data_16320_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16320
_Entry.PDB_ID 2KJG
_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 1 . 1 1 1 A 3 3 ILE H H 3 8.310 8.365 -0.055 1
1 2 . 1 1 1 A 3 3 ILE HA H 3 3.740 4.117 -0.377 1
1 12 . 1 1 1 A 3 3 ILE C C 3 175.200 176.374 -1.174 1
1 13 . 1 1 1 A 3 3 ILE CA C 3 64.200 60.058 4.142 1
1 14 . 1 1 1 A 3 3 ILE CB C 3 37.400 39.584 -2.184 1
1 18 . 1 1 1 A 3 3 ILE N N 3 124.900 121.494 3.406 1
1 19 . 1 1 1 A 4 4 LEU H H 4 7.270 7.631 -0.361 1
1 20 . 1 1 1 A 4 4 LEU HA H 4 3.680 4.347 -0.667 1
1 30 . 1 1 1 A 4 4 LEU C C 4 177.300 178.157 -0.857 1
1 31 . 1 1 1 A 4 4 LEU CA C 4 56.300 54.939 1.361 1
1 32 . 1 1 1 A 4 4 LEU CB C 4 41.100 42.452 -1.352 1
1 36 . 1 1 1 A 4 4 LEU N N 4 116.100 122.563 -6.463 1
1 37 . 1 1 1 A 5 5 GLU H H 5 7.350 8.101 -0.751 1
1 38 . 1 1 1 A 5 5 GLU HA H 5 4.290 4.243 0.047 1
1 43 . 1 1 1 A 5 5 GLU C C 5 176.300 175.932 0.368 1
1 44 . 1 1 1 A 5 5 GLU CA C 5 55.200 59.031 -3.831 1
1 45 . 1 1 1 A 5 5 GLU CB C 5 30.000 29.532 0.468 1
1 47 . 1 1 1 A 5 5 GLU N N 5 114.200 117.140 -2.940 1
1 48 . 1 1 1 A 6 6 ASP H H 6 7.860 7.790 0.070 1
1 49 . 1 1 1 A 6 6 ASP HA H 6 4.830 4.983 -0.153 1
1 52 . 1 1 1 A 6 6 ASP C C 6 175.500 175.587 -0.087 1
1 53 . 1 1 1 A 6 6 ASP CA C 6 53.000 50.751 2.249 1
1 54 . 1 1 1 A 6 6 ASP CB C 6 40.800 42.836 -2.036 1
1 55 . 1 1 1 A 6 6 ASP N N 6 125.000 121.574 3.426 1
1 56 . 1 1 1 A 7 7 PRO HA H 7 4.240 4.327 -0.087 1
1 63 . 1 1 1 A 7 7 PRO C C 7 179.000 178.655 0.345 1
1 64 . 1 1 1 A 7 7 PRO CA C 7 65.700 64.629 1.071 1
1 65 . 1 1 1 A 7 7 PRO CB C 7 32.300 32.158 0.142 1
1 68 . 1 1 1 A 8 8 GLU H H 8 9.250 8.842 0.408 1
1 69 . 1 1 1 A 8 8 GLU HA H 8 4.120 4.154 -0.034 1
1 74 . 1 1 1 A 8 8 GLU C C 8 178.100 179.029 -0.929 1
1 75 . 1 1 1 A 8 8 GLU CA C 8 60.000 59.360 0.640 1
1 76 . 1 1 1 A 8 8 GLU CB C 8 29.200 29.269 -0.069 1
1 78 . 1 1 1 A 8 8 GLU N N 8 117.600 117.946 -0.346 1
1 79 . 1 1 1 A 9 9 PHE H H 9 7.640 7.908 -0.268 1
1 80 . 1 1 1 A 9 9 PHE HA H 9 4.130 4.072 0.058 1
1 87 . 1 1 1 A 9 9 PHE C C 9 178.600 177.780 0.820 1
1 88 . 1 1 1 A 9 9 PHE CA C 9 62.200 61.533 0.667 1
1 89 . 1 1 1 A 9 9 PHE CB C 9 40.400 39.533 0.867 1
1 94 . 1 1 1 A 9 9 PHE N N 9 118.200 123.437 -5.237 1
1 95 . 1 1 1 A 10 10 VAL H H 10 8.220 8.295 -0.075 1
1 96 . 1 1 1 A 10 10 VAL HA H 10 3.590 3.684 -0.094 1
1 104 . 1 1 1 A 10 10 VAL C C 10 179.400 177.559 1.841 1
1 105 . 1 1 1 A 10 10 VAL CA C 10 66.800 64.420 2.380 1
1 106 . 1 1 1 A 10 10 VAL CB C 10 31.700 31.136 0.564 1
1 109 . 1 1 1 A 10 10 VAL N N 10 120.300 118.739 1.561 1
1 110 . 1 1 1 A 11 11 LYS H H 11 7.760 7.452 0.308 1
1 111 . 1 1 1 A 11 11 LYS HA H 11 4.050 3.729 0.321 1
1 120 . 1 1 1 A 11 11 LYS C C 11 179.000 179.449 -0.449 1
1 121 . 1 1 1 A 11 11 LYS CA C 11 59.300 59.817 -0.517 1
1 122 . 1 1 1 A 11 11 LYS CB C 11 32.600 32.227 0.373 1
1 126 . 1 1 1 A 11 11 LYS N N 11 119.600 122.396 -2.796 1
1 127 . 1 1 1 A 12 12 LEU H H 12 7.750 8.014 -0.264 1
1 128 . 1 1 1 A 12 12 LEU HA H 12 4.190 4.121 0.069 1
1 138 . 1 1 1 A 12 12 LEU C C 12 178.400 179.248 -0.848 1
1 139 . 1 1 1 A 12 12 LEU CA C 12 57.800 57.950 -0.150 1
1 140 . 1 1 1 A 12 12 LEU CB C 12 41.900 41.375 0.525 1
1 144 . 1 1 1 A 12 12 LEU N N 12 119.900 120.197 -0.297 1
1 145 . 1 1 1 A 13 13 ARG H H 13 7.600 7.911 -0.311 1
1 146 . 1 1 1 A 13 13 ARG HA H 13 3.940 3.806 0.134 1
1 153 . 1 1 1 A 13 13 ARG C C 13 178.600 178.839 -0.239 1
1 154 . 1 1 1 A 13 13 ARG CA C 13 59.000 59.438 -0.438 1
1 155 . 1 1 1 A 13 13 ARG CB C 13 30.200 29.571 0.629 1
1 158 . 1 1 1 A 13 13 ARG N N 13 115.300 118.540 -3.240 1
1 159 . 1 1 1 A 14 14 GLN H H 14 7.770 8.029 -0.259 1
1 160 . 1 1 1 A 14 14 GLN HA H 14 4.130 3.952 0.178 1
1 167 . 1 1 1 A 14 14 GLN C C 14 176.500 178.589 -2.089 1
1 168 . 1 1 1 A 14 14 GLN CA C 14 57.100 58.693 -1.593 1
1 169 . 1 1 1 A 14 14 GLN CB C 14 28.200 28.140 0.060 1
1 171 . 1 1 1 A 14 14 GLN N N 14 116.400 119.514 -3.114 1
1 173 . 1 1 1 A 15 15 PHE H H 15 8.030 7.346 0.684 1
1 174 . 1 1 1 A 15 15 PHE HA H 15 4.220 4.583 -0.363 1
1 181 . 1 1 1 A 15 15 PHE C C 15 175.200 175.161 0.039 1
1 182 . 1 1 1 A 15 15 PHE CA C 15 59.100 58.160 0.940 1
1 183 . 1 1 1 A 15 15 PHE CB C 15 38.800 39.084 -0.284 1
1 188 . 1 1 1 A 15 15 PHE N N 15 116.800 118.241 -1.441 1
1 189 . 1 1 1 A 16 16 LYS H H 16 7.470 7.855 -0.385 1
1 190 . 1 1 1 A 16 16 LYS HA H 16 4.190 3.921 0.269 1
1 191 . 1 1 1 A 16 16 LYS CA C 16 58.400 57.512 0.888 1
1 192 . 1 1 1 A 16 16 LYS CB C 16 33.300 30.473 2.827 1
1 193 . 1 1 1 A 16 16 LYS N N 16 122.500 116.049 6.451 1
1 194 . 1 1 1 A 17 17 GLY HA2 H 17 3.920 3.834 0.086 1
1 195 . 1 1 1 A 17 17 GLY HA3 H 17 4.210 3.855 0.355 1
1 196 . 1 1 1 A 17 17 GLY C C 17 174.300 174.778 -0.478 1
1 197 . 1 1 1 A 17 17 GLY CA C 17 46.200 46.468 -0.268 1
1 198 . 1 1 1 A 18 18 LYS H H 18 8.230 7.739 0.491 1
1 199 . 1 1 1 A 18 18 LYS HA H 18 4.550 3.770 0.780 1
1 208 . 1 1 1 A 18 18 LYS C C 18 175.800 174.692 1.108 1
1 209 . 1 1 1 A 18 18 LYS CA C 18 56.100 57.837 -1.737 1
1 210 . 1 1 1 A 18 18 LYS CB C 18 33.700 29.725 3.975 1
1 214 . 1 1 1 A 18 18 LYS N N 18 118.100 116.991 1.109 1
1 215 . 1 1 1 A 19 19 VAL H H 19 7.150 7.551 -0.401 1
1 216 . 1 1 1 A 19 19 VAL HA H 19 4.400 4.453 -0.053 1
1 224 . 1 1 1 A 19 19 VAL CA C 19 58.800 59.480 -0.680 1
1 225 . 1 1 1 A 19 19 VAL CB C 19 34.300 33.778 0.522 1
1 228 . 1 1 1 A 19 19 VAL N N 19 111.100 116.784 -5.684 1
1 229 . 1 1 1 A 20 20 ASN HA H 20 4.660 4.848 -0.188 1
1 234 . 1 1 1 A 20 20 ASN C C 20 174.600 176.060 -1.460 1
1 235 . 1 1 1 A 20 20 ASN CA C 20 52.700 52.529 0.171 1
1 236 . 1 1 1 A 20 20 ASN CB C 20 37.900 38.951 -1.051 1
1 238 . 1 1 1 A 21 21 PHE H H 21 8.580 9.032 -0.452 1
1 239 . 1 1 1 A 21 21 PHE HA H 21 3.730 3.985 -0.255 1
1 247 . 1 1 1 A 21 21 PHE C C 21 175.300 177.124 -1.824 1
1 248 . 1 1 1 A 21 21 PHE CA C 21 62.500 62.161 0.339 1
1 249 . 1 1 1 A 21 21 PHE CB C 21 40.400 39.383 1.017 1
1 255 . 1 1 1 A 21 21 PHE N N 21 128.200 127.389 0.811 1
1 256 . 1 1 1 A 22 22 ASN H H 22 8.220 8.200 0.020 1
1 257 . 1 1 1 A 22 22 ASN HA H 22 4.300 4.291 0.009 1
1 262 . 1 1 1 A 22 22 ASN C C 22 177.800 177.829 -0.029 1
1 263 . 1 1 1 A 22 22 ASN CA C 22 56.400 56.167 0.233 1
1 264 . 1 1 1 A 22 22 ASN CB C 22 37.900 38.342 -0.442 1
1 265 . 1 1 1 A 22 22 ASN N N 22 114.600 118.009 -3.409 1
1 267 . 1 1 1 A 23 23 LEU H H 23 7.440 7.740 -0.300 1
1 268 . 1 1 1 A 23 23 LEU HA H 23 4.190 4.071 0.119 1
1 278 . 1 1 1 A 23 23 LEU C C 23 177.800 178.716 -0.916 1
1 279 . 1 1 1 A 23 23 LEU CA C 23 56.900 57.761 -0.861 1
1 280 . 1 1 1 A 23 23 LEU CB C 23 41.400 41.904 -0.504 1
1 284 . 1 1 1 A 23 23 LEU N N 23 122.500 120.811 1.689 1
1 285 . 1 1 1 A 24 24 VAL H H 24 7.930 8.419 -0.489 1
1 286 . 1 1 1 A 24 24 VAL HA H 24 3.560 3.569 -0.009 1
1 294 . 1 1 1 A 24 24 VAL C C 24 177.500 177.513 -0.013 1
1 295 . 1 1 1 A 24 24 VAL CA C 24 67.200 66.975 0.225 1
1 296 . 1 1 1 A 24 24 VAL CB C 24 31.000 31.315 -0.315 1
1 299 . 1 1 1 A 24 24 VAL N N 24 119.400 118.956 0.444 1
1 300 . 1 1 1 A 25 25 MET H H 25 8.020 8.258 -0.238 1
1 301 . 1 1 1 A 25 25 MET HA H 25 3.640 3.998 -0.358 1
1 309 . 1 1 1 A 25 25 MET C C 25 176.800 178.190 -1.390 1
1 310 . 1 1 1 A 25 25 MET CA C 25 60.000 58.312 1.688 1
1 311 . 1 1 1 A 25 25 MET CB C 25 32.900 31.440 1.460 1
1 314 . 1 1 1 A 25 25 MET N N 25 116.600 120.121 -3.521 1
1 315 . 1 1 1 A 26 26 GLN H H 26 7.530 7.586 -0.056 1
1 316 . 1 1 1 A 26 26 GLN HA H 26 4.050 4.123 -0.073 1
1 323 . 1 1 1 A 26 26 GLN C C 26 177.800 178.480 -0.680 1
1 324 . 1 1 1 A 26 26 GLN CA C 26 59.100 58.819 0.281 1
1 325 . 1 1 1 A 26 26 GLN CB C 26 28.100 28.488 -0.388 1
1 327 . 1 1 1 A 26 26 GLN N N 26 118.200 118.559 -0.359 1
1 329 . 1 1 1 A 27 27 ILE H H 27 8.230 8.344 -0.114 1
1 330 . 1 1 1 A 27 27 ILE HA H 27 3.350 3.439 -0.089 1
1 340 . 1 1 1 A 27 27 ILE C C 27 177.700 178.421 -0.721 1
1 341 . 1 1 1 A 27 27 ILE CA C 27 65.900 65.813 0.087 1
1 342 . 1 1 1 A 27 27 ILE CB C 27 37.900 38.142 -0.242 1
1 346 . 1 1 1 A 27 27 ILE N N 27 120.700 120.612 0.088 1
1 347 . 1 1 1 A 28 28 LEU H H 28 8.550 8.601 -0.051 1
1 348 . 1 1 1 A 28 28 LEU HA H 28 4.020 3.956 0.064 1
1 358 . 1 1 1 A 28 28 LEU C C 28 179.900 178.956 0.944 1
1 359 . 1 1 1 A 28 28 LEU CA C 28 58.400 58.207 0.193 1
1 360 . 1 1 1 A 28 28 LEU CB C 28 39.700 41.016 -1.316 1
1 364 . 1 1 1 A 28 28 LEU N N 28 118.900 118.602 0.298 1
1 365 . 1 1 1 A 29 29 ASP H H 29 8.470 8.213 0.257 1
1 366 . 1 1 1 A 29 29 ASP HA H 29 4.440 4.257 0.183 1
1 369 . 1 1 1 A 29 29 ASP C C 29 179.600 178.427 1.173 1
1 370 . 1 1 1 A 29 29 ASP CA C 29 57.400 57.958 -0.558 1
1 371 . 1 1 1 A 29 29 ASP CB C 29 40.400 41.264 -0.864 1
1 372 . 1 1 1 A 29 29 ASP N N 29 120.700 119.429 1.271 1
1 373 . 1 1 1 A 30 30 GLU H H 30 8.630 8.673 -0.043 1
1 374 . 1 1 1 A 30 30 GLU HA H 30 3.980 4.065 -0.085 1
1 379 . 1 1 1 A 30 30 GLU C C 30 180.600 178.884 1.716 1
1 380 . 1 1 1 A 30 30 GLU CA C 30 60.000 59.117 0.883 1
1 381 . 1 1 1 A 30 30 GLU CB C 30 29.900 29.637 0.263 1
1 383 . 1 1 1 A 30 30 GLU N N 30 120.800 118.897 1.903 1
1 384 . 1 1 1 A 31 31 ILE H H 31 8.520 7.735 0.785 1
1 385 . 1 1 1 A 31 31 ILE HA H 31 3.540 3.892 -0.352 1
1 395 . 1 1 1 A 31 31 ILE C C 31 176.400 178.068 -1.668 1
1 396 . 1 1 1 A 31 31 ILE CA C 31 66.600 63.843 2.757 1
1 397 . 1 1 1 A 31 31 ILE CB C 31 37.800 37.459 0.341 1
1 401 . 1 1 1 A 31 31 ILE N N 31 123.100 120.030 3.070 1
1 402 . 1 1 1 A 32 32 GLU H H 32 8.070 8.315 -0.245 1
1 403 . 1 1 1 A 32 32 GLU HA H 32 3.730 4.024 -0.294 1
1 408 . 1 1 1 A 32 32 GLU C C 32 178.400 178.934 -0.534 1
1 409 . 1 1 1 A 32 32 GLU CA C 32 60.800 59.178 1.622 1
1 410 . 1 1 1 A 32 32 GLU CB C 32 28.800 29.620 -0.820 1
1 412 . 1 1 1 A 32 32 GLU N N 32 120.300 121.256 -0.956 1
1 413 . 1 1 1 A 33 33 LEU H H 33 8.160 8.419 -0.259 1
1 414 . 1 1 1 A 33 33 LEU HA H 33 3.980 3.952 0.028 1
1 424 . 1 1 1 A 33 33 LEU C C 33 180.100 178.363 1.737 1
1 425 . 1 1 1 A 33 33 LEU CA C 33 58.000 58.145 -0.145 1
1 426 . 1 1 1 A 33 33 LEU CB C 33 42.100 41.289 0.811 1
1 430 . 1 1 1 A 33 33 LEU N N 33 117.900 119.674 -1.774 1
1 431 . 1 1 1 A 34 34 ASP H H 34 8.200 8.082 0.118 1
1 432 . 1 1 1 A 34 34 ASP HA H 34 4.290 4.363 -0.073 1
1 435 . 1 1 1 A 34 34 ASP C C 34 178.600 178.453 0.147 1
1 436 . 1 1 1 A 34 34 ASP CA C 34 58.200 57.740 0.460 1
1 437 . 1 1 1 A 34 34 ASP CB C 34 42.800 41.269 1.531 1
1 438 . 1 1 1 A 34 34 ASP N N 34 120.500 119.630 0.870 1
1 439 . 1 1 1 A 35 35 LEU H H 35 8.630 8.113 0.517 1
1 440 . 1 1 1 A 35 35 LEU HA H 35 4.360 4.077 0.283 1
1 450 . 1 1 1 A 35 35 LEU C C 35 179.000 178.836 0.164 1
1 451 . 1 1 1 A 35 35 LEU CA C 35 56.400 57.421 -1.021 1
1 452 . 1 1 1 A 35 35 LEU CB C 35 42.800 40.947 1.853 1
1 456 . 1 1 1 A 35 35 LEU N N 35 121.300 120.437 0.863 1
1 457 . 1 1 1 A 36 36 ARG H H 36 7.410 8.162 -0.752 1
1 458 . 1 1 1 A 36 36 ARG HA H 36 4.050 4.077 -0.027 1
1 465 . 1 1 1 A 36 36 ARG C C 36 177.800 179.687 -1.887 1
1 466 . 1 1 1 A 36 36 ARG CA C 36 59.000 59.186 -0.186 1
1 467 . 1 1 1 A 36 36 ARG CB C 36 30.000 30.018 -0.018 1
1 470 . 1 1 1 A 36 36 ARG N N 36 117.000 119.447 -2.447 1
1 471 . 1 1 1 A 37 37 GLY H H 37 7.580 7.861 -0.281 1
1 472 . 1 1 1 A 37 37 GLY HA2 H 37 3.830 3.948 -0.118 1
1 473 . 1 1 1 A 37 37 GLY HA3 H 37 4.280 3.953 0.327 1
1 474 . 1 1 1 A 37 37 GLY C C 37 174.800 174.277 0.523 1
1 475 . 1 1 1 A 37 37 GLY CA C 37 45.200 46.582 -1.382 1
1 476 . 1 1 1 A 37 37 GLY N N 37 103.600 108.539 -4.939 1
1 477 . 1 1 1 A 38 38 SER H H 38 8.380 8.488 -0.108 1
1 478 . 1 1 1 A 38 38 SER HA H 38 4.330 4.761 -0.431 1
1 481 . 1 1 1 A 38 38 SER C C 38 175.100 174.107 0.993 1
1 482 . 1 1 1 A 38 38 SER CA C 38 58.700 57.286 1.414 1
1 483 . 1 1 1 A 38 38 SER CB C 38 63.800 65.237 -1.437 1
1 484 . 1 1 1 A 38 38 SER N N 38 117.800 117.019 0.781 1
1 485 . 1 1 1 A 39 39 ASP H H 39 8.520 8.489 0.031 1
1 486 . 1 1 1 A 39 39 ASP HA H 39 4.470 4.962 -0.492 1
1 489 . 1 1 1 A 39 39 ASP C C 39 175.300 175.342 -0.042 1
1 490 . 1 1 1 A 39 39 ASP CA C 39 55.400 53.291 2.109 1
1 491 . 1 1 1 A 39 39 ASP CB C 39 41.500 42.607 -1.107 1
1 492 . 1 1 1 A 39 39 ASP N N 39 120.500 118.501 1.999 1
1 493 . 1 1 1 A 40 40 ASN H H 40 8.230 7.887 0.343 1
1 494 . 1 1 1 A 40 40 ASN HA H 40 4.800 4.965 -0.165 1
1 499 . 1 1 1 A 40 40 ASN C C 40 174.600 175.176 -0.576 1
1 500 . 1 1 1 A 40 40 ASN CA C 40 52.900 51.913 0.987 1
1 501 . 1 1 1 A 40 40 ASN CB C 40 39.500 39.175 0.325 1
1 502 . 1 1 1 A 40 40 ASN N N 40 116.100 118.869 -2.769 1
1 504 . 1 1 1 A 41 41 ILE H H 41 8.340 8.519 -0.179 1
1 505 . 1 1 1 A 41 41 ILE HA H 41 3.840 3.900 -0.060 1
1 515 . 1 1 1 A 41 41 ILE C C 41 175.000 177.771 -2.771 1
1 516 . 1 1 1 A 41 41 ILE CA C 41 62.500 62.701 -0.201 1
1 517 . 1 1 1 A 41 41 ILE CB C 41 37.600 37.824 -0.224 1
1 521 . 1 1 1 A 41 41 ILE N N 41 124.800 127.023 -2.223 1
1 522 . 1 1 1 A 42 42 LYS H H 42 7.790 7.646 0.144 1
1 523 . 1 1 1 A 42 42 LYS HA H 42 3.780 3.924 -0.144 1
1 532 . 1 1 1 A 42 42 LYS C C 42 178.300 179.240 -0.940 1
1 533 . 1 1 1 A 42 42 LYS CA C 42 60.200 59.239 0.961 1
1 534 . 1 1 1 A 42 42 LYS CB C 42 31.800 32.211 -0.411 1
1 538 . 1 1 1 A 42 42 LYS N N 42 122.100 122.615 -0.515 1
1 539 . 1 1 1 A 43 43 THR H H 43 7.500 8.135 -0.635 1
1 540 . 1 1 1 A 43 43 THR HA H 43 3.790 3.649 0.141 1
1 545 . 1 1 1 A 43 43 THR C C 43 177.100 176.129 0.971 1
1 546 . 1 1 1 A 43 43 THR CA C 43 65.900 66.310 -0.410 1
1 547 . 1 1 1 A 43 43 THR CB C 43 68.400 68.184 0.216 1
1 549 . 1 1 1 A 43 43 THR N N 43 112.900 117.211 -4.311 1
1 550 . 1 1 1 A 44 44 SER H H 44 7.860 7.834 0.026 1
1 551 . 1 1 1 A 44 44 SER HA H 44 4.570 4.291 0.279 1
1 554 . 1 1 1 A 44 44 SER C C 44 175.100 176.052 -0.952 1
1 555 . 1 1 1 A 44 44 SER CA C 44 63.600 62.200 1.400 1
1 556 . 1 1 1 A 44 44 SER CB C 44 63.900 63.019 0.881 1
1 557 . 1 1 1 A 44 44 SER N N 44 119.700 117.208 2.492 1
1 558 . 1 1 1 A 45 45 ILE H H 45 8.240 8.029 0.211 1
1 559 . 1 1 1 A 45 45 ILE HA H 45 3.140 3.518 -0.378 1
1 569 . 1 1 1 A 45 45 ILE C C 45 176.500 178.007 -1.507 1
1 570 . 1 1 1 A 45 45 ILE CA C 45 66.200 64.698 1.502 1
1 571 . 1 1 1 A 45 45 ILE CB C 45 37.800 37.492 0.308 1
1 575 . 1 1 1 A 45 45 ILE N N 45 121.300 120.626 0.674 1
1 576 . 1 1 1 A 46 46 ILE H H 46 7.680 7.816 -0.136 1
1 577 . 1 1 1 A 46 46 ILE HA H 46 3.480 3.530 -0.050 1
1 587 . 1 1 1 A 46 46 ILE C C 46 178.900 177.788 1.112 1
1 588 . 1 1 1 A 46 46 ILE CA C 46 65.300 65.191 0.109 1
1 589 . 1 1 1 A 46 46 ILE CB C 46 37.800 37.872 -0.072 1
1 593 . 1 1 1 A 46 46 ILE N N 46 117.100 119.790 -2.690 1
1 594 . 1 1 1 A 47 47 TYR H H 47 8.400 7.649 0.751 1
1 595 . 1 1 1 A 47 47 TYR HA H 47 4.190 4.408 -0.218 1
1 602 . 1 1 1 A 47 47 TYR C C 47 178.700 178.588 0.112 1
1 603 . 1 1 1 A 47 47 TYR CA C 47 61.300 61.031 0.269 1
1 604 . 1 1 1 A 47 47 TYR CB C 47 38.400 38.521 -0.121 1
1 609 . 1 1 1 A 47 47 TYR N N 47 120.900 120.035 0.865 1
1 610 . 1 1 1 A 48 48 VAL H H 48 8.480 7.934 0.546 1
1 611 . 1 1 1 A 48 48 VAL HA H 48 3.560 3.787 -0.227 1
1 619 . 1 1 1 A 48 48 VAL C C 48 179.600 177.835 1.765 1
1 620 . 1 1 1 A 48 48 VAL CA C 48 67.000 66.372 0.628 1
1 621 . 1 1 1 A 48 48 VAL CB C 48 31.700 31.775 -0.075 1
1 624 . 1 1 1 A 48 48 VAL N N 48 121.600 119.757 1.843 1
1 625 . 1 1 1 A 49 49 TYR H H 49 9.630 8.462 1.168 1
1 626 . 1 1 1 A 49 49 TYR HA H 49 4.080 4.015 0.065 1
1 633 . 1 1 1 A 49 49 TYR C C 49 179.300 178.143 1.157 1
1 634 . 1 1 1 A 49 49 TYR CA C 49 59.900 61.008 -1.108 1
1 635 . 1 1 1 A 49 49 TYR CB C 49 35.300 37.899 -2.599 1
1 640 . 1 1 1 A 49 49 TYR N N 49 122.000 119.403 2.597 1
1 641 . 1 1 1 A 50 50 SER H H 50 8.120 8.237 -0.117 1
1 642 . 1 1 1 A 50 50 SER HA H 50 4.130 4.151 -0.021 1
1 645 . 1 1 1 A 50 50 SER C C 50 175.700 176.809 -1.109 1
1 646 . 1 1 1 A 50 50 SER CA C 50 62.000 61.280 0.720 1
1 647 . 1 1 1 A 50 50 SER CB C 50 62.900 63.023 -0.123 1
1 648 . 1 1 1 A 50 50 SER N N 50 112.600 116.431 -3.831 1
1 649 . 1 1 1 A 51 51 SER H H 51 7.510 8.143 -0.633 1
1 650 . 1 1 1 A 51 51 SER HA H 51 4.350 4.151 0.199 1
1 653 . 1 1 1 A 51 51 SER C C 51 173.600 176.049 -2.449 1
1 654 . 1 1 1 A 51 51 SER CA C 51 59.500 61.342 -1.842 1
1 655 . 1 1 1 A 51 51 SER CB C 51 63.300 62.782 0.518 1
1 656 . 1 1 1 A 51 51 SER N N 51 116.800 115.956 0.844 1
1 657 . 1 1 1 A 52 52 HIS H H 52 7.590 8.252 -0.662 1
1 658 . 1 1 1 A 52 52 HIS HA H 52 4.890 4.861 0.029 1
1 663 . 1 1 1 A 52 52 HIS C C 52 175.200 175.476 -0.276 1
1 664 . 1 1 1 A 52 52 HIS CA C 52 54.100 54.867 -0.767 1
1 665 . 1 1 1 A 52 52 HIS CB C 52 29.500 29.235 0.265 1
1 668 . 1 1 1 A 52 52 HIS N N 52 120.500 116.053 4.447 1
1 669 . 1 1 1 A 53 53 LEU H H 53 7.440 7.771 -0.331 1
1 670 . 1 1 1 A 53 53 LEU HA H 53 3.870 3.766 0.104 1
1 680 . 1 1 1 A 53 53 LEU C C 53 177.900 178.557 -0.657 1
1 681 . 1 1 1 A 53 53 LEU CA C 53 59.100 58.187 0.913 1
1 682 . 1 1 1 A 53 53 LEU CB C 53 42.300 41.359 0.941 1
1 686 . 1 1 1 A 53 53 LEU N N 53 121.400 121.028 0.372 1
1 687 . 1 1 1 A 54 54 ASP H H 54 8.400 8.103 0.297 1
1 688 . 1 1 1 A 54 54 ASP HA H 54 4.290 4.203 0.087 1
1 691 . 1 1 1 A 54 54 ASP C C 54 177.900 178.968 -1.068 1
1 692 . 1 1 1 A 54 54 ASP CA C 54 57.600 57.926 -0.326 1
1 693 . 1 1 1 A 54 54 ASP CB C 54 40.200 42.042 -1.842 1
1 694 . 1 1 1 A 54 54 ASP N N 54 115.900 119.511 -3.611 1
1 695 . 1 1 1 A 55 55 GLU H H 55 7.500 7.772 -0.272 1
1 696 . 1 1 1 A 55 55 GLU HA H 55 4.310 4.148 0.162 1
1 701 . 1 1 1 A 55 55 GLU C C 55 178.300 179.147 -0.847 1
1 702 . 1 1 1 A 55 55 GLU CA C 55 57.800 58.660 -0.860 1
1 703 . 1 1 1 A 55 55 GLU CB C 55 29.100 29.258 -0.158 1
1 705 . 1 1 1 A 55 55 GLU N N 55 120.100 119.041 1.059 1
1 706 . 1 1 1 A 56 56 ILE H H 56 7.720 7.872 -0.152 1
1 707 . 1 1 1 A 56 56 ILE HA H 56 3.440 3.092 0.348 1
1 717 . 1 1 1 A 56 56 ILE C C 56 178.600 178.442 0.158 1
1 718 . 1 1 1 A 56 56 ILE CA C 56 62.500 65.146 -2.646 1
1 719 . 1 1 1 A 56 56 ILE CB C 56 36.200 37.469 -1.269 1
1 723 . 1 1 1 A 56 56 ILE N N 56 119.600 120.574 -0.974 1
1 724 . 1 1 1 A 57 57 ARG H H 57 8.200 8.458 -0.258 1
1 725 . 1 1 1 A 57 57 ARG HA H 57 3.930 4.127 -0.197 1
1 732 . 1 1 1 A 57 57 ARG C C 57 178.800 178.632 0.168 1
1 733 . 1 1 1 A 57 57 ARG CA C 57 59.000 58.054 0.946 1
1 734 . 1 1 1 A 57 57 ARG CB C 57 30.100 29.214 0.886 1
1 737 . 1 1 1 A 57 57 ARG N N 57 115.500 120.709 -5.209 1
1 738 . 1 1 1 A 58 58 LYS H H 58 7.400 7.376 0.024 1
1 739 . 1 1 1 A 58 58 LYS HA H 58 4.210 4.076 0.134 1
1 748 . 1 1 1 A 58 58 LYS C C 58 176.800 177.299 -0.499 1
1 749 . 1 1 1 A 58 58 LYS CA C 58 58.100 59.393 -1.293 1
1 750 . 1 1 1 A 58 58 LYS CB C 58 33.100 32.903 0.197 1
1 754 . 1 1 1 A 58 58 LYS N N 58 117.400 120.407 -3.007 1
1 755 . 1 1 1 A 59 59 ASN H H 59 7.630 7.811 -0.181 1
1 756 . 1 1 1 A 59 59 ASN HA H 59 5.310 5.164 0.146 1
1 761 . 1 1 1 A 59 59 ASN C C 59 174.900 175.632 -0.732 1
1 762 . 1 1 1 A 59 59 ASN CA C 59 52.100 52.492 -0.392 1
1 763 . 1 1 1 A 59 59 ASN CB C 59 40.200 38.795 1.405 1
1 764 . 1 1 1 A 59 59 ASN N N 59 119.200 115.680 3.520 1
1 766 . 1 1 1 A 60 60 LYS H H 60 7.460 8.178 -0.718 1
1 767 . 1 1 1 A 60 60 LYS HA H 60 4.070 4.396 -0.326 1
1 776 . 1 1 1 A 60 60 LYS C C 60 177.900 178.454 -0.554 1
1 777 . 1 1 1 A 60 60 LYS CA C 60 61.100 59.446 1.654 1
1 778 . 1 1 1 A 60 60 LYS CB C 60 33.300 32.014 1.286 1
1 782 . 1 1 1 A 60 60 LYS N N 60 122.700 118.925 3.775 1
1 783 . 1 1 1 A 61 61 GLU H H 61 8.660 7.890 0.770 1
1 784 . 1 1 1 A 61 61 GLU HA H 61 4.080 4.019 0.061 1
1 789 . 1 1 1 A 61 61 GLU C C 61 178.900 178.990 -0.090 1
1 790 . 1 1 1 A 61 61 GLU CA C 61 60.100 59.111 0.989 1
1 791 . 1 1 1 A 61 61 GLU CB C 61 29.100 29.253 -0.153 1
1 793 . 1 1 1 A 61 61 GLU N N 61 117.300 119.778 -2.478 1
1 794 . 1 1 1 A 62 62 PHE H H 62 7.670 8.015 -0.345 1
1 795 . 1 1 1 A 62 62 PHE HA H 62 3.420 4.156 -0.736 1
1 803 . 1 1 1 A 62 62 PHE C C 62 176.200 176.985 -0.785 1
1 804 . 1 1 1 A 62 62 PHE CA C 62 60.900 61.303 -0.403 1
1 805 . 1 1 1 A 62 62 PHE CB C 62 38.300 38.901 -0.601 1
1 811 . 1 1 1 A 62 62 PHE N N 62 119.300 121.250 -1.950 1
1 812 . 1 1 1 A 63 63 TYR H H 63 7.850 8.593 -0.743 1
1 813 . 1 1 1 A 63 63 TYR HA H 63 3.870 4.209 -0.339 1
1 820 . 1 1 1 A 63 63 TYR C C 63 180.200 177.820 2.380 1
1 821 . 1 1 1 A 63 63 TYR CA C 63 63.500 61.565 1.935 1
1 822 . 1 1 1 A 63 63 TYR CB C 63 37.100 37.324 -0.224 1
1 827 . 1 1 1 A 63 63 TYR N N 63 116.500 117.413 -0.913 1
1 828 . 1 1 1 A 64 64 ASP H H 64 9.110 8.531 0.579 1
1 829 . 1 1 1 A 64 64 ASP HA H 64 4.650 4.452 0.198 1
1 832 . 1 1 1 A 64 64 ASP C C 64 178.700 178.602 0.098 1
1 833 . 1 1 1 A 64 64 ASP CA C 64 57.600 57.428 0.172 1
1 834 . 1 1 1 A 64 64 ASP CB C 64 39.800 41.041 -1.241 1
1 835 . 1 1 1 A 64 64 ASP N N 64 126.100 121.447 4.653 1
1 836 . 1 1 1 A 65 65 MET H H 65 7.600 8.175 -0.575 1
1 837 . 1 1 1 A 65 65 MET HA H 65 4.140 4.213 -0.073 1
1 845 . 1 1 1 A 65 65 MET C C 65 178.800 178.024 0.776 1
1 846 . 1 1 1 A 65 65 MET CA C 65 59.300 58.628 0.672 1
1 847 . 1 1 1 A 65 65 MET CB C 65 32.800 33.161 -0.361 1
1 850 . 1 1 1 A 65 65 MET N N 65 121.100 117.920 3.180 1
1 851 . 1 1 1 A 66 66 ILE H H 66 7.910 8.075 -0.165 1
1 852 . 1 1 1 A 66 66 ILE HA H 66 3.430 3.779 -0.349 1
1 862 . 1 1 1 A 66 66 ILE C C 66 177.000 177.945 -0.945 1
1 863 . 1 1 1 A 66 66 ILE CA C 66 64.500 64.216 0.284 1
1 864 . 1 1 1 A 66 66 ILE CB C 66 36.700 37.384 -0.684 1
1 868 . 1 1 1 A 66 66 ILE N N 66 116.900 116.426 0.474 1
1 869 . 1 1 1 A 67 67 ALA H H 67 7.660 8.159 -0.499 1
1 870 . 1 1 1 A 67 67 ALA HA H 67 3.940 3.927 0.013 1
1 874 . 1 1 1 A 67 67 ALA C C 67 180.200 179.300 0.900 1
1 875 . 1 1 1 A 67 67 ALA CA C 67 55.600 55.618 -0.018 1
1 876 . 1 1 1 A 67 67 ALA CB C 67 18.000 18.183 -0.183 1
1 877 . 1 1 1 A 67 67 ALA N N 67 120.700 123.461 -2.761 1
1 878 . 1 1 1 A 68 68 GLU H H 68 7.660 7.954 -0.294 1
1 879 . 1 1 1 A 68 68 GLU HA H 68 4.040 4.070 -0.030 1
1 884 . 1 1 1 A 68 68 GLU C C 68 179.000 178.748 0.252 1
1 885 . 1 1 1 A 68 68 GLU CA C 68 59.300 59.576 -0.276 1
1 886 . 1 1 1 A 68 68 GLU CB C 68 29.500 29.513 -0.013 1
1 888 . 1 1 1 A 68 68 GLU N N 68 118.700 118.575 0.125 1
1 889 . 1 1 1 A 69 69 ILE H H 69 8.240 8.178 0.062 1
1 890 . 1 1 1 A 69 69 ILE HA H 69 3.630 3.842 -0.212 1
1 900 . 1 1 1 A 69 69 ILE C C 69 178.200 178.357 -0.157 1
1 901 . 1 1 1 A 69 69 ILE CA C 69 65.700 66.001 -0.301 1
1 902 . 1 1 1 A 69 69 ILE CB C 69 38.100 38.056 0.044 1
1 906 . 1 1 1 A 69 69 ILE N N 69 120.700 119.213 1.487 1
1 907 . 1 1 1 A 70 70 LEU H H 70 8.770 8.936 -0.166 1
1 908 . 1 1 1 A 70 70 LEU HA H 70 3.960 3.904 0.056 1
1 918 . 1 1 1 A 70 70 LEU C C 70 179.300 179.510 -0.210 1
1 919 . 1 1 1 A 70 70 LEU CA C 70 59.100 58.303 0.797 1
1 920 . 1 1 1 A 70 70 LEU CB C 70 43.000 41.717 1.283 1
1 924 . 1 1 1 A 70 70 LEU N N 70 119.100 120.244 -1.144 1
1 925 . 1 1 1 A 71 71 GLN H H 71 7.660 7.796 -0.136 1
1 926 . 1 1 1 A 71 71 GLN HA H 71 3.960 4.168 -0.208 1
1 933 . 1 1 1 A 71 71 GLN C C 71 177.700 178.741 -1.041 1
1 934 . 1 1 1 A 71 71 GLN CA C 71 59.800 59.262 0.538 1
1 935 . 1 1 1 A 71 71 GLN CB C 71 30.000 28.622 1.378 1
1 937 . 1 1 1 A 71 71 GLN N N 71 114.200 117.848 -3.648 1
1 939 . 1 1 1 A 72 72 ARG H H 72 8.180 8.191 -0.011 1
1 940 . 1 1 1 A 72 72 ARG HA H 72 4.000 4.043 -0.043 1
1 947 . 1 1 1 A 72 72 ARG C C 72 178.900 177.939 0.961 1
1 948 . 1 1 1 A 72 72 ARG CA C 72 58.900 59.059 -0.159 1
1 949 . 1 1 1 A 72 72 ARG CB C 72 31.100 29.738 1.362 1
1 952 . 1 1 1 A 72 72 ARG N N 72 118.300 120.532 -2.232 1
1 953 . 1 1 1 A 73 73 TYR H H 73 7.970 8.210 -0.240 1
1 954 . 1 1 1 A 73 73 TYR HA H 73 4.800 4.403 0.397 1
1 961 . 1 1 1 A 73 73 TYR C C 73 178.000 177.630 0.370 1
1 962 . 1 1 1 A 73 73 TYR CA C 73 60.100 59.490 0.610 1
1 963 . 1 1 1 A 73 73 TYR CB C 73 41.200 39.364 1.836 1
1 968 . 1 1 1 A 73 73 TYR N N 73 111.500 117.610 -6.110 1
1 969 . 1 1 1 A 74 74 TYR H H 74 8.750 8.034 0.716 1
1 970 . 1 1 1 A 74 74 TYR HA H 74 4.080 4.225 -0.145 1
1 977 . 1 1 1 A 74 74 TYR C C 74 176.600 177.587 -0.987 1
1 978 . 1 1 1 A 74 74 TYR CA C 74 62.400 61.303 1.097 1
1 979 . 1 1 1 A 74 74 TYR CB C 74 36.100 38.317 -2.217 1
1 984 . 1 1 1 A 74 74 TYR N N 74 121.500 120.509 0.991 1
1 985 . 1 1 1 A 75 75 LYS H H 75 7.760 7.520 0.240 1
1 986 . 1 1 1 A 75 75 LYS HA H 75 3.710 3.554 0.156 1
1 995 . 1 1 1 A 75 75 LYS C C 75 177.500 178.165 -0.665 1
1 996 . 1 1 1 A 75 75 LYS CA C 75 57.600 58.541 -0.941 1
1 997 . 1 1 1 A 75 75 LYS CB C 75 31.800 31.717 0.083 1
1 1001 . 1 1 1 A 75 75 LYS N N 75 120.300 119.252 1.048 1
1 1002 . 1 1 1 A 76 76 LYS H H 76 7.510 7.693 -0.183 1
1 1003 . 1 1 1 A 76 76 LYS HA H 76 4.230 4.189 0.041 1
1 1012 . 1 1 1 A 76 76 LYS C C 76 177.900 177.766 0.134 1
1 1013 . 1 1 1 A 76 76 LYS CA C 76 58.300 58.110 0.190 1
1 1014 . 1 1 1 A 76 76 LYS CB C 76 33.700 33.079 0.621 1
1 1018 . 1 1 1 A 76 76 LYS N N 76 118.000 119.192 -1.192 1
1 1019 . 1 1 1 A 77 77 ILE H H 77 7.610 8.462 -0.852 1
1 1020 . 1 1 1 A 77 77 ILE HA H 77 4.670 4.450 0.220 1
1 1030 . 1 1 1 A 77 77 ILE C C 77 176.000 176.148 -0.148 1
1 1031 . 1 1 1 A 77 77 ILE CA C 77 60.600 60.985 -0.385 1
1 1032 . 1 1 1 A 77 77 ILE CB C 77 39.700 39.952 -0.252 1
1 1036 . 1 1 1 A 77 77 ILE N N 77 108.200 111.739 -3.539 1
1 1037 . 1 1 1 A 78 78 GLY H H 78 7.390 7.312 0.078 1
1 1038 . 1 1 1 A 78 78 GLY HA2 H 78 4.730 4.151 0.579 1
1 1039 . 1 1 1 A 78 78 GLY HA3 H 78 3.970 4.192 -0.222 1
1 1040 . 1 1 1 A 78 78 GLY C C 78 175.800 174.974 0.826 1
1 1041 . 1 1 1 A 78 78 GLY CA C 78 44.900 44.616 0.284 1
1 1042 . 1 1 1 A 78 78 GLY N N 78 112.200 110.720 1.480 1
1 1043 . 1 1 1 A 79 79 ILE H H 79 9.030 8.831 0.199 1
1 1044 . 1 1 1 A 79 79 ILE HA H 79 4.080 4.013 0.067 1
1 1054 . 1 1 1 A 79 79 ILE C C 79 174.700 177.950 -3.250 1
1 1055 . 1 1 1 A 79 79 ILE CA C 79 62.900 63.350 -0.450 1
1 1056 . 1 1 1 A 79 79 ILE CB C 79 38.600 38.084 0.516 1
1 1060 . 1 1 1 A 79 79 ILE N N 79 125.700 121.871 3.829 1
1 1061 . 1 1 1 A 80 80 GLU H H 80 9.480 8.572 0.908 1
1 1062 . 1 1 1 A 80 80 GLU HA H 80 4.070 4.279 -0.209 1
1 1067 . 1 1 1 A 80 80 GLU C C 80 179.200 179.449 -0.249 1
1 1068 . 1 1 1 A 80 80 GLU CA C 80 59.700 59.918 -0.218 1
1 1069 . 1 1 1 A 80 80 GLU CB C 80 28.100 29.221 -1.121 1
