 . 1 1 A 58 58 GLY CA C 61 45.100 45.606 -0.506 2
1 739 . 1 1 A 58 58 GLY HA2 H 61 4.420 3.949 0.471 2
1 740 . 1 1 A 58 58 GLY HA3 H 61 3.770 3.960 -0.190 2
1 741 . 1 1 A 58 58 GLY C C 61 174.900 173.699 1.201 2
1 742 . 1 1 A 59 59 ASP N N 62 122.200 121.130 1.070 2
1 743 . 1 1 A 59 59 ASP H H 62 8.350 7.913 0.437 2
1 744 . 1 1 A 59 59 ASP CA C 62 55.900 53.417 2.483 2
1 745 . 1 1 A 59 59 ASP HA H 62 4.940 4.951 -0.011 2
1 746 . 1 1 A 59 59 ASP CB C 62 42.500 42.682 -0.182 2
1 749 . 1 1 A 59 59 ASP C C 62 176.000 175.516 0.484 2
1 750 . 1 1 A 60 60 ILE N N 63 119.100 124.002 -4.902 2
1 751 . 1 1 A 60 60 ILE H H 63 8.400 8.728 -0.328 2
1 752 . 1 1 A 60 60 ILE CA C 63 60.700 60.195 0.505 2
1 753 . 1 1 A 60 60 ILE HA H 63 4.690 4.878 -0.188 2
1 754 . 1 1 A 60 60 ILE CB C 63 39.700 39.927 -0.227 2
1 767 . 1 1 A 60 60 ILE C C 63 175.400 174.686 0.714 2
1 768 . 1 1 A 61 61 ILE N N 64 130.300 128.805 1.495 2
1 769 . 1 1 A 61 61 ILE H H 64 9.550 9.484 0.066 2
1 770 . 1 1 A 61 61 ILE CA C 64 58.300 60.401 -2.100 2
1 771 . 1 1 A 61 61 ILE HA H 64 5.230 4.875 0.355 2
1 772 . 1 1 A 61 61 ILE CB C 64 38.700 39.084 -0.384 2
1 785 . 1 1 A 61 61 ILE C C 64 174.400 174.646 -0.246 2
1 786 . 1 1 A 62 62 GLU N N 65 126.800 127.903 -1.104 2
1 787 . 1 1 A 62 62 GLU H H 65 9.340 9.293 0.047 2
1 788 . 1 1 A 62 62 GLU CA C 65 54.500 55.180 -0.680 2
1 789 . 1 1 A 62 62 GLU HA H 65 5.080 4.942 0.138 2
1 790 . 1 1 A 62 62 GLU CB C 65 33.300 31.201 2.099 2
1 796 . 1 1 A 62 62 GLU C C 65 174.300 175.423 -1.123 2
1 797 . 1 1 A 63 63 VAL N N 66 124.300 126.059 -1.759 2
1 798 . 1 1 A 63 63 VAL H H 66 8.710 8.845 -0.135 2
1 799 . 1 1 A 63 63 VAL CA C 66 61.900 61.901 -0.001 2
1 800 . 1 1 A 63 63 VAL HA H 66 4.420 4.709 -0.289 2
1 801 . 1 1 A 63 63 VAL CB C 66 32.600 32.310 0.290 2
1 811 . 1 1 A 63 63 VAL C C 66 175.300 174.930 0.370 2
1 812 . 1 1 A 64 64 ILE N N 67 131.200 128.269 2.931 2
1 813 . 1 1 A 64 64 ILE H H 67 9.180 9.328 -0.148 2
1 814 . 1 1 A 64 64 ILE CA C 67 60.200 60.283 -0.083 2
1 815 . 1 1 A 64 64 ILE HA H 67 4.360 4.709 -0.349 2
1 816 . 1 1 A 64 64 ILE CB C 67 40.400 38.754 1.646 2
1 829 . 1 1 A 64 64 ILE C C 67 175.300 175.647 -0.347 2
1 830 . 1 1 A 65 65 ARG N N 68 126.900 127.350 -0.450 2
1 831 . 1 1 A 65 65 ARG H H 68 9.020 8.482 0.538 2
1 832 . 1 1 A 65 65 ARG CA C 68 57.200 56.159 1.041 2
1 833 . 1 1 A 65 65 ARG HA H 68 4.480 4.372 0.108 2
1 834 . 1 1 A 65 65 ARG CB C 68 30.500 30.669 -0.169 2
1 843 . 1 1 A 65 65 ARG C C 68 176.800 175.735 1.065 2
1 844 . 1 1 A 66 66 VAL N N 69 122.300 121.938 0.362 2
1 845 . 1 1 A 66 66 VAL H H 69 8.280 8.395 -0.115 2
1 846 . 1 1 A 66 66 VAL CA C 69 62.200 61.727 0.473 2
1 847 . 1 1 A 66 66 VAL HA H 69 4.100 4.425 -0.325 2
1 848 . 1 1 A 66 66 VAL CB C 69 32.800 32.977 -0.177 2
1 858 . 1 1 A 66 66 VAL C C 69 175.500 175.138 0.362 2
1 859 . 1 1 A 67 67 ILE N N 70 124.000 128.145 -4.145 2
1 860 . 1 1 A 67 67 ILE H H 70 7.930 8.564 -0.634 2
1 861 . 1 1 A 67 67 ILE CA C 70 60.300 60.784 -0.484 2
1 862 . 1 1 A 67 67 ILE HA H 70 4.210 4.458 -0.248 2
1 863 . 1 1 A 67 67 ILE CB C 70 38.900 38.698 0.202 2
1 876 . 1 1 A 67 67 ILE C C 70 175.500 174.899 0.601 2
1 877 . 1 1 A 68 68 TYR N N 71 126.200 130.114 -3.914 2
1 878 . 1 1 A 68 68 TYR H H 71 8.450 8.927 -0.477 2
1 879 . 1 1 A 68 68 TYR CA C 71 57.900 57.388 0.512 2
1 880 . 1 1 A 68 68 TYR HA H 71 4.590 4.893 -0.303 2
1 881 . 1 1 A 68 68 TYR CB C 71 39.000 39.464 -0.464 2
1 886 . 1 1 A 68 68 TYR C C 71 176.200 175.179 1.021 2
1 887 . 1 1 A 69 69 GLY N N 72 112.000 111.178 0.822 2
1 888 . 1 1 A 69 69 GLY H H 72 8.370 8.298 0.072 2
1 889 . 1 1 A 69 69 GLY CA C 72 45.300 45.822 -0.522 2
1 890 . 1 1 A 69 69 GLY HA2 H 72 3.910 3.934 -0.024 2
1 891 . 1 1 A 69 69 GLY HA3 H 72 3.910 3.995 -0.085 2
1 892 . 1 1 A 69 69 GLY C C 72 173.500 173.435 0.065 2
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