1 1071 . 1 1 1 A 80 80 GLU N N 80 122.400 121.998 0.402 1
1 1072 . 1 1 1 A 81 81 ASN H H 81 7.570 8.101 -0.531 1
1 1073 . 1 1 1 A 81 81 ASN HA H 81 4.580 4.582 -0.002 1
1 1078 . 1 1 1 A 81 81 ASN C C 81 177.600 177.953 -0.353 1
1 1079 . 1 1 1 A 81 81 ASN CA C 81 55.600 56.173 -0.573 1
1 1080 . 1 1 1 A 81 81 ASN CB C 81 37.900 38.632 -0.732 1
1 1081 . 1 1 1 A 81 81 ASN N N 81 117.000 118.348 -1.348 1
1 1083 . 1 1 1 A 82 82 VAL H H 82 8.180 8.080 0.100 1
1 1084 . 1 1 1 A 82 82 VAL HA H 82 3.590 3.521 0.069 1
1 1092 . 1 1 1 A 82 82 VAL C C 82 176.900 177.810 -0.910 1
1 1093 . 1 1 1 A 82 82 VAL CA C 82 66.800 66.512 0.288 1
1 1094 . 1 1 1 A 82 82 VAL CB C 82 31.100 31.836 -0.736 1
1 1097 . 1 1 1 A 82 82 VAL N N 82 120.900 120.526 0.374 1
1 1098 . 1 1 1 A 83 83 ASN H H 83 8.440 8.767 -0.327 1
1 1099 . 1 1 1 A 83 83 ASN HA H 83 4.440 4.487 -0.047 1
1 1104 . 1 1 1 A 83 83 ASN C C 83 177.700 177.885 -0.185 1
1 1105 . 1 1 1 A 83 83 ASN CA C 83 56.000 56.470 -0.470 1
1 1106 . 1 1 1 A 83 83 ASN CB C 83 37.000 37.554 -0.554 1
1 1107 . 1 1 1 A 83 83 ASN N N 83 120.500 118.906 1.594 1
1 1109 . 1 1 1 A 84 84 GLN H H 84 7.550 7.534 0.016 1
1 1110 . 1 1 1 A 84 84 GLN HA H 84 4.050 4.098 -0.048 1
1 1117 . 1 1 1 A 84 84 GLN C C 84 179.000 178.707 0.293 1
1 1118 . 1 1 1 A 84 84 GLN CA C 84 58.900 58.679 0.221 1
1 1119 . 1 1 1 A 84 84 GLN CB C 84 28.300 28.137 0.163 1
1 1121 . 1 1 1 A 84 84 GLN N N 84 116.900 119.157 -2.257 1
1 1123 . 1 1 1 A 85 85 LEU H H 85 7.990 8.164 -0.174 1
1 1124 . 1 1 1 A 85 85 LEU HA H 85 4.080 4.100 -0.020 1
1 1134 . 1 1 1 A 85 85 LEU C C 85 180.400 179.309 1.091 1
1 1135 . 1 1 1 A 85 85 LEU CA C 85 58.200 58.112 0.088 1
1 1136 . 1 1 1 A 85 85 LEU CB C 85 41.700 41.426 0.274 1
1 1140 . 1 1 1 A 85 85 LEU N N 85 121.300 119.337 1.963 1
1 1141 . 1 1 1 A 86 86 ILE H H 86 8.630 8.283 0.347 1
1 1142 . 1 1 1 A 86 86 ILE HA H 86 3.560 3.683 -0.123 1
1 1152 . 1 1 1 A 86 86 ILE C C 86 177.700 178.518 -0.818 1
1 1153 . 1 1 1 A 86 86 ILE CA C 86 66.600 64.983 1.617 1
1 1154 . 1 1 1 A 86 86 ILE CB C 86 37.800 37.099 0.701 1
1 1158 . 1 1 1 A 86 86 ILE N N 86 122.000 120.581 1.419 1
1 1159 . 1 1 1 A 87 87 LEU H H 87 8.200 8.078 0.122 1
1 1160 . 1 1 1 A 87 87 LEU HA H 87 4.010 4.148 -0.138 1
1 1170 . 1 1 1 A 87 87 LEU C C 87 179.000 179.209 -0.209 1
1 1171 . 1 1 1 A 87 87 LEU CA C 87 58.200 58.113 0.087 1
1 1172 . 1 1 1 A 87 87 LEU CB C 87 40.800 41.943 -1.143 1
1 1176 . 1 1 1 A 87 87 LEU N N 87 118.300 119.025 -0.725 1
1 1177 . 1 1 1 A 88 88 THR H H 88 8.420 8.136 0.284 1
1 1178 . 1 1 1 A 88 88 THR HA H 88 4.000 4.029 -0.029 1
1 1183 . 1 1 1 A 88 88 THR C C 88 176.300 177.171 -0.871 1
1 1184 . 1 1 1 A 88 88 THR CA C 88 66.500 66.061 0.439 1
1 1185 . 1 1 1 A 88 88 THR CB C 88 69.400 68.395 1.005 1
1 1187 . 1 1 1 A 88 88 THR N N 88 112.700 115.848 -3.148 1
1 1188 . 1 1 1 A 89 89 THR H H 89 7.690 8.036 -0.346 1
1 1189 . 1 1 1 A 89 89 THR HA H 89 4.040 4.068 -0.028 1
1 1194 . 1 1 1 A 89 89 THR C C 89 175.500 176.339 -0.839 1
1 1195 . 1 1 1 A 89 89 THR CA C 89 67.100 66.565 0.535 1
1 1196 . 1 1 1 A 89 89 THR CB C 89 68.500 68.502 -0.002 1
1 1198 . 1 1 1 A 89 89 THR N N 89 116.600 117.115 -0.515 1
1 1199 . 1 1 1 A 90 90 ILE H H 90 8.330 7.339 0.991 1
1 1200 . 1 1 1 A 90 90 ILE HA H 90 4.420 4.365 0.055 1
1 1210 . 1 1 1 A 90 90 ILE C C 90 175.700 175.676 0.024 1
1 1211 . 1 1 1 A 90 90 ILE CA C 90 62.000 61.502 0.498 1
1 1212 . 1 1 1 A 90 90 ILE CB C 90 38.500 38.213 0.287 1
1 1216 . 1 1 1 A 90 90 ILE N N 90 125.300 110.749 14.551 1
1 1217 . 1 1 1 A 91 91 LYS H H 91 7.450 7.286 0.164 1
1 1218 . 1 1 1 A 91 91 LYS HA H 91 3.970 4.614 -0.644 1
1 1227 . 1 1 1 A 91 91 LYS CA C 91 57.200 55.342 1.858 1
1 1228 . 1 1 1 A 91 91 LYS CB C 91 32.900 33.449 -0.549 1
1 1 . 2 1 1 A 3 3 ILE H H 3 8.310 8.603 -0.293 1
1 2 . 2 1 1 A 3 3 ILE HA H 3 3.740 4.101 -0.361 1
1 12 . 2 1 1 A 3 3 ILE C C 3 175.200 177.475 -2.275 1
1 13 . 2 1 1 A 3 3 ILE CA C 3 64.200 61.457 2.743 1
1 14 . 2 1 1 A 3 3 ILE CB C 3 37.400 38.076 -0.676 1
1 18 . 2 1 1 A 3 3 ILE N N 3 124.900 126.711 -1.811 1
1 19 . 2 1 1 A 4 4 LEU H H 4 7.270 7.523 -0.253 1
1 20 . 2 1 1 A 4 4 LEU HA H 4 3.680 4.325 -0.645 1
1 30 . 2 1 1 A 4 4 LEU C C 4 177.300 177.601 -0.301 1
1 31 . 2 1 1 A 4 4 LEU CA C 4 56.300 55.597 0.703 1
1 32 . 2 1 1 A 4 4 LEU CB C 4 41.100 40.975 0.125 1
1 36 . 2 1 1 A 4 4 LEU N N 4 116.100 120.675 -4.575 1
1 37 . 2 1 1 A 5 5 GLU H H 5 7.350 8.034 -0.684 1
1 38 . 2 1 1 A 5 5 GLU HA H 5 4.290 4.346 -0.056 1
1 43 . 2 1 1 A 5 5 GLU C C 5 176.300 176.115 0.185 1
1 44 . 2 1 1 A 5 5 GLU CA C 5 55.200 58.453 -3.253 1
1 45 . 2 1 1 A 5 5 GLU CB C 5 30.000 30.110 -0.110 1
1 47 . 2 1 1 A 5 5 GLU N N 5 114.200 117.292 -3.092 1
1 48 . 2 1 1 A 6 6 ASP H H 6 7.860 7.531 0.329 1
1 49 . 2 1 1 A 6 6 ASP HA H 6 4.830 4.959 -0.129 1
1 52 . 2 1 1 A 6 6 ASP C C 6 175.500 175.956 -0.456 1
1 53 . 2 1 1 A 6 6 ASP CA C 6 53.000 51.934 1.066 1
1 54 . 2 1 1 A 6 6 ASP CB C 6 40.800 43.770 -2.970 1
1 55 . 2 1 1 A 6 6 ASP N N 6 125.000 122.274 2.726 1
1 56 . 2 1 1 A 7 7 PRO HA H 7 4.240 4.397 -0.157 1
1 63 . 2 1 1 A 7 7 PRO C C 7 179.000 178.323 0.677 1
1 64 . 2 1 1 A 7 7 PRO CA C 7 65.700 64.814 0.886 1
1 65 . 2 1 1 A 7 7 PRO CB C 7 32.300 32.211 0.089 1
1 68 . 2 1 1 A 8 8 GLU H H 8 9.250 8.629 0.621 1
1 69 . 2 1 1 A 8 8 GLU HA H 8 4.120 4.097 0.023 1
1 74 . 2 1 1 A 8 8 GLU C C 8 178.100 178.891 -0.791 1
1 75 . 2 1 1 A 8 8 GLU CA C 8 60.000 59.050 0.950 1
1 76 . 2 1 1 A 8 8 GLU CB C 8 29.200 29.320 -0.120 1
1 78 . 2 1 1 A 8 8 GLU N N 8 117.600 118.430 -0.830 1
1 79 . 2 1 1 A 9 9 PHE H H 9 7.640 8.093 -0.453 1
1 80 . 2 1 1 A 9 9 PHE HA H 9 4.130 3.899 0.231 1
1 87 . 2 1 1 A 9 9 PHE C C 9 178.600 177.588 1.012 1
1 88 . 2 1 1 A 9 9 PHE CA C 9 62.200 61.361 0.839 1
1 89 . 2 1 1 A 9 9 PHE CB C 9 40.400 39.181 1.219 1
1 94 . 2 1 1 A 9 9 PHE N N 9 118.200 122.042 -3.842 1
1 95 . 2 1 1 A 10 10 VAL H H 10 8.220 7.912 0.308 1
1 96 . 2 1 1 A 10 10 VAL HA H 10 3.590 3.727 -0.137 1
1 104 . 2 1 1 A 10 10 VAL C C 10 179.400 177.622 1.778 1
1 105 . 2 1 1 A 10 10 VAL CA C 10 66.800 64.513 2.287 1
1 106 . 2 1 1 A 10 10 VAL CB C 10 31.700 31.157 0.543 1
1 109 . 2 1 1 A 10 10 VAL N N 10 120.300 118.748 1.552 1
1 110 . 2 1 1 A 11 11 LYS H H 11 7.760 7.431 0.329 1
1 111 . 2 1 1 A 11 11 LYS HA H 11 4.050 3.925 0.125 1
1 120 . 2 1 1 A 11 11 LYS C C 11 179.000 179.536 -0.536 1
1 121 . 2 1 1 A 11 11 LYS CA C 11 59.300 59.975 -0.675 1
1 122 . 2 1 1 A 11 11 LYS CB C 11 32.600 32.283 0.317 1
1 126 . 2 1 1 A 11 11 LYS N N 11 119.600 122.727 -3.127 1
1 127 . 2 1 1 A 12 12 LEU H H 12 7.750 8.295 -0.545 1
1 128 . 2 1 1 A 12 12 LEU HA H 12 4.190 3.971 0.219 1
1 138 . 2 1 1 A 12 12 LEU C C 12 178.400 179.136 -0.736 1
1 139 . 2 1 1 A 12 12 LEU CA C 12 57.800 57.960 -0.160 1
1 140 . 2 1 1 A 12 12 LEU CB C 12 41.900 41.142 0.758 1
1 144 . 2 1 1 A 12 12 LEU N N 12 119.900 119.984 -0.084 1
1 145 . 2 1 1 A 13 13 ARG H H 13 7.600 7.645 -0.045 1
1 146 . 2 1 1 A 13 13 ARG HA H 13 3.940 3.810 0.130 1
1 153 . 2 1 1 A 13 13 ARG C C 13 178.600 178.945 -0.345 1
1 154 . 2 1 1 A 13 13 ARG CA C 13 59.000 59.337 -0.337 1
1 155 . 2 1 1 A 13 13 ARG CB C 13 30.200 29.796 0.404 1
1 158 . 2 1 1 A 13 13 ARG N N 13 115.300 120.214 -4.914 1
1 159 . 2 1 1 A 14 14 GLN H H 14 7.770 7.742 0.028 1
1 160 . 2 1 1 A 14 14 GLN HA H 14 4.130 4.130 0.000 1
1 167 . 2 1 1 A 14 14 GLN C C 14 176.500 178.461 -1.961 1
1 168 . 2 1 1 A 14 14 GLN CA C 14 57.100 58.523 -1.423 1
1 169 . 2 1 1 A 14 14 GLN CB C 14 28.200 28.863 -0.663 1
1 171 . 2 1 1 A 14 14 GLN N N 14 116.400 118.328 -1.928 1
1 173 . 2 1 1 A 15 15 PHE H H 15 8.030 8.272 -0.242 1
1 174 . 2 1 1 A 15 15 PHE HA H 15 4.220 4.080 0.140 1
1 181 . 2 1 1 A 15 15 PHE C C 15 175.200 175.620 -0.420 1
1 182 . 2 1 1 A 15 15 PHE CA C 15 59.100 61.043 -1.943 1
1 183 . 2 1 1 A 15 15 PHE CB C 15 38.800 39.670 -0.870 1
1 188 . 2 1 1 A 15 15 PHE N N 15 116.800 122.991 -6.191 1
1 189 . 2 1 1 A 16 16 LYS H H 16 7.470 8.566 -1.096 1
1 190 . 2 1 1 A 16 16 LYS HA H 16 4.190 4.237 -0.047 1
1 191 . 2 1 1 A 16 16 LYS CA C 16 58.400 58.188 0.212 1
1 192 . 2 1 1 A 16 16 LYS CB C 16 33.300 32.464 0.836 1
1 193 . 2 1 1 A 16 16 LYS N N 16 122.500 119.283 3.217 1
1 194 . 2 1 1 A 17 17 GLY HA2 H 17 3.920 4.029 -0.109 1
1 195 . 2 1 1 A 17 17 GLY HA3 H 17 4.210 4.065 0.145 1
1 196 . 2 1 1 A 17 17 GLY C C 17 174.300 173.299 1.001 1
1 197 . 2 1 1 A 17 17 GLY CA C 17 46.200 45.577 0.623 1
1 198 . 2 1 1 A 18 18 LYS H H 18 8.230 8.669 -0.439 1
1 199 . 2 1 1 A 18 18 LYS HA H 18 4.550 4.499 0.051 1
1 208 . 2 1 1 A 18 18 LYS C C 18 175.800 176.077 -0.277 1
1 209 . 2 1 1 A 18 18 LYS CA C 18 56.100 55.272 0.828 1
1 210 . 2 1 1 A 18 18 LYS CB C 18 33.700 32.864 0.836 1
1 214 . 2 1 1 A 18 18 LYS N N 18 118.100 123.682 -5.582 1
1 215 . 2 1 1 A 19 19 VAL H H 19 7.150 7.073 0.077 1
1 216 . 2 1 1 A 19 19 VAL HA H 19 4.400 5.092 -0.692 1
1 224 . 2 1 1 A 19 19 VAL CA C 19 58.800 59.308 -0.508 1
1 225 . 2 1 1 A 19 19 VAL CB C 19 34.300 34.330 -0.030 1
1 228 . 2 1 1 A 19 19 VAL N N 19 111.100 115.763 -4.663 1
1 229 . 2 1 1 A 20 20 ASN HA H 20 4.660 4.840 -0.180 1
1 234 . 2 1 1 A 20 20 ASN C C 20 174.600 176.569 -1.969 1
1 235 . 2 1 1 A 20 20 ASN CA C 20 52.700 54.186 -1.486 1
1 236 . 2 1 1 A 20 20 ASN CB C 20 37.900 38.746 -0.846 1
1 238 . 2 1 1 A 21 21 PHE H H 21 8.580 9.008 -0.428 1
1 239 . 2 1 1 A 21 21 PHE HA H 21 3.730 3.900 -0.170 1
1 247 . 2 1 1 A 21 21 PHE C C 21 175.300 177.009 -1.709 1
1 248 . 2 1 1 A 21 21 PHE CA C 21 62.500 62.530 -0.030 1
1 249 . 2 1 1 A 21 21 PHE CB C 21 40.400 39.904 0.496 1
1 255 . 2 1 1 A 21 21 PHE N N 21 128.200 125.437 2.763 1
1 256 . 2 1 1 A 22 22 ASN H H 22 8.220 8.337 -0.117 1
1 257 . 2 1 1 A 22 22 ASN HA H 22 4.300 4.218 0.082 1
1 262 . 2 1 1 A 22 22 ASN C C 22 177.800 177.978 -0.178 1
1 263 . 2 1 1 A 22 22 ASN CA C 22 56.400 56.324 0.076 1
1 264 . 2 1 1 A 22 22 ASN CB C 22 37.900 38.468 -0.568 1
1 265 . 2 1 1 A 22 22 ASN N N 22 114.600 117.284 -2.684 1
1 267 . 2 1 1 A 23 23 LEU H H 23 7.440 7.416 0.024 1
1 268 . 2 1 1 A 23 23 LEU HA H 23 4.190 4.014 0.176 1
1 278 . 2 1 1 A 23 23 LEU C C 23 177.800 178.515 -0.715 1
1 279 . 2 1 1 A 23 23 LEU CA C 23 56.900 57.752 -0.852 1
1 280 . 2 1 1 A 23 23 LEU CB C 23 41.400 41.711 -0.311 1
1 284 . 2 1 1 A 23 23 LEU N N 23 122.500 119.825 2.675 1
1 285 . 2 1 1 A 24 24 VAL H H 24 7.930 8.285 -0.355 1
1 286 . 2 1 1 A 24 24 VAL HA H 24 3.560 3.522 0.038 1
1 294 . 2 1 1 A 24 24 VAL C C 24 177.500 177.792 -0.292 1
1 295 . 2 1 1 A 24 24 VAL CA C 24 67.200 67.039 0.161 1
1 296 . 2 1 1 A 24 24 VAL CB C 24 31.000 31.358 -0.358 1
1 299 . 2 1 1 A 24 24 VAL N N 24 119.400 119.089 0.311 1
1 300 . 2 1 1 A 25 25 MET H H 25 8.020 8.229 -0.209 1
1 301 . 2 1 1 A 25 25 MET HA H 25 3.640 3.938 -0.298 1
1 309 . 2 1 1 A 25 25 MET C C 25 176.800 178.130 -1.330 1
1 310 . 2 1 1 A 25 25 MET CA C 25 60.000 58.263 1.737 1
1 311 . 2 1 1 A 25 25 MET CB C 25 32.900 31.419 1.481 1
1 314 . 2 1 1 A 25 25 MET N N 25 116.600 118.599 -1.999 1
1 315 . 2 1 1 A 26 26 GLN H H 26 7.530 7.815 -0.285 1
1 316 . 2 1 1 A 26 26 GLN HA H 26 4.050 4.089 -0.039 1
1 323 . 2 1 1 A 26 26 GLN C C 26 177.800 178.489 -0.689 1
1 324 . 2 1 1 A 26 26 GLN CA C 26 59.100 58.822 0.278 1
1 325 . 2 1 1 A 26 26 GLN CB C 26 28.100 28.398 -0.298 1
1 327 . 2 1 1 A 26 26 GLN N N 26 118.200 118.490 -0.290 1
1 329 . 2 1 1 A 27 27 ILE H H 27 8.230 8.478 -0.248 1
1 330 . 2 1 1 A 27 27 ILE HA H 27 3.350 3.482 -0.132 1
1 340 . 2 1 1 A 27 27 ILE C C 27 177.700 178.356 -0.656 1
1 341 . 2 1 1 A 27 27 ILE CA C 27 65.900 65.925 -0.025 1
1 342 . 2 1 1 A 27 27 ILE CB C 27 37.900 38.108 -0.208 1
1 346 . 2 1 1 A 27 27 ILE N N 27 120.700 120.781 -0.081 1
1 347 . 2 1 1 A 28 28 LEU H H 28 8.550 8.461 0.089 1
1 348 . 2 1 1 A 28 28 LEU HA H 28 4.020 3.964 0.056 1
1 358 . 2 1 1 A 28 28 LEU C C 28 179.900 179.400 0.500 1
1 359 . 2 1 1 A 28 28 LEU CA C 28 58.400 58.219 0.181 1
1 360 . 2 1 1 A 28 28 LEU CB C 28 39.700 40.518 -0.818 1
1 364 . 2 1 1 A 28 28 LEU N N 28 118.900 118.551 0.349 1
1 365 . 2 1 1 A 29 29 ASP H H 29 8.470 8.223 0.247 1
1 366 . 2 1 1 A 29 29 ASP HA H 29 4.440 4.288 0.152 1
1 369 . 2 1 1 A 29 29 ASP C C 29 179.600 178.618 0.982 1
1 370 . 2 1 1 A 29 29 ASP CA C 29 57.400 57.731 -0.331 1
1 371 . 2 1 1 A 29 29 ASP CB C 29 40.400 41.402 -1.002 1
1 372 . 2 1 1 A 29 29 ASP N N 29 120.700 119.609 1.091 1
1 373 . 2 1 1 A 30 30 GLU H H 30 8.630 8.596 0.034 1
1 374 . 2 1 1 A 30 30 GLU HA H 30 3.980 4.196 -0.216 1
1 379 . 2 1 1 A 30 30 GLU C C 30 180.600 178.970 1.630 1
1 380 . 2 1 1 A 30 30 GLU CA C 30 60.000 58.828 1.172 1
1 381 . 2 1 1 A 30 30 GLU CB C 30 29.900 29.668 0.232 1
1 383 . 2 1 1 A 30 30 GLU N N 30 120.800 119.255 1.545 1
1 384 . 2 1 1 A 31 31 ILE H H 31 8.520 8.094 0.426 1
1 385 . 2 1 1 A 31 31 ILE HA H 31 3.540 3.874 -0.334 1
1 395 . 2 1 1 A 31 31 ILE C C 31 176.400 177.945 -1.545 1
1 396 . 2 1 1 A 31 31 ILE CA C 31 66.600 63.856 2.744 1
1 397 . 2 1 1 A 31 31 ILE CB C 31 37.800 37.471 0.329 1
1 401 . 2 1 1 A 31 31 ILE N N 31 123.100 119.449 3.651 1
1 402 . 2 1 1 A 32 32 GLU H H 32 8.070 8.244 -0.174 1
1 403 . 2 1 1 A 32 32 GLU HA H 32 3.730 3.958 -0.228 1
1 408 . 2 1 1 A 32 32 GLU C C 32 178.400 179.013 -0.613 1
1 409 . 2 1 1 A 32 32 GLU CA C 32 60.800 59.404 1.396 1
1 410 . 2 1 1 A 32 32 GLU CB C 32 28.800 29.513 -0.713 1
1 412 . 2 1 1 A 32 32 GLU N N 32 120.300 121.226 -0.926 1
1 413 . 2 1 1 A 33 33 LEU H H 33 8.160 7.970 0.190 1
1 414 . 2 1 1 A 33 33 LEU HA H 33 3.980 3.951 0.029 1
1 424 . 2 1 1 A 33 33 LEU C C 33 180.100 178.272 1.828 1
1 425 . 2 1 1 A 33 33 LEU CA C 33 58.000 58.011 -0.011 1
1 426 . 2 1 1 A 33 33 LEU CB C 33 42.100 41.119 0.981 1
1 430 . 2 1 1 A 33 33 LEU N N 33 117.900 120.370 -2.470 1
1 431 . 2 1 1 A 34 34 ASP H H 34 8.200 8.001 0.199 1
1 432 . 2 1 1 A 34 34 ASP HA H 34 4.290 4.382 -0.092 1
1 435 . 2 1 1 A 34 34 ASP C C 34 178.600 178.245 0.355 1
1 436 . 2 1 1 A 34 34 ASP CA C 34 58.200 57.596 0.604 1
1 437 . 2 1 1 A 34 34 ASP CB C 34 42.800 41.121 1.679 1
1 438 . 2 1 1 A 34 34 ASP N N 34 120.500 119.902 0.598 1
1 439 . 2 1 1 A 35 35 LEU H H 35 8.630 8.276 0.354 1
1 440 . 2 1 1 A 35 35 LEU HA H 35 4.360 4.004 0.356 1
1 450 . 2 1 1 A 35 35 LEU C C 35 179.000 178.027 0.973 1
1 451 . 2 1 1 A 35 35 LEU CA C 35 56.400 57.668 -1.268 1
1 452 . 2 1 1 A 35 35 LEU CB C 35 42.800 41.661 1.139 1
1 456 . 2 1 1 A 35 35 LEU N N 35 121.300 120.329 0.971 1
1 457 . 2 1 1 A 36 36 ARG H H 36 7.410 8.142 -0.732 1
1 458 . 2 1 1 A 36 36 ARG HA H 36 4.050 4.057 -0.007 1
1 465 . 2 1 1 A 36 36 ARG C C 36 177.800 176.759 1.041 1
1 466 . 2 1 1 A 36 36 ARG CA C 36 59.000 57.787 1.213 1
1 467 . 2 1 1 A 36 36 ARG CB C 36 30.000 29.857 0.143 1
1 470 . 2 1 1 A 36 36 ARG N N 36 117.000 119.761 -2.761 1
1 471 . 2 1 1 A 37 37 GLY H H 37 7.580 8.600 -1.020 1
1 472 . 2 1 1 A 37 37 GLY HA2 H 37 3.830 4.036 -0.206 1
1 473 . 2 1 1 A 37 37 GLY HA3 H 37 4.280 4.039 0.241 1
1 474 . 2 1 1 A 37 37 GLY C C 37 174.800 173.463 1.337 1
1 475 . 2 1 1 A 37 37 GLY CA C 37 45.200 45.372 -0.172 1
1 476 . 2 1 1 A 37 37 GLY N N 37 103.600 114.266 -10.666 1
1 477 . 2 1 1 A 38 38 SER H H 38 8.380 7.916 0.464 1
1 478 . 2 1 1 A 38 38 SER HA H 38 4.330 4.872 -0.542 1
1 481 . 2 1 1 A 38 38 SER C C 38 175.100 173.738 1.362 1
1 482 . 2 1 1 A 38 38 SER CA C 38 58.700 56.888 1.812 1
1 483 . 2 1 1 A 38 38 SER CB C 38 63.800 65.635 -1.835 1
1 484 . 2 1 1 A 38 38 SER N N 38 117.800 111.732 6.068 1
1 485 . 2 1 1 A 39 39 ASP H H 39 8.520 8.546 -0.026 1
1 486 . 2 1 1 A 39 39 ASP HA H 39 4.470 5.077 -0.607 1
1 489 . 2 1 1 A 39 39 ASP C C 39 175.300 175.892 -0.592 1
1 490 . 2 1 1 A 39 39 ASP CA C 39 55.400 53.136 2.264 1
1 491 . 2 1 1 A 39 39 ASP CB C 39 41.500 41.455 0.045 1
1 492 . 2 1 1 A 39 39 ASP N N 39 120.500 120.085 0.415 1
1 493 . 2 1 1 A 40 40 ASN H H 40 8.230 7.784 0.446 1
1 494 . 2 1 1 A 40 40 ASN HA H 40 4.800 5.034 -0.234 1
1 499 . 2 1 1 A 40 40 ASN C C 40 174.600 175.320 -0.720 1
1 500 . 2 1 1 A 40 40 ASN CA C 40 52.900 52.249 0.651 1
1 501 . 2 1 1 A 40 40 ASN CB C 40 39.500 36.534 2.966 1
1 502 . 2 1 1 A 40 40 ASN N N 40 116.100 118.469 -2.369 1
1 504 . 2 1 1 A 41 41 ILE H H 41 8.340 7.586 0.754 1
1 505 . 2 1 1 A 41 41 ILE HA H 41 3.840 3.826 0.014 1
1 515 . 2 1 1 A 41 41 ILE C C 41 175.000 177.351 -2.351 1
1 516 . 2 1 1 A 41 41 ILE CA C 41 62.500 62.796 -0.296 1
1 517 . 2 1 1 A 41 41 ILE CB C 41 37.600 37.764 -0.164 1
1 521 . 2 1 1 A 41 41 ILE N N 41 124.800 120.422 4.378 1
1 522 . 2 1 1 A 42 42 LYS H H 42 7.790 8.513 -0.723 1
1 523 . 2 1 1 A 42 42 LYS HA H 42 3.780 3.997 -0.217 1
1 532 . 2 1 1 A 42 42 LYS C C 42 178.300 178.482 -0.182 1
1 533 . 2 1 1 A 42 42 LYS CA C 42 60.200 58.665 1.535 1
1 534 . 2 1 1 A 42 42 LYS CB C 42 31.800 31.761 0.039 1
1 538 . 2 1 1 A 42 42 LYS N N 42 122.100 119.892 2.208 1
1 539 . 2 1 1 A 43 43 THR H H 43 7.500 7.514 -0.014 1
1 540 . 2 1 1 A 43 43 THR HA H 43 3.790 3.799 -0.009 1
1 545 . 2 1 1 A 43 43 THR C C 43 177.100 175.844 1.256 1
1 546 . 2 1 1 A 43 43 THR CA C 43 65.900 65.890 0.010 1
1 547 . 2 1 1 A 43 43 THR CB C 43 68.400 68.534 -0.134 1
1 549 . 2 1 1 A 43 43 THR N N 43 112.900 116.978 -4.078 1
1 550 . 2 1 1 A 44 44 SER H H 44 7.860 7.836 0.024 1
1 551 . 2 1 1 A 44 44 SER HA H 44 4.570 4.253 0.317 1
1 554 . 2 1 1 A 44 44 SER C C 44 175.100 176.034 -0.934 1
1 555 . 2 1 1 A 44 44 SER CA C 44 63.600 62.241 1.359 1
1 556 . 2 1 1 A 44 44 SER CB C 44 63.900 63.015 0.885 1
1 557 . 2 1 1 A 44 44 SER N N 44 119.700 117.621 2.079 1
1 558 . 2 1 1 A 45 45 ILE H H 45 8.240 7.833 0.407 1
1 559 . 2 1 1 A 45 45 ILE HA H 45 3.140 3.486 -0.346 1
1 569 . 2 1 1 A 45 45 ILE C C 45 176.500 177.837 -1.337 1
1 570 . 2 1 1 A 45 45 ILE CA C 45 66.200 64.862 1.338 1
1 571 . 2 1 1 A 45 45 ILE CB C 45 37.800 37.582 0.218 1
1 575 . 2 1 1 A 45 45 ILE N N 45 121.300 120.688 0.612 1
1 576 . 2 1 1 A 46 46 ILE H H 46 7.680 7.446 0.234 1
1 577 . 2 1 1 A 46 46 ILE HA H 46 3.480 3.463 0.017 1
1 587 . 2 1 1 A 46 46 ILE C C 46 178.900 177.666 1.234 1
1 588 . 2 1 1 A 46 46 ILE CA C 46 65.300 65.089 0.211 1
1 589 . 2 1 1 A 46 46 ILE CB C 46 37.800 37.785 0.015 1
1 593 . 2 1 1 A 46 46 ILE N N 46 117.100 119.594 -2.494 1
1 594 . 2 1 1 A 47 47 TYR H H 47 8.400 7.339 1.061 1
1 595 . 2 1 1 A 47 47 TYR HA H 47 4.190 4.395 -0.205 1
1 602 . 2 1 1 A 47 47 TYR C C 47 178.700 178.413 0.287 1
1 603 . 2 1 1 A 47 47 TYR CA C 47 61.300 60.962 0.338 1
1 604 . 2 1 1 A 47 47 TYR CB C 47 38.400 38.285 0.115 1
1 609 . 2 1 1 A 47 47 TYR N N 47 120.900 119.993 0.907 1
1 610 . 2 1 1 A 48 48 VAL H H 48 8.480 8.324 0.156 1
1 611 . 2 1 1 A 48 48 VAL HA H 48 3.560 4.060 -0.500 1
1 619 . 2 1 1 A 48 48 VAL C C 48 179.600 177.812 1.788 1
1 620 . 2 1 1 A 48 48 VAL CA C 48 67.000 66.669 0.331 1
1 621 . 2 1 1 A 48 48 VAL CB C 48 31.700 31.804 -0.104 1
1 624 . 2 1 1 A 48 48 VAL N N 48 121.600 119.878 1.722 1
1 625 . 2 1 1 A 49 49 TYR H H 49 9.630 8.413 1.217 1
1 626 . 2 1 1 A 49 49 TYR HA H 49 4.080 4.225 -0.145 1
1 633 . 2 1 1 A 49 49 TYR C C 49 179.300 178.578 0.722 1
1 634 . 2 1 1 A 49 49 TYR CA C 49 59.900 60.465 -0.565 1
1 635 . 2 1 1 A 49 49 TYR CB C 49 35.300 37.690 -2.390 1
1 640 . 2 1 1 A 49 49 TYR N N 49 122.000 119.434 2.566 1
1 641 . 2 1 1 A 50 50 SER H H 50 8.120 8.295 -0.175 1
1 642 . 2 1 1 A 50 50 SER HA H 50 4.130 4.370 -0.240 1
1 645 . 2 1 1 A 50 50 SER C C 50 175.700 175.126 0.574 1
1 646 . 2 1 1 A 50 50 SER CA C 50 62.000 61.688 0.312 1
1 647 . 2 1 1 A 50 50 SER CB C 50 62.900 63.374 -0.474 1
1 648 . 2 1 1 A 50 50 SER N N 50 112.600 116.128 -3.528 1
1 649 . 2 1 1 A 51 51 SER H H 51 7.510 7.891 -0.381 1
1 650 . 2 1 1 A 51 51 SER HA H 51 4.350 4.340 0.010 1
1 653 . 2 1 1 A 51 51 SER C C 51 173.600 174.702 -1.102 1
1 654 . 2 1 1 A 51 51 SER CA C 51 59.500 59.402 0.098 1
1 655 . 2 1 1 A 51 51 SER CB C 51 63.300 63.482 -0.182 1
1 656 . 2 1 1 A 51 51 SER N N 51 116.800 115.245 1.555 1
1 657 . 2 1 1 A 52 52 HIS H H 52 7.590 7.581 0.009 1
1 658 . 2 1 1 A 52 52 HIS HA H 52 4.890 4.966 -0.076 1
1 663 . 2 1 1 A 52 52 HIS C C 52 175.200 175.593 -0.393 1
1 664 . 2 1 1 A 52 52 HIS CA C 52 54.100 55.062 -0.962 1
1 665 . 2 1 1 A 52 52 HIS CB C 52 29.500 29.685 -0.185 1
1 668 . 2 1 1 A 52 52 HIS N N 52 120.500 117.663 2.837 1
1 669 . 2 1 1 A 53 53 LEU H H 53 7.440 7.818 -0.378 1
1 670 . 2 1 1 A 53 53 LEU HA H 53 3.870 3.731 0.139 1
1 680 . 2 1 1 A 53 53 LEU C C 53 177.900 178.445 -0.545 1
1 681 . 2 1 1 A 53 53 LEU CA C 53 59.100 57.991 1.109 1
1 682 . 2 1 1 A 53 53 LEU CB C 53 42.300 41.269 1.031 1
1 686 . 2 1 1 A 53 53 LEU N N 53 121.400 121.126 0.274 1
1 687 . 2 1 1 A 54 54 ASP H H 54 8.400 8.112 0.288 1
1 688 . 2 1 1 A 54 54 ASP HA H 54 4.290 4.251 0.039 1
1 691 . 2 1 1 A 54 54 ASP C C 54 177.900 179.023 -1.123 1
1 692 . 2 1 1 A 54 54 ASP CA C 54 57.600 57.626 -0.026 1
1 693 . 2 1 1 A 54 54 ASP CB C 54 40.200 42.227 -2.027 1
1 694 . 2 1 1 A 54 54 ASP N N 54 115.900 119.703 -3.803 1
1 695 . 2 1 1 A 55 55 GLU H H 55 7.500 7.625 -0.125 1
1 696 . 2 1 1 A 55 55 GLU HA H 55 4.310 4.193 0.117 1
1 701 . 2 1 1 A 55 55 GLU C C 55 178.300 179.173 -0.873 1
1 702 . 2 1 1 A 55 55 GLU CA C 55 57.800 58.735 -0.935 1
1 703 . 2 1 1 A 55 55 GLU CB C 55 29.100 29.326 -0.226 1
1 705 . 2 1 1 A 55 55 GLU N N 55 120.100 118.903 1.197 1
1 706 . 2 1 1 A 56 56 ILE H H 56 7.720 7.557 0.163 1
1 707 . 2 1 1 A 56 56 ILE HA H 56 3.440 2.913 0.527 1
1 717 . 2 1 1 A 56 56 ILE C C 56 178.600 178.379 0.221 1
1 718 . 2 1 1 A 56 56 ILE CA C 56 62.500 65.075 -2.575 1
1 719 . 2 1 1 A 56 56 ILE CB C 56 36.200 37.569 -1.369 1
1 723 . 2 1 1 A 56 56 ILE N N 56 119.600 120.396 -0.796 1
1 724 . 2 1 1 A 57 57 ARG H H 57 8.200 8.454 -0.254 1
1 725 . 2 1 1 A 57 57 ARG HA H 57 3.930 4.153 -0.223 1
1 732 . 2 1 1 A 57 57 ARG C C 57 178.800 178.808 -0.008 1
1 733 . 2 1 1 A 57 57 ARG CA C 57 59.000 58.193 0.807 1
1 734 . 2 1 1 A 57 57 ARG CB C 57 30.100 29.601 0.499 1
1 737 . 2 1 1 A 57 57 ARG N N 57 115.500 120.567 -5.067 1
1 738 . 2 1 1 A 58 58 LYS H H 58 7.400 7.455 -0.055 1
1 739 . 2 1 1 A 58 58 LYS HA H 58 4.210 4.087 0.123 1
1 748 . 2 1 1 A 58 58 LYS C C 58 176.800 176.946 -0.146 1
1 749 . 2 1 1 A 58 58 LYS CA C 58 58.100 59.139 -1.039 1
1 750 . 2 1 1 A 58 58 LYS CB C 58 33.100 32.488 0.612 1
1 754 . 2 1 1 A 58 58 LYS N N 58 117.400 120.164 -2.764 1
1 755 . 2 1 1 A 59 59 ASN H H 59 7.630 7.720 -0.090 1
1 756 . 2 1 1 A 59 59 ASN HA H 59 5.310 5.254 0.056 1
1 761 . 2 1 1 A 59 59 ASN C C 59 174.900 174.991 -0.091 1
1 762 . 2 1 1 A 59 59 ASN CA C 59 52.100 52.352 -0.252 1
1 763 . 2 1 1 A 59 59 ASN CB C 59 40.200 39.123 1.077 1
1 764 . 2 1 1 A 59 59 ASN N N 59 119.200 115.562 3.638 1
1 766 . 2 1 1 A 60 60 LYS H H 60 7.460 8.387 -0.927 1
1 767 . 2 1 1 A 60 60 LYS HA H 60 4.070 4.474 -0.404 1
1 776 . 2 1 1 A 60 60 LYS C C 60 177.900 178.460 -0.560 1
1 777 . 2 1 1 A 60 60 LYS CA C 60 61.100 59.317 1.783 1
1 778 . 2 1 1 A 60 60 LYS CB C 60 33.300 32.014 1.286 1
1 782 . 2 1 1 A 60 60 LYS N N 60 122.700 119.022 3.678 1
1 783 . 2 1 1 A 61 61 GLU H H 61 8.660 8.101 0.559 1
1 784 . 2 1 1 A 61 61 GLU HA H 61 4.080 4.005 0.075 1
1 789 . 2 1 1 A 61 61 GLU C C 61 178.900 178.927 -0.027 1
1 790 . 2 1 1 A 61 61 GLU CA C 61 60.100 59.256 0.844 1
1 791 . 2 1 1 A 61 61 GLU CB C 61 29.100 29.393 -0.293 1
1 793 . 2 1 1 A 61 61 GLU N N 61 117.300 119.650 -2.350 1
1 794 . 2 1 1 A 62 62 PHE H H 62 7.670 7.777 -0.107 1
1 795 . 2 1 1 A 62 62 PHE HA H 62 3.420 3.822 -0.402 1
1 803 . 2 1 1 A 62 62 PHE C C 62 176.200 176.879 -0.679 1
1 804 . 2 1 1 A 62 62 PHE CA C 62 60.900 60.871 0.029 1
1 805 . 2 1 1 A 62 62 PHE CB C 62 38.300 38.562 -0.262 1
1 811 . 2 1 1 A 62 62 PHE N N 62 119.300 120.553 -1.253 1
1 812 . 2 1 1 A 63 63 TYR H H 63 7.850 8.235 -0.385 1
1 813 . 2 1 1 A 63 63 TYR HA H 63 3.870 4.273 -0.403 1
1 820 . 2 1 1 A 63 63 TYR C C 63 180.200 177.805 2.395 1
1 821 . 2 1 1 A 63 63 TYR CA C 63 63.500 61.819 1.681 1
1 822 . 2 1 1 A 63 63 TYR CB C 63 37.100 37.371 -0.271 1
1 827 . 2 1 1 A 63 63 TYR N N 63 116.500 117.528 -1.028 1
1 828 . 2 1 1 A 64 64 ASP H H 64 9.110 8.678 0.432 1
1 829 . 2 1 1 A 64 64 ASP HA H 64 4.650 4.475 0.175 1
1 832 . 2 1 1 A 64 64 ASP C C 64 178.700 178.529 0.171 1
1 833 . 2 1 1 A 64 64 ASP CA C 64 57.600 57.463 0.137 1
1 834 . 2 1 1 A 64 64 ASP CB C 64 39.800 40.861 -1.061 1
1 835 . 2 1 1 A 64 64 ASP N N 64 126.100 121.269 4.831 1
1 836 . 2 1 1 A 65 65 MET H H 65 7.600 8.177 -0.577 1
1 837 . 2 1 1 A 65 65 MET HA H 65 4.140 4.183 -0.043 1
1 845 . 2 1 1 A 65 65 MET C C 65 178.800 178.074 0.726 1
1 846 . 2 1 1 A 65 65 MET CA C 65 59.300 58.236 1.064 1
1 847 . 2 1 1 A 65 65 MET CB C 65 32.800 32.923 -0.123 1
1 850 . 2 1 1 A 65 65 MET N N 65 121.100 117.709 3.391 1
1 851 . 2 1 1 A 66 66 ILE H H 66 7.910 8.103 -0.193 1
1 852 . 2 1 1 A 66 66 ILE HA H 66 3.430 3.729 -0.299 1
1 862 . 2 1 1 A 66 66 ILE C C 66 177.000 177.784 -0.784 1
1 863 . 2 1 1 A 66 66 ILE CA C 66 64.500 64.143 0.357 1
1 864 . 2 1 1 A 66 66 ILE CB C 66 36.700 37.326 -0.626 1
1 868 . 2 1 1 A 66 66 ILE N N 66 116.900 116.245 0.655 1
1 869 . 2 1 1 A 67 67 ALA H H 67 7.660 8.354 -0.694 1
1 870 . 2 1 1 A 67 67 ALA HA H 67 3.940 3.928 0.012 1
1 874 . 2 1 1 A 67 67 ALA C C 67 180.200 179.656 0.544 1
1 875 . 2 1 1 A 67 67 ALA CA C 67 55.600 55.590 0.010 1
1 876 . 2 1 1 A 67 67 ALA CB C 67 18.000 18.083 -0.083 1
1 877 . 2 1 1 A 67 67 ALA N N 67 120.700 122.846 -2.146 1
1 878 . 2 1 1 A 68 68 GLU H H 68 7.660 7.607 0.053 1
1 879 . 2 1 1 A 68 68 GLU HA H 68 4.040 4.069 -0.029 1
1 884 . 2 1 1 A 68 68 GLU C C 68 179.000 178.952 0.048 1
1 885 . 2 1 1 A 68 68 GLU CA C 68 59.300 59.218 0.082 1
1 886 . 2 1 1 A 68 68 GLU CB C 68 29.500 29.376 0.124 1
1 888 . 2 1 1 A 68 68 GLU N N 68 118.700 118.591 0.109 1
1 889 . 2 1 1 A 69 69 ILE H H 69 8.240 8.234 0.006 1
1 890 . 2 1 1 A 69 69 ILE HA H 69 3.630 3.798 -0.168 1
1 900 . 2 1 1 A 69 69 ILE C C 69 178.200 178.426 -0.226 1
1 901 . 2 1 1 A 69 69 ILE CA C 69 65.700 65.690 0.010 1
1 902 . 2 1 1 A 69 69 ILE CB C 69 38.100 37.782 0.318 1
1 906 . 2 1 1 A 69 69 ILE N N 69 120.700 119.266 1.434 1
1 907 . 2 1 1 A 70 70 LEU H H 70 8.770 8.863 -0.093 1
1 908 . 2 1 1 A 70 70 LEU HA H 70 3.960 3.922 0.038 1
1 918 . 2 1 1 A 70 70 LEU C C 70 179.300 179.503 -0.203 1
1 919 . 2 1 1 A 70 70 LEU CA C 70 59.100 58.359 0.741 1
1 920 . 2 1 1 A 70 70 LEU CB C 70 43.000 41.673 1.327 1
1 924 . 2 1 1 A 70 70 LEU N N 70 119.100 120.322 -1.222 1
1 925 . 2 1 1 A 71 71 GLN H H 71 7.660 7.805 -0.145 1
1 926 . 2 1 1 A 71 71 GLN HA H 71 3.960 4.146 -0.186 1
1 933 . 2 1 1 A 71 71 GLN C C 71 177.700 178.375 -0.675 1
1 934 . 2 1 1 A 71 71 GLN CA C 71 59.800 59.265 0.535 1
1 935 . 2 1 1 A 71 71 GLN CB C 71 30.000 28.546 1.454 1
1 937 . 2 1 1 A 71 71 GLN N N 71 114.200 117.800 -3.600 1
1 939 . 2 1 1 A 72 72 ARG H H 72 8.180 8.057 0.123 1
1 940 . 2 1 1 A 72 72 ARG HA H 72 4.000 4.043 -0.043 1
1 947 . 2 1 1 A 72 72 ARG C C 72 178.900 177.966 0.934 1
1 948 . 2 1 1 A 72 72 ARG CA C 72 58.900 59.046 -0.146 1
1 949 . 2 1 1 A 72 72 ARG CB C 72 31.100 30.149 0.951 1
1 952 . 2 1 1 A 72 72 ARG N N 72 118.300 120.430 -2.130 1
1 953 . 2 1 1 A 73 73 TYR H H 73 7.970 8.581 -0.611 1
1 954 . 2 1 1 A 73 73 TYR HA H 73 4.800 4.321 0.479 1
1 961 . 2 1 1 A 73 73 TYR C C 73 178.000 178.002 -0.002 1
1 962 . 2 1 1 A 73 73 TYR CA C 73 60.100 60.081 0.019 1
1 963 . 2 1 1 A 73 73 TYR CB C 73 41.200 38.270 2.930 1
1 968 . 2 1 1 A 73 73 TYR N N 73 111.500 118.258 -6.758 1
1 969 . 2 1 1 A 74 74 TYR H H 74 8.750 8.045 0.705 1
1 970 . 2 1 1 A 74 74 TYR HA H 74 4.080 4.239 -0.159 1
1 977 . 2 1 1 A 74 74 TYR C C 74 176.600 177.322 -0.722 1
1 978 . 2 1 1 A 74 74 TYR CA C 74 62.400 61.239 1.161 1
1 979 . 2 1 1 A 74 74 TYR CB C 74 36.100 38.304 -2.204 1
1 984 . 2 1 1 A 74 74 TYR N N 74 121.500 120.425 1.075 1
1 985 . 2 1 1 A 75 75 LYS H H 75 7.760 7.365 0.395 1
1 986 . 2 1 1 A 75 75 LYS HA H 75 3.710 3.735 -0.025 1
1 995 . 2 1 1 A 75 75 LYS C C 75 177.500 178.448 -0.948 1
1 996 . 2 1 1 A 75 75 LYS CA C 75 57.600 57.556 0.044 1
1 997 . 2 1 1 A 75 75 LYS CB C 75 31.800 32.302 -0.502 1
1 1001 . 2 1 1 A 75 75 LYS N N 75 120.300 118.790 1.510 1
1 1002 . 2 1 1 A 76 76 LYS H H 76 7.510 7.802 -0.292 1
1 1003 . 2 1 1 A 76 76 LYS HA H 76 4.230 3.995 0.235 1
1 1012 . 2 1 1 A 76 76 LYS C C 76 177.900 177.830 0.070 1
1 1013 . 2 1 1 A 76 76 LYS CA C 76 58.300 58.730 -0.430 1
1 1014 . 2 1 1 A 76 76 LYS CB C 76 33.700 33.004 0.696 1
1 1018 . 2 1 1 A 76 76 LYS N N 76 118.000 119.685 -1.685 1
1 1019 . 2 1 1 A 77 77 ILE H H 77 7.610 8.390 -0.780 1
1 1020 . 2 1 1 A 77 77 ILE HA H 77 4.670 4.431 0.239 1
1 1030 . 2 1 1 A 77 77 ILE C C 77 176.000 175.788 0.212 1
1 1031 . 2 1 1 A 77 77 ILE CA C 77 60.600 61.138 -0.538 1
1 1032 . 2 1 1 A 77 77 ILE CB C 77 39.700 40.296 -0.596 1
1 1036 . 2 1 1 A 77 77 ILE N N 77 108.200 111.868 -3.668 1
1 1037 . 2 1 1 A 78 78 GLY H H 78 7.390 7.361 0.029 1
1 1038 . 2 1 1 A 78 78 GLY HA2 H 78 4.730 4.126 0.604 1
1 1039 . 2 1 1 A 78 78 GLY HA3 H 78 3.970 4.139 -0.169 1
1 1040 . 2 1 1 A 78 78 GLY C C 78 175.800 174.889 0.911 1
1 1041 . 2 1 1 A 78 78 GLY CA C 78 44.900 44.848 0.052 1
1 1042 . 2 1 1 A 78 78 GLY N N 78 112.200 109.832 2.368 1
1 1043 . 2 1 1 A 79 79 ILE H H 79 9.030 9.041 -0.011 1
1 1044 . 2 1 1 A 79 79 ILE HA H 79 4.080 4.032 0.048 1
1 1054 . 2 1 1 A 79 79 ILE C C 79 174.700 177.885 -3.185 1
1 1055 . 2 1 1 A 79 79 ILE CA C 79 62.900 63.320 -0.420 1
1 1056 . 2 1 1 A 79 79 ILE CB C 79 38.600 38.103 0.497 1
1 1060 . 2 1 1 A 79 79 ILE N N 79 125.700 122.062 3.638 1
1 1061 . 2 1 1 A 80 80 GLU H H 80 9.480 8.328 1.152 1
1 1062 . 2 1 1 A 80 80 GLU HA H 80 4.070 3.941 0.129 1
1 1067 . 2 1 1 A 80 80 GLU C C 80 179.200 179.672 -0.472 1
1 1068 . 2 1 1 A 80 80 GLU CA C 80 59.700 59.825 -0.125 1
1 1069 . 2 1 1 A 80 80 GLU CB C 80 28.100 29.452 -1.352 1
1 1071 . 2 1 1 A 80 80 GLU N N 80 122.400 121.938 0.462 1
1 1072 . 2 1 1 A 81 81 ASN H H 81 7.570 8.117 -0.547 1
1 1073 . 2 1 1 A 81 81 ASN HA H 81 4.580 4.560 0.020 1
1 1078 . 2 1 1 A 81 81 ASN C C 81 177.600 177.921 -0.321 1
1 1079 . 2 1 1 A 81 81 ASN CA C 81 55.600 56.254 -0.654 1
1 1080 . 2 1 1 A 81 81 ASN CB C 81 37.900 38.881 -0.981 1
1 1081 . 2 1 1 A 81 81 ASN N N 81 117.000 117.941 -0.941 1
1 1083 . 2 1 1 A 82 82 VAL H H 82 8.180 8.156 0.024 1
1 1084 . 2 1 1 A 82 82 VAL HA H 82 3.590 3.532 0.058 1
1 1092 . 2 1 1 A 82 82 VAL C C 82 176.900 177.662 -0.762 1
1 1093 . 2 1 1 A 82 82 VAL CA C 82 66.800 66.851 -0.051 1
1 1094 . 2 1 1 A 82 82 VAL CB C 82 31.100 31.598 -0.498 1
1 1097 . 2 1 1 A 82 82 VAL N N 82 120.900 120.630 0.270 1
1 1098 . 2 1 1 A 83 83 ASN H H 83 8.440 8.695 -0.255 1
1 1099 . 2 1 1 A 83 83 ASN HA H 83 4.440 4.490 -0.050 1
1 1104 . 2 1 1 A 83 83 ASN C C 83 177.700 177.851 -0.151 1
1 1105 . 2 1 1 A 83 83 ASN CA C 83 56.000 56.455 -0.455 1
1 1106 . 2 1 1 A 83 83 ASN CB C 83 37.000 37.636 -0.636 1
1 1107 . 2 1 1 A 83 83 ASN N N 83 120.500 118.537 1.963 1
1 1109 . 2 1 1 A 84 84 GLN H H 84 7.550 7.410 0.140 1
1 1110 . 2 1 1 A 84 84 GLN HA H 84 4.050 4.088 -0.038 1
1 1117 . 2 1 1 A 84 84 GLN C C 84 179.000 178.553 0.447 1
1 1118 . 2 1 1 A 84 84 GLN CA C 84 58.900 58.797 0.103 1
1 1119 . 2 1 1 A 84 84 GLN CB C 84 28.300 28.185 0.115 1
1 1121 . 2 1 1 A 84 84 GLN N N 84 116.900 119.234 -2.334 1
1 1123 . 2 1 1 A 85 85 LEU H H 85 7.990 8.163 -0.173 1
1 1124 . 2 1 1 A 85 85 LEU HA H 85 4.080 4.122 -0.042 1
1 1134 . 2 1 1 A 85 85 LEU C C 85 180.400 180.008 0.392 1
1 1135 . 2 1 1 A 85 85 LEU CA C 85 58.200 58.144 0.056 1
1 1136 . 2 1 1 A 85 85 LEU CB C 85 41.700 40.854 0.846 1
1 1140 . 2 1 1 A 85 85 LEU N N 85 121.300 119.430 1.870 1
1 1141 . 2 1 1 A 86 86 ILE H H 86 8.630 8.175 0.455 1
1 1142 . 2 1 1 A 86 86 ILE HA H 86 3.560 3.671 -0.111 1
1 1152 . 2 1 1 A 86 86 ILE C C 86 177.700 178.611 -0.911 1
1 1153 . 2 1 1 A 86 86 ILE CA C 86 66.600 65.115 1.485 1
1 1154 . 2 1 1 A 86 86 ILE CB C 86 37.800 37.331 0.469 1
1 1158 . 2 1 1 A 86 86 ILE N N 86 122.000 121.150 0.850 1
1 1159 . 2 1 1 A 87 87 LEU H H 87 8.200 7.958 0.242 1
1 1160 . 2 1 1 A 87 87 LEU HA H 87 4.010 4.162 -0.152 1
1 1170 . 2 1 1 A 87 87 LEU C C 87 179.000 179.383 -0.383 1
1 1171 . 2 1 1 A 87 87 LEU CA C 87 58.200 58.139 0.061 1
1 1172 . 2 1 1 A 87 87 LEU CB C 87 40.800 42.040 -1.240 1
1 1176 . 2 1 1 A 87 87 LEU N N 87 118.300 118.797 -0.497 1
1 1177 . 2 1 1 A 88 88 THR H H 88 8.420 8.165 0.255 1
1 1178 . 2 1 1 A 88 88 THR HA H 88 4.000 4.074 -0.074 1
1 1183 . 2 1 1 A 88 88 THR C C 88 176.300 177.172 -0.872 1
1 1184 . 2 1 1 A 88 88 THR CA C 88 66.500 66.079 0.421 1
1 1185 . 2 1 1 A 88 88 THR CB C 88 69.400 68.192 1.208 1
1 1187 . 2 1 1 A 88 88 THR N N 88 112.700 116.132 -3.432 1
1 1188 . 2 1 1 A 89 89 THR H H 89 7.690 7.948 -0.258 1
1 1189 . 2 1 1 A 89 89 THR HA H 89 4.040 3.962 0.078 1
1 1194 . 2 1 1 A 89 89 THR C C 89 175.500 176.582 -1.082 1
1 1195 . 2 1 1 A 89 89 THR CA C 89 67.100 66.893 0.207 1
1 1196 . 2 1 1 A 89 89 THR CB C 89 68.500 68.112 0.388 1
1 1198 . 2 1 1 A 89 89 THR N N 89 116.600 117.606 -1.006 1
1 1199 . 2 1 1 A 90 90 ILE H H 90 8.330 7.647 0.683 1
1 1200 . 2 1 1 A 90 90 ILE HA H 90 4.420 4.501 -0.081 1
1 1210 . 2 1 1 A 90 90 ILE C C 90 175.700 177.708 -2.008 1
1 1211 . 2 1 1 A 90 90 ILE CA C 90 62.000 64.482 -2.482 1
1 1212 . 2 1 1 A 90 90 ILE CB C 90 38.500 37.780 0.720 1
1 1216 . 2 1 1 A 90 90 ILE N N 90 125.300 117.048 8.252 1
1 1217 . 2 1 1 A 91 91 LYS H H 91 7.450 8.253 -0.803 1
1 1218 . 2 1 1 A 91 91 LYS HA H 91 3.970 4.210 -0.240 1
1 1227 . 2 1 1 A 91 91 LYS CA C 91 57.200 57.926 -0.726 1
1 1228 . 2 1 1 A 91 91 LYS CB C 91 32.900 33.237 -0.337 1
1 1 . 3 1 1 A 3 3 ILE H H 3 8.310 8.451 -0.141 1
1 2 . 3 1 1 A 3 3 ILE HA H 3 3.740 4.164 -0.424 1
1 12 . 3 1 1 A 3 3 ILE C C 3 175.200 177.528 -2.328 1
1 13 . 3 1 1 A 3 3 ILE CA C 3 64.200 60.995 3.205 1
1 14 . 3 1 1 A 3 3 ILE CB C 3 37.400 38.956 -1.556 1
1 18 . 3 1 1 A 3 3 ILE N N 3 124.900 125.263 -0.363 1
1 19 . 3 1 1 A 4 4 LEU H H 4 7.270 7.555 -0.285 1
1 20 . 3 1 1 A 4 4 LEU HA H 4 3.680 4.299 -0.619 1
1 30 . 3 1 1 A 4 4 LEU C C 4 177.300 177.837 -0.537 1
1 31 . 3 1 1 A 4 4 LEU CA C 4 56.300 56.074 0.226 1
1 32 . 3 1 1 A 4 4 LEU CB C 4 41.100 40.951 0.149 1
1 36 . 3 1 1 A 4 4 LEU N N 4 116.100 120.871 -4.771 1
1 37 . 3 1 1 A 5 5 GLU H H 5 7.350 7.939 -0.589 1
1 38 . 3 1 1 A 5 5 GLU HA H 5 4.290 4.323 -0.033 1
1 43 . 3 1 1 A 5 5 GLU C C 5 176.300 176.037 0.263 1
1 44 . 3 1 1 A 5 5 GLU CA C 5 55.200 57.804 -2.604 1
1 45 . 3 1 1 A 5 5 GLU CB C 5 30.000 29.834 0.166 1
1 47 . 3 1 1 A 5 5 GLU N N 5 114.200 117.182 -2.982 1
1 48 . 3 1 1 A 6 6 ASP H H 6 7.860 7.765 0.095 1
1 49 . 3 1 1 A 6 6 ASP HA H 6 4.830 4.966 -0.136 1
1 52 . 3 1 1 A 6 6 ASP C C 6 175.500 175.699 -0.199 1
1 53 . 3 1 1 A 6 6 ASP CA C 6 53.000 51.457 1.543 1
1 54 . 3 1 1 A 6 6 ASP CB C 6 40.800 42.581 -1.781 1
1 55 . 3 1 1 A 6 6 ASP N N 6 125.000 122.868 2.132 1
1 56 . 3 1 1 A 7 7 PRO HA H 7 4.240 4.323 -0.083 1
1 63 . 3 1 1 A 7 7 PRO C C 7 179.000 178.403 0.597 1
1 64 . 3 1 1 A 7 7 PRO CA C 7 65.700 64.816 0.884 1
1 65 . 3 1 1 A 7 7 PRO CB C 7 32.300 32.195 0.105 1
1 68 . 3 1 1 A 8 8 GLU H H 8 9.250 8.499 0.751 1
1 69 . 3 1 1 A 8 8 GLU HA H 8 4.120 4.046 0.074 1
1 74 . 3 1 1 A 8 8 GLU C C 8 178.100 178.770 -0.670 1
1 75 . 3 1 1 A 8 8 GLU CA C 8 60.000 59.107 0.893 1
1 76 . 3 1 1 A 8 8 GLU CB C 8 29.200 29.174 0.026 1
1 78 . 3 1 1 A 8 8 GLU N N 8 117.600 118.428 -0.828 1
1 79 . 3 1 1 A 9 9 PHE H H 9 7.640 8.295 -0.655 1
1 80 . 3 1 1 A 9 9 PHE HA H 9 4.130 3.878 0.252 1
1 87 . 3 1 1 A 9 9 PHE C C 9 178.600 177.317 1.283 1
1 88 . 3 1 1 A 9 9 PHE CA C 9 62.200 61.291 0.909 1
1 89 . 3 1 1 A 9 9 PHE CB C 9 40.400 39.267 1.133 1
1 94 . 3 1 1 A 9 9 PHE N N 9 118.200 121.941 -3.741 1
1 95 . 3 1 1 A 10 10 VAL H H 10 8.220 7.983 0.237 1
1 96 . 3 1 1 A 10 10 VAL HA H 10 3.590 3.730 -0.140 1
1 104 . 3 1 1 A 10 10 VAL C C 10 179.400 177.586 1.814 1
1 105 . 3 1 1 A 10 10 VAL CA C 10 66.800 64.577 2.223 1
1 106 . 3 1 1 A 10 10 VAL CB C 10 31.700 31.164 0.536 1
1 109 . 3 1 1 A 10 10 VAL N N 10 120.300 118.710 1.590 1
1 110 . 3 1 1 A 11 11 LYS H H 11 7.760 7.323 0.437 1
1 111 . 3 1 1 A 11 11 LYS HA H 11 4.050 3.746 0.304 1
1 120 . 3 1 1 A 11 11 LYS C C 11 179.000 179.206 -0.206 1
1 121 . 3 1 1 A 11 11 LYS CA C 11 59.300 59.635 -0.335 1
1 122 . 3 1 1 A 11 11 LYS CB C 11 32.600 31.965 0.635 1
1 126 . 3 1 1 A 11 11 LYS N N 11 119.600 122.248 -2.648 1
1 127 . 3 1 1 A 12 12 LEU H H 12 7.750 8.077 -0.327 1
1 128 . 3 1 1 A 12 12 LEU HA H 12 4.190 3.768 0.422 1
1 138 . 3 1 1 A 12 12 LEU C C 12 178.400 178.942 -0.542 1
1 139 . 3 1 1 A 12 12 LEU CA C 12 57.800 57.806 -0.006 1
1 140 . 3 1 1 A 12 12 LEU CB C 12 41.900 41.143 0.757 1
1 144 . 3 1 1 A 12 12 LEU N N 12 119.900 119.976 -0.076 1
1 145 . 3 1 1 A 13 13 ARG H H 13 7.600 8.067 -0.467 1
1 146 . 3 1 1 A 13 13 ARG HA H 13 3.940 3.760 0.180 1
1 153 . 3 1 1 A 13 13 ARG C C 13 178.600 178.904 -0.304 1
1 154 . 3 1 1 A 13 13 ARG CA C 13 59.000 59.718 -0.718 1
1 155 . 3 1 1 A 13 13 ARG CB C 13 30.200 29.853 0.347 1
1 158 . 3 1 1 A 13 13 ARG N N 13 115.300 118.673 -3.373 1
1 159 . 3 1 1 A 14 14 GLN H H 14 7.770 7.471 0.299 1
1 160 . 3 1 1 A 14 14 GLN HA H 14 4.130 4.240 -0.110 1
1 167 . 3 1 1 A 14 14 GLN C C 14 176.500 178.158 -1.658 1
1 168 . 3 1 1 A 14 14 GLN CA C 14 57.100 57.943 -0.843 1
1 169 . 3 1 1 A 14 14 GLN CB C 14 28.200 28.582 -0.382 1
1 171 . 3 1 1 A 14 14 GLN N N 14 116.400 118.738 -2.338 1
1 173 . 3 1 1 A 15 15 PHE H H 15 8.030 7.533 0.497 1
1 174 . 3 1 1 A 15 15 PHE HA H 15 4.220 4.454 -0.234 1
1 181 . 3 1 1 A 15 15 PHE C C 15 175.200 175.835 -0.635 1
1 182 . 3 1 1 A 15 15 PHE CA C 15 59.100 59.685 -0.585 1
1 183 . 3 1 1 A 15 15 PHE CB C 15 38.800 39.194 -0.394 1
1 188 . 3 1 1 A 15 15 PHE N N 15 116.800 117.457 -0.657 1
1 189 . 3 1 1 A 16 16 LYS H H 16 7.470 8.444 -0.974 1
1 190 . 3 1 1 A 16 16 LYS HA H 16 4.190 3.975 0.215 1
1 191 . 3 1 1 A 16 16 LYS CA C 16 58.400 57.631 0.769 1
1 192 . 3 1 1 A 16 16 LYS CB C 16 33.300 30.412 2.888 1
1 193 . 3 1 1 A 16 16 LYS N N 16 122.500 116.557 5.943 1
1 194 . 3 1 1 A 17 17 GLY HA2 H 17 3.920 3.823 0.097 1
1 195 . 3 1 1 A 17 17 GLY HA3 H 17 4.210 3.941 0.269 1
1 196 . 3 1 1 A 17 17 GLY C C 17 174.300 174.791 -0.491 1
1 197 . 3 1 1 A 17 17 GLY CA C 17 46.200 45.728 0.472 1
1 198 . 3 1 1 A 18 18 LYS H H 18 8.230 7.988 0.242 1
1 199 . 3 1 1 A 18 18 LYS HA H 18 4.550 3.798 0.752 1
1 208 . 3 1 1 A 18 18 LYS C C 18 175.800 174.652 1.148 1
1 209 . 3 1 1 A 18 18 LYS CA C 18 56.100 57.738 -1.638 1
1 210 . 3 1 1 A 18 18 LYS CB C 18 33.700 29.745 3.955 1
1 214 . 3 1 1 A 18 18 LYS N N 18 118.100 116.472 1.628 1
1 215 . 3 1 1 A 19 19 VAL H H 19 7.150 7.357 -0.207 1
1 216 . 3 1 1 A 19 19 VAL HA H 19 4.400 4.800 -0.400 1
1 224 . 3 1 1 A 19 19 VAL CA C 19 58.800 58.240 0.560 1
1 225 . 3 1 1 A 19 19 VAL CB C 19 34.300 35.116 -0.816 1
1 228 . 3 1 1 A 19 19 VAL N N 19 111.100 115.158 -4.058 1
1 229 . 3 1 1 A 20 20 ASN HA H 20 4.660 4.991 -0.331 1
1 234 . 3 1 1 A 20 20 ASN C C 20 174.600 175.955 -1.355 1
1 235 . 3 1 1 A 20 20 ASN CA C 20 52.700 52.275 0.425 1
1 236 . 3 1 1 A 20 20 ASN CB C 20 37.900 40.159 -2.259 1
1 238 . 3 1 1 A 21 21 PHE H H 21 8.580 9.139 -0.559 1
1 239 . 3 1 1 A 21 21 PHE HA H 21 3.730 3.980 -0.250 1
1 247 . 3 1 1 A 21 21 PHE C C 21 175.300 177.065 -1.765 1
1 248 . 3 1 1 A 21 21 PHE CA C 21 62.500 62.484 0.016 1
1 249 . 3 1 1 A 21 21 PHE CB C 21 40.400 39.708 0.692 1
1 255 . 3 1 1 A 21 21 PHE N N 21 128.200 127.656 0.544 1
1 256 . 3 1 1 A 22 22 ASN H H 22 8.220 8.513 -0.293 1
1 257 . 3 1 1 A 22 22 ASN HA H 22 4.300 4.515 -0.215 1
1 262 . 3 1 1 A 22 22 ASN C C 22 177.800 178.034 -0.234 1
1 263 . 3 1 1 A 22 22 ASN CA C 22 56.400 56.603 -0.203 1
1 264 . 3 1 1 A 22 22 ASN CB C 22 37.900 37.950 -0.050 1
1 265 . 3 1 1 A 22 22 ASN N N 22 114.600 117.628 -3.028 1
1 267 . 3 1 1 A 23 23 LEU H H 23 7.440 7.825 -0.385 1
1 268 . 3 1 1 A 23 23 LEU HA H 23 4.190 4.096 0.094 1
1 278 . 3 1 1 A 23 23 LEU C C 23 177.800 178.760 -0.960 1
1 279 . 3 1 1 A 23 23 LEU CA C 23 56.900 57.707 -0.807 1
1 280 . 3 1 1 A 23 23 LEU CB C 23 41.400 41.988 -0.588 1
1 284 . 3 1 1 A 23 23 LEU N N 23 122.500 120.744 1.756 1
1 285 . 3 1 1 A 24 24 VAL H H 24 7.930 8.258 -0.328 1
1 286 . 3 1 1 A 24 24 VAL HA H 24 3.560 3.573 -0.013 1
1 294 . 3 1 1 A 24 24 VAL C C 24 177.500 177.717 -0.217 1
1 295 . 3 1 1 A 24 24 VAL CA C 24 67.200 66.836 0.364 1
1 296 . 3 1 1 A 24 24 VAL CB C 24 31.000 31.445 -0.445 1
1 299 . 3 1 1 A 24 24 VAL N N 24 119.400 118.971 0.429 1
1 300 . 3 1 1 A 25 25 MET H H 25 8.020 8.417 -0.397 1
1 301 . 3 1 1 A 25 25 MET HA H 25 3.640 4.019 -0.379 1
1 309 . 3 1 1 A 25 25 MET C C 25 176.800 178.179 -1.379 1
1 310 . 3 1 1 A 25 25 MET CA C 25 60.000 58.203 1.797 1
1 311 . 3 1 1 A 25 25 MET CB C 25 32.900 31.635 1.265 1
1 314 . 3 1 1 A 25 25 MET N N 25 116.600 119.240 -2.640 1
1 315 . 3 1 1 A 26 26 GLN H H 26 7.530 7.943 -0.413 1
1 316 . 3 1 1 A 26 26 GLN HA H 26 4.050 4.113 -0.063 1
1 323 . 3 1 1 A 26 26 GLN C C 26 177.800 178.481 -0.681 1
1 324 . 3 1 1 A 26 26 GLN CA C 26 59.100 58.725 0.375 1
1 325 . 3 1 1 A 26 26 GLN CB C 26 28.100 28.366 -0.266 1
1 327 . 3 1 1 A 26 26 GLN N N 26 118.200 118.573 -0.373 1
1 329 . 3 1 1 A 27 27 ILE H H 27 8.230 8.200 0.030 1
1 330 . 3 1 1 A 27 27 ILE HA H 27 3.350 3.419 -0.069 1
1 340 . 3 1 1 A 27 27 ILE C C 27 177.700 178.294 -0.594 1
1 341 . 3 1 1 A 27 27 ILE CA C 27 65.900 65.907 -0.007 1
1 342 . 3 1 1 A 27 27 ILE CB C 27 37.900 38.047 -0.147 1
1 346 . 3 1 1 A 27 27 ILE N N 27 120.700 120.517 0.183 1
1 347 . 3 1 1 A 28 28 LEU H H 28 8.550 8.432 0.118 1
1 348 . 3 1 1 A 28 28 LEU HA H 28 4.020 3.937 0.083 1
1 358 . 3 1 1 A 28 28 LEU C C 28 179.900 179.309 0.591 1
1 359 . 3 1 1 A 28 28 LEU CA C 28 58.400 58.187 0.213 1
1 360 . 3 1 1 A 28 28 LEU CB C 28 39.700 40.897 -1.197 1
1 364 . 3 1 1 A 28 28 LEU N N 28 118.900 118.863 0.037 1
1 365 . 3 1 1 A 29 29 ASP H H 29 8.470 8.509 -0.039 1
1 366 . 3 1 1 A 29 29 ASP HA H 29 4.440 4.259 0.181 1
1 369 . 3 1 1 A 29 29 ASP C C 29 179.600 178.441 1.159 1
1 370 . 3 1 1 A 29 29 ASP CA C 29 57.400 57.736 -0.336 1
1 371 . 3 1 1 A 29 29 ASP CB C 29 40.400 41.194 -0.794 1
1 372 . 3 1 1 A 29 29 ASP N N 29 120.700 119.516 1.184 1
1 373 . 3 1 1 A 30 30 GLU H H 30 8.630 8.654 -0.024 1
1 374 . 3 1 1 A 30 30 GLU HA H 30 3.980 4.104 -0.124 1
1 379 . 3 1 1 A 30 30 GLU C C 30 180.600 178.758 1.842 1
1 380 . 3 1 1 A 30 30 GLU CA C 30 60.000 59.189 0.811 1
1 381 . 3 1 1 A 30 30 GLU CB C 30 29.900 29.598 0.302 1
1 383 . 3 1 1 A 30 30 GLU N N 30 120.800 118.950 1.850 1
1 384 . 3 1 1 A 31 31 ILE H H 31 8.520 7.557 0.963 1
1 385 . 3 1 1 A 31 31 ILE HA H 31 3.540 3.890 -0.350 1
1 395 . 3 1 1 A 31 31 ILE C C 31 176.400 178.008 -1.608 1
1 396 . 3 1 1 A 31 31 ILE CA C 31 66.600 63.854 2.746 1
1 397 . 3 1 1 A 31 31 ILE CB C 31 37.800 37.475 0.325 1
1 401 . 3 1 1 A 31 31 ILE N N 31 123.100 119.966 3.134 1
1 402 . 3 1 1 A 32 32 GLU H H 32 8.070 8.400 -0.330 1
1 403 . 3 1 1 A 32 32 GLU HA H 32 3.730 4.010 -0.280 1
1 408 . 3 1 1 A 32 32 GLU C C 32 178.400 179.002 -0.602 1
1 409 . 3 1 1 A 32 32 GLU CA C 32 60.800 59.400 1.400 1
1 410 . 3 1 1 A 32 32 GLU CB C 32 28.800 29.455 -0.655 1
1 412 . 3 1 1 A 32 32 GLU N N 32 120.300 121.509 -1.209 1
1 413 . 3 1 1 A 33 33 LEU H H 33 8.160 8.329 -0.169 1
1 414 . 3 1 1 A 33 33 LEU HA H 33 3.980 3.976 0.004 1
1 424 . 3 1 1 A 33 33 LEU C C 33 180.100 178.239 1.861 1
1 425 . 3 1 1 A 33 33 LEU CA C 33 58.000 58.026 -0.026 1
1 426 . 3 1 1 A 33 33 LEU CB C 33 42.100 41.142 0.958 1
1 430 . 3 1 1 A 33 33 LEU N N 33 117.900 119.646 -1.746 1
1 431 . 3 1 1 A 34 34 ASP H H 34 8.200 7.871 0.329 1
1 432 . 3 1 1 A 34 34 ASP HA H 34 4.290 4.398 -0.108 1
1 435 . 3 1 1 A 34 34 ASP C C 34 178.600 178.304 0.296 1
1 436 . 3 1 1 A 34 34 ASP CA C 34 58.200 57.603 0.597 1
1 437 . 3 1 1 A 34 34 ASP CB C 34 42.800 41.186 1.614 1
1 438 . 3 1 1 A 34 34 ASP N N 34 120.500 119.945 0.555 1
1 439 . 3 1 1 A 35 35 LEU H H 35 8.630 8.346 0.284 1
1 440 . 3 1 1 A 35 35 LEU HA H 35 4.360 4.043 0.317 1
1 450 . 3 1 1 A 35 35 LEU C C 35 179.000 176.621 2.379 1
1 451 . 3 1 1 A 35 35 LEU CA C 35 56.400 58.077 -1.677 1
1 452 . 3 1 1 A 35 35 LEU CB C 35 42.800 41.791 1.009 1
1 456 . 3 1 1 A 35 35 LEU N N 35 121.300 120.631 0.669 1
1 457 . 3 1 1 A 36 36 ARG H H 36 7.410 8.152 -0.742 1
1 458 . 3 1 1 A 36 36 ARG HA H 36 4.050 3.857 0.193 1
1 465 . 3 1 1 A 36 36 ARG C C 36 177.800 176.566 1.234 1
1 466 . 3 1 1 A 36 36 ARG CA C 36 59.000 58.730 0.270 1
1 467 . 3 1 1 A 36 36 ARG CB C 36 30.000 28.755 1.245 1
1 470 . 3 1 1 A 36 36 ARG N N 36 117.000 117.760 -0.760 1
1 471 . 3 1 1 A 37 37 GLY H H 37 7.580 8.447 -0.867 1
1 472 . 3 1 1 A 37 37 GLY HA2 H 37 3.830 4.150 -0.320 1
1 473 . 3 1 1 A 37 37 GLY HA3 H 37 4.280 4.190 0.090 1
1 474 . 3 1 1 A 37 37 GLY C C 37 174.800 174.038 0.762 1
1 475 . 3 1 1 A 37 37 GLY CA C 37 45.200 45.781 -0.581 1
1 476 . 3 1 1 A 37 37 GLY N N 37 103.600 106.598 -2.998 1
1 477 . 3 1 1 A 38 38 SER H H 38 8.380 7.877 0.503 1
1 478 . 3 1 1 A 38 38 SER HA H 38 4.330 4.636 -0.306 1
1 481 . 3 1 1 A 38 38 SER C C 38 175.100 174.895 0.205 1
1 482 . 3 1 1 A 38 38 SER CA C 38 58.700 57.149 1.551 1
1 483 . 3 1 1 A 38 38 SER CB C 38 63.800 64.990 -1.190 1
1 484 . 3 1 1 A 38 38 SER N N 38 117.800 116.219 1.581 1
1 485 . 3 1 1 A 39 39 ASP H H 39 8.520 8.573 -0.053 1
1 486 . 3 1 1 A 39 39 ASP HA H 39 4.470 5.004 -0.534 1
1 489 . 3 1 1 A 39 39 ASP C C 39 175.300 176.329 -1.029 1
1 490 . 3 1 1 A 39 39 ASP CA C 39 55.400 54.380 1.020 1
1 491 . 3 1 1 A 39 39 ASP CB C 39 41.500 42.149 -0.649 1
1 492 . 3 1 1 A 39 39 ASP N N 39 120.500 123.369 -2.869 1
1 493 . 3 1 1 A 40 40 ASN H H 40 8.230 7.510 0.720 1
1 494 . 3 1 1 A 40 40 ASN HA H 40 4.800 5.010 -0.210 1
1 499 . 3 1 1 A 40 40 ASN C C 40 174.600 175.053 -0.453 1
1 500 . 3 1 1 A 40 40 ASN CA C 40 52.900 51.854 1.046 1
1 501 . 3 1 1 A 40 40 ASN CB C 40 39.500 37.130 2.370 1
1 502 . 3 1 1 A 40 40 ASN N N 40 116.100 117.425 -1.325 1
1 504 . 3 1 1 A 41 41 ILE H H 41 8.340 7.719 0.621 1
1 505 . 3 1 1 A 41 41 ILE HA H 41 3.840 3.841 -0.001 1
1 515 . 3 1 1 A 41 41 ILE C C 41 175.000 177.250 -2.250 1
1 516 . 3 1 1 A 41 41 ILE CA C 41 62.500 62.325 0.175 1
1 517 . 3 1 1 A 41 41 ILE CB C 41 37.600 37.811 -0.211 1
1 521 . 3 1 1 A 41 41 ILE N N 41 124.800 124.220 0.580 1
1 522 . 3 1 1 A 42 42 LYS H H 42 7.790 8.189 -0.399 1
1 523 . 3 1 1 A 42 42 LYS HA H 42 3.780 3.976 -0.196 1
1 532 . 3 1 1 A 42 42 LYS C C 42 178.300 178.556 -0.256 1
1 533 . 3 1 1 A 42 42 LYS CA C 42 60.200 58.570 1.630 1
1 534 . 3 1 1 A 42 42 LYS CB C 42 31.800 31.833 -0.033 1
1 538 . 3 1 1 A 42 42 LYS N N 42 122.100 119.714 2.386 1
1 539 . 3 1 1 A 43 43 THR H H 43 7.500 7.909 -0.409 1
1 540 . 3 1 1 A 43 43 THR HA H 43 3.790 3.622 0.168 1
1 545 . 3 1 1 A 43 43 THR C C 43 177.100 175.907 1.193 1
1 546 . 3 1 1 A 43 43 THR CA C 43 65.900 66.196 -0.296 1
1 547 . 3 1 1 A 43 43 THR CB C 43 68.400 68.381 0.019 1
1 549 . 3 1 1 A 43 43 THR N N 43 112.900 117.162 -4.262 1
1 550 . 3 1 1 A 44 44 SER H H 44 7.860 7.495 0.365 1
1 551 . 3 1 1 A 44 44 SER HA H 44 4.570 4.075 0.495 1
1 554 . 3 1 1 A 44 44 SER C C 44 175.100 175.858 -0.758 1
1 555 . 3 1 1 A 44 44 SER CA C 44 63.600 62.171 1.429 1
1 556 . 3 1 1 A 44 44 SER CB C 44 63.900 62.829 1.071 1
1 557 . 3 1 1 A 44 44 SER N N 44 119.700 117.641 2.059 1
1 558 . 3 1 1 A 45 45 ILE H H 45 8.240 7.794 0.446 1
1 559 . 3 1 1 A 45 45 ILE HA H 45 3.140 3.473 -0.333 1
1 569 . 3 1 1 A 45 45 ILE C C 45 176.500 177.899 -1.399 1
1 570 . 3 1 1 A 45 45 ILE CA C 45 66.200 64.599 1.601 1
1 571 . 3 1 1 A 45 45 ILE CB C 45 37.800 37.471 0.329 1
1 575 . 3 1 1 A 45 45 ILE N N 45 121.300 120.550 0.750 1
1 576 . 3 1 1 A 46 46 ILE H H 46 7.680 7.678 0.002 1
1 577 . 3 1 1 A 46 46 ILE HA H 46 3.480 3.485 -0.005 1
1 587 . 3 1 1 A 46 46 ILE C C 46 178.900 177.685 1.215 1
1 588 . 3 1 1 A 46 46 ILE CA C 46 65.300 65.132 0.168 1
1 589 . 3 1 1 A 46 46 ILE CB C 46 37.800 37.836 -0.036 1
1 593 . 3 1 1 A 46 46 ILE N N 46 117.100 119.683 -2.583 1
1 594 . 3 1 1 A 47 47 TYR H H 47 8.400 7.370 1.030 1
1 595 . 3 1 1 A 47 47 TYR HA H 47 4.190 4.400 -0.210 1
1 602 . 3 1 1 A 47 47 TYR C C 47 178.700 178.586 0.114 1
1 603 . 3 1 1 A 47 47 TYR CA C 47 61.300 60.970 0.330 1
1 604 . 3 1 1 A 47 47 TYR CB C 47 38.400 38.326 0.074 1
1 609 . 3 1 1 A 47 47 TYR N N 47 120.900 120.018 0.882 1
1 610 . 3 1 1 A 48 48 VAL H H 48 8.480 7.965 0.515 1
1 611 . 3 1 1 A 48 48 VAL HA H 48 3.560 3.943 -0.383 1
1 619 . 3 1 1 A 48 48 VAL C C 48 179.600 178.047 1.553 1
1 620 . 3 1 1 A 48 48 VAL CA C 48 67.000 66.396 0.604 1
1 621 . 3 1 1 A 48 48 VAL CB C 48 31.700 31.704 -0.004 1
1 624 . 3 1 1 A 48 48 VAL N N 48 121.600 119.720 1.880 1
1 625 . 3 1 1 A 49 49 TYR H H 49 9.630 8.482 1.148 1
1 626 . 3 1 1 A 49 49 TYR HA H 49 4.080 4.139 -0.059 1
1 633 . 3 1 1 A 49 49 TYR C C 49 179.300 178.623 0.677 1
1 634 . 3 1 1 A 49 49 TYR CA C 49 59.900 60.954 -1.054 1
1 635 . 3 1 1 A 49 49 TYR CB C 49 35.300 37.555 -2.255 1
1 640 . 3 1 1 A 49 49 TYR N N 49 122.000 119.490 2.510 1
1 641 . 3 1 1 A 50 50 SER H H 50 8.120 8.192 -0.072 1
1 642 . 3 1 1 A 50 50 SER HA H 50 4.130 4.433 -0.303 1
1 645 . 3 1 1 A 50 50 SER C C 50 175.700 175.479 0.221 1
1 646 . 3 1 1 A 50 50 SER CA C 50 62.000 61.664 0.336 1
1 647 . 3 1 1 A 50 50 SER CB C 50 62.900 63.447 -0.547 1
1 648 . 3 1 1 A 50 50 SER N N 50 112.600 116.806 -4.206 1
1 649 . 3 1 1 A 51 51 SER H H 51 7.510 7.895 -0.385 1
1 650 . 3 1 1 A 51 51 SER HA H 51 4.350 4.204 0.146 1
1 653 . 3 1 1 A 51 51 SER C C 51 173.600 175.167 -1.567 1
1 654 . 3 1 1 A 51 51 SER CA C 51 59.500 60.998 -1.498 1
1 655 . 3 1 1 A 51 51 SER CB C 51 63.300 63.331 -0.031 1
1 656 . 3 1 1 A 51 51 SER N N 51 116.800 116.225 0.575 1
1 657 . 3 1 1 A 52 52 HIS H H 52 7.590 7.878 -0.288 1
1 658 . 3 1 1 A 52 52 HIS HA H 52 4.890 4.992 -0.102 1
1 663 . 3 1 1 A 52 52 HIS C C 52 175.200 175.599 -0.399 1
1 664 . 3 1 1 A 52 52 HIS CA C 52 54.100 54.895 -0.795 1
1 665 . 3 1 1 A 52 52 HIS CB C 52 29.500 29.446 0.054 1
1 668 . 3 1 1 A 52 52 HIS N N 52 120.500 116.513 3.987 1
1 669 . 3 1 1 A 53 53 LEU H H 53 7.440 7.799 -0.359 1
1 670 . 3 1 1 A 53 53 LEU HA H 53 3.870 3.821 0.049 1
1 680 . 3 1 1 A 53 53 LEU C C 53 177.900 178.544 -0.644 1
1 681 . 3 1 1 A 53 53 LEU CA C 53 59.100 58.370 0.730 1
1 682 . 3 1 1 A 53 53 LEU CB C 53 42.300 41.477 0.823 1
1 686 . 3 1 1 A 53 53 LEU N N 53 121.400 121.086 0.314 1
1 687 . 3 1 1 A 54 54 ASP H H 54 8.400 8.707 -0.307 1
1 688 . 3 1 1 A 54 54 ASP HA H 54 4.290 4.266 0.024 1
1 691 . 3 1 1 A 54 54 ASP C C 54 177.900 178.418 -0.518 1
1 692 . 3 1 1 A 54 54 ASP CA C 54 57.600 56.807 0.793 1
1 693 . 3 1 1 A 54 54 ASP CB C 54 40.200 39.834 0.366 1
1 694 . 3 1 1 A 54 54 ASP N N 54 115.900 117.824 -1.924 1
1 695 . 3 1 1 A 55 55 GLU H H 55 7.500 7.743 -0.243 1
1 696 . 3 1 1 A 55 55 GLU HA H 55 4.310 4.137 0.173 1
1 701 . 3 1 1 A 55 55 GLU C C 55 178.300 178.786 -0.486 1
1 702 . 3 1 1 A 55 55 GLU CA C 55 57.800 58.721 -0.921 1
1 703 . 3 1 1 A 55 55 GLU CB C 55 29.100 29.339 -0.239 1
1 705 . 3 1 1 A 55 55 GLU N N 55 120.100 119.172 0.928 1
1 706 . 3 1 1 A 56 56 ILE H H 56 7.720 8.037 -0.317 1
1 707 . 3 1 1 A 56 56 ILE HA H 56 3.440 3.241 0.199 1
1 717 . 3 1 1 A 56 56 ILE C C 56 178.600 178.062 0.538 1
1 718 . 3 1 1 A 56 56 ILE CA C 56 62.500 65.173 -2.673 1
1 719 . 3 1 1 A 56 56 ILE CB C 56 36.200 37.461 -1.261 1
1 723 . 3 1 1 A 56 56 ILE N N 56 119.600 119.818 -0.218 1
1 724 . 3 1 1 A 57 57 ARG H H 57 8.200 8.492 -0.292 1
1 725 . 3 1 1 A 57 57 ARG HA H 57 3.930 4.008 -0.078 1
1 732 . 3 1 1 A 57 57 ARG C C 57 178.800 179.084 -0.284 1
1 733 . 3 1 1 A 57 57 ARG CA C 57 59.000 59.922 -0.922 1
1 734 . 3 1 1 A 57 57 ARG CB C 57 30.100 29.791 0.309 1
1 737 . 3 1 1 A 57 57 ARG N N 57 115.500 120.277 -4.777 1
1 738 . 3 1 1 A 58 58 LYS H H 58 7.400 7.340 0.060 1
1 739 . 3 1 1 A 58 58 LYS HA H 58 4.210 4.147 0.063 1
1 748 . 3 1 1 A 58 58 LYS C C 58 176.800 177.375 -0.575 1
1 749 . 3 1 1 A 58 58 LYS CA C 58 58.100 59.188 -1.088 1
1 750 . 3 1 1 A 58 58 LYS CB C 58 33.100 32.340 0.760 1
1 754 . 3 1 1 A 58 58 LYS N N 58 117.400 120.011 -2.611 1
1 755 . 3 1 1 A 59 59 ASN H H 59 7.630 7.595 0.035 1
1 756 . 3 1 1 A 59 59 ASN HA H 59 5.310 5.153 0.157 1
1 761 . 3 1 1 A 59 59 ASN C C 59 174.900 175.017 -0.117 1
1 762 . 3 1 1 A 59 59 ASN CA C 59 52.100 52.439 -0.339 1
1 763 . 3 1 1 A 59 59 ASN CB C 59 40.200 38.961 1.239 1
1 764 . 3 1 1 A 59 59 ASN N N 59 119.200 115.529 3.671 1
1 766 . 3 1 1 A 60 60 LYS H H 60 7.460 8.289 -0.829 1
1 767 . 3 1 1 A 60 60 LYS HA H 60 4.070 4.360 -0.290 1
1 776 . 3 1 1 A 60 60 LYS C C 60 177.900 178.606 -0.706 1
1 777 . 3 1 1 A 60 60 LYS CA C 60 61.100 59.106 1.994 1
1 778 . 3 1 1 A 60 60 LYS CB C 60 33.300 32.025 1.275 1
1 782 . 3 1 1 A 60 60 LYS N N 60 122.700 118.910 3.790 1
1 783 . 3 1 1 A 61 61 GLU H H 61 8.660 8.308 0.352 1
1 784 . 3 1 1 A 61 61 GLU HA H 61 4.080 4.143 -0.063 1
1 789 . 3 1 1 A 61 61 GLU C C 61 178.900 179.250 -0.350 1
1 790 . 3 1 1 A 61 61 GLU CA C 61 60.100 59.485 0.615 1
1 791 . 3 1 1 A 61 61 GLU CB C 61 29.100 29.424 -0.324 1
1 793 . 3 1 1 A 61 61 GLU N N 61 117.300 119.435 -2.135 1
1 794 . 3 1 1 A 62 62 PHE H H 62 7.670 7.890 -0.220 1
1 795 . 3 1 1 A 62 62 PHE HA H 62 3.420 4.221 -0.801 1
1 803 . 3 1 1 A 62 62 PHE C C 62 176.200 177.015 -0.815 1
1 804 . 3 1 1 A 62 62 PHE CA C 62 60.900 61.410 -0.510 1
1 805 . 3 1 1 A 62 62 PHE CB C 62 38.300 39.014 -0.714 1
1 811 . 3 1 1 A 62 62 PHE N N 62 119.300 120.945 -1.645 1
1 812 . 3 1 1 A 63 63 TYR H H 63 7.850 8.438 -0.588 1
1 813 . 3 1 1 A 63 63 TYR HA H 63 3.870 4.314 -0.444 1
1 820 . 3 1 1 A 63 63 TYR C C 63 180.200 177.560 2.640 1
1 821 . 3 1 1 A 63 63 TYR CA C 63 63.500 61.701 1.799 1
1 822 . 3 1 1 A 63 63 TYR CB C 63 37.100 37.378 -0.278 1
1 827 . 3 1 1 A 63 63 TYR N N 63 116.500 117.706 -1.206 1
1 828 . 3 1 1 A 64 64 ASP H H 64 9.110 8.438 0.672 1
1 829 . 3 1 1 A 64 64 ASP HA H 64 4.650 4.619 0.031 1
1 832 . 3 1 1 A 64 64 ASP C C 64 178.700 178.763 -0.063 1
1 833 . 3 1 1 A 64 64 ASP CA C 64 57.600 57.174 0.426 1
1 834 . 3 1 1 A 64 64 ASP CB C 64 39.800 41.001 -1.201 1
1 835 . 3 1 1 A 64 64 ASP N N 64 126.100 121.721 4.379 1
1 836 . 3 1 1 A 65 65 MET H H 65 7.600 8.207 -0.607 1
1 837 . 3 1 1 A 65 65 MET HA H 65 4.140 4.194 -0.054 1
1 845 . 3 1 1 A 65 65 MET C C 65 178.800 178.080 0.720 1
1 846 . 3 1 1 A 65 65 MET CA C 65 59.300 58.752 0.548 1
1 847 . 3 1 1 A 65 65 MET CB C 65 32.800 33.009 -0.209 1
1 850 . 3 1 1 A 65 65 MET N N 65 121.100 117.913 3.187 1
1 851 . 3 1 1 A 66 66 ILE H H 66 7.910 8.080 -0.170 1
1 852 . 3 1 1 A 66 66 ILE HA H 66 3.430 3.749 -0.319 1
1 862 . 3 1 1 A 66 66 ILE C C 66 177.000 177.830 -0.830 1
1 863 . 3 1 1 A 66 66 ILE CA C 66 64.500 64.225 0.275 1
1 864 . 3 1 1 A 66 66 ILE CB C 66 36.700 37.402 -0.702 1
1 868 . 3 1 1 A 66 66 ILE N N 66 116.900 116.329 0.571 1
1 869 . 3 1 1 A 67 67 ALA H H 67 7.660 8.143 -0.483 1
1 870 . 3 1 1 A 67 67 ALA HA H 67 3.940 4.006 -0.066 1
1 874 . 3 1 1 A 67 67 ALA C C 67 180.200 179.594 0.606 1
1 875 . 3 1 1 A 67 67 ALA CA C 67 55.600 55.841 -0.241 1
1 876 . 3 1 1 A 67 67 ALA CB C 67 18.000 18.318 -0.318 1
1 877 . 3 1 1 A 67 67 ALA N N 67 120.700 122.233 -1.533 1
1 878 . 3 1 1 A 68 68 GLU H H 68 7.660 7.972 -0.312 1
1 879 . 3 1 1 A 68 68 GLU HA H 68 4.040 4.127 -0.087 1
1 884 . 3 1 1 A 68 68 GLU C C 68 179.000 179.067 -0.067 1
1 885 . 3 1 1 A 68 68 GLU CA C 68 59.300 59.320 -0.020 1
1 886 . 3 1 1 A 68 68 GLU CB C 68 29.500 29.181 0.319 1
1 888 . 3 1 1 A 68 68 GLU N N 68 118.700 116.287 2.413 1
1 889 . 3 1 1 A 69 69 ILE H H 69 8.240 7.796 0.444 1
1 890 . 3 1 1 A 69 69 ILE HA H 69 3.630 3.795 -0.165 1
1 900 . 3 1 1 A 69 69 ILE C C 69 178.200 177.937 0.263 1
1 901 . 3 1 1 A 69 69 ILE CA C 69 65.700 65.948 -0.248 1
1 902 . 3 1 1 A 69 69 ILE CB C 69 38.100 37.716 0.384 1
1 906 . 3 1 1 A 69 69 ILE N N 69 120.700 121.451 -0.751 1
1 907 . 3 1 1 A 70 70 LEU H H 70 8.770 8.836 -0.066 1
1 908 . 3 1 1 A 70 70 LEU HA H 70 3.960 3.921 0.039 1
1 918 . 3 1 1 A 70 70 LEU C C 70 179.300 179.480 -0.180 1
1 919 . 3 1 1 A 70 70 LEU CA C 70 59.100 58.283 0.817 1
1 920 . 3 1 1 A 70 70 LEU CB C 70 43.000 41.489 1.511 1
1 924 . 3 1 1 A 70 70 LEU N N 70 119.100 120.087 -0.987 1
1 925 . 3 1 1 A 71 71 GLN H H 71 7.660 7.852 -0.192 1
1 926 . 3 1 1 A 71 71 GLN HA H 71 3.960 4.158 -0.198 1
1 933 . 3 1 1 A 71 71 GLN C C 71 177.700 178.807 -1.107 1
1 934 . 3 1 1 A 71 71 GLN CA C 71 59.800 59.302 0.498 1
1 935 . 3 1 1 A 71 71 GLN CB C 71 30.000 28.524 1.476 1
1 937 . 3 1 1 A 71 71 GLN N N 71 114.200 118.430 -4.230 1
1 939 . 3 1 1 A 72 72 ARG H H 72 8.180 8.087 0.093 1
1 940 . 3 1 1 A 72 72 ARG HA H 72 4.000 4.008 -0.008 1
1 947 . 3 1 1 A 72 72 ARG C C 72 178.900 178.027 0.873 1
1 948 . 3 1 1 A 72 72 ARG CA C 72 58.900 58.943 -0.043 1
1 949 . 3 1 1 A 72 72 ARG CB C 72 31.100 29.835 1.265 1
1 952 . 3 1 1 A 72 72 ARG N N 72 118.300 120.188 -1.888 1
1 953 . 3 1 1 A 73 73 TYR H H 73 7.970 8.328 -0.358 1
1 954 . 3 1 1 A 73 73 TYR HA H 73 4.800 4.354 0.446 1
1 961 . 3 1 1 A 73 73 TYR C C 73 178.000 177.911 0.089 1
1 962 . 3 1 1 A 73 73 TYR CA C 73 60.100 59.920 0.180 1
1 963 . 3 1 1 A 73 73 TYR CB C 73 41.200 38.823 2.377 1
1 968 . 3 1 1 A 73 73 TYR N N 73 111.500 118.211 -6.711 1
1 969 . 3 1 1 A 74 74 TYR H H 74 8.750 8.131 0.619 1
1 970 . 3 1 1 A 74 74 TYR HA H 74 4.080 4.225 -0.145 1
1 977 . 3 1 1 A 74 74 TYR C C 74 176.600 177.762 -1.162 1
1 978 . 3 1 1 A 74 74 TYR CA C 74 62.400 61.150 1.250 1
1 979 . 3 1 1 A 74 74 TYR CB C 74 36.100 37.987 -1.887 1
1 984 . 3 1 1 A 74 74 TYR N N 74 121.500 120.684 0.816 1
1 985 . 3 1 1 A 75 75 LYS H H 75 7.760 7.570 0.190 1
1 986 . 3 1 1 A 75 75 LYS HA H 75 3.710 3.628 0.082 1
1 995 . 3 1 1 A 75 75 LYS C C 75 177.500 178.867 -1.367 1
1 996 . 3 1 1 A 75 75 LYS CA C 75 57.600 58.500 -0.900 1
1 997 . 3 1 1 A 75 75 LYS CB C 75 31.800 31.910 -0.110 1
1 1001 . 3 1 1 A 75 75 LYS N N 75 120.300 120.337 -0.037 1
1 1002 . 3 1 1 A 76 76 LYS H H 76 7.510 7.868 -0.358 1
1 1003 . 3 1 1 A 76 76 LYS HA H 76 4.230 4.076 0.154 1
1 1012 . 3 1 1 A 76 76 LYS C C 76 177.900 178.318 -0.418 1
1 1013 . 3 1 1 A 76 76 LYS CA C 76 58.300 58.233 0.067 1
1 1014 . 3 1 1 A 76 76 LYS CB C 76 33.700 33.098 0.602 1
1 1018 . 3 1 1 A 76 76 LYS N N 76 118.000 117.793 0.207 1
1 1019 . 3 1 1 A 77 77 ILE H H 77 7.610 8.282 -0.672 1
1 1020 . 3 1 1 A 77 77 ILE HA H 77 4.670 4.457 0.213 1
1 1030 . 3 1 1 A 77 77 ILE C C 77 176.000 175.873 0.127 1
1 1031 . 3 1 1 A 77 77 ILE CA C 77 60.600 61.084 -0.484 1
1 1032 . 3 1 1 A 77 77 ILE CB C 77 39.700 40.237 -0.537 1
1 1036 . 3 1 1 A 77 77 ILE N N 77 108.200 111.677 -3.477 1
1 1037 . 3 1 1 A 78 78 GLY H H 78 7.390 7.418 -0.028 1
1 1038 . 3 1 1 A 78 78 GLY HA2 H 78 4.730 4.124 0.606 1
1 1039 . 3 1 1 A 78 78 GLY HA3 H 78 3.970 4.151 -0.181 1
1 1040 . 3 1 1 A 78 78 GLY C C 78 175.800 175.082 0.718 1
1 1041 . 3 1 1 A 78 78 GLY CA C 78 44.900 44.628 0.272 1
1 1042 . 3 1 1 A 78 78 GLY N N 78 112.200 109.697 2.503 1
1 1043 . 3 1 1 A 79 79 ILE H H 79 9.030 8.846 0.184 1
1 1044 . 3 1 1 A 79 79 ILE HA H 79 4.080 4.018 0.062 1
1 1054 . 3 1 1 A 79 79 ILE C C 79 174.700 177.976 -3.276 1
1 1055 . 3 1 1 A 79 79 ILE CA C 79 62.900 63.299 -0.399 1
1 1056 . 3 1 1 A 79 79 ILE CB C 79 38.600 37.885 0.715 1
1 1060 . 3 1 1 A 79 79 ILE N N 79 125.700 122.048 3.652 1
1 1061 . 3 1 1 A 80 80 GLU H H 80 9.480 8.472 1.008 1
1 1062 . 3 1 1 A 80 80 GLU HA H 80 4.070 3.956 0.114 1
1 1067 . 3 1 1 A 80 80 GLU C C 80 179.200 179.499 -0.299 1
1 1068 . 3 1 1 A 80 80 GLU CA C 80 59.700 60.035 -0.335 1
1 1069 . 3 1 1 A 80 80 GLU CB C 80 28.100 29.316 -1.216 1
1 1071 . 3 1 1 A 80 80 GLU N N 80 122.400 121.559 0.841 1
1 1072 . 3 1 1 A 81 81 ASN H H 81 7.570 8.209 -0.639 1
1 1073 . 3 1 1 A 81 81 ASN HA H 81 4.580 4.605 -0.025 1
1 1078 . 3 1 1 A 81 81 ASN C C 81 177.600 177.932 -0.332 1
1 1079 . 3 1 1 A 81 81 ASN CA C 81 55.600 55.734 -0.134 1
1 1080 . 3 1 1 A 81 81 ASN CB C 81 37.900 38.733 -0.833 1
1 1081 . 3 1 1 A 81 81 ASN N N 81 117.000 118.254 -1.254 1
1 1083 . 3 1 1 A 82 82 VAL H H 82 8.180 8.042 0.138 1
1 1084 . 3 1 1 A 82 82 VAL HA H 82 3.590 3.554 0.036 1
1 1092 . 3 1 1 A 82 82 VAL C C 82 176.900 177.785 -0.885 1
1 1093 . 3 1 1 A 82 82 VAL CA C 82 66.800 66.658 0.142 1
1 1094 . 3 1 1 A 82 82 VAL CB C 82 31.100 31.706 -0.606 1
1 1097 . 3 1 1 A 82 82 VAL N N 82 120.900 120.648 0.252 1
1 1098 . 3 1 1 A 83 83 ASN H H 83 8.440 8.661 -0.221 1
1 1099 . 3 1 1 A 83 83 ASN HA H 83 4.440 4.448 -0.008 1
1 1104 . 3 1 1 A 83 83 ASN C C 83 177.700 177.830 -0.130 1
1 1105 . 3 1 1 A 83 83 ASN CA C 83 56.000 56.477 -0.477 1
1 1106 . 3 1 1 A 83 83 ASN CB C 83 37.000 37.485 -0.485 1
1 1107 . 3 1 1 A 83 83 ASN N N 83 120.500 118.846 1.654 1
1 1109 . 3 1 1 A 84 84 GLN H H 84 7.550 7.544 0.006 1
1 1110 . 3 1 1 A 84 84 GLN HA H 84 4.050 4.093 -0.043 1
1 1117 . 3 1 1 A 84 84 GLN C C 84 179.000 178.630 0.370 1
1 1118 . 3 1 1 A 84 84 GLN CA C 84 58.900 58.672 0.228 1
1 1119 . 3 1 1 A 84 84 GLN CB C 84 28.300 28.125 0.175 1
1 1121 . 3 1 1 A 84 84 GLN N N 84 116.900 119.396 -2.496 1
1 1123 . 3 1 1 A 85 85 LEU H H 85 7.990 8.292 -0.302 1
1 1124 . 3 1 1 A 85 85 LEU HA H 85 4.080 4.126 -0.046 1
1 1134 . 3 1 1 A 85 85 LEU C C 85 180.400 179.322 1.078 1
1 1135 . 3 1 1 A 85 85 LEU CA C 85 58.200 58.045 0.155 1
1 1136 . 3 1 1 A 85 85 LEU CB C 85 41.700 41.547 0.153 1
1 1140 . 3 1 1 A 85 85 LEU N N 85 121.300 119.229 2.071 1
1 1141 . 3 1 1 A 86 86 ILE H H 86 8.630 8.496 0.134 1
1 1142 . 3 1 1 A 86 86 ILE HA H 86 3.560 3.621 -0.061 1
1 1152 . 3 1 1 A 86 86 ILE C C 86 177.700 178.526 -0.826 1
1 1153 . 3 1 1 A 86 86 ILE CA C 86 66.600 64.933 1.667 1
1 1154 . 3 1 1 A 86 86 ILE CB C 86 37.800 36.998 0.802 1
1 1158 . 3 1 1 A 86 86 ILE N N 86 122.000 120.405 1.595 1
1 1159 . 3 1 1 A 87 87 LEU H H 87 8.200 8.087 0.113 1
1 1160 . 3 1 1 A 87 87 LEU HA H 87 4.010 4.007 0.003 1
1 1170 . 3 1 1 A 87 87 LEU C C 87 179.000 179.195 -0.195 1
1 1171 . 3 1 1 A 87 87 LEU CA C 87 58.200 58.047 0.153 1
1 1172 . 3 1 1 A 87 87 LEU CB C 87 40.800 41.828 -1.028 1
1 1176 . 3 1 1 A 87 87 LEU N N 87 118.300 118.977 -0.677 1
1 1177 . 3 1 1 A 88 88 THR H H 88 8.420 8.249 0.171 1
1 1178 . 3 1 1 A 88 88 THR HA H 88 4.000 4.122 -0.122 1
1 1183 . 3 1 1 A 88 88 THR C C 88 176.300 177.247 -0.947 1
1 1184 . 3 1 1 A 88 88 THR CA C 88 66.500 66.099 0.401 1
1 1185 . 3 1 1 A 88 88 THR CB C 88 69.400 68.334 1.066 1
1 1187 . 3 1 1 A 88 88 THR N N 88 112.700 116.106 -3.406 1
1 1188 . 3 1 1 A 89 89 THR H H 89 7.690 8.082 -0.392 1
1 1189 . 3 1 1 A 89 89 THR HA H 89 4.040 4.001 0.039 1
1 1194 . 3 1 1 A 89 89 THR C C 89 175.500 176.745 -1.245 1
1 1195 . 3 1 1 A 89 89 THR CA C 89 67.100 67.028 0.072 1
1 1196 . 3 1 1 A 89 89 THR CB C 89 68.500 67.974 0.526 1
1 1198 . 3 1 1 A 89 89 THR N N 89 116.600 117.722 -1.122 1
1 1199 . 3 1 1 A 90 90 ILE H H 90 8.330 7.448 0.882 1
1 1200 . 3 1 1 A 90 90 ILE HA H 90 4.420 4.175 0.245 1
1 1210 . 3 1 1 A 90 90 ILE C C 90 175.700 175.832 -0.132 1
1 1211 . 3 1 1 A 90 90 ILE CA C 90 62.000 63.656 -1.656 1
1 1212 . 3 1 1 A 90 90 ILE CB C 90 38.500 38.122 0.378 1
1 1216 . 3 1 1 A 90 90 ILE N N 90 125.300 112.915 12.385 1
1 1217 . 3 1 1 A 91 91 LYS H H 91 7.450 7.821 -0.371 1
1 1218 . 3 1 1 A 91 91 LYS HA H 91 3.970 4.473 -0.503 1
1 1227 . 3 1 1 A 91 91 LYS CA C 91 57.200 55.261 1.939 1
1 1228 . 3 1 1 A 91 91 LYS CB C 91 32.900 32.540 0.360 1
1 1 . 4 1 1 A 3 3 ILE H H 3 8.310 8.571 -0.261 1
1 2 . 4 1 1 A 3 3 ILE HA H 3 3.740 4.236 -0.496 1
1 12 . 4 1 1 A 3 3 ILE C C 3 175.200 177.212 -2.012 1
1 13 . 4 1 1 A 3 3 ILE CA C 3 64.200 60.934 3.266 1
1 14 . 4 1 1 A 3 3 ILE CB C 3 37.400 40.440 -3.040 1
1 18 . 4 1 1 A 3 3 ILE N N 3 124.900 125.801 -0.901 1
1 19 . 4 1 1 A 4 4 LEU H H 4 7.270 7.742 -0.472 1
1 20 . 4 1 1 A 4 4 LEU HA H 4 3.680 4.319 -0.639 1
1 30 . 4 1 1 A 4 4 LEU C C 4 177.300 177.759 -0.459 1
1 31 . 4 1 1 A 4 4 LEU CA C 4 56.300 55.522 0.778 1
1 32 . 4 1 1 A 4 4 LEU CB C 4 41.100 40.940 0.160 1
1 36 . 4 1 1 A 4 4 LEU N N 4 116.100 121.587 -5.487 1
1 37 . 4 1 1 A 5 5 GLU H H 5 7.350 7.967 -0.617 1
1 38 . 4 1 1 A 5 5 GLU HA H 5 4.290 4.293 -0.003 1
1 43 . 4 1 1 A 5 5 GLU C C 5 176.300 176.240 0.060 1
1 44 . 4 1 1 A 5 5 GLU CA C 5 55.200 58.790 -3.590 1
1 45 . 4 1 1 A 5 5 GLU CB C 5 30.000 30.023 -0.023 1
1 47 . 4 1 1 A 5 5 GLU N N 5 114.200 117.434 -3.234 1
1 48 . 4 1 1 A 6 6 ASP H H 6 7.860 7.710 0.150 1
1 49 . 4 1 1 A 6 6 ASP HA H 6 4.830 4.987 -0.157 1
1 52 . 4 1 1 A 6 6 ASP C C 6 175.500 175.618 -0.118 1
1 53 . 4 1 1 A 6 6 ASP CA C 6 53.000 51.489 1.511 1
1 54 . 4 1 1 A 6 6 ASP CB C 6 40.800 42.414 -1.614 1
1 55 . 4 1 1 A 6 6 ASP N N 6 125.000 122.271 2.729 1
1 56 . 4 1 1 A 7 7 PRO HA H 7 4.240 4.417 -0.177 1
1 63 . 4 1 1 A 7 7 PRO C C 7 179.000 178.448 0.552 1
1 64 . 4 1 1 A 7 7 PRO CA C 7 65.700 64.767 0.933 1
1 65 . 4 1 1 A 7 7 PRO CB C 7 32.300 32.183 0.117 1
1 68 . 4 1 1 A 8 8 GLU H H 8 9.250 8.493 0.757 1
1 69 . 4 1 1 A 8 8 GLU HA H 8 4.120 4.158 -0.038 1
1 74 . 4 1 1 A 8 8 GLU C C 8 178.100 178.998 -0.898 1
1 75 . 4 1 1 A 8 8 GLU CA C 8 60.000 59.210 0.790 1
1 76 . 4 1 1 A 8 8 GLU CB C 8 29.200 29.335 -0.135 1
1 78 . 4 1 1 A 8 8 GLU N N 8 117.600 118.397 -0.797 1
1 79 . 4 1 1 A 9 9 PHE H H 9 7.640 8.074 -0.434 1
1 80 . 4 1 1 A 9 9 PHE HA H 9 4.130 4.034 0.096 1
1 87 . 4 1 1 A 9 9 PHE C C 9 178.600 177.920 0.680 1
1 88 . 4 1 1 A 9 9 PHE CA C 9 62.200 61.241 0.959 1
1 89 . 4 1 1 A 9 9 PHE CB C 9 40.400 39.255 1.145 1
1 94 . 4 1 1 A 9 9 PHE N N 9 118.200 122.594 -4.394 1
1 95 . 4 1 1 A 10 10 VAL H H 10 8.220 7.809 0.411 1
1 96 . 4 1 1 A 10 10 VAL HA H 10 3.590 3.756 -0.166 1
1 104 . 4 1 1 A 10 10 VAL C C 10 179.400 177.836 1.564 1
1 105 . 4 1 1 A 10 10 VAL CA C 10 66.800 64.405 2.395 1
1 106 . 4 1 1 A 10 10 VAL CB C 10 31.700 31.453 0.247 1
1 109 . 4 1 1 A 10 10 VAL N N 10 120.300 118.825 1.475 1
1 110 . 4 1 1 A 11 11 LYS H H 11 7.760 7.768 -0.008 1
1 111 . 4 1 1 A 11 11 LYS HA H 11 4.050 3.940 0.110 1
1 120 . 4 1 1 A 11 11 LYS C C 11 179.000 179.742 -0.742 1
1 121 . 4 1 1 A 11 11 LYS CA C 11 59.300 60.058 -0.758 1
1 122 . 4 1 1 A 11 11 LYS CB C 11 32.600 32.342 0.258 1
1 126 . 4 1 1 A 11 11 LYS N N 11 119.600 122.716 -3.116 1
1 127 . 4 1 1 A 12 12 LEU H H 12 7.750 8.523 -0.773 1
1 128 . 4 1 1 A 12 12 LEU HA H 12 4.190 4.150 0.040 1
1 138 . 4 1 1 A 12 12 LEU C C 12 178.400 179.336 -0.936 1
1 139 . 4 1 1 A 12 12 LEU CA C 12 57.800 58.111 -0.311 1
1 140 . 4 1 1 A 12 12 LEU CB C 12 41.900 41.230 0.670 1
1 144 . 4 1 1 A 12 12 LEU N N 12 119.900 120.688 -0.788 1
1 145 . 4 1 1 A 13 13 ARG H H 13 7.600 7.746 -0.146 1
1 146 . 4 1 1 A 13 13 ARG HA H 13 3.940 3.992 -0.052 1
1 153 . 4 1 1 A 13 13 ARG C C 13 178.600 179.073 -0.473 1
1 154 . 4 1 1 A 13 13 ARG CA C 13 59.000 59.272 -0.272 1
1 155 . 4 1 1 A 13 13 ARG CB C 13 30.200 29.572 0.628 1
1 158 . 4 1 1 A 13 13 ARG N N 13 115.300 119.352 -4.052 1
1 159 . 4 1 1 A 14 14 GLN H H 14 7.770 7.666 0.104 1
1 160 . 4 1 1 A 14 14 GLN HA H 14 4.130 4.078 0.052 1
1 167 . 4 1 1 A 14 14 GLN C C 14 176.500 178.719 -2.219 1
1 168 . 4 1 1 A 14 14 GLN CA C 14 57.100 58.429 -1.329 1
1 169 . 4 1 1 A 14 14 GLN CB C 14 28.200 29.139 -0.939 1
1 171 . 4 1 1 A 14 14 GLN N N 14 116.400 118.864 -2.464 1
1 173 . 4 1 1 A 15 15 PHE H H 15 8.030 7.713 0.317 1
1 174 . 4 1 1 A 15 15 PHE HA H 15 4.220 4.403 -0.183 1
1 181 . 4 1 1 A 15 15 PHE C C 15 175.200 176.050 -0.850 1
1 182 . 4 1 1 A 15 15 PHE CA C 15 59.100 59.907 -0.807 1
1 183 . 4 1 1 A 15 15 PHE CB C 15 38.800 39.202 -0.402 1
1 188 . 4 1 1 A 15 15 PHE N N 15 116.800 118.310 -1.510 1
1 189 . 4 1 1 A 16 16 LYS H H 16 7.470 8.328 -0.858 1
1 190 . 4 1 1 A 16 16 LYS HA H 16 4.190 3.985 0.205 1
1 191 . 4 1 1 A 16 16 LYS CA C 16 58.400 58.753 -0.353 1
1 192 . 4 1 1 A 16 16 LYS CB C 16 33.300 31.012 2.288 1
1 193 . 4 1 1 A 16 16 LYS N N 16 122.500 116.753 5.747 1
1 194 . 4 1 1 A 17 17 GLY HA2 H 17 3.920 3.660 0.260 1
1 195 . 4 1 1 A 17 17 GLY HA3 H 17 4.210 3.884 0.326 1
1 196 . 4 1 1 A 17 17 GLY C C 17 174.300 175.030 -0.730 1
1 197 . 4 1 1 A 17 17 GLY CA C 17 46.200 45.825 0.375 1
1 198 . 4 1 1 A 18 18 LYS H H 18 8.230 7.878 0.352 1
1 199 . 4 1 1 A 18 18 LYS HA H 18 4.550 3.860 0.690 1
1 208 . 4 1 1 A 18 18 LYS C C 18 175.800 174.768 1.032 1
1 209 . 4 1 1 A 18 18 LYS CA C 18 56.100 57.638 -1.538 1
1 210 . 4 1 1 A 18 18 LYS CB C 18 33.700 30.071 3.629 1
1 214 . 4 1 1 A 18 18 LYS N N 18 118.100 115.108 2.992 1
1 215 . 4 1 1 A 19 19 VAL H H 19 7.150 7.436 -0.286 1
1 216 . 4 1 1 A 19 19 VAL HA H 19 4.400 4.776 -0.376 1
1 224 . 4 1 1 A 19 19 VAL CA C 19 58.800 58.246 0.554 1
1 225 . 4 1 1 A 19 19 VAL CB C 19 34.300 34.968 -0.668 1
1 228 . 4 1 1 A 19 19 VAL N N 19 111.100 115.767 -4.667 1
1 229 . 4 1 1 A 20 20 ASN HA H 20 4.660 4.768 -0.108 1
1 234 . 4 1 1 A 20 20 ASN C C 20 174.600 176.711 -2.111 1
1 235 . 4 1 1 A 20 20 ASN CA C 20 52.700 54.020 -1.320 1
1 236 . 4 1 1 A 20 20 ASN CB C 20 37.900 38.600 -0.700 1
1 238 . 4 1 1 A 21 21 PHE H H 21 8.580 9.108 -0.528 1
1 239 . 4 1 1 A 21 21 PHE HA H 21 3.730 3.952 -0.222 1
1 247 . 4 1 1 A 21 21 PHE C C 21 175.300 177.297 -1.997 1
1 248 . 4 1 1 A 21 21 PHE CA C 21 62.500 62.341 0.159 1
1 249 . 4 1 1 A 21 21 PHE CB C 21 40.400 39.644 0.756 1
1 255 . 4 1 1 A 21 21 PHE N N 21 128.200 125.362 2.838 1
1 256 . 4 1 1 A 22 22 ASN H H 22 8.220 8.355 -0.135 1
1 257 . 4 1 1 A 22 22 ASN HA H 22 4.300 4.418 -0.118 1
1 262 . 4 1 1 A 22 22 ASN C C 22 177.800 177.661 0.139 1
1 263 . 4 1 1 A 22 22 ASN CA C 22 56.400 56.673 -0.273 1
1 264 . 4 1 1 A 22 22 ASN CB C 22 37.900 39.782 -1.882 1
1 265 . 4 1 1 A 22 22 ASN N N 22 114.600 117.234 -2.634 1
1 267 . 4 1 1 A 23 23 LEU H H 23 7.440 7.699 -0.259 1
1 268 . 4 1 1 A 23 23 LEU HA H 23 4.190 4.057 0.133 1
1 278 . 4 1 1 A 23 23 LEU C C 23 177.800 178.483 -0.683 1
1 279 . 4 1 1 A 23 23 LEU CA C 23 56.900 57.782 -0.882 1
1 280 . 4 1 1 A 23 23 LEU CB C 23 41.400 41.648 -0.248 1
1 284 . 4 1 1 A 23 23 LEU N N 23 122.500 119.868 2.632 1
1 285 . 4 1 1 A 24 24 VAL H H 24 7.930 8.362 -0.432 1
1 286 . 4 1 1 A 24 24 VAL HA H 24 3.560 3.519 0.041 1
1 294 . 4 1 1 A 24 24 VAL C C 24 177.500 177.658 -0.158 1
1 295 . 4 1 1 A 24 24 VAL CA C 24 67.200 67.088 0.112 1
1 296 . 4 1 1 A 24 24 VAL CB C 24 31.000 31.298 -0.298 1
1 299 . 4 1 1 A 24 24 VAL N N 24 119.400 119.122 0.278 1
1 300 . 4 1 1 A 25 25 MET H H 25 8.020 8.434 -0.414 1
1 301 . 4 1 1 A 25 25 MET HA H 25 3.640 3.968 -0.328 1
1 309 . 4 1 1 A 25 25 MET C C 25 176.800 178.205 -1.405 1
1 310 . 4 1 1 A 25 25 MET CA C 25 60.000 58.202 1.798 1
1 311 . 4 1 1 A 25 25 MET CB C 25 32.900 31.561 1.339 1
1 314 . 4 1 1 A 25 25 MET N N 25 116.600 119.998 -3.398 1
1 315 . 4 1 1 A 26 26 GLN H H 26 7.530 7.710 -0.180 1
1 316 . 4 1 1 A 26 26 GLN HA H 26 4.050 4.112 -0.062 1
1 323 . 4 1 1 A 26 26 GLN C C 26 177.800 178.425 -0.625 1
1 324 . 4 1 1 A 26 26 GLN CA C 26 59.100 58.813 0.287 1
1 325 . 4 1 1 A 26 26 GLN CB C 26 28.100 28.437 -0.337 1
1 327 . 4 1 1 A 26 26 GLN N N 26 118.200 118.574 -0.374 1
1 329 . 4 1 1 A 27 27 ILE H H 27 8.230 8.402 -0.172 1
1 330 . 4 1 1 A 27 27 ILE HA H 27 3.350 3.519 -0.169 1
1 340 . 4 1 1 A 27 27 ILE C C 27 177.700 178.257 -0.557 1
1 341 . 4 1 1 A 27 27 ILE CA C 27 65.900 65.875 0.025 1
1 342 . 4 1 1 A 27 27 ILE CB C 27 37.900 38.096 -0.196 1
1 346 . 4 1 1 A 27 27 ILE N N 27 120.700 120.418 0.282 1
1 347 . 4 1 1 A 28 28 LEU H H 28 8.550 8.601 -0.051 1
1 348 . 4 1 1 A 28 28 LEU HA H 28 4.020 4.018 0.002 1
1 358 . 4 1 1 A 28 28 LEU C C 28 179.900 179.383 0.517 1
1 359 . 4 1 1 A 28 28 LEU CA C 28 58.400 58.104 0.296 1
1 360 . 4 1 1 A 28 28 LEU CB C 28 39.700 40.438 -0.738 1
1 364 . 4 1 1 A 28 28 LEU N N 28 118.900 118.342 0.558 1
1 365 . 4 1 1 A 29 29 ASP H H 29 8.470 8.047 0.423 1
1 366 . 4 1 1 A 29 29 ASP HA H 29 4.440 4.282 0.158 1
1 369 . 4 1 1 A 29 29 ASP C C 29 179.600 178.618 0.982 1
1 370 . 4 1 1 A 29 29 ASP CA C 29 57.400 57.705 -0.305 1
1 371 . 4 1 1 A 29 29 ASP CB C 29 40.400 41.338 -0.938 1
1 372 . 4 1 1 A 29 29 ASP N N 29 120.700 119.524 1.176 1
1 373 . 4 1 1 A 30 30 GLU H H 30 8.630 8.619 0.011 1
1 374 . 4 1 1 A 30 30 GLU HA H 30 3.980 4.136 -0.156 1
1 379 . 4 1 1 A 30 30 GLU C C 30 180.600 178.749 1.851 1
1 380 . 4 1 1 A 30 30 GLU CA C 30 60.000 59.068 0.932 1
1 381 . 4 1 1 A 30 30 GLU CB C 30 29.900 29.645 0.255 1
1 383 . 4 1 1 A 30 30 GLU N N 30 120.800 119.190 1.610 1
1 384 . 4 1 1 A 31 31 ILE H H 31 8.520 7.763 0.757 1
1 385 . 4 1 1 A 31 31 ILE HA H 31 3.540 3.876 -0.336 1
1 395 . 4 1 1 A 31 31 ILE C C 31 176.400 178.024 -1.624 1
1 396 . 4 1 1 A 31 31 ILE CA C 31 66.600 63.888 2.712 1
1 397 . 4 1 1 A 31 31 ILE CB C 31 37.800 37.460 0.340 1
1 401 . 4 1 1 A 31 31 ILE N N 31 123.100 120.041 3.059 1
1 402 . 4 1 1 A 32 32 GLU H H 32 8.070 8.054 0.016 1
1 403 . 4 1 1 A 32 32 GLU HA H 32 3.730 4.018 -0.288 1
1 408 . 4 1 1 A 32 32 GLU C C 32 178.400 179.188 -0.788 1
1 409 . 4 1 1 A 32 32 GLU CA C 32 60.800 59.157 1.643 1
1 410 . 4 1 1 A 32 32 GLU CB C 32 28.800 29.547 -0.747 1
1 412 . 4 1 1 A 32 32 GLU N N 32 120.300 121.276 -0.976 1
1 413 . 4 1 1 A 33 33 LEU H H 33 8.160 8.234 -0.074 1
1 414 . 4 1 1 A 33 33 LEU HA H 33 3.980 3.959 0.021 1
1 424 . 4 1 1 A 33 33 LEU C C 33 180.100 178.341 1.759 1
1 425 . 4 1 1 A 33 33 LEU CA C 33 58.000 58.006 -0.006 1
1 426 . 4 1 1 A 33 33 LEU CB C 33 42.100 41.126 0.974 1
1 430 . 4 1 1 A 33 33 LEU N N 33 117.900 119.659 -1.759 1
1 431 . 4 1 1 A 34 34 ASP H H 34 8.200 7.907 0.293 1
1 432 . 4 1 1 A 34 34 ASP HA H 34 4.290 4.341 -0.051 1
1 435 . 4 1 1 A 34 34 ASP C C 34 178.600 178.415 0.185 1
1 436 . 4 1 1 A 34 34 ASP CA C 34 58.200 57.545 0.655 1
1 437 . 4 1 1 A 34 34 ASP CB C 34 42.800 41.115 1.685 1
1 438 . 4 1 1 A 34 34 ASP N N 34 120.500 119.920 0.580 1
1 439 . 4 1 1 A 35 35 LEU H H 35 8.630 8.269 0.361 1
1 440 . 4 1 1 A 35 35 LEU HA H 35 4.360 4.049 0.311 1
1 450 . 4 1 1 A 35 35 LEU C C 35 179.000 177.042 1.958 1
1 451 . 4 1 1 A 35 35 LEU CA C 35 56.400 57.341 -0.941 1
1 452 . 4 1 1 A 35 35 LEU CB C 35 42.800 41.322 1.478 1
1 456 . 4 1 1 A 35 35 LEU N N 35 121.300 120.170 1.130 1
1 457 . 4 1 1 A 36 36 ARG H H 36 7.410 7.354 0.056 1
1 458 . 4 1 1 A 36 36 ARG HA H 36 4.050 4.134 -0.084 1
1 465 . 4 1 1 A 36 36 ARG C C 36 177.800 176.745 1.055 1
1 466 . 4 1 1 A 36 36 ARG CA C 36 59.000 57.594 1.406 1
1 467 . 4 1 1 A 36 36 ARG CB C 36 30.000 29.768 0.232 1
1 470 . 4 1 1 A 36 36 ARG N N 36 117.000 117.620 -0.620 1
1 471 . 4 1 1 A 37 37 GLY H H 37 7.580 7.965 -0.385 1
1 472 . 4 1 1 A 37 37 GLY HA2 H 37 3.830 4.223 -0.393 1
1 473 . 4 1 1 A 37 37 GLY HA3 H 37 4.280 4.227 0.053 1
1 474 . 4 1 1 A 37 37 GLY C C 37 174.800 171.806 2.994 1
1 475 . 4 1 1 A 37 37 GLY CA C 37 45.200 45.781 -0.581 1
1 476 . 4 1 1 A 37 37 GLY N N 37 103.600 112.037 -8.437 1
1 477 . 4 1 1 A 38 38 SER H H 38 8.380 8.346 0.034 1
1 478 . 4 1 1 A 38 38 SER HA H 38 4.330 4.963 -0.633 1
1 481 . 4 1 1 A 38 38 SER C C 38 175.100 172.311 2.789 1
1 482 . 4 1 1 A 38 38 SER CA C 38 58.700 58.077 0.623 1
1 483 . 4 1 1 A 38 38 SER CB C 38 63.800 65.672 -1.872 1
1 484 . 4 1 1 A 38 38 SER N N 38 117.800 114.399 3.401 1
1 485 . 4 1 1 A 39 39 ASP H H 39 8.520 8.896 -0.376 1
1 486 . 4 1 1 A 39 39 ASP HA H 39 4.470 4.833 -0.363 1
1 489 . 4 1 1 A 39 39 ASP C C 39 175.300 174.933 0.367 1
1 490 . 4 1 1 A 39 39 ASP CA C 39 55.400 55.599 -0.199 1
1 491 . 4 1 1 A 39 39 ASP CB C 39 41.500 42.340 -0.840 1
1 492 . 4 1 1 A 39 39 ASP N N 39 120.500 122.306 -1.806 1
1 493 . 4 1 1 A 40 40 ASN H H 40 8.230 7.796 0.434 1
1 494 . 4 1 1 A 40 40 ASN HA H 40 4.800 4.953 -0.153 1
1 499 . 4 1 1 A 40 40 ASN C C 40 174.600 174.903 -0.303 1
1 500 . 4 1 1 A 40 40 ASN CA C 40 52.900 52.931 -0.031 1
1 501 . 4 1 1 A 40 40 ASN CB C 40 39.500 42.282 -2.782 1
1 502 . 4 1 1 A 40 40 ASN N N 40 116.100 115.483 0.617 1
1 504 . 4 1 1 A 41 41 ILE H H 41 8.340 8.471 -0.131 1
1 505 . 4 1 1 A 41 41 ILE HA H 41 3.840 3.769 0.071 1
1 515 . 4 1 1 A 41 41 ILE C C 41 175.000 177.763 -2.763 1
1 516 . 4 1 1 A 41 41 ILE CA C 41 62.500 63.373 -0.873 1
1 517 . 4 1 1 A 41 41 ILE CB C 41 37.600 37.704 -0.104 1
1 521 . 4 1 1 A 41 41 ILE N N 41 124.800 125.461 -0.661 1
1 522 . 4 1 1 A 42 42 LYS H H 42 7.790 7.970 -0.180 1
1 523 . 4 1 1 A 42 42 LYS HA H 42 3.780 3.887 -0.107 1
1 532 . 4 1 1 A 42 42 LYS C C 42 178.300 179.177 -0.877 1
1 533 . 4 1 1 A 42 42 LYS CA C 42 60.200 59.253 0.947 1
1 534 . 4 1 1 A 42 42 LYS CB C 42 31.800 32.203 -0.403 1
1 538 . 4 1 1 A 42 42 LYS N N 42 122.100 122.489 -0.389 1
1 539 . 4 1 1 A 43 43 THR H H 43 7.500 8.173 -0.673 1
1 540 . 4 1 1 A 43 43 THR HA H 43 3.790 3.695 0.095 1
1 545 . 4 1 1 A 43 43 THR C C 43 177.100 176.635 0.465 1
1 546 . 4 1 1 A 43 43 THR CA C 43 65.900 66.183 -0.283 1
1 547 . 4 1 1 A 43 43 THR CB C 43 68.400 68.585 -0.185 1
1 549 . 4 1 1 A 43 43 THR N N 43 112.900 116.495 -3.595 1
1 550 . 4 1 1 A 44 44 SER H H 44 7.860 7.834 0.026 1
1 551 . 4 1 1 A 44 44 SER HA H 44 4.570 4.428 0.142 1
1 554 . 4 1 1 A 44 44 SER C C 44 175.100 176.016 -0.916 1
1 555 . 4 1 1 A 44 44 SER CA C 44 63.600 62.439 1.161 1
1 556 . 4 1 1 A 44 44 SER CB C 44 63.900 62.935 0.965 1
1 557 . 4 1 1 A 44 44 SER N N 44 119.700 117.190 2.510 1
1 558 . 4 1 1 A 45 45 ILE H H 45 8.240 8.016 0.224 1
1 559 . 4 1 1 A 45 45 ILE HA H 45 3.140 3.496 -0.356 1
1 569 . 4 1 1 A 45 45 ILE C C 45 176.500 178.095 -1.595 1
1 570 . 4 1 1 A 45 45 ILE CA C 45 66.200 64.426 1.774 1
1 571 . 4 1 1 A 45 45 ILE CB C 45 37.800 37.592 0.208 1
1 575 . 4 1 1 A 45 45 ILE N N 45 121.300 120.694 0.606 1
1 576 . 4 1 1 A 46 46 ILE H H 46 7.680 7.723 -0.043 1
1 577 . 4 1 1 A 46 46 ILE HA H 46 3.480 3.456 0.024 1
1 587 . 4 1 1 A 46 46 ILE C C 46 178.900 177.749 1.151 1
1 588 . 4 1 1 A 46 46 ILE CA C 46 65.300 65.112 0.188 1
1 589 . 4 1 1 A 46 46 ILE CB C 46 37.800 37.443 0.357 1
1 593 . 4 1 1 A 46 46 ILE N N 46 117.100 120.421 -3.321 1
1 594 . 4 1 1 A 47 47 TYR H H 47 8.400 7.544 0.856 1
1 595 . 4 1 1 A 47 47 TYR HA H 47 4.190 4.393 -0.203 1
1 602 . 4 1 1 A 47 47 TYR C C 47 178.700 178.443 0.257 1
1 603 . 4 1 1 A 47 47 TYR CA C 47 61.300 61.122 0.178 1
1 604 . 4 1 1 A 47 47 TYR CB C 47 38.400 38.258 0.142 1
1 609 . 4 1 1 A 47 47 TYR N N 47 120.900 119.923 0.977 1
1 610 . 4 1 1 A 48 48 VAL H H 48 8.480 8.081 0.399 1
1 611 . 4 1 1 A 48 48 VAL HA H 48 3.560 3.987 -0.427 1
1 619 . 4 1 1 A 48 48 VAL C C 48 179.600 177.848 1.752 1
1 620 . 4 1 1 A 48 48 VAL CA C 48 67.000 66.472 0.528 1
1 621 . 4 1 1 A 48 48 VAL CB C 48 31.700 31.836 -0.136 1
1 624 . 4 1 1 A 48 48 VAL N N 48 121.600 119.619 1.981 1
1 625 . 4 1 1 A 49 49 TYR H H 49 9.630 8.402 1.228 1
1 626 . 4 1 1 A 49 49 TYR HA H 49 4.080 4.258 -0.178 1
1 633 . 4 1 1 A 49 49 TYR C C 49 179.300 178.607 0.693 1
1 634 . 4 1 1 A 49 49 TYR CA C 49 59.900 60.244 -0.344 1
1 635 . 4 1 1 A 49 49 TYR CB C 49 35.300 37.387 -2.087 1
1 640 . 4 1 1 A 49 49 TYR N N 49 122.000 119.502 2.498 1
1 641 . 4 1 1 A 50 50 SER H H 50 8.120 8.390 -0.270 1
1 642 . 4 1 1 A 50 50 SER HA H 50 4.130 4.308 -0.178 1
1 645 . 4 1 1 A 50 50 SER C C 50 175.700 175.582 0.118 1
1 646 . 4 1 1 A 50 50 SER CA C 50 62.000 61.862 0.138 1
1 647 . 4 1 1 A 50 50 SER CB C 50 62.900 63.203 -0.303 1
1 648 . 4 1 1 A 50 50 SER N N 50 112.600 116.149 -3.549 1
1 649 . 4 1 1 A 51 51 SER H H 51 7.510 7.821 -0.311 1
1 650 . 4 1 1 A 51 51 SER HA H 51 4.350 4.182 0.168 1
1 653 . 4 1 1 A 51 51 SER C C 51 173.600 175.254 -1.654 1
1 654 . 4 1 1 A 51 51 SER CA C 51 59.500 61.139 -1.639 1
1 655 . 4 1 1 A 51 51 SER CB C 51 63.300 63.299 0.001 1
1 656 . 4 1 1 A 51 51 SER N N 51 116.800 116.277 0.523 1
1 657 . 4 1 1 A 52 52 HIS H H 52 7.590 7.955 -0.365 1
1 658 . 4 1 1 A 52 52 HIS HA H 52 4.890 4.980 -0.090 1
1 663 . 4 1 1 A 52 52 HIS C C 52 175.200 175.529 -0.329 1
1 664 . 4 1 1 A 52 52 HIS CA C 52 54.100 54.867 -0.767 1
1 665 . 4 1 1 A 52 52 HIS CB C 52 29.500 29.337 0.163 1
1 668 . 4 1 1 A 52 52 HIS N N 52 120.500 116.584 3.916 1
1 669 . 4 1 1 A 53 53 LEU H H 53 7.440 7.770 -0.330 1
1 670 . 4 1 1 A 53 53 LEU HA H 53 3.870 3.705 0.165 1
1 680 . 4 1 1 A 53 53 LEU C C 53 177.900 178.394 -0.494 1
1 681 . 4 1 1 A 53 53 LEU CA C 53 59.100 57.988 1.112 1
1 682 . 4 1 1 A 53 53 LEU CB C 53 42.300 41.217 1.083 1
1 686 . 4 1 1 A 53 53 LEU N N 53 121.400 120.978 0.422 1
1 687 . 4 1 1 A 54 54 ASP H H 54 8.400 8.096 0.304 1
1 688 . 4 1 1 A 54 54 ASP HA H 54 4.290 4.228 0.062 1
1 691 . 4 1 1 A 54 54 ASP C C 54 177.900 178.974 -1.074 1
1 692 . 4 1 1 A 54 54 ASP CA C 54 57.600 57.586 0.014 1
1 693 . 4 1 1 A 54 54 ASP CB C 54 40.200 42.139 -1.939 1
1 694 . 4 1 1 A 54 54 ASP N N 54 115.900 119.657 -3.757 1
1 695 . 4 1 1 A 55 55 GLU H H 55 7.500 7.627 -0.127 1
1 696 . 4 1 1 A 55 55 GLU HA H 55 4.310 4.200 0.110 1
1 701 . 4 1 1 A 55 55 GLU C C 55 178.300 179.001 -0.701 1
1 702 . 4 1 1 A 55 55 GLU CA C 55 57.800 58.670 -0.870 1
1 703 . 4 1 1 A 55 55 GLU CB C 55 29.100 29.356 -0.256 1
1 705 . 4 1 1 A 55 55 GLU N N 55 120.100 118.810 1.290 1
1 706 . 4 1 1 A 56 56 ILE H H 56 7.720 7.590 0.130 1
1 707 . 4 1 1 A 56 56 ILE HA H 56 3.440 2.816 0.624 1
1 717 . 4 1 1 A 56 56 ILE C C 56 178.600 177.961 0.639 1
1 718 . 4 1 1 A 56 56 ILE CA C 56 62.500 64.771 -2.271 1
1 719 . 4 1 1 A 56 56 ILE CB C 56 36.200 37.506 -1.306 1
1 723 . 4 1 1 A 56 56 ILE N N 56 119.600 120.170 -0.570 1
1 724 . 4 1 1 A 57 57 ARG H H 57 8.200 8.623 -0.423 1
1 725 . 4 1 1 A 57 57 ARG HA H 57 3.930 4.015 -0.085 1
1 732 . 4 1 1 A 57 57 ARG C C 57 178.800 177.983 0.817 1
1 733 . 4 1 1 A 57 57 ARG CA C 57 59.000 58.896 0.104 1
1 734 . 4 1 1 A 57 57 ARG CB C 57 30.100 29.843 0.257 1
1 737 . 4 1 1 A 57 57 ARG N N 57 115.500 120.519 -5.019 1
1 738 . 4 1 1 A 58 58 LYS H H 58 7.400 7.520 -0.120 1
1 739 . 4 1 1 A 58 58 LYS HA H 58 4.210 4.167 0.043 1
1 748 . 4 1 1 A 58 58 LYS C C 58 176.800 177.076 -0.276 1
1 749 . 4 1 1 A 58 58 LYS CA C 58 58.100 58.570 -0.470 1
1 750 . 4 1 1 A 58 58 LYS CB C 58 33.100 32.355 0.745 1
1 754 . 4 1 1 A 58 58 LYS N N 58 117.400 117.686 -0.286 1
1 755 . 4 1 1 A 59 59 ASN H H 59 7.630 7.500 0.130 1
1 756 . 4 1 1 A 59 59 ASN HA H 59 5.310 5.108 0.202 1
1 761 . 4 1 1 A 59 59 ASN C C 59 174.900 175.047 -0.147 1
1 762 . 4 1 1 A 59 59 ASN CA C 59 52.100 52.384 -0.284 1
1 763 . 4 1 1 A 59 59 ASN CB C 59 40.200 39.221 0.979 1
1 764 . 4 1 1 A 59 59 ASN N N 59 119.200 115.511 3.689 1
1 766 . 4 1 1 A 60 60 LYS H H 60 7.460 8.203 -0.743 1
1 767 . 4 1 1 A 60 60 LYS HA H 60 4.070 4.264 -0.194 1
1 776 . 4 1 1 A 60 60 LYS C C 60 177.900 178.332 -0.432 1
1 777 . 4 1 1 A 60 60 LYS CA C 60 61.100 59.382 1.718 1
1 778 . 4 1 1 A 60 60 LYS CB C 60 33.300 31.994 1.306 1
1 782 . 4 1 1 A 60 60 LYS N N 60 122.700 118.710 3.990 1
1 783 . 4 1 1 A 61 61 GLU H H 61 8.660 7.974 0.686 1
1 784 . 4 1 1 A 61 61 GLU HA H 61 4.080 4.002 0.078 1
1 789 . 4 1 1 A 61 61 GLU C C 61 178.900 178.899 0.001 1
1 790 . 4 1 1 A 61 61 GLU CA C 61 60.100 59.142 0.958 1
1 791 . 4 1 1 A 61 61 GLU CB C 61 29.100 29.243 -0.143 1
1 793 . 4 1 1 A 61 61 GLU N N 61 117.300 119.737 -2.437 1
1 794 . 4 1 1 A 62 62 PHE H H 62 7.670 7.906 -0.236 1
1 795 . 4 1 1 A 62 62 PHE HA H 62 3.420 3.964 -0.544 1
1 803 . 4 1 1 A 62 62 PHE C C 62 176.200 176.960 -0.760 1
1 804 . 4 1 1 A 62 62 PHE CA C 62 60.900 61.038 -0.138 1
1 805 . 4 1 1 A 62 62 PHE CB C 62 38.300 38.761 -0.461 1
1 811 . 4 1 1 A 62 62 PHE N N 62 119.300 121.043 -1.743 1
1 812 . 4 1 1 A 63 63 TYR H H 63 7.850 8.391 -0.541 1
1 813 . 4 1 1 A 63 63 TYR HA H 63 3.870 4.159 -0.289 1
1 820 . 4 1 1 A 63 63 TYR C C 63 180.200 177.703 2.497 1
1 821 . 4 1 1 A 63 63 TYR CA C 63 63.500 61.626 1.874 1
1 822 . 4 1 1 A 63 63 TYR CB C 63 37.100 37.238 -0.138 1
1 827 . 4 1 1 A 63 63 TYR N N 63 116.500 117.275 -0.775 1
1 828 . 4 1 1 A 64 64 ASP H H 64 9.110 8.477 0.633 1
1 829 . 4 1 1 A 64 64 ASP HA H 64 4.650 4.445 0.205 1
1 832 . 4 1 1 A 64 64 ASP C C 64 178.700 178.448 0.252 1
1 833 . 4 1 1 A 64 64 ASP CA C 64 57.600 57.453 0.147 1
1 834 . 4 1 1 A 64 64 ASP CB C 64 39.800 41.080 -1.280 1
1 835 . 4 1 1 A 64 64 ASP N N 64 126.100 121.514 4.586 1
1 836 . 4 1 1 A 65 65 MET H H 65 7.600 8.246 -0.646 1
1 837 . 4 1 1 A 65 65 MET HA H 65 4.140 4.116 0.024 1
1 845 . 4 1 1 A 65 65 MET C C 65 178.800 178.132 0.668 1
1 846 . 4 1 1 A 65 65 MET CA C 65 59.300 58.667 0.633 1
1 847 . 4 1 1 A 65 65 MET CB C 65 32.800 32.787 0.013 1
1 850 . 4 1 1 A 65 65 MET N N 65 121.100 117.664 3.436 1
1 851 . 4 1 1 A 66 66 ILE H H 66 7.910 7.923 -0.013 1
1 852 . 4 1 1 A 66 66 ILE HA H 66 3.430 3.758 -0.328 1
1 862 . 4 1 1 A 66 66 ILE C C 66 177.000 177.960 -0.960 1
1 863 . 4 1 1 A 66 66 ILE CA C 66 64.500 64.145 0.355 1
1 864 . 4 1 1 A 66 66 ILE CB C 66 36.700 37.334 -0.634 1
1 868 . 4 1 1 A 66 66 ILE N N 66 116.900 116.271 0.629 1
1 869 . 4 1 1 A 67 67 ALA H H 67 7.660 8.267 -0.607 1
1 870 . 4 1 1 A 67 67 ALA HA H 67 3.940 3.968 -0.028 1
1 874 . 4 1 1 A 67 67 ALA C C 67 180.200 179.139 1.061 1
1 875 . 4 1 1 A 67 67 ALA CA C 67 55.600 55.814 -0.214 1
1 876 . 4 1 1 A 67 67 ALA CB C 67 18.000 18.343 -0.343 1
1 877 . 4 1 1 A 67 67 ALA N N 67 120.700 123.215 -2.515 1
1 878 . 4 1 1 A 68 68 GLU H H 68 7.660 8.033 -0.373 1
1 879 . 4 1 1 A 68 68 GLU HA H 68 4.040 4.022 0.018 1
1 884 . 4 1 1 A 68 68 GLU C C 68 179.000 178.811 0.189 1
1 885 . 4 1 1 A 68 68 GLU CA C 68 59.300 59.558 -0.258 1
1 886 . 4 1 1 A 68 68 GLU CB C 68 29.500 29.667 -0.167 1
1 888 . 4 1 1 A 68 68 GLU N N 68 118.700 118.535 0.165 1
1 889 . 4 1 1 A 69 69 ILE H H 69 8.240 8.191 0.049 1
1 890 . 4 1 1 A 69 69 ILE HA H 69 3.630 3.822 -0.192 1
1 900 . 4 1 1 A 69 69 ILE C C 69 178.200 178.440 -0.240 1
1 901 . 4 1 1 A 69 69 ILE CA C 69 65.700 65.799 -0.099 1
1 902 . 4 1 1 A 69 69 ILE CB C 69 38.100 38.030 0.070 1
1 906 . 4 1 1 A 69 69 ILE N N 69 120.700 119.273 1.427 1
1 907 . 4 1 1 A 70 70 LEU H H 70 8.770 8.901 -0.131 1
1 908 . 4 1 1 A 70 70 LEU HA H 70 3.960 3.897 0.063 1
1 918 . 4 1 1 A 70 70 LEU C C 70 179.300 179.459 -0.159 1
1 919 . 4 1 1 A 70 70 LEU CA C 70 59.100 58.353 0.747 1
1 920 . 4 1 1 A 70 70 LEU CB C 70 43.000 41.669 1.331 1
1 924 . 4 1 1 A 70 70 LEU N N 70 119.100 120.664 -1.564 1
1 925 . 4 1 1 A 71 71 GLN H H 71 7.660 7.813 -0.153 1
1 926 . 4 1 1 A 71 71 GLN HA H 71 3.960 4.074 -0.114 1
1 933 . 4 1 1 A 71 71 GLN C C 71 177.700 178.996 -1.296 1
1 934 . 4 1 1 A 71 71 GLN CA C 71 59.800 59.181 0.619 1
1 935 . 4 1 1 A 71 71 GLN CB C 71 30.000 28.549 1.451 1
1 937 . 4 1 1 A 71 71 GLN N N 71 114.200 118.114 -3.914 1
1 939 . 4 1 1 A 72 72 ARG H H 72 8.180 8.268 -0.088 1
1 940 . 4 1 1 A 72 72 ARG HA H 72 4.000 3.999 0.001 1
1 947 . 4 1 1 A 72 72 ARG C C 72 178.900 177.819 1.081 1
1 948 . 4 1 1 A 72 72 ARG CA C 72 58.900 58.909 -0.009 1
1 949 . 4 1 1 A 72 72 ARG CB C 72 31.100 29.648 1.452 1
1 952 . 4 1 1 A 72 72 ARG N N 72 118.300 120.377 -2.077 1
1 953 . 4 1 1 A 73 73 TYR H H 73 7.970 8.225 -0.255 1
1 954 . 4 1 1 A 73 73 TYR HA H 73 4.800 4.389 0.411 1
1 961 . 4 1 1 A 73 73 TYR C C 73 178.000 177.438 0.562 1
1 962 . 4 1 1 A 73 73 TYR CA C 73 60.100 59.463 0.637 1
1 963 . 4 1 1 A 73 73 TYR CB C 73 41.200 39.265 1.935 1
1 968 . 4 1 1 A 73 73 TYR N N 73 111.500 117.776 -6.276 1
1 969 . 4 1 1 A 74 74 TYR H H 74 8.750 8.225 0.525 1
1 970 . 4 1 1 A 74 74 TYR HA H 74 4.080 4.207 -0.127 1
1 977 . 4 1 1 A 74 74 TYR C C 74 176.600 177.430 -0.830 1
1 978 . 4 1 1 A 74 74 TYR CA C 74 62.400 61.085 1.315 1
1 979 . 4 1 1 A 74 74 TYR CB C 74 36.100 38.730 -2.630 1
1 984 . 4 1 1 A 74 74 TYR N N 74 121.500 120.596 0.904 1
1 985 . 4 1 1 A 75 75 LYS H H 75 7.760 7.493 0.267 1
1 986 . 4 1 1 A 75 75 LYS HA H 75 3.710 3.767 -0.057 1
1 995 . 4 1 1 A 75 75 LYS C C 75 177.500 178.624 -1.124 1
1 996 . 4 1 1 A 75 75 LYS CA C 75 57.600 58.486 -0.886 1
1 997 . 4 1 1 A 75 75 LYS CB C 75 31.800 32.298 -0.498 1
1 1001 . 4 1 1 A 75 75 LYS N N 75 120.300 118.264 2.036 1
1 1002 . 4 1 1 A 76 76 LYS H H 76 7.510 7.813 -0.303 1
1 1003 . 4 1 1 A 76 76 LYS HA H 76 4.230 4.032 0.198 1
1 1012 . 4 1 1 A 76 76 LYS C C 76 177.900 177.845 0.055 1
1 1013 . 4 1 1 A 76 76 LYS CA C 76 58.300 58.763 -0.463 1
1 1014 . 4 1 1 A 76 76 LYS CB C 76 33.700 33.064 0.636 1
1 1018 . 4 1 1 A 76 76 LYS N N 76 118.000 119.302 -1.302 1
1 1019 . 4 1 1 A 77 77 ILE H H 77 7.610 8.413 -0.803 1
1 1020 . 4 1 1 A 77 77 ILE HA H 77 4.670 4.444 0.226 1
1 1030 . 4 1 1 A 77 77 ILE C C 77 176.000 175.972 0.028 1
1 1031 . 4 1 1 A 77 77 ILE CA C 77 60.600 61.054 -0.454 1
1 1032 . 4 1 1 A 77 77 ILE CB C 77 39.700 40.231 -0.531 1
1 1036 . 4 1 1 A 77 77 ILE N N 77 108.200 111.590 -3.390 1
1 1037 . 4 1 1 A 78 78 GLY H H 78 7.390 7.599 -0.209 1
1 1038 . 4 1 1 A 78 78 GLY HA2 H 78 4.730 4.111 0.619 1
1 1039 . 4 1 1 A 78 78 GLY HA3 H 78 3.970 4.114 -0.144 1
1 1040 . 4 1 1 A 78 78 GLY C C 78 175.800 174.984 0.816 1
1 1041 . 4 1 1 A 78 78 GLY CA C 78 44.900 44.522 0.378 1
1 1042 . 4 1 1 A 78 78 GLY N N 78 112.200 109.829 2.371 1
1 1043 . 4 1 1 A 79 79 ILE H H 79 9.030 8.908 0.122 1
1 1044 . 4 1 1 A 79 79 ILE HA H 79 4.080 4.022 0.058 1
1 1054 . 4 1 1 A 79 79 ILE C C 79 174.700 177.947 -3.247 1
1 1055 . 4 1 1 A 79 79 ILE CA C 79 62.900 63.232 -0.332 1
1 1056 . 4 1 1 A 79 79 ILE CB C 79 38.600 37.953 0.647 1
1 1060 . 4 1 1 A 79 79 ILE N N 79 125.700 122.063 3.637 1
1 1061 . 4 1 1 A 80 80 GLU H H 80 9.480 8.512 0.968 1
1 1062 . 4 1 1 A 80 80 GLU HA H 80 4.070 4.078 -0.008 1
1 1067 . 4 1 1 A 80 80 GLU C C 80 179.200 179.699 -0.499 1
1 1068 . 4 1 1 A 80 80 GLU CA C 80 59.700 59.948 -0.248 1
1 1069 . 4 1 1 A 80 80 GLU CB C 80 28.100 29.360 -1.260 1
1 1071 . 4 1 1 A 80 80 GLU N N 80 122.400 121.829 0.571 1
1 1072 . 4 1 1 A 81 81 ASN H H 81 7.570 8.116 -0.546 1
1 1073 . 4 1 1 A 81 81 ASN HA H 81 4.580 4.548 0.032 1
1 1078 . 4 1 1 A 81 81 ASN C C 81 177.600 178.048 -0.448 1
1 1079 . 4 1 1 A 81 81 ASN CA C 81 55.600 56.329 -0.729 1
1 1080 . 4 1 1 A 81 81 ASN CB C 81 37.900 38.763 -0.863 1
1 1081 . 4 1 1 A 81 81 ASN N N 81 117.000 117.724 -0.724 1
1 1083 . 4 1 1 A 82 82 VAL H H 82 8.180 8.063 0.117 1
1 1084 . 4 1 1 A 82 82 VAL HA H 82 3.590 3.484 0.106 1
1 1092 . 4 1 1 A 82 82 VAL C C 82 176.900 177.796 -0.896 1
1 1093 . 4 1 1 A 82 82 VAL CA C 82 66.800 66.678 0.122 1
1 1094 . 4 1 1 A 82 82 VAL CB C 82 31.100 31.530 -0.430 1
1 1097 . 4 1 1 A 82 82 VAL N N 82 120.900 120.199 0.701 1
1 1098 . 4 1 1 A 83 83 ASN H H 83 8.440 8.671 -0.231 1
1 1099 . 4 1 1 A 83 83 ASN HA H 83 4.440 4.365 0.075 1
1 1104 . 4 1 1 A 83 83 ASN C C 83 177.700 178.172 -0.472 1
1 1105 . 4 1 1 A 83 83 ASN CA C 83 56.000 56.730 -0.730 1
1 1106 . 4 1 1 A 83 83 ASN CB C 83 37.000 39.642 -2.642 1
1 1107 . 4 1 1 A 83 83 ASN N N 83 120.500 118.844 1.656 1
1 1109 . 4 1 1 A 84 84 GLN H H 84 7.550 7.495 0.055 1
1 1110 . 4 1 1 A 84 84 GLN HA H 84 4.050 4.166 -0.116 1
1 1117 . 4 1 1 A 84 84 GLN C C 84 179.000 178.475 0.525 1
1 1118 . 4 1 1 A 84 84 GLN CA C 84 58.900 58.719 0.181 1
1 1119 . 4 1 1 A 84 84 GLN CB C 84 28.300 28.462 -0.162 1
1 1121 . 4 1 1 A 84 84 GLN N N 84 116.900 119.532 -2.632 1
1 1123 . 4 1 1 A 85 85 LEU H H 85 7.990 8.221 -0.231 1
1 1124 . 4 1 1 A 85 85 LEU HA H 85 4.080 4.163 -0.083 1
1 1134 . 4 1 1 A 85 85 LEU C C 85 180.400 179.779 0.621 1
1 1135 . 4 1 1 A 85 85 LEU CA C 85 58.200 58.206 -0.006 1
1 1136 . 4 1 1 A 85 85 LEU CB C 85 41.700 41.490 0.210 1
1 1140 . 4 1 1 A 85 85 LEU N N 85 121.300 119.016 2.284 1
1 1141 . 4 1 1 A 86 86 ILE H H 86 8.630 8.428 0.202 1
1 1142 . 4 1 1 A 86 86 ILE HA H 86 3.560 3.743 -0.183 1
1 1152 . 4 1 1 A 86 86 ILE C C 86 177.700 178.534 -0.834 1
1 1153 . 4 1 1 A 86 86 ILE CA C 86 66.600 64.900 1.700 1
1 1154 . 4 1 1 A 86 86 ILE CB C 86 37.800 37.597 0.203 1
1 1158 . 4 1 1 A 86 86 ILE N N 86 122.000 120.848 1.152 1
1 1159 . 4 1 1 A 87 87 LEU H H 87 8.200 7.884 0.316 1
1 1160 . 4 1 1 A 87 87 LEU HA H 87 4.010 4.096 -0.086 1
1 1170 . 4 1 1 A 87 87 LEU C C 87 179.000 179.026 -0.026 1
1 1171 . 4 1 1 A 87 87 LEU CA C 87 58.200 58.096 0.104 1
1 1172 . 4 1 1 A 87 87 LEU CB C 87 40.800 41.747 -0.947 1
1 1176 . 4 1 1 A 87 87 LEU N N 87 118.300 119.112 -0.812 1
1 1177 . 4 1 1 A 88 88 THR H H 88 8.420 8.165 0.255 1
1 1178 . 4 1 1 A 88 88 THR HA H 88 4.000 4.089 -0.089 1
1 1183 . 4 1 1 A 88 88 THR C C 88 176.300 177.280 -0.980 1
1 1184 . 4 1 1 A 88 88 THR CA C 88 66.500 66.073 0.427 1
1 1185 . 4 1 1 A 88 88 THR CB C 88 69.400 68.317 1.083 1
1 1187 . 4 1 1 A 88 88 THR N N 88 112.700 115.866 -3.166 1
1 1188 . 4 1 1 A 89 89 THR H H 89 7.690 7.914 -0.224 1
1 1189 . 4 1 1 A 89 89 THR HA H 89 4.040 3.948 0.092 1
1 1194 . 4 1 1 A 89 89 THR C C 89 175.500 177.081 -1.581 1
1 1195 . 4 1 1 A 89 89 THR CA C 89 67.100 66.833 0.267 1
1 1196 . 4 1 1 A 89 89 THR CB C 89 68.500 68.256 0.244 1
1 1198 . 4 1 1 A 89 89 THR N N 89 116.600 117.573 -0.973 1
1 1199 . 4 1 1 A 90 90 ILE H H 90 8.330 8.148 0.182 1
1 1200 . 4 1 1 A 90 90 ILE HA H 90 4.420 4.378 0.042 1
1 1210 . 4 1 1 A 90 90 ILE C C 90 175.700 175.997 -0.297 1
1 1211 . 4 1 1 A 90 90 ILE CA C 90 62.000 64.623 -2.623 1
1 1212 . 4 1 1 A 90 90 ILE CB C 90 38.500 37.515 0.985 1
1 1216 . 4 1 1 A 90 90 ILE N N 90 125.300 117.639 7.661 1
1 1217 . 4 1 1 A 91 91 LYS H H 91 7.450 8.085 -0.635 1
1 1218 . 4 1 1 A 91 91 LYS HA H 91 3.970 4.372 -0.402 1
1 1227 . 4 1 1 A 91 91 LYS CA C 91 57.200 54.302 2.898 1
1 1228 . 4 1 1 A 91 91 LYS CB C 91 32.900 34.269 -1.369 1
1 1 . 5 1 1 A 3 3 ILE H H 3 8.310 8.008 0.302 1
1 2 . 5 1 1 A 3 3 ILE HA H 3 3.740 3.943 -0.203 1
1 12 . 5 1 1 A 3 3 ILE C C 3 175.200 175.405 -0.205 1
1 13 . 5 1 1 A 3 3 ILE CA C 3 64.200 60.394 3.806 1
1 14 . 5 1 1 A 3 3 ILE CB C 3 37.400 36.275 1.125 1
1 18 . 5 1 1 A 3 3 ILE N N 3 124.900 120.817 4.083 1
1 19 . 5 1 1 A 4 4 LEU H H 4 7.270 7.982 -0.712 1
1 20 . 5 1 1 A 4 4 LEU HA H 4 3.680 4.256 -0.576 1
1 30 . 5 1 1 A 4 4 LEU C C 4 177.300 177.805 -0.505 1
1 31 . 5 1 1 A 4 4 LEU CA C 4 56.300 54.626 1.674 1
1 32 . 5 1 1 A 4 4 LEU CB C 4 41.100 41.099 0.001 1
1 36 . 5 1 1 A 4 4 LEU N N 4 116.100 127.657 -11.557 1
1 37 . 5 1 1 A 5 5 GLU H H 5 7.350 7.929 -0.579 1
1 38 . 5 1 1 A 5 5 GLU HA H 5 4.290 4.262 0.028 1
1 43 . 5 1 1 A 5 5 GLU C C 5 176.300 175.745 0.555 1
1 44 . 5 1 1 A 5 5 GLU CA C 5 55.200 58.080 -2.880 1
1 45 . 5 1 1 A 5 5 GLU CB C 5 30.000 29.445 0.555 1
1 47 . 5 1 1 A 5 5 GLU N N 5 114.200 117.344 -3.144 1
1 48 . 5 1 1 A 6 6 ASP H H 6 7.860 7.642 0.218 1
1 49 . 5 1 1 A 6 6 ASP HA H 6 4.830 4.984 -0.154 1
1 52 . 5 1 1 A 6 6 ASP C C 6 175.500 175.569 -0.069 1
1 53 . 5 1 1 A 6 6 ASP CA C 6 53.000 50.688 2.312 1
1 54 . 5 1 1 A 6 6 ASP CB C 6 40.800 42.781 -1.981 1
1 55 . 5 1 1 A 6 6 ASP N N 6 125.000 121.618 3.382 1
1 56 . 5 1 1 A 7 7 PRO HA H 7 4.240 4.392 -0.152 1
1 63 . 5 1 1 A 7 7 PRO C C 7 179.000 178.311 0.689 1
1 64 . 5 1 1 A 7 7 PRO CA C 7 65.700 64.750 0.950 1
1 65 . 5 1 1 A 7 7 PRO CB C 7 32.300 32.184 0.116 1
1 68 . 5 1 1 A 8 8 GLU H H 8 9.250 8.709 0.541 1
1 69 . 5 1 1 A 8 8 GLU HA H 8 4.120 4.104 0.016 1
1 74 . 5 1 1 A 8 8 GLU C C 8 178.100 178.842 -0.742 1
1 75 . 5 1 1 A 8 8 GLU CA C 8 60.000 59.158 0.842 1
1 76 . 5 1 1 A 8 8 GLU CB C 8 29.200 29.345 -0.145 1
1 78 . 5 1 1 A 8 8 GLU N N 8 117.600 118.398 -0.798 1
1 79 . 5 1 1 A 9 9 PHE H H 9 7.640 8.033 -0.393 1
1 80 . 5 1 1 A 9 9 PHE HA H 9 4.130 3.964 0.166 1
1 87 . 5 1 1 A 9 9 PHE C C 9 178.600 177.488 1.112 1
1 88 . 5 1 1 A 9 9 PHE CA C 9 62.200 61.352 0.848 1
1 89 . 5 1 1 A 9 9 PHE CB C 9 40.400 39.298 1.102 1
1 94 . 5 1 1 A 9 9 PHE N N 9 118.200 122.293 -4.093 1
1 95 . 5 1 1 A 10 10 VAL H H 10 8.220 7.964 0.256 1
1 96 . 5 1 1 A 10 10 VAL HA H 10 3.590 3.868 -0.278 1
1 104 . 5 1 1 A 10 10 VAL C C 10 179.400 177.756 1.644 1
1 105 . 5 1 1 A 10 10 VAL CA C 10 66.800 64.567 2.233 1
1 106 . 5 1 1 A 10 10 VAL CB C 10 31.700 31.343 0.357 1
1 109 . 5 1 1 A 10 10 VAL N N 10 120.300 118.807 1.493 1
1 110 . 5 1 1 A 11 11 LYS H H 11 7.760 7.594 0.166 1
1 111 . 5 1 1 A 11 11 LYS HA H 11 4.050 3.945 0.105 1
1 120 . 5 1 1 A 11 11 LYS C C 11 179.000 179.608 -0.608 1
1 121 . 5 1 1 A 11 11 LYS CA C 11 59.300 59.965 -0.665 1
1 122 . 5 1 1 A 11 11 LYS CB C 11 32.600 32.275 0.325 1
1 126 . 5 1 1 A 11 11 LYS N N 11 119.600 122.770 -3.170 1
1 127 . 5 1 1 A 12 12 LEU H H 12 7.750 8.359 -0.609 1
1 128 . 5 1 1 A 12 12 LEU HA H 12 4.190 3.982 0.208 1
1 138 . 5 1 1 A 12 12 LEU C C 12 178.400 179.320 -0.920 1
1 139 . 5 1 1 A 12 12 LEU CA C 12 57.800 57.991 -0.191 1
1 140 . 5 1 1 A 12 12 LEU CB C 12 41.900 41.323 0.577 1
1 144 . 5 1 1 A 12 12 LEU N N 12 119.900 120.438 -0.538 1
1 145 . 5 1 1 A 13 13 ARG H H 13 7.600 7.946 -0.346 1
1 146 . 5 1 1 A 13 13 ARG HA H 13 3.940 4.142 -0.202 1
1 153 . 5 1 1 A 13 13 ARG C C 13 178.600 177.782 0.818 1
1 154 . 5 1 1 A 13 13 ARG CA C 13 59.000 58.931 0.069 1
1 155 . 5 1 1 A 13 13 ARG CB C 13 30.200 29.665 0.535 1
1 158 . 5 1 1 A 13 13 ARG N N 13 115.300 119.295 -3.995 1
1 159 . 5 1 1 A 14 14 GLN H H 14 7.770 7.641 0.129 1
1 160 . 5 1 1 A 14 14 GLN HA H 14 4.130 4.237 -0.107 1
1 167 . 5 1 1 A 14 14 GLN C C 14 176.500 178.251 -1.751 1
1 168 . 5 1 1 A 14 14 GLN CA C 14 57.100 57.780 -0.680 1
1 169 . 5 1 1 A 14 14 GLN CB C 14 28.200 28.781 -0.581 1
1 171 . 5 1 1 A 14 14 GLN N N 14 116.400 118.042 -1.642 1
1 173 . 5 1 1 A 15 15 PHE H H 15 8.030 8.050 -0.020 1
1 174 . 5 1 1 A 15 15 PHE HA H 15 4.220 4.223 -0.003 1
1 181 . 5 1 1 A 15 15 PHE C C 15 175.200 175.329 -0.129 1
1 182 . 5 1 1 A 15 15 PHE CA C 15 59.100 61.306 -2.206 1
1 183 . 5 1 1 A 15 15 PHE CB C 15 38.800 39.519 -0.719 1
1 188 . 5 1 1 A 15 15 PHE N N 15 116.800 123.008 -6.208 1
1 189 . 5 1 1 A 16 16 LYS H H 16 7.470 8.388 -0.918 1
1 190 . 5 1 1 A 16 16 LYS HA H 16 4.190 4.353 -0.163 1
1 191 . 5 1 1 A 16 16 LYS CA C 16 58.400 58.498 -0.098 1
1 192 . 5 1 1 A 16 16 LYS CB C 16 33.300 31.159 2.141 1
1 193 . 5 1 1 A 16 16 LYS N N 16 122.500 117.904 4.596 1
1 194 . 5 1 1 A 17 17 GLY HA2 H 17 3.920 3.797 0.123 1
1 195 . 5 1 1 A 17 17 GLY HA3 H 17 4.210 3.860 0.350 1
1 196 . 5 1 1 A 17 17 GLY C C 17 174.300 174.392 -0.092 1
1 197 . 5 1 1 A 17 17 GLY CA C 17 46.200 46.906 -0.706 1
1 198 . 5 1 1 A 18 18 LYS H H 18 8.230 8.318 -0.088 1
1 199 . 5 1 1 A 18 18 LYS HA H 18 4.550 4.324 0.226 1
1 208 . 5 1 1 A 18 18 LYS C C 18 175.800 176.031 -0.231 1
1 209 . 5 1 1 A 18 18 LYS CA C 18 56.100 56.435 -0.335 1
1 210 . 5 1 1 A 18 18 LYS CB C 18 33.700 33.107 0.593 1
1 214 . 5 1 1 A 18 18 LYS N N 18 118.100 122.890 -4.790 1
1 215 . 5 1 1 A 19 19 VAL H H 19 7.150 7.064 0.086 1
1 216 . 5 1 1 A 19 19 VAL HA H 19 4.400 4.824 -0.424 1
1 224 . 5 1 1 A 19 19 VAL CA C 19 58.800 58.737 0.063 1
1 225 . 5 1 1 A 19 19 VAL CB C 19 34.300 34.679 -0.379 1
1 228 . 5 1 1 A 19 19 VAL N N 19 111.100 114.065 -2.965 1
1 229 . 5 1 1 A 20 20 ASN HA H 20 4.660 4.740 -0.080 1
1 234 . 5 1 1 A 20 20 ASN C C 20 174.600 176.623 -2.023 1
1 235 . 5 1 1 A 20 20 ASN CA C 20 52.700 53.997 -1.297 1
1 236 . 5 1 1 A 20 20 ASN CB C 20 37.900 38.657 -0.757 1
1 238 . 5 1 1 A 21 21 PHE H H 21 8.580 9.091 -0.511 1
1 239 . 5 1 1 A 21 21 PHE HA H 21 3.730 3.915 -0.185 1
1 247 . 5 1 1 A 21 21 PHE C C 21 175.300 177.064 -1.764 1
1 248 . 5 1 1 A 21 21 PHE CA C 21 62.500 62.602 -0.102 1
1 249 . 5 1 1 A 21 21 PHE CB C 21 40.400 40.043 0.357 1
1 255 . 5 1 1 A 21 21 PHE N N 21 128.200 125.163 3.037 1
1 256 . 5 1 1 A 22 22 ASN H H 22 8.220 8.333 -0.113 1
1 257 . 5 1 1 A 22 22 ASN HA H 22 4.300 4.352 -0.052 1
1 262 . 5 1 1 A 22 22 ASN C C 22 177.800 178.135 -0.335 1
1 263 . 5 1 1 A 22 22 ASN CA C 22 56.400 56.516 -0.116 1
1 264 . 5 1 1 A 22 22 ASN CB C 22 37.900 37.993 -0.093 1
1 265 . 5 1 1 A 22 22 ASN N N 22 114.600 117.642 -3.042 1
1 267 . 5 1 1 A 23 23 LEU H H 23 7.440 7.813 -0.373 1
1 268 . 5 1 1 A 23 23 LEU HA H 23 4.190 4.052 0.138 1
1 278 . 5 1 1 A 23 23 LEU C C 23 177.800 178.655 -0.855 1
1 279 . 5 1 1 A 23 23 LEU CA C 23 56.900 57.727 -0.827 1
1 280 . 5 1 1 A 23 23 LEU CB C 23 41.400 41.892 -0.492 1
1 284 . 5 1 1 A 23 23 LEU N N 23 122.500 120.865 1.635 1
1 285 . 5 1 1 A 24 24 VAL H H 24 7.930 8.329 -0.399 1
1 286 . 5 1 1 A 24 24 VAL HA H 24 3.560 3.506 0.054 1
1 294 . 5 1 1 A 24 24 VAL C C 24 177.500 177.536 -0.036 1
1 295 . 5 1 1 A 24 24 VAL CA C 24 67.200 66.996 0.204 1
1 296 . 5 1 1 A 24 24 VAL CB C 24 31.000 31.244 -0.244 1
1 299 . 5 1 1 A 24 24 VAL N N 24 119.400 119.010 0.390 1
1 300 . 5 1 1 A 25 25 MET H H 25 8.020 8.224 -0.204 1
1 301 . 5 1 1 A 25 25 MET HA H 25 3.640 3.952 -0.312 1
1 309 . 5 1 1 A 25 25 MET C C 25 176.800 178.076 -1.276 1
1 310 . 5 1 1 A 25 25 MET CA C 25 60.000 58.346 1.654 1
1 311 . 5 1 1 A 25 25 MET CB C 25 32.900 31.357 1.543 1
1 314 . 5 1 1 A 25 25 MET N N 25 116.600 118.859 -2.259 1
1 315 . 5 1 1 A 26 26 GLN H H 26 7.530 7.997 -0.467 1
1 316 . 5 1 1 A 26 26 GLN HA H 26 4.050 4.081 -0.031 1
1 323 . 5 1 1 A 26 26 GLN C C 26 177.800 178.464 -0.664 1
1 324 . 5 1 1 A 26 26 GLN CA C 26 59.100 58.859 0.241 1
1 325 . 5 1 1 A 26 26 GLN CB C 26 28.100 28.085 0.015 1
1 327 . 5 1 1 A 26 26 GLN N N 26 118.200 118.599 -0.399 1
1 329 . 5 1 1 A 27 27 ILE H H 27 8.230 8.449 -0.219 1
1 330 . 5 1 1 A 27 27 ILE HA H 27 3.350 3.500 -0.150 1
1 340 . 5 1 1 A 27 27 ILE C C 27 177.700 178.469 -0.769 1
1 341 . 5 1 1 A 27 27 ILE CA C 27 65.900 65.803 0.097 1
1 342 . 5 1 1 A 27 27 ILE CB C 27 37.900 38.067 -0.167 1
1 346 . 5 1 1 A 27 27 ILE N N 27 120.700 119.968 0.732 1
1 347 . 5 1 1 A 28 28 LEU H H 28 8.550 8.415 0.135 1
1 348 . 5 1 1 A 28 28 LEU HA H 28 4.020 4.032 -0.012 1
1 358 . 5 1 1 A 28 28 LEU C C 28 179.900 179.149 0.751 1
1 359 . 5 1 1 A 28 28 LEU CA C 28 58.400 58.089 0.311 1
1 360 . 5 1 1 A 28 28 LEU CB C 28 39.700 40.527 -0.827 1
1 364 . 5 1 1 A 28 28 LEU N N 28 118.900 119.067 -0.167 1
1 365 . 5 1 1 A 29 29 ASP H H 29 8.470 8.216 0.254 1
1 366 . 5 1 1 A 29 29 ASP HA H 29 4.440 4.275 0.165 1
1 369 . 5 1 1 A 29 29 ASP C C 29 179.600 178.376 1.224 1
1 370 . 5 1 1 A 29 29 ASP CA C 29 57.400 57.829 -0.429 1
1 371 . 5 1 1 A 29 29 ASP CB C 29 40.400 41.339 -0.939 1
1 372 . 5 1 1 A 29 29 ASP N N 29 120.700 119.687 1.013 1
1 373 . 5 1 1 A 30 30 GLU H H 30 8.630 8.513 0.117 1
1 374 . 5 1 1 A 30 30 GLU HA H 30 3.980 4.052 -0.072 1
1 379 . 5 1 1 A 30 30 GLU C C 30 180.600 179.067 1.533 1
1 380 . 5 1 1 A 30 30 GLU CA C 30 60.000 59.511 0.489 1
1 381 . 5 1 1 A 30 30 GLU CB C 30 29.900 29.351 0.549 1
1 383 . 5 1 1 A 30 30 GLU N N 30 120.800 118.757 2.043 1
1 384 . 5 1 1 A 31 31 ILE H H 31 8.520 7.559 0.961 1
1 385 . 5 1 1 A 31 31 ILE HA H 31 3.540 3.880 -0.340 1
1 395 . 5 1 1 A 31 31 ILE C C 31 176.400 178.037 -1.637 1
1 396 . 5 1 1 A 31 31 ILE CA C 31 66.600 63.802 2.798 1
1 397 . 5 1 1 A 31 31 ILE CB C 31 37.800 37.342 0.458 1
1 401 . 5 1 1 A 31 31 ILE N N 31 123.100 117.911 5.189 1
1 402 . 5 1 1 A 32 32 GLU H H 32 8.070 7.979 0.091 1
1 403 . 5 1 1 A 32 32 GLU HA H 32 3.730 4.042 -0.312 1
1 408 . 5 1 1 A 32 32 GLU C C 32 178.400 179.182 -0.782 1
1 409 . 5 1 1 A 32 32 GLU CA C 32 60.800 59.270 1.530 1
1 410 . 5 1 1 A 32 32 GLU CB C 32 28.800 29.468 -0.668 1
1 412 . 5 1 1 A 32 32 GLU N N 32 120.300 121.187 -0.887 1
1 413 . 5 1 1 A 33 33 LEU H H 33 8.160 8.177 -0.017 1
1 414 . 5 1 1 A 33 33 LEU HA H 33 3.980 4.053 -0.073 1
1 424 . 5 1 1 A 33 33 LEU C C 33 180.100 178.396 1.704 1
1 425 . 5 1 1 A 33 33 LEU CA C 33 58.000 58.173 -0.173 1
1 426 . 5 1 1 A 33 33 LEU CB C 33 42.100 41.249 0.851 1
1 430 . 5 1 1 A 33 33 LEU N N 33 117.900 120.272 -2.372 1
1 431 . 5 1 1 A 34 34 ASP H H 34 8.200 8.351 -0.151 1
1 432 . 5 1 1 A 34 34 ASP HA H 34 4.290 4.398 -0.108 1
1 435 . 5 1 1 A 34 34 ASP C C 34 178.600 178.340 0.260 1
1 436 . 5 1 1 A 34 34 ASP CA C 34 58.200 57.643 0.557 1
1 437 . 5 1 1 A 34 34 ASP CB C 34 42.800 41.081 1.719 1
1 438 . 5 1 1 A 34 34 ASP N N 34 120.500 119.874 0.626 1
1 439 . 5 1 1 A 35 35 LEU H H 35 8.630 8.294 0.336 1
1 440 . 5 1 1 A 35 35 LEU HA H 35 4.360 4.080 0.280 1
1 450 . 5 1 1 A 35 35 LEU C C 35 179.000 176.597 2.403 1
1 451 . 5 1 1 A 35 35 LEU CA C 35 56.400 58.152 -1.752 1
1 452 . 5 1 1 A 35 35 LEU CB C 35 42.800 41.943 0.857 1
1 456 . 5 1 1 A 35 35 LEU N N 35 121.300 120.595 0.705 1
1 457 . 5 1 1 A 36 36 ARG H H 36 7.410 7.483 -0.073 1
1 458 . 5 1 1 A 36 36 ARG HA H 36 4.050 3.905 0.145 1
1 465 . 5 1 1 A 36 36 ARG C C 36 177.800 176.497 1.303 1
1 466 . 5 1 1 A 36 36 ARG CA C 36 59.000 58.530 0.470 1
1 467 . 5 1 1 A 36 36 ARG CB C 36 30.000 28.823 1.177 1
1 470 . 5 1 1 A 36 36 ARG N N 36 117.000 118.347 -1.347 1
1 471 . 5 1 1 A 37 37 GLY H H 37 7.580 8.086 -0.506 1
1 472 . 5 1 1 A 37 37 GLY HA2 H 37 3.830 4.179 -0.349 1
1 473 . 5 1 1 A 37 37 GLY HA3 H 37 4.280 4.192 0.088 1
1 474 . 5 1 1 A 37 37 GLY C C 37 174.800 174.725 0.075 1
1 475 . 5 1 1 A 37 37 GLY CA C 37 45.200 45.737 -0.537 1
1 476 . 5 1 1 A 37 37 GLY N N 37 103.600 106.804 -3.204 1
1 477 . 5 1 1 A 38 38 SER H H 38 8.380 8.573 -0.193 1
1 478 . 5 1 1 A 38 38 SER HA H 38 4.330 4.525 -0.195 1
1 481 . 5 1 1 A 38 38 SER C C 38 175.100 175.265 -0.165 1
1 482 . 5 1 1 A 38 38 SER CA C 38 58.700 59.400 -0.700 1
1 483 . 5 1 1 A 38 38 SER CB C 38 63.800 63.455 0.345 1
1 484 . 5 1 1 A 38 38 SER N N 38 117.800 114.219 3.581 1
1 485 . 5 1 1 A 39 39 ASP H H 39 8.520 7.900 0.620 1
1 486 . 5 1 1 A 39 39 ASP HA H 39 4.470 4.724 -0.254 1
1 489 . 5 1 1 A 39 39 ASP C C 39 175.300 175.421 -0.121 1
1 490 . 5 1 1 A 39 39 ASP CA C 39 55.400 56.057 -0.657 1
1 491 . 5 1 1 A 39 39 ASP CB C 39 41.500 41.955 -0.455 1
1 492 . 5 1 1 A 39 39 ASP N N 39 120.500 120.417 0.083 1
1 493 . 5 1 1 A 40 40 ASN H H 40 8.230 7.740 0.490 1
1 494 . 5 1 1 A 40 40 ASN HA H 40 4.800 4.932 -0.132 1
1 499 . 5 1 1 A 40 40 ASN C C 40 174.600 175.042 -0.442 1
1 500 . 5 1 1 A 40 40 ASN CA C 40 52.900 52.764 0.136 1
1 501 . 5 1 1 A 40 40 ASN CB C 40 39.500 41.547 -2.047 1
1 502 . 5 1 1 A 40 40 ASN N N 40 116.100 115.405 0.695 1
1 504 . 5 1 1 A 41 41 ILE H H 41 8.340 8.387 -0.047 1
1 505 . 5 1 1 A 41 41 ILE HA H 41 3.840 3.744 0.096 1
1 515 . 5 1 1 A 41 41 ILE C C 41 175.000 177.367 -2.367 1
1 516 . 5 1 1 A 41 41 ILE CA C 41 62.500 63.203 -0.703 1
1 517 . 5 1 1 A 41 41 ILE CB C 41 37.600 37.410 0.190 1
1 521 . 5 1 1 A 41 41 ILE N N 41 124.800 124.904 -0.104 1
1 522 . 5 1 1 A 42 42 LYS H H 42 7.790 8.156 -0.366 1
1 523 . 5 1 1 A 42 42 LYS HA H 42 3.780 3.944 -0.164 1
1 532 . 5 1 1 A 42 42 LYS C C 42 178.300 178.854 -0.554 1
1 533 . 5 1 1 A 42 42 LYS CA C 42 60.200 58.737 1.463 1
1 534 . 5 1 1 A 42 42 LYS CB C 42 31.800 31.587 0.213 1
1 538 . 5 1 1 A 42 42 LYS N N 42 122.100 120.262 1.838 1
1 539 . 5 1 1 A 43 43 THR H H 43 7.500 7.962 -0.462 1
1 540 . 5 1 1 A 43 43 THR HA H 43 3.790 3.637 0.153 1
1 545 . 5 1 1 A 43 43 THR C C 43 177.100 176.036 1.064 1
1 546 . 5 1 1 A 43 43 THR CA C 43 65.900 66.334 -0.434 1
1 547 . 5 1 1 A 43 43 THR CB C 43 68.400 68.212 0.188 1
1 549 . 5 1 1 A 43 43 THR N N 43 112.900 117.101 -4.201 1
1 550 . 5 1 1 A 44 44 SER H H 44 7.860 7.797 0.063 1
1 551 . 5 1 1 A 44 44 SER HA H 44 4.570 4.209 0.361 1
1 554 . 5 1 1 A 44 44 SER C C 44 175.100 175.879 -0.779 1
1 555 . 5 1 1 A 44 44 SER CA C 44 63.600 62.404 1.196 1
1 556 . 5 1 1 A 44 44 SER CB C 44 63.900 62.893 1.007 1
1 557 . 5 1 1 A 44 44 SER N N 44 119.700 117.201 2.499 1
1 558 . 5 1 1 A 45 45 ILE H H 45 8.240 7.957 0.283 1
1 559 . 5 1 1 A 45 45 ILE HA H 45 3.140 3.545 -0.405 1
1 569 . 5 1 1 A 45 45 ILE C C 45 176.500 178.062 -1.562 1
1 570 . 5 1 1 A 45 45 ILE CA C 45 66.200 64.482 1.718 1
1 571 . 5 1 1 A 45 45 ILE CB C 45 37.800 37.472 0.328 1
1 575 . 5 1 1 A 45 45 ILE N N 45 121.300 120.728 0.572 1
1 576 . 5 1 1 A 46 46 ILE H H 46 7.680 7.820 -0.140 1
1 577 . 5 1 1 A 46 46 ILE HA H 46 3.480 3.468 0.012 1
1 587 . 5 1 1 A 46 46 ILE C C 46 178.900 177.714 1.186 1
1 588 . 5 1 1 A 46 46 ILE CA C 46 65.300 65.142 0.158 1
1 589 . 5 1 1 A 46 46 ILE CB C 46 37.800 37.667 0.133 1
1 593 . 5 1 1 A 46 46 ILE N N 46 117.100 120.041 -2.941 1
1 594 . 5 1 1 A 47 47 TYR H H 47 8.400 7.390 1.010 1
1 595 . 5 1 1 A 47 47 TYR HA H 47 4.190 4.415 -0.225 1
1 602 . 5 1 1 A 47 47 TYR C C 47 178.700 178.377 0.323 1
1 603 . 5 1 1 A 47 47 TYR CA C 47 61.300 61.022 0.278 1
1 604 . 5 1 1 A 47 47 TYR CB C 47 38.400 38.354 0.046 1
1 609 . 5 1 1 A 47 47 TYR N N 47 120.900 119.832 1.068 1
1 610 . 5 1 1 A 48 48 VAL H H 48 8.480 8.358 0.122 1
1 611 . 5 1 1 A 48 48 VAL HA H 48 3.560 3.787 -0.227 1
1 619 . 5 1 1 A 48 48 VAL C C 48 179.600 177.685 1.915 1
1 620 . 5 1 1 A 48 48 VAL CA C 48 67.000 66.705 0.295 1
1 621 . 5 1 1 A 48 48 VAL CB C 48 31.700 31.787 -0.087 1
1 624 . 5 1 1 A 48 48 VAL N N 48 121.600 119.942 1.658 1
1 625 . 5 1 1 A 49 49 TYR H H 49 9.630 8.268 1.362 1
1 626 . 5 1 1 A 49 49 TYR HA H 49 4.080 4.130 -0.050 1
1 633 . 5 1 1 A 49 49 TYR C C 49 179.300 178.176 1.124 1
1 634 . 5 1 1 A 49 49 TYR CA C 49 59.900 61.474 -1.574 1
1 635 . 5 1 1 A 49 49 TYR CB C 49 35.300 37.737 -2.437 1
1 640 . 5 1 1 A 49 49 TYR N N 49 122.000 119.298 2.702 1
1 641 . 5 1 1 A 50 50 SER H H 50 8.120 8.053 0.067 1
1 642 . 5 1 1 A 50 50 SER HA H 50 4.130 4.480 -0.350 1
1 645 . 5 1 1 A 50 50 SER C C 50 175.700 176.342 -0.642 1
1 646 . 5 1 1 A 50 50 SER CA C 50 62.000 61.226 0.774 1
1 647 . 5 1 1 A 50 50 SER CB C 50 62.900 63.330 -0.430 1
1 648 . 5 1 1 A 50 50 SER N N 50 112.600 117.319 -4.719 1
1 649 . 5 1 1 A 51 51 SER H H 51 7.510 8.087 -0.577 1
1 650 . 5 1 1 A 51 51 SER HA H 51 4.350 4.198 0.152 1
1 653 . 5 1 1 A 51 51 SER C C 51 173.600 175.742 -2.142 1
1 654 . 5 1 1 A 51 51 SER CA C 51 59.500 61.596 -2.096 1
1 655 . 5 1 1 A 51 51 SER CB C 51 63.300 62.829 0.471 1
1 656 . 5 1 1 A 51 51 SER N N 51 116.800 116.466 0.334 1
1 657 . 5 1 1 A 52 52 HIS H H 52 7.590 8.290 -0.700 1
1 658 . 5 1 1 A 52 52 HIS HA H 52 4.890 4.888 0.002 1
1 663 . 5 1 1 A 52 52 HIS C C 52 175.200 175.584 -0.384 1
1 664 . 5 1 1 A 52 52 HIS CA C 52 54.100 54.427 -0.327 1
1 665 . 5 1 1 A 52 52 HIS CB C 52 29.500 28.326 1.174 1
1 668 . 5 1 1 A 52 52 HIS N N 52 120.500 117.019 3.481 1
1 669 . 5 1 1 A 53 53 LEU H H 53 7.440 7.606 -0.166 1
1 670 . 5 1 1 A 53 53 LEU HA H 53 3.870 3.659 0.211 1
1 680 . 5 1 1 A 53 53 LEU C C 53 177.900 178.287 -0.387 1
1 681 . 5 1 1 A 53 53 LEU CA C 53 59.100 58.352 0.748 1
1 682 . 5 1 1 A 53 53 LEU CB C 53 42.300 41.303 0.997 1
1 686 . 5 1 1 A 53 53 LEU N N 53 121.400 122.003 -0.603 1
1 687 . 5 1 1 A 54 54 ASP H H 54 8.400 8.014 0.386 1
1 688 . 5 1 1 A 54 54 ASP HA H 54 4.290 4.250 0.040 1
1 691 . 5 1 1 A 54 54 ASP C C 54 177.900 179.020 -1.120 1
1 692 . 5 1 1 A 54 54 ASP CA C 54 57.600 57.553 0.047 1
1 693 . 5 1 1 A 54 54 ASP CB C 54 40.200 42.236 -2.036 1
1 694 . 5 1 1 A 54 54 ASP N N 54 115.900 118.848 -2.948 1
1 695 . 5 1 1 A 55 55 GLU H H 55 7.500 8.142 -0.642 1
1 696 . 5 1 1 A 55 55 GLU HA H 55 4.310 4.174 0.136 1
1 701 . 5 1 1 A 55 55 GLU C C 55 178.300 179.268 -0.968 1
1 702 . 5 1 1 A 55 55 GLU CA C 55 57.800 58.750 -0.950 1
1 703 . 5 1 1 A 55 55 GLU CB C 55 29.100 29.238 -0.138 1
1 705 . 5 1 1 A 55 55 GLU N N 55 120.100 118.685 1.415 1
1 706 . 5 1 1 A 56 56 ILE H H 56 7.720 7.516 0.204 1
1 707 . 5 1 1 A 56 56 ILE HA H 56 3.440 3.079 0.361 1
1 717 . 5 1 1 A 56 56 ILE C C 56 178.600 178.287 0.313 1
1 718 . 5 1 1 A 56 56 ILE CA C 56 62.500 64.801 -2.301 1
1 719 . 5 1 1 A 56 56 ILE CB C 56 36.200 37.529 -1.329 1
1 723 . 5 1 1 A 56 56 ILE N N 56 119.600 120.614 -1.014 1
1 724 . 5 1 1 A 57 57 ARG H H 57 8.200 8.471 -0.271 1
1 725 . 5 1 1 A 57 57 ARG HA H 57 3.930 4.076 -0.146 1
1 732 . 5 1 1 A 57 57 ARG C C 57 178.800 178.060 0.740 1
1 733 . 5 1 1 A 57 57 ARG CA C 57 59.000 58.614 0.386 1
1 734 . 5 1 1 A 57 57 ARG CB C 57 30.100 29.820 0.280 1
1 737 . 5 1 1 A 57 57 ARG N N 57 115.500 120.549 -5.049 1
1 738 . 5 1 1 A 58 58 LYS H H 58 7.400 7.613 -0.213 1
1 739 . 5 1 1 A 58 58 LYS HA H 58 4.210 4.188 0.022 1
1 748 . 5 1 1 A 58 58 LYS C C 58 176.800 177.166 -0.366 1
1 749 . 5 1 1 A 58 58 LYS CA C 58 58.100 58.570 -0.470 1
1 750 . 5 1 1 A 58 58 LYS CB C 58 33.100 32.616 0.484 1
1 754 . 5 1 1 A 58 58 LYS N N 58 117.400 117.978 -0.578 1
1 755 . 5 1 1 A 59 59 ASN H H 59 7.630 7.587 0.043 1
1 756 . 5 1 1 A 59 59 ASN HA H 59 5.310 5.269 0.041 1
1 761 . 5 1 1 A 59 59 ASN C C 59 174.900 175.049 -0.149 1
1 762 . 5 1 1 A 59 59 ASN CA C 59 52.100 52.434 -0.334 1
1 763 . 5 1 1 A 59 59 ASN CB C 59 40.200 39.351 0.849 1
1 764 . 5 1 1 A 59 59 ASN N N 59 119.200 115.676 3.524 1
1 766 . 5 1 1 A 60 60 LYS H H 60 7.460 8.297 -0.837 1
1 767 . 5 1 1 A 60 60 LYS HA H 60 4.070 4.325 -0.255 1
1 776 . 5 1 1 A 60 60 LYS C C 60 177.900 178.324 -0.424 1
1 777 . 5 1 1 A 60 60 LYS CA C 60 61.100 59.609 1.491 1
1 778 . 5 1 1 A 60 60 LYS CB C 60 33.300 32.005 1.295 1
1 782 . 5 1 1 A 60 60 LYS N N 60 122.700 119.019 3.681 1
1 783 . 5 1 1 A 61 61 GLU H H 61 8.660 8.021 0.639 1
1 784 . 5 1 1 A 61 61 GLU HA H 61 4.080 4.035 0.045 1
1 789 . 5 1 1 A 61 61 GLU C C 61 178.900 178.785 0.115 1
1 790 . 5 1 1 A 61 61 GLU CA C 61 60.100 58.928 1.172 1
1 791 . 5 1 1 A 61 61 GLU CB C 61 29.100 29.462 -0.362 1
1 793 . 5 1 1 A 61 61 GLU N N 61 117.300 119.710 -2.410 1
1 794 . 5 1 1 A 62 62 PHE H H 62 7.670 7.850 -0.180 1
1 795 . 5 1 1 A 62 62 PHE HA H 62 3.420 3.782 -0.362 1
1 803 . 5 1 1 A 62 62 PHE C C 62 176.200 176.790 -0.590 1
1 804 . 5 1 1 A 62 62 PHE CA C 62 60.900 61.074 -0.174 1
1 805 . 5 1 1 A 62 62 PHE CB C 62 38.300 38.554 -0.254 1
1 811 . 5 1 1 A 62 62 PHE N N 62 119.300 120.838 -1.538 1
1 812 . 5 1 1 A 63 63 TYR H H 63 7.850 8.311 -0.461 1
1 813 . 5 1 1 A 63 63 TYR HA H 63 3.870 4.243 -0.373 1
1 820 . 5 1 1 A 63 63 TYR C C 63 180.200 177.755 2.445 1
1 821 . 5 1 1 A 63 63 TYR CA C 63 63.500 62.160 1.340 1
1 822 . 5 1 1 A 63 63 TYR CB C 63 37.100 37.626 -0.526 1
1 827 . 5 1 1 A 63 63 TYR N N 63 116.500 118.026 -1.526 1
1 828 . 5 1 1 A 64 64 ASP H H 64 9.110 8.854 0.256 1
1 829 . 5 1 1 A 64 64 ASP HA H 64 4.650 4.405 0.245 1
1 832 . 5 1 1 A 64 64 ASP C C 64 178.700 178.428 0.272 1
1 833 . 5 1 1 A 64 64 ASP CA C 64 57.600 57.584 0.016 1
1 834 . 5 1 1 A 64 64 ASP CB C 64 39.800 41.178 -1.378 1
1 835 . 5 1 1 A 64 64 ASP N N 64 126.100 120.805 5.295 1
1 836 . 5 1 1 A 65 65 MET H H 65 7.600 8.099 -0.499 1
1 837 . 5 1 1 A 65 65 MET HA H 65 4.140 4.146 -0.006 1
1 845 . 5 1 1 A 65 65 MET C C 65 178.800 178.016 0.784 1
1 846 . 5 1 1 A 65 65 MET CA C 65 59.300 58.630 0.670 1
1 847 . 5 1 1 A 65 65 MET CB C 65 32.800 33.031 -0.231 1
1 850 . 5 1 1 A 65 65 MET N N 65 121.100 117.690 3.410 1
1 851 . 5 1 1 A 66 66 ILE H H 66 7.910 7.944 -0.034 1
1 852 . 5 1 1 A 66 66 ILE HA H 66 3.430 3.736 -0.306 1
1 862 . 5 1 1 A 66 66 ILE C C 66 177.000 177.908 -0.908 1
1 863 . 5 1 1 A 66 66 ILE CA C 66 64.500 64.109 0.391 1
1 864 . 5 1 1 A 66 66 ILE CB C 66 36.700 37.362 -0.662 1
1 868 . 5 1 1 A 66 66 ILE N N 66 116.900 116.365 0.535 1
1 869 . 5 1 1 A 67 67 ALA H H 67 7.660 8.602 -0.942 1
1 870 . 5 1 1 A 67 67 ALA HA H 67 3.940 3.934 0.006 1
1 874 . 5 1 1 A 67 67 ALA C C 67 180.200 179.492 0.708 1
1 875 . 5 1 1 A 67 67 ALA CA C 67 55.600 55.736 -0.136 1
1 876 . 5 1 1 A 67 67 ALA CB C 67 18.000 18.116 -0.116 1
1 877 . 5 1 1 A 67 67 ALA N N 67 120.700 122.956 -2.256 1
1 878 . 5 1 1 A 68 68 GLU H H 68 7.660 7.894 -0.234 1
1 879 . 5 1 1 A 68 68 GLU HA H 68 4.040 4.066 -0.026 1
1 884 . 5 1 1 A 68 68 GLU C C 68 179.000 178.891 0.109 1
1 885 . 5 1 1 A 68 68 GLU CA C 68 59.300 59.412 -0.112 1
1 886 . 5 1 1 A 68 68 GLU CB C 68 29.500 29.472 0.028 1
1 888 . 5 1 1 A 68 68 GLU N N 68 118.700 118.638 0.062 1
1 889 . 5 1 1 A 69 69 ILE H H 69 8.240 8.213 0.027 1
1 890 . 5 1 1 A 69 69 ILE HA H 69 3.630 3.838 -0.208 1
1 900 . 5 1 1 A 69 69 ILE C C 69 178.200 178.470 -0.270 1
1 901 . 5 1 1 A 69 69 ILE CA C 69 65.700 65.738 -0.038 1
1 902 . 5 1 1 A 69 69 ILE CB C 69 38.100 37.868 0.232 1
1 906 . 5 1 1 A 69 69 ILE N N 69 120.700 119.362 1.338 1
1 907 . 5 1 1 A 70 70 LEU H H 70 8.770 8.912 -0.142 1
1 908 . 5 1 1 A 70 70 LEU HA H 70 3.960 3.915 0.045 1
1 918 . 5 1 1 A 70 70 LEU C C 70 179.300 179.630 -0.330 1
1 919 . 5 1 1 A 70 70 LEU CA C 70 59.100 58.368 0.732 1
1 920 . 5 1 1 A 70 70 LEU CB C 70 43.000 41.697 1.303 1
1 924 . 5 1 1 A 70 70 LEU N N 70 119.100 120.330 -1.230 1
1 925 . 5 1 1 A 71 71 GLN H H 71 7.660 7.896 -0.236 1
1 926 . 5 1 1 A 71 71 GLN HA H 71 3.960 4.145 -0.185 1
1 933 . 5 1 1 A 71 71 GLN C C 71 177.700 178.856 -1.156 1
1 934 . 5 1 1 A 71 71 GLN CA C 71 59.800 59.275 0.525 1
1 935 . 5 1 1 A 71 71 GLN CB C 71 30.000 28.515 1.485 1
1 937 . 5 1 1 A 71 71 GLN N N 71 114.200 118.025 -3.825 1
1 939 . 5 1 1 A 72 72 ARG H H 72 8.180 8.136 0.044 1
1 940 . 5 1 1 A 72 72 ARG HA H 72 4.000 4.031 -0.031 1
1 947 . 5 1 1 A 72 72 ARG C C 72 178.900 177.905 0.995 1
1 948 . 5 1 1 A 72 72 ARG CA C 72 58.900 58.996 -0.096 1
1 949 . 5 1 1 A 72 72 ARG CB C 72 31.100 30.055 1.045 1
1 952 . 5 1 1 A 72 72 ARG N N 72 118.300 120.202 -1.902 1
1 953 . 5 1 1 A 73 73 TYR H H 73 7.970 8.280 -0.310 1
1 954 . 5 1 1 A 73 73 TYR HA H 73 4.800 4.343 0.457 1
1 961 . 5 1 1 A 73 73 TYR C C 73 178.000 177.840 0.160 1
1 962 . 5 1 1 A 73 73 TYR CA C 73 60.100 59.796 0.304 1
1 963 . 5 1 1 A 73 73 TYR CB C 73 41.200 38.672 2.528 1
1 968 . 5 1 1 A 73 73 TYR N N 73 111.500 118.188 -6.688 1
1 969 . 5 1 1 A 74 74 TYR H H 74 8.750 8.117 0.633 1
1 970 . 5 1 1 A 74 74 TYR HA H 74 4.080 4.215 -0.135 1
1 977 . 5 1 1 A 74 74 TYR C C 74 176.600 177.400 -0.800 1
1 978 . 5 1 1 A 74 74 TYR CA C 74 62.400 61.277 1.123 1
1 979 . 5 1 1 A 74 74 TYR CB C 74 36.100 38.590 -2.490 1
1 984 . 5 1 1 A 74 74 TYR N N 74 121.500 120.609 0.891 1
1 985 . 5 1 1 A 75 75 LYS H H 75 7.760 7.430 0.330 1
1 986 . 5 1 1 A 75 75 LYS HA H 75 3.710 3.791 -0.081 1
1 995 . 5 1 1 A 75 75 LYS C C 75 177.500 178.157 -0.657 1
1 996 . 5 1 1 A 75 75 LYS CA C 75 57.600 57.621 -0.021 1
1 997 . 5 1 1 A 75 75 LYS CB C 75 31.800 32.360 -0.560 1
1 1001 . 5 1 1 A 75 75 LYS N N 75 120.300 119.198 1.102 1
1 1002 . 5 1 1 A 76 76 LYS H H 76 7.510 7.972 -0.462 1
1 1003 . 5 1 1 A 76 76 LYS HA H 76 4.230 4.100 0.130 1
1 1012 . 5 1 1 A 76 76 LYS C C 76 177.900 177.688 0.212 1
1 1013 . 5 1 1 A 76 76 LYS CA C 76 58.300 58.339 -0.039 1
1 1014 . 5 1 1 A 76 76 LYS CB C 76 33.700 33.070 0.630 1
1 1018 . 5 1 1 A 76 76 LYS N N 76 118.000 119.746 -1.746 1
1 1019 . 5 1 1 A 77 77 ILE H H 77 7.610 8.528 -0.918 1
1 1020 . 5 1 1 A 77 77 ILE HA H 77 4.670 4.470 0.200 1
1 1030 . 5 1 1 A 77 77 ILE C C 77 176.000 175.860 0.140 1
1 1031 . 5 1 1 A 77 77 ILE CA C 77 60.600 61.129 -0.529 1
1 1032 . 5 1 1 A 77 77 ILE CB C 77 39.700 40.311 -0.611 1
1 1036 . 5 1 1 A 77 77 ILE N N 77 108.200 111.983 -3.783 1
1 1037 . 5 1 1 A 78 78 GLY H H 78 7.390 7.625 -0.235 1
1 1038 . 5 1 1 A 78 78 GLY HA2 H 78 4.730 4.135 0.595 1
1 1039 . 5 1 1 A 78 78 GLY HA3 H 78 3.970 4.149 -0.179 1
1 1040 . 5 1 1 A 78 78 GLY C C 78 175.800 174.877 0.923 1
1 1041 . 5 1 1 A 78 78 GLY CA C 78 44.900 44.718 0.182 1
1 1042 . 5 1 1 A 78 78 GLY N N 78 112.200 109.829 2.371 1
1 1043 . 5 1 1 A 79 79 ILE H H 79 9.030 8.949 0.081 1
1 1044 . 5 1 1 A 79 79 ILE HA H 79 4.080 4.007 0.073 1
1 1054 . 5 1 1 A 79 79 ILE C C 79 174.700 177.912 -3.212 1
1 1055 . 5 1 1 A 79 79 ILE CA C 79 62.900 63.160 -0.260 1
1 1056 . 5 1 1 A 79 79 ILE CB C 79 38.600 38.191 0.409 1
1 1060 . 5 1 1 A 79 79 ILE N N 79 125.700 122.040 3.660 1
1 1061 . 5 1 1 A 80 80 GLU H H 80 9.480 8.553 0.927 1
1 1062 . 5 1 1 A 80 80 GLU HA H 80 4.070 3.995 0.075 1
1 1067 . 5 1 1 A 80 80 GLU C C 80 179.200 179.415 -0.215 1
1 1068 . 5 1 1 A 80 80 GLU CA C 80 59.700 59.928 -0.228 1
1 1069 . 5 1 1 A 80 80 GLU CB C 80 28.100 29.202 -1.102 1
1 1071 . 5 1 1 A 80 80 GLU N N 80 122.400 122.325 0.075 1
1 1072 . 5 1 1 A 81 81 ASN H H 81 7.570 8.063 -0.493 1
1 1073 . 5 1 1 A 81 81 ASN HA H 81 4.580 4.568 0.012 1
1 1078 . 5 1 1 A 81 81 ASN C C 81 177.600 177.917 -0.317 1
1 1079 . 5 1 1 A 81 81 ASN CA C 81 55.600 56.270 -0.670 1
1 1080 . 5 1 1 A 81 81 ASN CB C 81 37.900 38.924 -1.024 1
1 1081 . 5 1 1 A 81 81 ASN N N 81 117.000 118.432 -1.432 1
1 1083 . 5 1 1 A 82 82 VAL H H 82 8.180 8.212 -0.032 1
1 1084 . 5 1 1 A 82 82 VAL HA H 82 3.590 3.514 0.076 1
1 1092 . 5 1 1 A 82 82 VAL C C 82 176.900 177.774 -0.874 1
1 1093 . 5 1 1 A 82 82 VAL CA C 82 66.800 66.758 0.042 1
1 1094 . 5 1 1 A 82 82 VAL CB C 82 31.100 31.403 -0.303 1
1 1097 . 5 1 1 A 82 82 VAL N N 82 120.900 120.476 0.424 1
1 1098 . 5 1 1 A 83 83 ASN H H 83 8.440 8.678 -0.238 1
1 1099 . 5 1 1 A 83 83 ASN HA H 83 4.440 4.382 0.058 1
1 1104 . 5 1 1 A 83 83 ASN C C 83 177.700 178.154 -0.454 1
1 1105 . 5 1 1 A 83 83 ASN CA C 83 56.000 56.726 -0.726 1
1 1106 . 5 1 1 A 83 83 ASN CB C 83 37.000 39.738 -2.738 1
1 1107 . 5 1 1 A 83 83 ASN N N 83 120.500 118.763 1.737 1
1 1109 . 5 1 1 A 84 84 GLN H H 84 7.550 7.466 0.084 1
1 1110 . 5 1 1 A 84 84 GLN HA H 84 4.050 4.119 -0.069 1
1 1117 . 5 1 1 A 84 84 GLN C C 84 179.000 178.411 0.589 1
1 1118 . 5 1 1 A 84 84 GLN CA C 84 58.900 58.678 0.222 1
1 1119 . 5 1 1 A 84 84 GLN CB C 84 28.300 28.431 -0.131 1
1 1121 . 5 1 1 A 84 84 GLN N N 84 116.900 119.523 -2.623 1
1 1123 . 5 1 1 A 85 85 LEU H H 85 7.990 8.250 -0.260 1
1 1124 . 5 1 1 A 85 85 LEU HA H 85 4.080 4.166 -0.086 1
1 1134 . 5 1 1 A 85 85 LEU C C 85 180.400 179.849 0.551 1
1 1135 . 5 1 1 A 85 85 LEU CA C 85 58.200 57.956 0.244 1
1 1136 . 5 1 1 A 85 85 LEU CB C 85 41.700 41.294 0.406 1
1 1140 . 5 1 1 A 85 85 LEU N N 85 121.300 118.814 2.486 1
1 1141 . 5 1 1 A 86 86 ILE H H 86 8.630 8.544 0.086 1
1 1142 . 5 1 1 A 86 86 ILE HA H 86 3.560 3.949 -0.389 1
1 1152 . 5 1 1 A 86 86 ILE C C 86 177.700 178.685 -0.985 1
1 1153 . 5 1 1 A 86 86 ILE CA C 86 66.600 64.853 1.747 1
1 1154 . 5 1 1 A 86 86 ILE CB C 86 37.800 37.236 0.564 1
1 1158 . 5 1 1 A 86 86 ILE N N 86 122.000 121.041 0.959 1
1 1159 . 5 1 1 A 87 87 LEU H H 87 8.200 7.827 0.373 1
1 1160 . 5 1 1 A 87 87 LEU HA H 87 4.010 4.108 -0.098 1
1 1170 . 5 1 1 A 87 87 LEU C C 87 179.000 179.402 -0.402 1
1 1171 . 5 1 1 A 87 87 LEU CA C 87 58.200 58.050 0.150 1
1 1172 . 5 1 1 A 87 87 LEU CB C 87 40.800 41.833 -1.033 1
1 1176 . 5 1 1 A 87 87 LEU N N 87 118.300 119.916 -1.616 1
1 1177 . 5 1 1 A 88 88 THR H H 88 8.420 8.311 0.109 1
1 1178 . 5 1 1 A 88 88 THR HA H 88 4.000 4.028 -0.028 1
1 1183 . 5 1 1 A 88 88 THR C C 88 176.300 176.674 -0.374 1
1 1184 . 5 1 1 A 88 88 THR CA C 88 66.500 66.195 0.305 1
1 1185 . 5 1 1 A 88 88 THR CB C 88 69.400 68.165 1.235 1
1 1187 . 5 1 1 A 88 88 THR N N 88 112.700 115.761 -3.061 1
1 1188 . 5 1 1 A 89 89 THR H H 89 7.690 7.997 -0.307 1
1 1189 . 5 1 1 A 89 89 THR HA H 89 4.040 3.938 0.102 1
1 1194 . 5 1 1 A 89 89 THR C C 89 175.500 176.888 -1.388 1
1 1195 . 5 1 1 A 89 89 THR CA C 89 67.100 66.616 0.484 1
1 1196 . 5 1 1 A 89 89 THR CB C 89 68.500 68.557 -0.057 1
1 1198 . 5 1 1 A 89 89 THR N N 89 116.600 117.912 -1.312 1
1 1199 . 5 1 1 A 90 90 ILE H H 90 8.330 7.446 0.884 1
1 1200 . 5 1 1 A 90 90 ILE HA H 90 4.420 3.961 0.459 1
1 1210 . 5 1 1 A 90 90 ILE C C 90 175.700 178.215 -2.515 1
1 1211 . 5 1 1 A 90 90 ILE CA C 90 62.000 64.496 -2.496 1
1 1212 . 5 1 1 A 90 90 ILE CB C 90 38.500 37.858 0.642 1
1 1216 . 5 1 1 A 90 90 ILE N N 90 125.300 116.543 8.757 1
1 1217 . 5 1 1 A 91 91 LYS H H 91 7.450 8.309 -0.859 1
1 1218 . 5 1 1 A 91 91 LYS HA H 91 3.970 4.075 -0.105 1
1 1227 . 5 1 1 A 91 91 LYS CA C 91 57.200 58.855 -1.655 1
1 1228 . 5 1 1 A 91 91 LYS CB C 91 32.900 31.855 1.045 1
1 1 . 6 1 1 A 3 3 ILE H H 3 8.310 9.107 -0.797 1
1 2 . 6 1 1 A 3 3 ILE HA H 3 3.740 3.655 0.085 1
1 12 . 6 1 1 A 3 3 ILE C C 3 175.200 176.260 -1.060 1
1 13 . 6 1 1 A 3 3 ILE CA C 3 64.200 62.643 1.557 1
1 14 . 6 1 1 A 3 3 ILE CB C 3 37.400 37.254 0.146 1
1 18 . 6 1 1 A 3 3 ILE N N 3 124.900 127.258 -2.358 1
1 19 . 6 1 1 A 4 4 LEU H H 4 7.270 8.405 -1.135 1
1 20 . 6 1 1 A 4 4 LEU HA H 4 3.680 4.418 -0.738 1
1 30 . 6 1 1 A 4 4 LEU C C 4 177.300 177.635 -0.335 1
1 31 . 6 1 1 A 4 4 LEU CA C 4 56.300 55.725 0.575 1
1 32 . 6 1 1 A 4 4 LEU CB C 4 41.100 41.282 -0.182 1
1 36 . 6 1 1 A 4 4 LEU N N 4 116.100 121.130 -5.030 1
1 37 . 6 1 1 A 5 5 GLU H H 5 7.350 8.029 -0.679 1
1 38 . 6 1 1 A 5 5 GLU HA H 5 4.290 4.358 -0.068 1
1 43 . 6 1 1 A 5 5 GLU C C 5 176.300 175.976 0.324 1
1 44 . 6 1 1 A 5 5 GLU CA C 5 55.200 57.160 -1.960 1
1 45 . 6 1 1 A 5 5 GLU CB C 5 30.000 29.840 0.160 1
1 47 . 6 1 1 A 5 5 GLU N N 5 114.200 116.996 -2.796 1
1 48 . 6 1 1 A 6 6 ASP H H 6 7.860 7.756 0.104 1
1 49 . 6 1 1 A 6 6 ASP HA H 6 4.830 4.991 -0.161 1
1 52 . 6 1 1 A 6 6 ASP C C 6 175.500 175.688 -0.188 1
1 53 . 6 1 1 A 6 6 ASP CA C 6 53.000 51.101 1.899 1
1 54 . 6 1 1 A 6 6 ASP CB C 6 40.800 42.741 -1.941 1
1 55 . 6 1 1 A 6 6 ASP N N 6 125.000 122.675 2.325 1
1 56 . 6 1 1 A 7 7 PRO HA H 7 4.240 4.461 -0.221 1
1 63 . 6 1 1 A 7 7 PRO C C 7 179.000 178.149 0.851 1
1 64 . 6 1 1 A 7 7 PRO CA C 7 65.700 64.754 0.946 1
1 65 . 6 1 1 A 7 7 PRO CB C 7 32.300 32.156 0.144 1
1 68 . 6 1 1 A 8 8 GLU H H 8 9.250 8.506 0.744 1
1 69 . 6 1 1 A 8 8 GLU HA H 8 4.120 4.120 0.000 1
1 74 . 6 1 1 A 8 8 GLU C C 8 178.100 178.963 -0.863 1
1 75 . 6 1 1 A 8 8 GLU CA C 8 60.000 59.254 0.746 1
1 76 . 6 1 1 A 8 8 GLU CB C 8 29.200 29.286 -0.086 1
1 78 . 6 1 1 A 8 8 GLU N N 8 117.600 118.194 -0.594 1
1 79 . 6 1 1 A 9 9 PHE H H 9 7.640 8.443 -0.803 1
1 80 . 6 1 1 A 9 9 PHE HA H 9 4.130 3.988 0.142 1
1 87 . 6 1 1 A 9 9 PHE C C 9 178.600 177.773 0.827 1
1 88 . 6 1 1 A 9 9 PHE CA C 9 62.200 61.386 0.814 1
1 89 . 6 1 1 A 9 9 PHE CB C 9 40.400 39.290 1.110 1
1 94 . 6 1 1 A 9 9 PHE N N 9 118.200 122.154 -3.954 1
1 95 . 6 1 1 A 10 10 VAL H H 10 8.220 8.018 0.202 1
1 96 . 6 1 1 A 10 10 VAL HA H 10 3.590 3.769 -0.179 1
1 104 . 6 1 1 A 10 10 VAL C C 10 179.400 177.708 1.692 1
1 105 . 6 1 1 A 10 10 VAL CA C 10 66.800 64.481 2.319 1
1 106 . 6 1 1 A 10 10 VAL CB C 10 31.700 31.325 0.375 1
1 109 . 6 1 1 A 10 10 VAL N N 10 120.300 118.811 1.489 1
1 110 . 6 1 1 A 11 11 LYS H H 11 7.760 7.477 0.283 1
1 111 . 6 1 1 A 11 11 LYS HA H 11 4.050 3.951 0.099 1
1 120 . 6 1 1 A 11 11 LYS C C 11 179.000 179.585 -0.585 1
1 121 . 6 1 1 A 11 11 LYS CA C 11 59.300 59.903 -0.603 1
1 122 . 6 1 1 A 11 11 LYS CB C 11 32.600 32.279 0.321 1
1 126 . 6 1 1 A 11 11 LYS N N 11 119.600 122.392 -2.792 1
1 127 . 6 1 1 A 12 12 LEU H H 12 7.750 8.198 -0.448 1
1 128 . 6 1 1 A 12 12 LEU HA H 12 4.190 3.998 0.192 1
1 138 . 6 1 1 A 12 12 LEU C C 12 178.400 179.207 -0.807 1
1 139 . 6 1 1 A 12 12 LEU CA C 12 57.800 57.987 -0.187 1
1 140 . 6 1 1 A 12 12 LEU CB C 12 41.900 41.323 0.577 1
1 144 . 6 1 1 A 12 12 LEU N N 12 119.900 120.481 -0.581 1
1 145 . 6 1 1 A 13 13 ARG H H 13 7.600 7.749 -0.149 1
1 146 . 6 1 1 A 13 13 ARG HA H 13 3.940 3.988 -0.048 1
1 153 . 6 1 1 A 13 13 ARG C C 13 178.600 178.742 -0.142 1
1 154 . 6 1 1 A 13 13 ARG CA C 13 59.000 59.225 -0.225 1
1 155 . 6 1 1 A 13 13 ARG CB C 13 30.200 29.397 0.803 1
1 158 . 6 1 1 A 13 13 ARG N N 13 115.300 118.922 -3.622 1
1 159 . 6 1 1 A 14 14 GLN H H 14 7.770 7.413 0.357 1
1 160 . 6 1 1 A 14 14 GLN HA H 14 4.130 4.174 -0.044 1
1 167 . 6 1 1 A 14 14 GLN C C 14 176.500 178.337 -1.837 1
1 168 . 6 1 1 A 14 14 GLN CA C 14 57.100 58.503 -1.403 1
1 169 . 6 1 1 A 14 14 GLN CB C 14 28.200 28.802 -0.602 1
1 171 . 6 1 1 A 14 14 GLN N N 14 116.400 118.767 -2.367 1
1 173 . 6 1 1 A 15 15 PHE H H 15 8.030 8.336 -0.306 1
1 174 . 6 1 1 A 15 15 PHE HA H 15 4.220 4.125 0.095 1
1 181 . 6 1 1 A 15 15 PHE C C 15 175.200 175.280 -0.080 1
1 182 . 6 1 1 A 15 15 PHE CA C 15 59.100 61.185 -2.085 1
1 183 . 6 1 1 A 15 15 PHE CB C 15 38.800 39.413 -0.613 1
1 188 . 6 1 1 A 15 15 PHE N N 15 116.800 122.612 -5.812 1
1 189 . 6 1 1 A 16 16 LYS H H 16 7.470 8.530 -1.060 1
1 190 . 6 1 1 A 16 16 LYS HA H 16 4.190 4.272 -0.082 1
1 191 . 6 1 1 A 16 16 LYS CA C 16 58.400 58.337 0.063 1
1 192 . 6 1 1 A 16 16 LYS CB C 16 33.300 31.110 2.190 1
1 193 . 6 1 1 A 16 16 LYS N N 16 122.500 118.112 4.388 1
1 194 . 6 1 1 A 17 17 GLY HA2 H 17 3.920 3.647 0.273 1
1 195 . 6 1 1 A 17 17 GLY HA3 H 17 4.210 3.867 0.343 1
1 196 . 6 1 1 A 17 17 GLY C C 17 174.300 173.999 0.301 1
1 197 . 6 1 1 A 17 17 GLY CA C 17 46.200 45.033 1.167 1
1 198 . 6 1 1 A 18 18 LYS H H 18 8.230 8.434 -0.204 1
1 199 . 6 1 1 A 18 18 LYS HA H 18 4.550 4.433 0.117 1
1 208 . 6 1 1 A 18 18 LYS C C 18 175.800 175.294 0.506 1
1 209 . 6 1 1 A 18 18 LYS CA C 18 56.100 55.456 0.644 1
1 210 . 6 1 1 A 18 18 LYS CB C 18 33.700 32.414 1.286 1
1 214 . 6 1 1 A 18 18 LYS N N 18 118.100 125.910 -7.810 1
1 215 . 6 1 1 A 19 19 VAL H H 19 7.150 7.168 -0.018 1
1 216 . 6 1 1 A 19 19 VAL HA H 19 4.400 4.853 -0.453 1
1 224 . 6 1 1 A 19 19 VAL CA C 19 58.800 58.497 0.303 1
1 225 . 6 1 1 A 19 19 VAL CB C 19 34.300 35.028 -0.728 1
1 228 . 6 1 1 A 19 19 VAL N N 19 111.100 115.658 -4.558 1
1 229 . 6 1 1 A 20 20 ASN HA H 20 4.660 4.832 -0.172 1
1 234 . 6 1 1 A 20 20 ASN C C 20 174.600 176.482 -1.882 1
1 235 . 6 1 1 A 20 20 ASN CA C 20 52.700 53.126 -0.426 1
1 236 . 6 1 1 A 20 20 ASN CB C 20 37.900 39.731 -1.831 1
1 238 . 6 1 1 A 21 21 PHE H H 21 8.580 9.152 -0.572 1
1 239 . 6 1 1 A 21 21 PHE HA H 21 3.730 4.012 -0.282 1
1 247 . 6 1 1 A 21 21 PHE C C 21 175.300 177.125 -1.825 1
1 248 . 6 1 1 A 21 21 PHE CA C 21 62.500 62.388 0.112 1
1 249 . 6 1 1 A 21 21 PHE CB C 21 40.400 39.452 0.948 1
1 255 . 6 1 1 A 21 21 PHE N N 21 128.200 127.845 0.355 1
1 256 . 6 1 1 A 22 22 ASN H H 22 8.220 8.459 -0.239 1
1 257 . 6 1 1 A 22 22 ASN HA H 22 4.300 4.442 -0.142 1
1 262 . 6 1 1 A 22 22 ASN C C 22 177.800 177.917 -0.117 1
1 263 . 6 1 1 A 22 22 ASN CA C 22 56.400 56.812 -0.412 1
1 264 . 6 1 1 A 22 22 ASN CB C 22 37.900 38.486 -0.586 1
1 265 . 6 1 1 A 22 22 ASN N N 22 114.600 118.199 -3.599 1
1 267 . 6 1 1 A 23 23 LEU H H 23 7.440 7.617 -0.177 1
1 268 . 6 1 1 A 23 23 LEU HA H 23 4.190 4.077 0.113 1
1 278 . 6 1 1 A 23 23 LEU C C 23 177.800 178.733 -0.933 1
1 279 . 6 1 1 A 23 23 LEU CA C 23 56.900 57.743 -0.843 1
1 280 . 6 1 1 A 23 23 LEU CB C 23 41.400 41.978 -0.578 1
1 284 . 6 1 1 A 23 23 LEU N N 23 122.500 121.232 1.268 1
1 285 . 6 1 1 A 24 24 VAL H H 24 7.930 8.358 -0.428 1
1 286 . 6 1 1 A 24 24 VAL HA H 24 3.560 3.527 0.033 1
1 294 . 6 1 1 A 24 24 VAL C C 24 177.500 177.633 -0.133 1
1 295 . 6 1 1 A 24 24 VAL CA C 24 67.200 67.010 0.190 1
1 296 . 6 1 1 A 24 24 VAL CB C 24 31.000 31.456 -0.456 1
1 299 . 6 1 1 A 24 24 VAL N N 24 119.400 119.041 0.359 1
1 300 . 6 1 1 A 25 25 MET H H 25 8.020 8.080 -0.060 1
1 301 . 6 1 1 A 25 25 MET HA H 25 3.640 4.021 -0.381 1
1 309 . 6 1 1 A 25 25 MET C C 25 176.800 178.278 -1.478 1
1 310 . 6 1 1 A 25 25 MET CA C 25 60.000 58.236 1.764 1
1 311 . 6 1 1 A 25 25 MET CB C 25 32.900 31.696 1.204 1
1 314 . 6 1 1 A 25 25 MET N N 25 116.600 118.858 -2.258 1
1 315 . 6 1 1 A 26 26 GLN H H 26 7.530 7.841 -0.311 1
1 316 . 6 1 1 A 26 26 GLN HA H 26 4.050 4.113 -0.063 1
1 323 . 6 1 1 A 26 26 GLN C C 26 177.800 178.428 -0.628 1
1 324 . 6 1 1 A 26 26 GLN CA C 26 59.100 58.772 0.328 1
1 325 . 6 1 1 A 26 26 GLN CB C 26 28.100 28.456 -0.356 1
1 327 . 6 1 1 A 26 26 GLN N N 26 118.200 118.735 -0.535 1
1 329 . 6 1 1 A 27 27 ILE H H 27 8.230 8.426 -0.196 1
1 330 . 6 1 1 A 27 27 ILE HA H 27 3.350 3.462 -0.112 1
1 340 . 6 1 1 A 27 27 ILE C C 27 177.700 178.297 -0.597 1
1 341 . 6 1 1 A 27 27 ILE CA C 27 65.900 65.789 0.111 1
1 342 . 6 1 1 A 27 27 ILE CB C 27 37.900 37.931 -0.031 1
1 346 . 6 1 1 A 27 27 ILE N N 27 120.700 120.404 0.296 1
1 347 . 6 1 1 A 28 28 LEU H H 28 8.550 8.357 0.193 1
1 348 . 6 1 1 A 28 28 LEU HA H 28 4.020 4.047 -0.027 1
1 358 . 6 1 1 A 28 28 LEU C C 28 179.900 179.418 0.482 1
1 359 . 6 1 1 A 28 28 LEU CA C 28 58.400 57.902 0.498 1
1 360 . 6 1 1 A 28 28 LEU CB C 28 39.700 40.630 -0.930 1
1 364 . 6 1 1 A 28 28 LEU N N 28 118.900 119.016 -0.116 1
1 365 . 6 1 1 A 29 29 ASP H H 29 8.470 8.046 0.424 1
1 366 . 6 1 1 A 29 29 ASP HA H 29 4.440 4.293 0.147 1
1 369 . 6 1 1 A 29 29 ASP C C 29 179.600 178.492 1.108 1
1 370 . 6 1 1 A 29 29 ASP CA C 29 57.400 57.654 -0.254 1
1 371 . 6 1 1 A 29 29 ASP CB C 29 40.400 41.221 -0.821 1
1 372 . 6 1 1 A 29 29 ASP N N 29 120.700 119.671 1.029 1
1 373 . 6 1 1 A 30 30 GLU H H 30 8.630 8.453 0.177 1
1 374 . 6 1 1 A 30 30 GLU HA H 30 3.980 4.024 -0.044 1
1 379 . 6 1 1 A 30 30 GLU C C 30 180.600 179.099 1.501 1
1 380 . 6 1 1 A 30 30 GLU CA C 30 60.000 59.433 0.567 1
1 381 . 6 1 1 A 30 30 GLU CB C 30 29.900 29.369 0.531 1
1 383 . 6 1 1 A 30 30 GLU N N 30 120.800 118.557 2.243 1
1 384 . 6 1 1 A 31 31 ILE H H 31 8.520 7.730 0.790 1
1 385 . 6 1 1 A 31 31 ILE HA H 31 3.540 3.837 -0.297 1
1 395 . 6 1 1 A 31 31 ILE C C 31 176.400 177.978 -1.578 1
1 396 . 6 1 1 A 31 31 ILE CA C 31 66.600 64.037 2.563 1
1 397 . 6 1 1 A 31 31 ILE CB C 31 37.800 37.539 0.261 1
1 401 . 6 1 1 A 31 31 ILE N N 31 123.100 118.328 4.772 1
1 402 . 6 1 1 A 32 32 GLU H H 32 8.070 8.107 -0.037 1
1 403 . 6 1 1 A 32 32 GLU HA H 32 3.730 3.985 -0.255 1
1 408 . 6 1 1 A 32 32 GLU C C 32 178.400 178.935 -0.535 1
1 409 . 6 1 1 A 32 32 GLU CA C 32 60.800 59.398 1.402 1
1 410 . 6 1 1 A 32 32 GLU CB C 32 28.800 29.474 -0.674 1
1 412 . 6 1 1 A 32 32 GLU N N 32 120.300 121.463 -1.163 1
1 413 . 6 1 1 A 33 33 LEU H H 33 8.160 7.848 0.312 1
1 414 . 6 1 1 A 33 33 LEU HA H 33 3.980 4.036 -0.056 1
1 424 . 6 1 1 A 33 33 LEU C C 33 180.100 178.368 1.732 1
1 425 . 6 1 1 A 33 33 LEU CA C 33 58.000 58.107 -0.107 1
1 426 . 6 1 1 A 33 33 LEU CB C 33 42.100 41.202 0.898 1
1 430 . 6 1 1 A 33 33 LEU N N 33 117.900 120.261 -2.361 1
1 431 . 6 1 1 A 34 34 ASP H H 34 8.200 8.027 0.173 1
1 432 . 6 1 1 A 34 34 ASP HA H 34 4.290 4.353 -0.063 1
1 435 . 6 1 1 A 34 34 ASP C C 34 178.600 178.356 0.244 1
1 436 . 6 1 1 A 34 34 ASP CA C 34 58.200 57.321 0.879 1
1 437 . 6 1 1 A 34 34 ASP CB C 34 42.800 40.789 2.011 1
1 438 . 6 1 1 A 34 34 ASP N N 34 120.500 119.933 0.567 1
1 439 . 6 1 1 A 35 35 LEU H H 35 8.630 8.495 0.135 1
1 440 . 6 1 1 A 35 35 LEU HA H 35 4.360 4.043 0.317 1
1 450 . 6 1 1 A 35 35 LEU C C 35 179.000 178.681 0.319 1
1 451 . 6 1 1 A 35 35 LEU CA C 35 56.400 57.679 -1.279 1
1 452 . 6 1 1 A 35 35 LEU CB C 35 42.800 41.983 0.817 1
1 456 . 6 1 1 A 35 35 LEU N N 35 121.300 120.412 0.888 1
1 457 . 6 1 1 A 36 36 ARG H H 36 7.410 8.242 -0.832 1
1 458 . 6 1 1 A 36 36 ARG HA H 36 4.050 4.133 -0.083 1
1 465 . 6 1 1 A 36 36 ARG C C 36 177.800 179.375 -1.575 1
1 466 . 6 1 1 A 36 36 ARG CA C 36 59.000 58.699 0.301 1
1 467 . 6 1 1 A 36 36 ARG CB C 36 30.000 30.234 -0.234 1
1 470 . 6 1 1 A 36 36 ARG N N 36 117.000 119.019 -2.019 1
1 471 . 6 1 1 A 37 37 GLY H H 37 7.580 7.711 -0.131 1
1 472 . 6 1 1 A 37 37 GLY HA2 H 37 3.830 3.902 -0.072 1
1 473 . 6 1 1 A 37 37 GLY HA3 H 37 4.280 3.907 0.373 1
1 474 . 6 1 1 A 37 37 GLY C C 37 174.800 173.954 0.846 1
1 475 . 6 1 1 A 37 37 GLY CA C 37 45.200 46.031 -0.831 1
1 476 . 6 1 1 A 37 37 GLY N N 37 103.600 108.406 -4.806 1
1 477 . 6 1 1 A 38 38 SER H H 38 8.380 7.904 0.476 1
1 478 . 6 1 1 A 38 38 SER HA H 38 4.330 4.339 -0.009 1
1 481 . 6 1 1 A 38 38 SER C C 38 175.100 173.271 1.829 1
1 482 . 6 1 1 A 38 38 SER CA C 38 58.700 58.961 -0.261 1
1 483 . 6 1 1 A 38 38 SER CB C 38 63.800 61.705 2.095 1
1 484 . 6 1 1 A 38 38 SER N N 38 117.800 111.246 6.554 1
1 485 . 6 1 1 A 39 39 ASP H H 39 8.520 8.206 0.314 1
1 486 . 6 1 1 A 39 39 ASP HA H 39 4.470 4.923 -0.453 1
1 489 . 6 1 1 A 39 39 ASP C C 39 175.300 174.416 0.884 1
1 490 . 6 1 1 A 39 39 ASP CA C 39 55.400 55.566 -0.166 1
1 491 . 6 1 1 A 39 39 ASP CB C 39 41.500 42.422 -0.922 1
1 492 . 6 1 1 A 39 39 ASP N N 39 120.500 123.659 -3.159 1
1 493 . 6 1 1 A 40 40 ASN H H 40 8.230 7.770 0.460 1
1 494 . 6 1 1 A 40 40 ASN HA H 40 4.800 5.118 -0.318 1
1 499 . 6 1 1 A 40 40 ASN C C 40 174.600 175.294 -0.694 1
1 500 . 6 1 1 A 40 40 ASN CA C 40 52.900 52.324 0.576 1
1 501 . 6 1 1 A 40 40 ASN CB C 40 39.500 42.465 -2.965 1
1 502 . 6 1 1 A 40 40 ASN N N 40 116.100 114.181 1.919 1
1 504 . 6 1 1 A 41 41 ILE H H 41 8.340 8.630 -0.290 1
1 505 . 6 1 1 A 41 41 ILE HA H 41 3.840 3.840 0.000 1
1 515 . 6 1 1 A 41 41 ILE C C 41 175.000 177.255 -2.255 1
1 516 . 6 1 1 A 41 41 ILE CA C 41 62.500 63.526 -1.026 1
1 517 . 6 1 1 A 41 41 ILE CB C 41 37.600 37.720 -0.120 1
1 521 . 6 1 1 A 41 41 ILE N N 41 124.800 126.476 -1.676 1
1 522 . 6 1 1 A 42 42 LYS H H 42 7.790 8.212 -0.422 1
1 523 . 6 1 1 A 42 42 LYS HA H 42 3.780 3.993 -0.213 1
1 532 . 6 1 1 A 42 42 LYS C C 42 178.300 178.686 -0.386 1
1 533 . 6 1 1 A 42 42 LYS CA C 42 60.200 58.673 1.527 1
1 534 . 6 1 1 A 42 42 LYS CB C 42 31.800 31.662 0.138 1
1 538 . 6 1 1 A 42 42 LYS N N 42 122.100 119.896 2.204 1
1 539 . 6 1 1 A 43 43 THR H H 43 7.500 7.725 -0.225 1
1 540 . 6 1 1 A 43 43 THR HA H 43 3.790 3.722 0.068 1
1 545 . 6 1 1 A 43 43 THR C C 43 177.100 175.915 1.185 1
1 546 . 6 1 1 A 43 43 THR CA C 43 65.900 66.560 -0.660 1
1 547 . 6 1 1 A 43 43 THR CB C 43 68.400 68.400 0.000 1
1 549 . 6 1 1 A 43 43 THR N N 43 112.900 117.294 -4.394 1
1 550 . 6 1 1 A 44 44 SER H H 44 7.860 7.910 -0.050 1
1 551 . 6 1 1 A 44 44 SER HA H 44 4.570 4.366 0.204 1
1 554 . 6 1 1 A 44 44 SER C C 44 175.100 175.988 -0.888 1
1 555 . 6 1 1 A 44 44 SER CA C 44 63.600 62.208 1.392 1
1 556 . 6 1 1 A 44 44 SER CB C 44 63.900 63.049 0.851 1
1 557 . 6 1 1 A 44 44 SER N N 44 119.700 117.188 2.512 1
1 558 . 6 1 1 A 45 45 ILE H H 45 8.240 7.906 0.334 1
1 559 . 6 1 1 A 45 45 ILE HA H 45 3.140 3.521 -0.381 1
1 569 . 6 1 1 A 45 45 ILE C C 45 176.500 178.096 -1.596 1
1 570 . 6 1 1 A 45 45 ILE CA C 45 66.200 64.659 1.541 1
1 571 . 6 1 1 A 45 45 ILE CB C 45 37.800 37.561 0.239 1
1 575 . 6 1 1 A 45 45 ILE N N 45 121.300 120.752 0.548 1
1 576 . 6 1 1 A 46 46 ILE H H 46 7.680 7.477 0.203 1
1 577 . 6 1 1 A 46 46 ILE HA H 46 3.480 3.464 0.016 1
1 587 . 6 1 1 A 46 46 ILE C C 46 178.900 177.753 1.147 1
1 588 . 6 1 1 A 46 46 ILE CA C 46 65.300 65.158 0.142 1
1 589 . 6 1 1 A 46 46 ILE CB C 46 37.800 37.675 0.125 1
1 593 . 6 1 1 A 46 46 ILE N N 46 117.100 119.856 -2.756 1
1 594 . 6 1 1 A 47 47 TYR H H 47 8.400 7.566 0.834 1
1 595 . 6 1 1 A 47 47 TYR HA H 47 4.190 4.358 -0.168 1
1 602 . 6 1 1 A 47 47 TYR C C 47 178.700 178.392 0.308 1
1 603 . 6 1 1 A 47 47 TYR CA C 47 61.300 60.618 0.682 1
1 604 . 6 1 1 A 47 47 TYR CB C 47 38.400 38.635 -0.235 1
1 609 . 6 1 1 A 47 47 TYR N N 47 120.900 120.064 0.836 1
1 610 . 6 1 1 A 48 48 VAL H H 48 8.480 8.062 0.418 1
1 611 . 6 1 1 A 48 48 VAL HA H 48 3.560 3.810 -0.250 1
1 619 . 6 1 1 A 48 48 VAL C C 48 179.600 177.770 1.830 1
1 620 . 6 1 1 A 48 48 VAL CA C 48 67.000 66.523 0.477 1
1 621 . 6 1 1 A 48 48 VAL CB C 48 31.700 31.855 -0.155 1
1 624 . 6 1 1 A 48 48 VAL N N 48 121.600 119.880 1.720 1
1 625 . 6 1 1 A 49 49 TYR H H 49 9.630 8.473 1.157 1
1 626 . 6 1 1 A 49 49 TYR HA H 49 4.080 4.106 -0.026 1
1 633 . 6 1 1 A 49 49 TYR C C 49 179.300 178.134 1.166 1
1 634 . 6 1 1 A 49 49 TYR CA C 49 59.900 60.791 -0.891 1
1 635 . 6 1 1 A 49 49 TYR CB C 49 35.300 37.568 -2.268 1
1 640 . 6 1 1 A 49 49 TYR N N 49 122.000 119.405 2.595 1
1 641 . 6 1 1 A 50 50 SER H H 50 8.120 8.345 -0.225 1
1 642 . 6 1 1 A 50 50 SER HA H 50 4.130 4.205 -0.075 1
1 645 . 6 1 1 A 50 50 SER C C 50 175.700 177.078 -1.378 1
1 646 . 6 1 1 A 50 50 SER CA C 50 62.000 61.080 0.920 1
1 647 . 6 1 1 A 50 50 SER CB C 50 62.900 63.055 -0.155 1
1 648 . 6 1 1 A 50 50 SER N N 50 112.600 115.362 -2.762 1
1 649 . 6 1 1 A 51 51 SER H H 51 7.510 7.964 -0.454 1
1 650 . 6 1 1 A 51 51 SER HA H 51 4.350 4.342 0.008 1
1 653 . 6 1 1 A 51 51 SER C C 51 173.600 174.895 -1.295 1
1 654 . 6 1 1 A 51 51 SER CA C 51 59.500 60.368 -0.868 1
1 655 . 6 1 1 A 51 51 SER CB C 51 63.300 63.397 -0.097 1
1 656 . 6 1 1 A 51 51 SER N N 51 116.800 114.557 2.243 1
1 657 . 6 1 1 A 52 52 HIS H H 52 7.590 7.812 -0.222 1
1 658 . 6 1 1 A 52 52 HIS HA H 52 4.890 4.997 -0.107 1
1 663 . 6 1 1 A 52 52 HIS C C 52 175.200 175.586 -0.386 1
1 664 . 6 1 1 A 52 52 HIS CA C 52 54.100 54.916 -0.816 1
1 665 . 6 1 1 A 52 52 HIS CB C 52 29.500 29.527 -0.027 1
1 668 . 6 1 1 A 52 52 HIS N N 52 120.500 116.959 3.541 1
1 669 . 6 1 1 A 53 53 LEU H H 53 7.440 7.824 -0.384 1
1 670 . 6 1 1 A 53 53 LEU HA H 53 3.870 3.781 0.089 1
1 680 . 6 1 1 A 53 53 LEU C C 53 177.900 178.511 -0.611 1
1 681 . 6 1 1 A 53 53 LEU CA C 53 59.100 58.286 0.814 1
1 682 . 6 1 1 A 53 53 LEU CB C 53 42.300 41.297 1.003 1
1 686 . 6 1 1 A 53 53 LEU N N 53 121.400 121.162 0.238 1
1 687 . 6 1 1 A 54 54 ASP H H 54 8.400 8.118 0.282 1
1 688 . 6 1 1 A 54 54 ASP HA H 54 4.290 4.254 0.036 1
1 691 . 6 1 1 A 54 54 ASP C C 54 177.900 179.029 -1.129 1
1 692 . 6 1 1 A 54 54 ASP CA C 54 57.600 57.612 -0.012 1
1 693 . 6 1 1 A 54 54 ASP CB C 54 40.200 42.260 -2.060 1
1 694 . 6 1 1 A 54 54 ASP N N 54 115.900 119.370 -3.470 1
1 695 . 6 1 1 A 55 55 GLU H H 55 7.500 7.680 -0.180 1
1 696 . 6 1 1 A 55 55 GLU HA H 55 4.310 4.212 0.098 1
1 701 . 6 1 1 A 55 55 GLU C C 55 178.300 179.312 -1.012 1
1 702 . 6 1 1 A 55 55 GLU CA C 55 57.800 58.746 -0.946 1
1 703 . 6 1 1 A 55 55 GLU CB C 55 29.100 29.315 -0.215 1
1 705 . 6 1 1 A 55 55 GLU N N 55 120.100 118.892 1.208 1
1 706 . 6 1 1 A 56 56 ILE H H 56 7.720 7.642 0.078 1
1 707 . 6 1 1 A 56 56 ILE HA H 56 3.440 3.034 0.406 1
1 717 . 6 1 1 A 56 56 ILE C C 56 178.600 178.293 0.307 1
1 718 . 6 1 1 A 56 56 ILE CA C 56 62.500 64.846 -2.346 1
1 719 . 6 1 1 A 56 56 ILE CB C 56 36.200 37.566 -1.366 1
1 723 . 6 1 1 A 56 56 ILE N N 56 119.600 120.583 -0.983 1
1 724 . 6 1 1 A 57 57 ARG H H 57 8.200 8.685 -0.485 1
1 725 . 6 1 1 A 57 57 ARG HA H 57 3.930 4.112 -0.182 1
1 732 . 6 1 1 A 57 57 ARG C C 57 178.800 178.756 0.044 1
1 733 . 6 1 1 A 57 57 ARG CA C 57 59.000 58.205 0.795 1
1 734 . 6 1 1 A 57 57 ARG CB C 57 30.100 29.564 0.536 1
1 737 . 6 1 1 A 57 57 ARG N N 57 115.500 120.940 -5.440 1
1 738 . 6 1 1 A 58 58 LYS H H 58 7.400 7.471 -0.071 1
1 739 . 6 1 1 A 58 58 LYS HA H 58 4.210 4.078 0.132 1
1 748 . 6 1 1 A 58 58 LYS C C 58 176.800 176.970 -0.170 1
1 749 . 6 1 1 A 58 58 LYS CA C 58 58.100 59.025 -0.925 1
1 750 . 6 1 1 A 58 58 LYS CB C 58 33.100 32.952 0.148 1
1 754 . 6 1 1 A 58 58 LYS N N 58 117.400 120.111 -2.711 1
1 755 . 6 1 1 A 59 59 ASN H H 59 7.630 7.679 -0.049 1
1 756 . 6 1 1 A 59 59 ASN HA H 59 5.310 5.260 0.050 1
1 761 . 6 1 1 A 59 59 ASN C C 59 174.900 175.020 -0.120 1
1 762 . 6 1 1 A 59 59 ASN CA C 59 52.100 52.344 -0.244 1
1 763 . 6 1 1 A 59 59 ASN CB C 59 40.200 39.137 1.063 1
1 764 . 6 1 1 A 59 59 ASN N N 59 119.200 115.582 3.618 1
1 766 . 6 1 1 A 60 60 LYS H H 60 7.460 8.415 -0.955 1
1 767 . 6 1 1 A 60 60 LYS HA H 60 4.070 4.428 -0.358 1
1 776 . 6 1 1 A 60 60 LYS C C 60 177.900 178.438 -0.538 1
1 777 . 6 1 1 A 60 60 LYS CA C 60 61.100 59.522 1.578 1
1 778 . 6 1 1 A 60 60 LYS CB C 60 33.300 31.970 1.330 1
1 782 . 6 1 1 A 60 60 LYS N N 60 122.700 119.080 3.620 1
1 783 . 6 1 1 A 61 61 GLU H H 61 8.660 8.019 0.641 1
1 784 . 6 1 1 A 61 61 GLU HA H 61 4.080 4.010 0.070 1
1 789 . 6 1 1 A 61 61 GLU C C 61 178.900 178.709 0.191 1
1 790 . 6 1 1 A 61 61 GLU CA C 61 60.100 59.068 1.032 1
1 791 . 6 1 1 A 61 61 GLU CB C 61 29.100 29.227 -0.127 1
1 793 . 6 1 1 A 61 61 GLU N N 61 117.300 119.791 -2.491 1
1 794 . 6 1 1 A 62 62 PHE H H 62 7.670 8.075 -0.405 1
1 795 . 6 1 1 A 62 62 PHE HA H 62 3.420 3.976 -0.556 1
1 803 . 6 1 1 A 62 62 PHE C C 62 176.200 176.867 -0.667 1
1 804 . 6 1 1 A 62 62 PHE CA C 62 60.900 61.290 -0.390 1
1 805 . 6 1 1 A 62 62 PHE CB C 62 38.300 38.950 -0.650 1
1 811 . 6 1 1 A 62 62 PHE N N 62 119.300 120.936 -1.636 1
1 812 . 6 1 1 A 63 63 TYR H H 63 7.850 8.269 -0.419 1
1 813 . 6 1 1 A 63 63 TYR HA H 63 3.870 4.021 -0.151 1
1 820 . 6 1 1 A 63 63 TYR C C 63 180.200 177.517 2.683 1
1 821 . 6 1 1 A 63 63 TYR CA C 63 63.500 62.001 1.499 1
1 822 . 6 1 1 A 63 63 TYR CB C 63 37.100 37.460 -0.360 1
1 827 . 6 1 1 A 63 63 TYR N N 63 116.500 117.699 -1.199 1
1 828 . 6 1 1 A 64 64 ASP H H 64 9.110 8.529 0.581 1
1 829 . 6 1 1 A 64 64 ASP HA H 64 4.650 4.398 0.252 1
1 832 . 6 1 1 A 64 64 ASP C C 64 178.700 178.426 0.274 1
1 833 . 6 1 1 A 64 64 ASP CA C 64 57.600 57.600 0.000 1
1 834 . 6 1 1 A 64 64 ASP CB C 64 39.800 41.221 -1.421 1
1 835 . 6 1 1 A 64 64 ASP N N 64 126.100 120.753 5.347 1
1 836 . 6 1 1 A 65 65 MET H H 65 7.600 8.153 -0.553 1
1 837 . 6 1 1 A 65 65 MET HA H 65 4.140 4.159 -0.019 1
1 845 . 6 1 1 A 65 65 MET C C 65 178.800 178.047 0.753 1
1 846 . 6 1 1 A 65 65 MET CA C 65 59.300 58.592 0.708 1
1 847 . 6 1 1 A 65 65 MET CB C 65 32.800 32.995 -0.195 1
1 850 . 6 1 1 A 65 65 MET N N 65 121.100 117.684 3.416 1
1 851 . 6 1 1 A 66 66 ILE H H 66 7.910 7.963 -0.053 1
1 852 . 6 1 1 A 66 66 ILE HA H 66 3.430 3.800 -0.370 1
1 862 . 6 1 1 A 66 66 ILE C C 66 177.000 177.943 -0.943 1
1 863 . 6 1 1 A 66 66 ILE CA C 66 64.500 64.185 0.315 1
1 864 . 6 1 1 A 66 66 ILE CB C 66 36.700 37.372 -0.672 1
1 868 . 6 1 1 A 66 66 ILE N N 66 116.900 116.372 0.528 1
1 869 . 6 1 1 A 67 67 ALA H H 67 7.660 8.505 -0.845 1
1 870 . 6 1 1 A 67 67 ALA HA H 67 3.940 3.900 0.040 1
1 874 . 6 1 1 A 67 67 ALA C C 67 180.200 179.535 0.665 1
1 875 . 6 1 1 A 67 67 ALA CA C 67 55.600 55.304 0.296 1
1 876 . 6 1 1 A 67 67 ALA CB C 67 18.000 18.081 -0.081 1
1 877 . 6 1 1 A 67 67 ALA N N 67 120.700 123.418 -2.718 1
1 878 . 6 1 1 A 68 68 GLU H H 68 7.660 7.628 0.032 1
1 879 . 6 1 1 A 68 68 GLU HA H 68 4.040 4.056 -0.016 1
1 884 . 6 1 1 A 68 68 GLU C C 68 179.000 179.089 -0.089 1
1 885 . 6 1 1 A 68 68 GLU CA C 68 59.300 59.343 -0.043 1
1 886 . 6 1 1 A 68 68 GLU CB C 68 29.500 29.367 0.133 1
1 888 . 6 1 1 A 68 68 GLU N N 68 118.700 118.709 -0.009 1
1 889 . 6 1 1 A 69 69 ILE H H 69 8.240 8.017 0.223 1
1 890 . 6 1 1 A 69 69 ILE HA H 69 3.630 3.812 -0.182 1
1 900 . 6 1 1 A 69 69 ILE C C 69 178.200 178.491 -0.291 1
1 901 . 6 1 1 A 69 69 ILE CA C 69 65.700 65.406 0.294 1
1 902 . 6 1 1 A 69 69 ILE CB C 69 38.100 37.651 0.449 1
1 906 . 6 1 1 A 69 69 ILE N N 69 120.700 119.466 1.234 1
1 907 . 6 1 1 A 70 70 LEU H H 70 8.770 8.942 -0.172 1
1 908 . 6 1 1 A 70 70 LEU HA H 70 3.960 3.910 0.050 1
1 918 . 6 1 1 A 70 70 LEU C C 70 179.300 179.512 -0.212 1
1 919 . 6 1 1 A 70 70 LEU CA C 70 59.100 58.377 0.723 1
1 920 . 6 1 1 A 70 70 LEU CB C 70 43.000 41.688 1.312 1
1 924 . 6 1 1 A 70 70 LEU N N 70 119.100 120.652 -1.552 1
1 925 . 6 1 1 A 71 71 GLN H H 71 7.660 7.805 -0.145 1
1 926 . 6 1 1 A 71 71 GLN HA H 71 3.960 4.129 -0.169 1
1 933 . 6 1 1 A 71 71 GLN C C 71 177.700 178.860 -1.160 1
1 934 . 6 1 1 A 71 71 GLN CA C 71 59.800 59.332 0.468 1
1 935 . 6 1 1 A 71 71 GLN CB C 71 30.000 28.477 1.523 1
1 937 . 6 1 1 A 71 71 GLN N N 71 114.200 117.930 -3.730 1
1 939 . 6 1 1 A 72 72 ARG H H 72 8.180 7.863 0.317 1
1 940 . 6 1 1 A 72 72 ARG HA H 72 4.000 3.905 0.095 1
1 947 . 6 1 1 A 72 72 ARG C C 72 178.900 177.608 1.292 1
1 948 . 6 1 1 A 72 72 ARG CA C 72 58.900 58.886 0.014 1
1 949 . 6 1 1 A 72 72 ARG CB C 72 31.100 29.603 1.497 1
1 952 . 6 1 1 A 72 72 ARG N N 72 118.300 120.484 -2.184 1
1 953 . 6 1 1 A 73 73 TYR H H 73 7.970 7.914 0.056 1
1 954 . 6 1 1 A 73 73 TYR HA H 73 4.800 4.427 0.373 1
1 961 . 6 1 1 A 73 73 TYR C C 73 178.000 177.395 0.605 1
1 962 . 6 1 1 A 73 73 TYR CA C 73 60.100 59.472 0.628 1
1 963 . 6 1 1 A 73 73 TYR CB C 73 41.200 39.704 1.496 1
1 968 . 6 1 1 A 73 73 TYR N N 73 111.500 117.652 -6.152 1
1 969 . 6 1 1 A 74 74 TYR H H 74 8.750 8.205 0.545 1
1 970 . 6 1 1 A 74 74 TYR HA H 74 4.080 4.211 -0.131 1
1 977 . 6 1 1 A 74 74 TYR C C 74 176.600 177.427 -0.827 1
1 978 . 6 1 1 A 74 74 TYR CA C 74 62.400 61.441 0.959 1
1 979 . 6 1 1 A 74 74 TYR CB C 74 36.100 38.629 -2.529 1
1 984 . 6 1 1 A 74 74 TYR N N 74 121.500 120.889 0.611 1
1 985 . 6 1 1 A 75 75 LYS H H 75 7.760 7.493 0.267 1
1 986 . 6 1 1 A 75 75 LYS HA H 75 3.710 3.737 -0.027 1
1 995 . 6 1 1 A 75 75 LYS C C 75 177.500 177.761 -0.261 1
1 996 . 6 1 1 A 75 75 LYS CA C 75 57.600 57.795 -0.195 1
1 997 . 6 1 1 A 75 75 LYS CB C 75 31.800 32.393 -0.593 1
1 1001 . 6 1 1 A 75 75 LYS N N 75 120.300 117.721 2.579 1
1 1002 . 6 1 1 A 76 76 LYS H H 76 7.510 7.967 -0.457 1
1 1003 . 6 1 1 A 76 76 LYS HA H 76 4.230 4.187 0.043 1
1 1012 . 6 1 1 A 76 76 LYS C C 76 177.900 177.728 0.172 1
1 1013 . 6 1 1 A 76 76 LYS CA C 76 58.300 58.059 0.241 1
1 1014 . 6 1 1 A 76 76 LYS CB C 76 33.700 33.070 0.630 1
1 1018 . 6 1 1 A 76 76 LYS N N 76 118.000 119.582 -1.582 1
1 1019 . 6 1 1 A 77 77 ILE H H 77 7.610 8.413 -0.803 1
1 1020 . 6 1 1 A 77 77 ILE HA H 77 4.670 4.434 0.236 1
1 1030 . 6 1 1 A 77 77 ILE C C 77 176.000 175.958 0.042 1
1 1031 . 6 1 1 A 77 77 ILE CA C 77 60.600 60.977 -0.377 1
1 1032 . 6 1 1 A 77 77 ILE CB C 77 39.700 40.083 -0.383 1
1 1036 . 6 1 1 A 77 77 ILE N N 77 108.200 111.961 -3.761 1
1 1037 . 6 1 1 A 78 78 GLY H H 78 7.390 7.399 -0.009 1
1 1038 . 6 1 1 A 78 78 GLY HA2 H 78 4.730 4.150 0.580 1
1 1039 . 6 1 1 A 78 78 GLY HA3 H 78 3.970 4.150 -0.180 1
1 1040 . 6 1 1 A 78 78 GLY C C 78 175.800 174.975 0.825 1
1 1041 . 6 1 1 A 78 78 GLY CA C 78 44.900 44.647 0.253 1
1 1042 . 6 1 1 A 78 78 GLY N N 78 112.200 110.154 2.046 1
1 1043 . 6 1 1 A 79 79 ILE H H 79 9.030 8.844 0.186 1
1 1044 . 6 1 1 A 79 79 ILE HA H 79 4.080 4.031 0.049 1
1 1054 . 6 1 1 A 79 79 ILE C C 79 174.700 177.946 -3.246 1
1 1055 . 6 1 1 A 79 79 ILE CA C 79 62.900 63.277 -0.377 1
1 1056 . 6 1 1 A 79 79 ILE CB C 79 38.600 38.010 0.590 1
1 1060 . 6 1 1 A 79 79 ILE N N 79 125.700 121.870 3.830 1
1 1061 . 6 1 1 A 80 80 GLU H H 80 9.480 8.501 0.979 1
1 1062 . 6 1 1 A 80 80 GLU HA H 80 4.070 3.948 0.122 1
1 1067 . 6 1 1 A 80 80 GLU C C 80 179.200 179.476 -0.276 1
1 1068 . 6 1 1 A 80 80 GLU CA C 80 59.700 59.981 -0.281 1
1 1069 . 6 1 1 A 80 80 GLU CB C 80 28.100 29.434 -1.334 1
1 1071 . 6 1 1 A 80 80 GLU N N 80 122.400 121.863 0.537 1
1 1072 . 6 1 1 A 81 81 ASN H H 81 7.570 8.187 -0.617 1
1 1073 . 6 1 1 A 81 81 ASN HA H 81 4.580 4.512 0.068 1
1 1078 . 6 1 1 A 81 81 ASN C C 81 177.600 177.941 -0.341 1
1 1079 . 6 1 1 A 81 81 ASN CA C 81 55.600 56.328 -0.728 1
1 1080 . 6 1 1 A 81 81 ASN CB C 81 37.900 38.701 -0.801 1
1 1081 . 6 1 1 A 81 81 ASN N N 81 117.000 118.034 -1.034 1
1 1083 . 6 1 1 A 82 82 VAL H H 82 8.180 8.097 0.083 1
1 1084 . 6 1 1 A 82 82 VAL HA H 82 3.590 3.489 0.101 1
1 1092 . 6 1 1 A 82 82 VAL C C 82 176.900 177.780 -0.880 1
1 1093 . 6 1 1 A 82 82 VAL CA C 82 66.800 66.604 0.196 1
1 1094 . 6 1 1 A 82 82 VAL CB C 82 31.100 31.708 -0.608 1
1 1097 . 6 1 1 A 82 82 VAL N N 82 120.900 120.380 0.520 1
1 1098 . 6 1 1 A 83 83 ASN H H 83 8.440 8.779 -0.339 1
1 1099 . 6 1 1 A 83 83 ASN HA H 83 4.440 4.452 -0.012 1
1 1104 . 6 1 1 A 83 83 ASN C C 83 177.700 177.682 0.018 1
1 1105 . 6 1 1 A 83 83 ASN CA C 83 56.000 56.520 -0.520 1
1 1106 . 6 1 1 A 83 83 ASN CB C 83 37.000 37.545 -0.545 1
1 1107 . 6 1 1 A 83 83 ASN N N 83 120.500 119.007 1.493 1
1 1109 . 6 1 1 A 84 84 GLN H H 84 7.550 7.554 -0.004 1
1 1110 . 6 1 1 A 84 84 GLN HA H 84 4.050 4.100 -0.050 1
1 1117 . 6 1 1 A 84 84 GLN C C 84 179.000 178.648 0.352 1
1 1118 . 6 1 1 A 84 84 GLN CA C 84 58.900 58.701 0.199 1
1 1119 . 6 1 1 A 84 84 GLN CB C 84 28.300 28.220 0.080 1
1 1121 . 6 1 1 A 84 84 GLN N N 84 116.900 119.456 -2.556 1
1 1123 . 6 1 1 A 85 85 LEU H H 85 7.990 8.049 -0.059 1
1 1124 . 6 1 1 A 85 85 LEU HA H 85 4.080 4.077 0.003 1
1 1134 . 6 1 1 A 85 85 LEU C C 85 180.400 179.352 1.048 1
1 1135 . 6 1 1 A 85 85 LEU CA C 85 58.200 58.021 0.179 1
1 1136 . 6 1 1 A 85 85 LEU CB C 85 41.700 41.355 0.345 1
1 1140 . 6 1 1 A 85 85 LEU N N 85 121.300 119.304 1.996 1
1 1141 . 6 1 1 A 86 86 ILE H H 86 8.630 8.495 0.135 1
1 1142 . 6 1 1 A 86 86 ILE HA H 86 3.560 3.677 -0.117 1
1 1152 . 6 1 1 A 86 86 ILE C C 86 177.700 178.611 -0.911 1
1 1153 . 6 1 1 A 86 86 ILE CA C 86 66.600 64.940 1.660 1
1 1154 . 6 1 1 A 86 86 ILE CB C 86 37.800 36.886 0.914 1
1 1158 . 6 1 1 A 86 86 ILE N N 86 122.000 120.529 1.471 1
1 1159 . 6 1 1 A 87 87 LEU H H 87 8.200 8.005 0.195 1
1 1160 . 6 1 1 A 87 87 LEU HA H 87 4.010 4.072 -0.062 1
1 1170 . 6 1 1 A 87 87 LEU C C 87 179.000 179.528 -0.528 1
1 1171 . 6 1 1 A 87 87 LEU CA C 87 58.200 58.043 0.157 1
1 1172 . 6 1 1 A 87 87 LEU CB C 87 40.800 41.695 -0.895 1
1 1176 . 6 1 1 A 87 87 LEU N N 87 118.300 119.035 -0.735 1
1 1177 . 6 1 1 A 88 88 THR H H 88 8.420 8.293 0.127 1
1 1178 . 6 1 1 A 88 88 THR HA H 88 4.000 3.998 0.002 1
1 1183 . 6 1 1 A 88 88 THR C C 88 176.300 177.066 -0.766 1
1 1184 . 6 1 1 A 88 88 THR CA C 88 66.500 66.008 0.492 1
1 1185 . 6 1 1 A 88 88 THR CB C 88 69.400 68.370 1.030 1
1 1187 . 6 1 1 A 88 88 THR N N 88 112.700 116.087 -3.387 1
1 1188 . 6 1 1 A 89 89 THR H H 89 7.690 8.070 -0.380 1
1 1189 . 6 1 1 A 89 89 THR HA H 89 4.040 3.872 0.168 1
1 1194 . 6 1 1 A 89 89 THR C C 89 175.500 176.878 -1.378 1
1 1195 . 6 1 1 A 89 89 THR CA C 89 67.100 66.997 0.103 1
1 1196 . 6 1 1 A 89 89 THR CB C 89 68.500 67.965 0.535 1
1 1198 . 6 1 1 A 89 89 THR N N 89 116.600 117.853 -1.253 1
1 1199 . 6 1 1 A 90 90 ILE H H 90 8.330 7.543 0.787 1
1 1200 . 6 1 1 A 90 90 ILE HA H 90 4.420 3.996 0.424 1
1 1210 . 6 1 1 A 90 90 ILE C C 90 175.700 175.650 0.050 1
1 1211 . 6 1 1 A 90 90 ILE CA C 90 62.000 63.995 -1.995 1
1 1212 . 6 1 1 A 90 90 ILE CB C 90 38.500 37.688 0.812 1
1 1216 . 6 1 1 A 90 90 ILE N N 90 125.300 113.503 11.797 1
1 1217 . 6 1 1 A 91 91 LYS H H 91 7.450 7.589 -0.139 1
1 1218 . 6 1 1 A 91 91 LYS HA H 91 3.970 4.609 -0.639 1
1 1227 . 6 1 1 A 91 91 LYS CA C 91 57.200 55.321 1.879 1
1 1228 . 6 1 1 A 91 91 LYS CB C 91 32.900 34.019 -1.119 1
1 1 . 7 1 1 A 3 3 ILE H H 3 8.310 7.882 0.428 1
1 2 . 7 1 1 A 3 3 ILE HA H 3 3.740 3.909 -0.169 1
1 12 . 7 1 1 A 3 3 ILE C C 3 175.200 176.646 -1.446 1
1 13 . 7 1 1 A 3 3 ILE CA C 3 64.200 61.704 2.496 1
1 14 . 7 1 1 A 3 3 ILE CB C 3 37.400 41.032 -3.632 1
1 18 . 7 1 1 A 3 3 ILE N N 3 124.900 124.243 0.657 1
1 19 . 7 1 1 A 4 4 LEU H H 4 7.270 7.930 -0.660 1
1 20 . 7 1 1 A 4 4 LEU HA H 4 3.680 4.351 -0.671 1
1 30 . 7 1 1 A 4 4 LEU C C 4 177.300 177.408 -0.108 1
1 31 . 7 1 1 A 4 4 LEU CA C 4 56.300 55.138 1.162 1
1 32 . 7 1 1 A 4 4 LEU CB C 4 41.100 41.194 -0.094 1
1 36 . 7 1 1 A 4 4 LEU N N 4 116.100 121.207 -5.107 1
1 37 . 7 1 1 A 5 5 GLU H H 5 7.350 8.119 -0.769 1
1 38 . 7 1 1 A 5 5 GLU HA H 5 4.290 4.436 -0.146 1
1 43 . 7 1 1 A 5 5 GLU C C 5 176.300 175.440 0.860 1
1 44 . 7 1 1 A 5 5 GLU CA C 5 55.200 56.899 -1.699 1
1 45 . 7 1 1 A 5 5 GLU CB C 5 30.000 30.087 -0.087 1
1 47 . 7 1 1 A 5 5 GLU N N 5 114.200 117.259 -3.059 1
1 48 . 7 1 1 A 6 6 ASP H H 6 7.860 7.737 0.123 1
1 49 . 7 1 1 A 6 6 ASP HA H 6 4.830 5.063 -0.233 1
1 52 . 7 1 1 A 6 6 ASP C C 6 175.500 175.455 0.045 1
1 53 . 7 1 1 A 6 6 ASP CA C 6 53.000 50.539 2.461 1
1 54 . 7 1 1 A 6 6 ASP CB C 6 40.800 43.849 -3.049 1
1 55 . 7 1 1 A 6 6 ASP N N 6 125.000 120.775 4.225 1
1 56 . 7 1 1 A 7 7 PRO HA H 7 4.240 4.434 -0.194 1
1 63 . 7 1 1 A 7 7 PRO C C 7 179.000 178.143 0.857 1
1 64 . 7 1 1 A 7 7 PRO CA C 7 65.700 64.748 0.952 1
1 65 . 7 1 1 A 7 7 PRO CB C 7 32.300 32.168 0.132 1
1 68 . 7 1 1 A 8 8 GLU H H 8 9.250 8.434 0.816 1
1 69 . 7 1 1 A 8 8 GLU HA H 8 4.120 4.091 0.029 1
1 74 . 7 1 1 A 8 8 GLU C C 8 178.100 178.834 -0.734 1
1 75 . 7 1 1 A 8 8 GLU CA C 8 60.000 59.140 0.860 1
1 76 . 7 1 1 A 8 8 GLU CB C 8 29.200 29.304 -0.104 1
1 78 . 7 1 1 A 8 8 GLU N N 8 117.600 118.405 -0.805 1
1 79 . 7 1 1 A 9 9 PHE H H 9 7.640 7.918 -0.278 1
1 80 . 7 1 1 A 9 9 PHE HA H 9 4.130 4.014 0.116 1
1 87 . 7 1 1 A 9 9 PHE C C 9 178.600 177.127 1.473 1
1 88 . 7 1 1 A 9 9 PHE CA C 9 62.200 61.320 0.880 1
1 89 . 7 1 1 A 9 9 PHE CB C 9 40.400 39.272 1.128 1
1 94 . 7 1 1 A 9 9 PHE N N 9 118.200 121.900 -3.700 1
1 95 . 7 1 1 A 10 10 VAL H H 10 8.220 7.956 0.264 1
1 96 . 7 1 1 A 10 10 VAL HA H 10 3.590 3.710 -0.120 1
1 104 . 7 1 1 A 10 10 VAL C C 10 179.400 177.700 1.700 1
1 105 . 7 1 1 A 10 10 VAL CA C 10 66.800 64.549 2.251 1
1 106 . 7 1 1 A 10 10 VAL CB C 10 31.700 31.080 0.620 1
1 109 . 7 1 1 A 10 10 VAL N N 10 120.300 118.693 1.607 1
1 110 . 7 1 1 A 11 11 LYS H H 11 7.760 7.607 0.153 1
1 111 . 7 1 1 A 11 11 LYS HA H 11 4.050 3.996 0.054 1
1 120 . 7 1 1 A 11 11 LYS C C 11 179.000 179.417 -0.417 1
1 121 . 7 1 1 A 11 11 LYS CA C 11 59.300 59.570 -0.270 1
1 122 . 7 1 1 A 11 11 LYS CB C 11 32.600 31.897 0.703 1
1 126 . 7 1 1 A 11 11 LYS N N 11 119.600 122.368 -2.768 1
1 127 . 7 1 1 A 12 12 LEU H H 12 7.750 8.243 -0.493 1
1 128 . 7 1 1 A 12 12 LEU HA H 12 4.190 3.960 0.230 1
1 138 . 7 1 1 A 12 12 LEU C C 12 178.400 179.233 -0.833 1
1 139 . 7 1 1 A 12 12 LEU CA C 12 57.800 57.982 -0.182 1
1 140 . 7 1 1 A 12 12 LEU CB C 12 41.900 41.235 0.665 1
1 144 . 7 1 1 A 12 12 LEU N N 12 119.900 120.425 -0.525 1
1 145 . 7 1 1 A 13 13 ARG H H 13 7.600 7.594 0.006 1
1 146 . 7 1 1 A 13 13 ARG HA H 13 3.940 3.767 0.173 1
1 153 . 7 1 1 A 13 13 ARG C C 13 178.600 178.531 0.069 1
1 154 . 7 1 1 A 13 13 ARG CA C 13 59.000 59.506 -0.506 1
1 155 . 7 1 1 A 13 13 ARG CB C 13 30.200 29.434 0.766 1
1 158 . 7 1 1 A 13 13 ARG N N 13 115.300 120.335 -5.035 1
1 159 . 7 1 1 A 14 14 GLN H H 14 7.770 7.594 0.176 1
1 160 . 7 1 1 A 14 14 GLN HA H 14 4.130 4.147 -0.017 1
1 167 . 7 1 1 A 14 14 GLN C C 14 176.500 178.307 -1.807 1
1 168 . 7 1 1 A 14 14 GLN CA C 14 57.100 58.435 -1.335 1
1 169 . 7 1 1 A 14 14 GLN CB C 14 28.200 28.798 -0.598 1
1 171 . 7 1 1 A 14 14 GLN N N 14 116.400 118.263 -1.863 1
1 173 . 7 1 1 A 15 15 PHE H H 15 8.030 8.625 -0.595 1
1 174 . 7 1 1 A 15 15 PHE HA H 15 4.220 4.125 0.095 1
1 181 . 7 1 1 A 15 15 PHE C C 15 175.200 175.438 -0.238 1
1 182 . 7 1 1 A 15 15 PHE CA C 15 59.100 61.346 -2.246 1
1 183 . 7 1 1 A 15 15 PHE CB C 15 38.800 39.074 -0.274 1
1 188 . 7 1 1 A 15 15 PHE N N 15 116.800 122.354 -5.554 1
1 189 . 7 1 1 A 16 16 LYS H H 16 7.470 8.393 -0.923 1
1 190 . 7 1 1 A 16 16 LYS HA H 16 4.190 3.938 0.252 1
1 191 . 7 1 1 A 16 16 LYS CA C 16 58.400 57.291 1.109 1
1 192 . 7 1 1 A 16 16 LYS CB C 16 33.300 31.460 1.840 1
1 193 . 7 1 1 A 16 16 LYS N N 16 122.500 118.539 3.961 1
1 194 . 7 1 1 A 17 17 GLY HA2 H 17 3.920 3.655 0.265 1
1 195 . 7 1 1 A 17 17 GLY HA3 H 17 4.210 3.738 0.472 1
1 196 . 7 1 1 A 17 17 GLY C C 17 174.300 175.014 -0.714 1
1 197 . 7 1 1 A 17 17 GLY CA C 17 46.200 46.936 -0.736 1
1 198 . 7 1 1 A 18 18 LYS H H 18 8.230 8.076 0.154 1
1 199 . 7 1 1 A 18 18 LYS HA H 18 4.550 3.735 0.815 1
1 208 . 7 1 1 A 18 18 LYS C C 18 175.800 174.859 0.941 1
1 209 . 7 1 1 A 18 18 LYS CA C 18 56.100 57.521 -1.421 1
1 210 . 7 1 1 A 18 18 LYS CB C 18 33.700 29.583 4.117 1
1 214 . 7 1 1 A 18 18 LYS N N 18 118.100 120.742 -2.642 1
1 215 . 7 1 1 A 19 19 VAL H H 19 7.150 7.404 -0.254 1
1 216 . 7 1 1 A 19 19 VAL HA H 19 4.400 4.828 -0.428 1
1 224 . 7 1 1 A 19 19 VAL CA C 19 58.800 58.249 0.551 1
1 225 . 7 1 1 A 19 19 VAL CB C 19 34.300 35.147 -0.847 1
1 228 . 7 1 1 A 19 19 VAL N N 19 111.100 114.520 -3.420 1
1 229 . 7 1 1 A 20 20 ASN HA H 20 4.660 4.966 -0.306 1
1 234 . 7 1 1 A 20 20 ASN C C 20 174.600 175.987 -1.387 1
1 235 . 7 1 1 A 20 20 ASN CA C 20 52.700 52.771 -0.071 1
1 236 . 7 1 1 A 20 20 ASN CB C 20 37.900 39.161 -1.261 1
1 238 . 7 1 1 A 21 21 PHE H H 21 8.580 9.068 -0.488 1
1 239 . 7 1 1 A 21 21 PHE HA H 21 3.730 4.046 -0.316 1
1 247 . 7 1 1 A 21 21 PHE C C 21 175.300 177.372 -2.072 1
1 248 . 7 1 1 A 21 21 PHE CA C 21 62.500 62.041 0.459 1
1 249 . 7 1 1 A 21 21 PHE CB C 21 40.400 39.431 0.969 1
1 255 . 7 1 1 A 21 21 PHE N N 21 128.200 127.480 0.720 1
1 256 . 7 1 1 A 22 22 ASN H H 22 8.220 8.264 -0.044 1
1 257 . 7 1 1 A 22 22 ASN HA H 22 4.300 4.416 -0.116 1
1 262 . 7 1 1 A 22 22 ASN C C 22 177.800 178.002 -0.202 1
1 263 . 7 1 1 A 22 22 ASN CA C 22 56.400 56.460 -0.060 1
1 264 . 7 1 1 A 22 22 ASN CB C 22 37.900 37.757 0.143 1
1 265 . 7 1 1 A 22 22 ASN N N 22 114.600 117.836 -3.236 1
1 267 . 7 1 1 A 23 23 LEU H H 23 7.440 7.775 -0.335 1
1 268 . 7 1 1 A 23 23 LEU HA H 23 4.190 4.051 0.139 1
1 278 . 7 1 1 A 23 23 LEU C C 23 177.800 178.702 -0.902 1
1 279 . 7 1 1 A 23 23 LEU CA C 23 56.900 57.708 -0.808 1
1 280 . 7 1 1 A 23 23 LEU CB C 23 41.400 41.927 -0.527 1
1 284 . 7 1 1 A 23 23 LEU N N 23 122.500 120.728 1.772 1
1 285 . 7 1 1 A 24 24 VAL H H 24 7.930 8.043 -0.113 1
1 286 . 7 1 1 A 24 24 VAL HA H 24 3.560 3.572 -0.012 1
1 294 . 7 1 1 A 24 24 VAL C C 24 177.500 177.692 -0.192 1
1 295 . 7 1 1 A 24 24 VAL CA C 24 67.200 67.204 -0.004 1
1 296 . 7 1 1 A 24 24 VAL CB C 24 31.000 31.273 -0.273 1
1 299 . 7 1 1 A 24 24 VAL N N 24 119.400 118.914 0.486 1
1 300 . 7 1 1 A 25 25 MET H H 25 8.020 8.117 -0.097 1
1 301 . 7 1 1 A 25 25 MET HA H 25 3.640 3.933 -0.293 1
1 309 . 7 1 1 A 25 25 MET C C 25 176.800 178.095 -1.295 1
1 310 . 7 1 1 A 25 25 MET CA C 25 60.000 58.330 1.670 1
1 311 . 7 1 1 A 25 25 MET CB C 25 32.900 31.353 1.547 1
1 314 . 7 1 1 A 25 25 MET N N 25 116.600 119.432 -2.832 1
1 315 . 7 1 1 A 26 26 GLN H H 26 7.530 7.524 0.006 1
1 316 . 7 1 1 A 26 26 GLN HA H 26 4.050 4.125 -0.075 1
1 323 . 7 1 1 A 26 26 GLN C C 26 177.800 178.423 -0.623 1
1 324 . 7 1 1 A 26 26 GLN CA C 26 59.100 58.807 0.293 1
1 325 . 7 1 1 A 26 26 GLN CB C 26 28.100 28.367 -0.267 1
1 327 . 7 1 1 A 26 26 GLN N N 26 118.200 118.580 -0.380 1
1 329 . 7 1 1 A 27 27 ILE H H 27 8.230 8.315 -0.085 1
1 330 . 7 1 1 A 27 27 ILE HA H 27 3.350 3.486 -0.136 1
1 340 . 7 1 1 A 27 27 ILE C C 27 177.700 178.482 -0.782 1
1 341 . 7 1 1 A 27 27 ILE CA C 27 65.900 65.960 -0.060 1
1 342 . 7 1 1 A 27 27 ILE CB C 27 37.900 37.995 -0.095 1
1 346 . 7 1 1 A 27 27 ILE N N 27 120.700 120.506 0.194 1
1 347 . 7 1 1 A 28 28 LEU H H 28 8.550 8.248 0.302 1
1 348 . 7 1 1 A 28 28 LEU HA H 28 4.020 3.982 0.038 1
1 358 . 7 1 1 A 28 28 LEU C C 28 179.900 178.961 0.939 1
1 359 . 7 1 1 A 28 28 LEU CA C 28 58.400 58.225 0.175 1
1 360 . 7 1 1 A 28 28 LEU CB C 28 39.700 40.880 -1.180 1
1 364 . 7 1 1 A 28 28 LEU N N 28 118.900 119.104 -0.204 1
1 365 . 7 1 1 A 29 29 ASP H H 29 8.470 8.185 0.285 1
1 366 . 7 1 1 A 29 29 ASP HA H 29 4.440 4.249 0.191 1
1 369 . 7 1 1 A 29 29 ASP C C 29 179.600 178.282 1.318 1
1 370 . 7 1 1 A 29 29 ASP CA C 29 57.400 57.931 -0.531 1
1 371 . 7 1 1 A 29 29 ASP CB C 29 40.400 41.358 -0.958 1
1 372 . 7 1 1 A 29 29 ASP N N 29 120.700 119.413 1.287 1
1 373 . 7 1 1 A 30 30 GLU H H 30 8.630 8.780 -0.150 1
1 374 . 7 1 1 A 30 30 GLU HA H 30 3.980 4.095 -0.115 1
1 379 . 7 1 1 A 30 30 GLU C C 30 180.600 178.763 1.837 1
1 380 . 7 1 1 A 30 30 GLU CA C 30 60.000 59.198 0.802 1
1 381 . 7 1 1 A 30 30 GLU CB C 30 29.900 29.600 0.300 1
1 383 . 7 1 1 A 30 30 GLU N N 30 120.800 118.764 2.036 1
1 384 . 7 1 1 A 31 31 ILE H H 31 8.520 7.689 0.831 1
1 385 . 7 1 1 A 31 31 ILE HA H 31 3.540 3.890 -0.350 1
1 395 . 7 1 1 A 31 31 ILE C C 31 176.400 178.013 -1.613 1
1 396 . 7 1 1 A 31 31 ILE CA C 31 66.600 63.987 2.613 1
1 397 . 7 1 1 A 31 31 ILE CB C 31 37.800 37.537 0.263 1
1 401 . 7 1 1 A 31 31 ILE N N 31 123.100 120.055 3.045 1
1 402 . 7 1 1 A 32 32 GLU H H 32 8.070 8.512 -0.442 1
1 403 . 7 1 1 A 32 32 GLU HA H 32 3.730 4.018 -0.288 1
1 408 . 7 1 1 A 32 32 GLU C C 32 178.400 178.968 -0.568 1
1 409 . 7 1 1 A 32 32 GLU CA C 32 60.800 59.514 1.286 1
1 410 . 7 1 1 A 32 32 GLU CB C 32 28.800 29.610 -0.810 1
1 412 . 7 1 1 A 32 32 GLU N N 32 120.300 121.545 -1.245 1
1 413 . 7 1 1 A 33 33 LEU H H 33 8.160 8.132 0.028 1
1 414 . 7 1 1 A 33 33 LEU HA H 33 3.980 4.015 -0.035 1
1 424 . 7 1 1 A 33 33 LEU C C 33 180.100 178.236 1.864 1
1 425 . 7 1 1 A 33 33 LEU CA C 33 58.000 58.008 -0.008 1
1 426 . 7 1 1 A 33 33 LEU CB C 33 42.100 41.108 0.992 1
1 430 . 7 1 1 A 33 33 LEU N N 33 117.900 120.154 -2.254 1
1 431 . 7 1 1 A 34 34 ASP H H 34 8.200 7.893 0.307 1
1 432 . 7 1 1 A 34 34 ASP HA H 34 4.290 4.388 -0.098 1
1 435 . 7 1 1 A 34 34 ASP C C 34 178.600 178.265 0.335 1
1 436 . 7 1 1 A 34 34 ASP CA C 34 58.200 57.635 0.565 1
1 437 . 7 1 1 A 34 34 ASP CB C 34 42.800 41.098 1.702 1
1 438 . 7 1 1 A 34 34 ASP N N 34 120.500 119.842 0.658 1
1 439 . 7 1 1 A 35 35 LEU H H 35 8.630 8.451 0.179 1
1 440 . 7 1 1 A 35 35 LEU HA H 35 4.360 3.988 0.372 1
1 450 . 7 1 1 A 35 35 LEU C C 35 179.000 176.604 2.396 1
1 451 . 7 1 1 A 35 35 LEU CA C 35 56.400 58.219 -1.819 1
1 452 . 7 1 1 A 35 35 LEU CB C 35 42.800 41.773 1.027 1
1 456 . 7 1 1 A 35 35 LEU N N 35 121.300 120.613 0.687 1
1 457 . 7 1 1 A 36 36 ARG H H 36 7.410 7.963 -0.553 1
1 458 . 7 1 1 A 36 36 ARG HA H 36 4.050 3.895 0.155 1
1 465 . 7 1 1 A 36 36 ARG C C 36 177.800 176.593 1.207 1
1 466 . 7 1 1 A 36 36 ARG CA C 36 59.000 58.560 0.440 1
1 467 . 7 1 1 A 36 36 ARG CB C 36 30.000 28.808 1.192 1
1 470 . 7 1 1 A 36 36 ARG N N 36 117.000 117.984 -0.984 1
1 471 . 7 1 1 A 37 37 GLY H H 37 7.580 8.357 -0.777 1
1 472 . 7 1 1 A 37 37 GLY HA2 H 37 3.830 4.118 -0.288 1
1 473 . 7 1 1 A 37 37 GLY HA3 H 37 4.280 4.163 0.117 1
1 474 . 7 1 1 A 37 37 GLY C C 37 174.800 174.079 0.721 1
1 475 . 7 1 1 A 37 37 GLY CA C 37 45.200 45.676 -0.476 1
1 476 . 7 1 1 A 37 37 GLY N N 37 103.600 109.052 -5.452 1
1 477 . 7 1 1 A 38 38 SER H H 38 8.380 7.841 0.539 1
1 478 . 7 1 1 A 38 38 SER HA H 38 4.330 4.597 -0.267 1
1 481 . 7 1 1 A 38 38 SER C C 38 175.100 174.566 0.534 1
1 482 . 7 1 1 A 38 38 SER CA C 38 58.700 57.611 1.089 1
1 483 . 7 1 1 A 38 38 SER CB C 38 63.800 64.844 -1.044 1
1 484 . 7 1 1 A 38 38 SER N N 38 117.800 115.889 1.911 1
1 485 . 7 1 1 A 39 39 ASP H H 39 8.520 8.477 0.043 1
1 486 . 7 1 1 A 39 39 ASP HA H 39 4.470 5.506 -1.036 1
1 489 . 7 1 1 A 39 39 ASP C C 39 175.300 176.499 -1.199 1
1 490 . 7 1 1 A 39 39 ASP CA C 39 55.400 53.870 1.530 1
1 491 . 7 1 1 A 39 39 ASP CB C 39 41.500 41.691 -0.191 1
1 492 . 7 1 1 A 39 39 ASP N N 39 120.500 120.802 -0.302 1
1 493 . 7 1 1 A 40 40 ASN H H 40 8.230 7.760 0.470 1
1 494 . 7 1 1 A 40 40 ASN HA H 40 4.800 5.052 -0.252 1
1 499 . 7 1 1 A 40 40 ASN C C 40 174.600 175.242 -0.642 1
1 500 . 7 1 1 A 40 40 ASN CA C 40 52.900 52.465 0.435 1
1 501 . 7 1 1 A 40 40 ASN CB C 40 39.500 36.897 2.603 1
1 502 . 7 1 1 A 40 40 ASN N N 40 116.100 117.254 -1.154 1
1 504 . 7 1 1 A 41 41 ILE H H 41 8.340 7.354 0.986 1
1 505 . 7 1 1 A 41 41 ILE HA H 41 3.840 3.714 0.126 1
1 515 . 7 1 1 A 41 41 ILE C C 41 175.000 177.184 -2.184 1
1 516 . 7 1 1 A 41 41 ILE CA C 41 62.500 62.758 -0.258 1
1 517 . 7 1 1 A 41 41 ILE CB C 41 37.600 37.638 -0.038 1
1 521 . 7 1 1 A 41 41 ILE N N 41 124.800 119.788 5.012 1
1 522 . 7 1 1 A 42 42 LYS H H 42 7.790 8.333 -0.543 1
1 523 . 7 1 1 A 42 42 LYS HA H 42 3.780 3.971 -0.191 1
1 532 . 7 1 1 A 42 42 LYS C C 42 178.300 178.507 -0.207 1
1 533 . 7 1 1 A 42 42 LYS CA C 42 60.200 58.617 1.583 1
1 534 . 7 1 1 A 42 42 LYS CB C 42 31.800 31.587 0.213 1
1 538 . 7 1 1 A 42 42 LYS N N 42 122.100 119.935 2.165 1
1 539 . 7 1 1 A 43 43 THR H H 43 7.500 7.520 -0.020 1
1 540 . 7 1 1 A 43 43 THR HA H 43 3.790 3.750 0.040 1
1 545 . 7 1 1 A 43 43 THR C C 43 177.100 175.526 1.574 1
1 546 . 7 1 1 A 43 43 THR CA C 43 65.900 66.147 -0.247 1
1 547 . 7 1 1 A 43 43 THR CB C 43 68.400 68.539 -0.139 1
1 549 . 7 1 1 A 43 43 THR N N 43 112.900 117.087 -4.187 1
1 550 . 7 1 1 A 44 44 SER H H 44 7.860 7.791 0.069 1
1 551 . 7 1 1 A 44 44 SER HA H 44 4.570 4.221 0.349 1
1 554 . 7 1 1 A 44 44 SER C C 44 175.100 175.995 -0.895 1
1 555 . 7 1 1 A 44 44 SER CA C 44 63.600 62.264 1.336 1
1 556 . 7 1 1 A 44 44 SER CB C 44 63.900 62.977 0.923 1
1 557 . 7 1 1 A 44 44 SER N N 44 119.700 117.265 2.435 1
1 558 . 7 1 1 A 45 45 ILE H H 45 8.240 7.836 0.404 1
1 559 . 7 1 1 A 45 45 ILE HA H 45 3.140 3.448 -0.308 1
1 569 . 7 1 1 A 45 45 ILE C C 45 176.500 177.891 -1.391 1
1 570 . 7 1 1 A 45 45 ILE CA C 45 66.200 64.813 1.387 1
1 571 . 7 1 1 A 45 45 ILE CB C 45 37.800 37.505 0.295 1
1 575 . 7 1 1 A 45 45 ILE N N 45 121.300 120.619 0.681 1
1 576 . 7 1 1 A 46 46 ILE H H 46 7.680 7.594 0.086 1
1 577 . 7 1 1 A 46 46 ILE HA H 46 3.480 3.479 0.001 1
1 587 . 7 1 1 A 46 46 ILE C C 46 178.900 177.757 1.143 1
1 588 . 7 1 1 A 46 46 ILE CA C 46 65.300 65.126 0.174 1
1 589 . 7 1 1 A 46 46 ILE CB C 46 37.800 37.814 -0.014 1
1 593 . 7 1 1 A 46 46 ILE N N 46 117.100 119.596 -2.496 1
1 594 . 7 1 1 A 47 47 TYR H H 47 8.400 7.573 0.827 1
1 595 . 7 1 1 A 47 47 TYR HA H 47 4.190 4.401 -0.211 1
1 602 . 7 1 1 A 47 47 TYR C C 47 178.700 178.496 0.204 1
1 603 . 7 1 1 A 47 47 TYR CA C 47 61.300 61.013 0.287 1
1 604 . 7 1 1 A 47 47 TYR CB C 47 38.400 38.564 -0.164 1
1 609 . 7 1 1 A 47 47 TYR N N 47 120.900 120.104 0.796 1
1 610 . 7 1 1 A 48 48 VAL H H 48 8.480 8.052 0.428 1
1 611 . 7 1 1 A 48 48 VAL HA H 48 3.560 3.760 -0.200 1
1 619 . 7 1 1 A 48 48 VAL C C 48 179.600 177.754 1.846 1
1 620 . 7 1 1 A 48 48 VAL CA C 48 67.000 66.486 0.514 1
1 621 . 7 1 1 A 48 48 VAL CB C 48 31.700 31.719 -0.019 1
1 624 . 7 1 1 A 48 48 VAL N N 48 121.600 119.734 1.866 1
1 625 . 7 1 1 A 49 49 TYR H H 49 9.630 8.432 1.198 1
1 626 . 7 1 1 A 49 49 TYR HA H 49 4.080 4.086 -0.006 1
1 633 . 7 1 1 A 49 49 TYR C C 49 179.300 178.608 0.692 1
1 634 . 7 1 1 A 49 49 TYR CA C 49 59.900 60.942 -1.042 1
1 635 . 7 1 1 A 49 49 TYR CB C 49 35.300 37.738 -2.438 1
1 640 . 7 1 1 A 49 49 TYR N N 49 122.000 119.488 2.512 1
1 641 . 7 1 1 A 50 50 SER H H 50 8.120 8.266 -0.146 1
1 642 . 7 1 1 A 50 50 SER HA H 50 4.130 4.417 -0.287 1
1 645 . 7 1 1 A 50 50 SER C C 50 175.700 175.766 -0.066 1
1 646 . 7 1 1 A 50 50 SER CA C 50 62.000 61.547 0.453 1
1 647 . 7 1 1 A 50 50 SER CB C 50 62.900 63.396 -0.496 1
1 648 . 7 1 1 A 50 50 SER N N 50 112.600 116.813 -4.213 1
1 649 . 7 1 1 A 51 51 SER H H 51 7.510 7.671 -0.161 1
1 650 . 7 1 1 A 51 51 SER HA H 51 4.350 4.296 0.054 1
1 653 . 7 1 1 A 51 51 SER C C 51 173.600 175.513 -1.913 1
1 654 . 7 1 1 A 51 51 SER CA C 51 59.500 61.218 -1.718 1
1 655 . 7 1 1 A 51 51 SER CB C 51 63.300 62.976 0.324 1
1 656 . 7 1 1 A 51 51 SER N N 51 116.800 115.920 0.880 1
1 657 . 7 1 1 A 52 52 HIS H H 52 7.590 8.195 -0.605 1
1 658 . 7 1 1 A 52 52 HIS HA H 52 4.890 4.908 -0.018 1
1 663 . 7 1 1 A 52 52 HIS C C 52 175.200 175.588 -0.388 1
1 664 . 7 1 1 A 52 52 HIS CA C 52 54.100 54.592 -0.492 1
1 665 . 7 1 1 A 52 52 HIS CB C 52 29.500 29.109 0.391 1
1 668 . 7 1 1 A 52 52 HIS N N 52 120.500 116.189 4.311 1
1 669 . 7 1 1 A 53 53 LEU H H 53 7.440 7.786 -0.346 1
1 670 . 7 1 1 A 53 53 LEU HA H 53 3.870 3.807 0.063 1
1 680 . 7 1 1 A 53 53 LEU C C 53 177.900 178.418 -0.518 1
1 681 . 7 1 1 A 53 53 LEU CA C 53 59.100 58.194 0.906 1
1 682 . 7 1 1 A 53 53 LEU CB C 53 42.300 41.361 0.939 1
1 686 . 7 1 1 A 53 53 LEU N N 53 121.400 121.355 0.045 1
1 687 . 7 1 1 A 54 54 ASP H H 54 8.400 8.175 0.225 1
1 688 . 7 1 1 A 54 54 ASP HA H 54 4.290 4.196 0.094 1
1 691 . 7 1 1 A 54 54 ASP C C 54 177.900 179.034 -1.134 1
1 692 . 7 1 1 A 54 54 ASP CA C 54 57.600 57.909 -0.309 1
1 693 . 7 1 1 A 54 54 ASP CB C 54 40.200 41.825 -1.625 1
1 694 . 7 1 1 A 54 54 ASP N N 54 115.900 119.389 -3.489 1
1 695 . 7 1 1 A 55 55 GLU H H 55 7.500 8.131 -0.631 1
1 696 . 7 1 1 A 55 55 GLU HA H 55 4.310 4.143 0.167 1
1 701 . 7 1 1 A 55 55 GLU C C 55 178.300 179.362 -1.062 1
1 702 . 7 1 1 A 55 55 GLU CA C 55 57.800 58.746 -0.946 1
1 703 . 7 1 1 A 55 55 GLU CB C 55 29.100 29.085 0.015 1
1 705 . 7 1 1 A 55 55 GLU N N 55 120.100 118.931 1.169 1
1 706 . 7 1 1 A 56 56 ILE H H 56 7.720 7.497 0.223 1
1 707 . 7 1 1 A 56 56 ILE HA H 56 3.440 3.202 0.238 1
1 717 . 7 1 1 A 56 56 ILE C C 56 178.600 178.444 0.156 1
1 718 . 7 1 1 A 56 56 ILE CA C 56 62.500 64.870 -2.370 1
1 719 . 7 1 1 A 56 56 ILE CB C 56 36.200 37.440 -1.240 1
1 723 . 7 1 1 A 56 56 ILE N N 56 119.600 120.515 -0.915 1
1 724 . 7 1 1 A 57 57 ARG H H 57 8.200 8.493 -0.293 1
1 725 . 7 1 1 A 57 57 ARG HA H 57 3.930 4.116 -0.186 1
1 732 . 7 1 1 A 57 57 ARG C C 57 178.800 178.363 0.437 1
1 733 . 7 1 1 A 57 57 ARG CA C 57 59.000 58.207 0.793 1
1 734 . 7 1 1 A 57 57 ARG CB C 57 30.100 29.467 0.633 1
1 737 . 7 1 1 A 57 57 ARG N N 57 115.500 120.707 -5.207 1
1 738 . 7 1 1 A 58 58 LYS H H 58 7.400 7.718 -0.318 1
1 739 . 7 1 1 A 58 58 LYS HA H 58 4.210 4.192 0.018 1
1 748 . 7 1 1 A 58 58 LYS C C 58 176.800 177.160 -0.360 1
1 749 . 7 1 1 A 58 58 LYS CA C 58 58.100 59.175 -1.075 1
1 750 . 7 1 1 A 58 58 LYS CB C 58 33.100 32.465 0.635 1
1 754 . 7 1 1 A 58 58 LYS N N 58 117.400 118.302 -0.902 1
1 755 . 7 1 1 A 59 59 ASN H H 59 7.630 7.907 -0.277 1
1 756 . 7 1 1 A 59 59 ASN HA H 59 5.310 5.275 0.035 1
1 761 . 7 1 1 A 59 59 ASN C C 59 174.900 174.938 -0.038 1
1 762 . 7 1 1 A 59 59 ASN CA C 59 52.100 52.189 -0.089 1
1 763 . 7 1 1 A 59 59 ASN CB C 59 40.200 38.505 1.695 1
1 764 . 7 1 1 A 59 59 ASN N N 59 119.200 116.444 2.756 1
1 766 . 7 1 1 A 60 60 LYS H H 60 7.460 8.388 -0.928 1
1 767 . 7 1 1 A 60 60 LYS HA H 60 4.070 4.208 -0.138 1
1 776 . 7 1 1 A 60 60 LYS C C 60 177.900 178.740 -0.840 1
1 777 . 7 1 1 A 60 60 LYS CA C 60 61.100 58.756 2.344 1
1 778 . 7 1 1 A 60 60 LYS CB C 60 33.300 31.610 1.690 1
1 782 . 7 1 1 A 60 60 LYS N N 60 122.700 119.883 2.817 1
1 783 . 7 1 1 A 61 61 GLU H H 61 8.660 8.110 0.550 1
1 784 . 7 1 1 A 61 61 GLU HA H 61 4.080 4.023 0.057 1
1 789 . 7 1 1 A 61 61 GLU C C 61 178.900 179.014 -0.114 1
1 790 . 7 1 1 A 61 61 GLU CA C 61 60.100 59.189 0.911 1
1 791 . 7 1 1 A 61 61 GLU CB C 61 29.100 29.466 -0.366 1
1 793 . 7 1 1 A 61 61 GLU N N 61 117.300 119.523 -2.223 1
1 794 . 7 1 1 A 62 62 PHE H H 62 7.670 8.031 -0.361 1
1 795 . 7 1 1 A 62 62 PHE HA H 62 3.420 3.843 -0.423 1
1 803 . 7 1 1 A 62 62 PHE C C 62 176.200 176.940 -0.740 1
1 804 . 7 1 1 A 62 62 PHE CA C 62 60.900 61.019 -0.119 1
1 805 . 7 1 1 A 62 62 PHE CB C 62 38.300 38.739 -0.439 1
1 811 . 7 1 1 A 62 62 PHE N N 62 119.300 120.581 -1.281 1
1 812 . 7 1 1 A 63 63 TYR H H 63 7.850 8.287 -0.437 1
1 813 . 7 1 1 A 63 63 TYR HA H 63 3.870 4.211 -0.341 1
1 820 . 7 1 1 A 63 63 TYR C C 63 180.200 177.780 2.420 1
1 821 . 7 1 1 A 63 63 TYR CA C 63 63.500 61.781 1.719 1
1 822 . 7 1 1 A 63 63 TYR CB C 63 37.100 37.258 -0.158 1
1 827 . 7 1 1 A 63 63 TYR N N 63 116.500 117.648 -1.148 1
1 828 . 7 1 1 A 64 64 ASP H H 64 9.110 8.274 0.836 1
1 829 . 7 1 1 A 64 64 ASP HA H 64 4.650 4.471 0.179 1
1 832 . 7 1 1 A 64 64 ASP C C 64 178.700 178.587 0.113 1
1 833 . 7 1 1 A 64 64 ASP CA C 64 57.600 57.524 0.076 1
1 834 . 7 1 1 A 64 64 ASP CB C 64 39.800 40.897 -1.097 1
1 835 . 7 1 1 A 64 64 ASP N N 64 126.100 121.279 4.821 1
1 836 . 7 1 1 A 65 65 MET H H 65 7.600 8.095 -0.495 1
1 837 . 7 1 1 A 65 65 MET HA H 65 4.140 4.108 0.032 1
1 845 . 7 1 1 A 65 65 MET C C 65 178.800 178.077 0.723 1
1 846 . 7 1 1 A 65 65 MET CA C 65 59.300 58.863 0.437 1
1 847 . 7 1 1 A 65 65 MET CB C 65 32.800 32.910 -0.110 1
1 850 . 7 1 1 A 65 65 MET N N 65 121.100 117.666 3.434 1
1 851 . 7 1 1 A 66 66 ILE H H 66 7.910 7.930 -0.020 1
1 852 . 7 1 1 A 66 66 ILE HA H 66 3.430 3.752 -0.322 1
1 862 . 7 1 1 A 66 66 ILE C C 66 177.000 177.911 -0.911 1
1 863 . 7 1 1 A 66 66 ILE CA C 66 64.500 64.102 0.398 1
1 864 . 7 1 1 A 66 66 ILE CB C 66 36.700 37.354 -0.654 1
1 868 . 7 1 1 A 66 66 ILE N N 66 116.900 116.233 0.667 1
1 869 . 7 1 1 A 67 67 ALA H H 67 7.660 8.346 -0.686 1
1 870 . 7 1 1 A 67 67 ALA HA H 67 3.940 3.930 0.010 1
1 874 . 7 1 1 A 67 67 ALA C C 67 180.200 179.730 0.470 1
1 875 . 7 1 1 A 67 67 ALA CA C 67 55.600 55.642 -0.042 1
1 876 . 7 1 1 A 67 67 ALA CB C 67 18.000 18.117 -0.117 1
1 877 . 7 1 1 A 67 67 ALA N N 67 120.700 122.781 -2.081 1
1 878 . 7 1 1 A 68 68 GLU H H 68 7.660 7.721 -0.061 1
1 879 . 7 1 1 A 68 68 GLU HA H 68 4.040 4.083 -0.043 1
1 884 . 7 1 1 A 68 68 GLU C C 68 179.000 178.897 0.103 1
1 885 . 7 1 1 A 68 68 GLU CA C 68 59.300 59.137 0.163 1
1 886 . 7 1 1 A 68 68 GLU CB C 68 29.500 29.430 0.070 1
1 888 . 7 1 1 A 68 68 GLU N N 68 118.700 118.644 0.056 1
1 889 . 7 1 1 A 69 69 ILE H H 69 8.240 8.017 0.223 1
1 890 . 7 1 1 A 69 69 ILE HA H 69 3.630 3.784 -0.154 1
1 900 . 7 1 1 A 69 69 ILE C C 69 178.200 178.339 -0.139 1
1 901 . 7 1 1 A 69 69 ILE CA C 69 65.700 65.993 -0.293 1
1 902 . 7 1 1 A 69 69 ILE CB C 69 38.100 38.061 0.039 1
1 906 . 7 1 1 A 69 69 ILE N N 69 120.700 119.353 1.347 1
1 907 . 7 1 1 A 70 70 LEU H H 70 8.770 8.870 -0.100 1
1 908 . 7 1 1 A 70 70 LEU HA H 70 3.960 3.919 0.041 1
1 918 . 7 1 1 A 70 70 LEU C C 70 179.300 179.448 -0.148 1
1 919 . 7 1 1 A 70 70 LEU CA C 70 59.100 58.339 0.761 1
1 920 . 7 1 1 A 70 70 LEU CB C 70 43.000 41.537 1.463 1
1 924 . 7 1 1 A 70 70 LEU N N 70 119.100 120.075 -0.975 1
1 925 . 7 1 1 A 71 71 GLN H H 71 7.660 7.977 -0.317 1
1 926 . 7 1 1 A 71 71 GLN HA H 71 3.960 4.103 -0.143 1
1 933 . 7 1 1 A 71 71 GLN C C 71 177.700 178.507 -0.807 1
1 934 . 7 1 1 A 71 71 GLN CA C 71 59.800 59.296 0.504 1
1 935 . 7 1 1 A 71 71 GLN CB C 71 30.000 28.478 1.522 1
1 937 . 7 1 1 A 71 71 GLN N N 71 114.200 117.992 -3.792 1
1 939 . 7 1 1 A 72 72 ARG H H 72 8.180 7.923 0.257 1
1 940 . 7 1 1 A 72 72 ARG HA H 72 4.000 4.007 -0.007 1
1 947 . 7 1 1 A 72 72 ARG C C 72 178.900 177.893 1.007 1
1 948 . 7 1 1 A 72 72 ARG CA C 72 58.900 58.986 -0.086 1
1 949 . 7 1 1 A 72 72 ARG CB C 72 31.100 30.069 1.031 1
1 952 . 7 1 1 A 72 72 ARG N N 72 118.300 120.703 -2.403 1
1 953 . 7 1 1 A 73 73 TYR H H 73 7.970 8.329 -0.359 1
1 954 . 7 1 1 A 73 73 TYR HA H 73 4.800 4.307 0.493 1
1 961 . 7 1 1 A 73 73 TYR C C 73 178.000 177.841 0.159 1
1 962 . 7 1 1 A 73 73 TYR CA C 73 60.100 60.006 0.094 1
1 963 . 7 1 1 A 73 73 TYR CB C 73 41.200 38.043 3.157 1
1 968 . 7 1 1 A 73 73 TYR N N 73 111.500 118.234 -6.734 1
1 969 . 7 1 1 A 74 74 TYR H H 74 8.750 8.081 0.669 1
1 970 . 7 1 1 A 74 74 TYR HA H 74 4.080 4.171 -0.091 1
1 977 . 7 1 1 A 74 74 TYR C C 74 176.600 177.682 -1.082 1
1 978 . 7 1 1 A 74 74 TYR CA C 74 62.400 61.312 1.088 1
1 979 . 7 1 1 A 74 74 TYR CB C 74 36.100 38.173 -2.073 1
1 984 . 7 1 1 A 74 74 TYR N N 74 121.500 121.115 0.385 1
1 985 . 7 1 1 A 75 75 LYS H H 75 7.760 7.579 0.181 1
1 986 . 7 1 1 A 75 75 LYS HA H 75 3.710 3.427 0.283 1
1 995 . 7 1 1 A 75 75 LYS C C 75 177.500 177.898 -0.398 1
1 996 . 7 1 1 A 75 75 LYS CA C 75 57.600 58.981 -1.381 1
1 997 . 7 1 1 A 75 75 LYS CB C 75 31.800 31.597 0.203 1
1 1001 . 7 1 1 A 75 75 LYS N N 75 120.300 122.172 -1.872 1
1 1002 . 7 1 1 A 76 76 LYS H H 76 7.510 7.443 0.067 1
1 1003 . 7 1 1 A 76 76 LYS HA H 76 4.230 3.947 0.283 1
1 1012 . 7 1 1 A 76 76 LYS C C 76 177.900 177.880 0.020 1
1 1013 . 7 1 1 A 76 76 LYS CA C 76 58.300 59.215 -0.915 1
1 1014 . 7 1 1 A 76 76 LYS CB C 76 33.700 32.665 1.035 1
1 1018 . 7 1 1 A 76 76 LYS N N 76 118.000 118.354 -0.354 1
1 1019 . 7 1 1 A 77 77 ILE H H 77 7.610 8.268 -0.658 1
1 1020 . 7 1 1 A 77 77 ILE HA H 77 4.670 4.450 0.220 1
1 1030 . 7 1 1 A 77 77 ILE C C 77 176.000 175.779 0.221 1
1 1031 . 7 1 1 A 77 77 ILE CA C 77 60.600 61.083 -0.483 1
1 1032 . 7 1 1 A 77 77 ILE CB C 77 39.700 40.273 -0.573 1
1 1036 . 7 1 1 A 77 77 ILE N N 77 108.200 111.827 -3.627 1
1 1037 . 7 1 1 A 78 78 GLY H H 78 7.390 7.564 -0.174 1
1 1038 . 7 1 1 A 78 78 GLY HA2 H 78 4.730 4.104 0.626 1
1 1039 . 7 1 1 A 78 78 GLY HA3 H 78 3.970 4.106 -0.136 1
1 1040 . 7 1 1 A 78 78 GLY C C 78 175.800 174.837 0.963 1
1 1041 . 7 1 1 A 78 78 GLY CA C 78 44.900 44.887 0.013 1
1 1042 . 7 1 1 A 78 78 GLY N N 78 112.200 109.872 2.328 1
1 1043 . 7 1 1 A 79 79 ILE H H 79 9.030 8.938 0.092 1
1 1044 . 7 1 1 A 79 79 ILE HA H 79 4.080 4.020 0.060 1
1 1054 . 7 1 1 A 79 79 ILE C C 79 174.700 177.959 -3.259 1
1 1055 . 7 1 1 A 79 79 ILE CA C 79 62.900 63.292 -0.392 1
1 1056 . 7 1 1 A 79 79 ILE CB C 79 38.600 38.024 0.576 1
1 1060 . 7 1 1 A 79 79 ILE N N 79 125.700 122.058 3.642 1
1 1061 . 7 1 1 A 80 80 GLU H H 80 9.480 8.434 1.046 1
1 1062 . 7 1 1 A 80 80 GLU HA H 80 4.070 3.964 0.106 1
1 1067 . 7 1 1 A 80 80 GLU C C 80 179.200 179.502 -0.302 1
1 1068 . 7 1 1 A 80 80 GLU CA C 80 59.700 59.981 -0.281 1
1 1069 . 7 1 1 A 80 80 GLU CB C 80 28.100 29.378 -1.278 1
1 1071 . 7 1 1 A 80 80 GLU N N 80 122.400 122.132 0.268 1
1 1072 . 7 1 1 A 81 81 ASN H H 81 7.570 8.182 -0.612 1
1 1073 . 7 1 1 A 81 81 ASN HA H 81 4.580 4.519 0.061 1
1 1078 . 7 1 1 A 81 81 ASN C C 81 177.600 177.944 -0.344 1
1 1079 . 7 1 1 A 81 81 ASN CA C 81 55.600 56.231 -0.631 1
1 1080 . 7 1 1 A 81 81 ASN CB C 81 37.900 38.661 -0.761 1
1 1081 . 7 1 1 A 81 81 ASN N N 81 117.000 118.237 -1.237 1
1 1083 . 7 1 1 A 82 82 VAL H H 82 8.180 8.105 0.075 1
1 1084 . 7 1 1 A 82 82 VAL HA H 82 3.590 3.500 0.090 1
1 1092 . 7 1 1 A 82 82 VAL C C 82 176.900 177.866 -0.966 1
1 1093 . 7 1 1 A 82 82 VAL CA C 82 66.800 66.754 0.046 1
1 1094 . 7 1 1 A 82 82 VAL CB C 82 31.100 31.791 -0.691 1
1 1097 . 7 1 1 A 82 82 VAL N N 82 120.900 120.531 0.369 1
1 1098 . 7 1 1 A 83 83 ASN H H 83 8.440 8.620 -0.180 1
1 1099 . 7 1 1 A 83 83 ASN HA H 83 4.440 4.472 -0.032 1
1 1104 . 7 1 1 A 83 83 ASN C C 83 177.700 177.817 -0.117 1
1 1105 . 7 1 1 A 83 83 ASN CA C 83 56.000 56.480 -0.480 1
1 1106 . 7 1 1 A 83 83 ASN CB C 83 37.000 37.579 -0.579 1
1 1107 . 7 1 1 A 83 83 ASN N N 83 120.500 118.790 1.710 1
1 1109 . 7 1 1 A 84 84 GLN H H 84 7.550 7.541 0.009 1
1 1110 . 7 1 1 A 84 84 GLN HA H 84 4.050 4.117 -0.067 1
1 1117 . 7 1 1 A 84 84 GLN C C 84 179.000 178.657 0.343 1
1 1118 . 7 1 1 A 84 84 GLN CA C 84 58.900 58.664 0.236 1
1 1119 . 7 1 1 A 84 84 GLN CB C 84 28.300 28.116 0.184 1
1 1121 . 7 1 1 A 84 84 GLN N N 84 116.900 119.459 -2.559 1
1 1123 . 7 1 1 A 85 85 LEU H H 85 7.990 8.307 -0.317 1
1 1124 . 7 1 1 A 85 85 LEU HA H 85 4.080 4.112 -0.032 1
1 1134 . 7 1 1 A 85 85 LEU C C 85 180.400 179.402 0.998 1
1 1135 . 7 1 1 A 85 85 LEU CA C 85 58.200 58.063 0.137 1
1 1136 . 7 1 1 A 85 85 LEU CB C 85 41.700 41.422 0.278 1
1 1140 . 7 1 1 A 85 85 LEU N N 85 121.300 119.169 2.131 1
1 1141 . 7 1 1 A 86 86 ILE H H 86 8.630 8.469 0.161 1
1 1142 . 7 1 1 A 86 86 ILE HA H 86 3.560 3.645 -0.085 1
1 1152 . 7 1 1 A 86 86 ILE C C 86 177.700 178.459 -0.759 1
1 1153 . 7 1 1 A 86 86 ILE CA C 86 66.600 65.435 1.165 1
1 1154 . 7 1 1 A 86 86 ILE CB C 86 37.800 37.415 0.385 1
1 1158 . 7 1 1 A 86 86 ILE N N 86 122.000 120.562 1.438 1
1 1159 . 7 1 1 A 87 87 LEU H H 87 8.200 8.101 0.099 1
1 1160 . 7 1 1 A 87 87 LEU HA H 87 4.010 4.147 -0.137 1
1 1170 . 7 1 1 A 87 87 LEU C C 87 179.000 179.183 -0.183 1
1 1171 . 7 1 1 A 87 87 LEU CA C 87 58.200 58.138 0.062 1
1 1172 . 7 1 1 A 87 87 LEU CB C 87 40.800 41.668 -0.868 1
1 1176 . 7 1 1 A 87 87 LEU N N 87 118.300 118.345 -0.045 1
1 1177 . 7 1 1 A 88 88 THR H H 88 8.420 8.260 0.160 1
1 1178 . 7 1 1 A 88 88 THR HA H 88 4.000 3.989 0.011 1
1 1183 . 7 1 1 A 88 88 THR C C 88 176.300 177.156 -0.856 1
1 1184 . 7 1 1 A 88 88 THR CA C 88 66.500 66.528 -0.028 1
1 1185 . 7 1 1 A 88 88 THR CB C 88 69.400 68.270 1.130 1
1 1187 . 7 1 1 A 88 88 THR N N 88 112.700 115.937 -3.237 1
1 1188 . 7 1 1 A 89 89 THR H H 89 7.690 8.041 -0.351 1
1 1189 . 7 1 1 A 89 89 THR HA H 89 4.040 3.971 0.069 1
1 1194 . 7 1 1 A 89 89 THR C C 89 175.500 176.989 -1.489 1
1 1195 . 7 1 1 A 89 89 THR CA C 89 67.100 67.028 0.072 1
1 1196 . 7 1 1 A 89 89 THR CB C 89 68.500 67.959 0.541 1
1 1198 . 7 1 1 A 89 89 THR N N 89 116.600 117.267 -0.667 1
1 1199 . 7 1 1 A 90 90 ILE H H 90 8.330 7.697 0.633 1
1 1200 . 7 1 1 A 90 90 ILE HA H 90 4.420 3.947 0.473 1
1 1210 . 7 1 1 A 90 90 ILE C C 90 175.700 178.265 -2.565 1
1 1211 . 7 1 1 A 90 90 ILE CA C 90 62.000 64.317 -2.317 1
1 1212 . 7 1 1 A 90 90 ILE CB C 90 38.500 37.594 0.906 1
1 1216 . 7 1 1 A 90 90 ILE N N 90 125.300 116.815 8.485 1
1 1217 . 7 1 1 A 91 91 LYS H H 91 7.450 8.025 -0.575 1
1 1218 . 7 1 1 A 91 91 LYS HA H 91 3.970 3.983 -0.013 1
1 1227 . 7 1 1 A 91 91 LYS CA C 91 57.200 59.540 -2.340 1
1 1228 . 7 1 1 A 91 91 LYS CB C 91 32.900 31.880 1.020 1
1 1 . 8 1 1 A 3 3 ILE H H 3 8.310 7.710 0.600 1
1 2 . 8 1 1 A 3 3 ILE HA H 3 3.740 4.251 -0.511 1
1 12 . 8 1 1 A 3 3 ILE C C 3 175.200 176.533 -1.333 1
1 13 . 8 1 1 A 3 3 ILE CA C 3 64.200 60.902 3.298 1
1 14 . 8 1 1 A 3 3 ILE CB C 3 37.400 40.690 -3.290 1
1 18 . 8 1 1 A 3 3 ILE N N 3 124.900 118.144 6.756 1
1 19 . 8 1 1 A 4 4 LEU H H 4 7.270 7.684 -0.414 1
1 20 . 8 1 1 A 4 4 LEU HA H 4 3.680 4.238 -0.558 1
1 30 . 8 1 1 A 4 4 LEU C C 4 177.300 178.759 -1.459 1
1 31 . 8 1 1 A 4 4 LEU CA C 4 56.300 56.502 -0.202 1
1 32 . 8 1 1 A 4 4 LEU CB C 4 41.100 41.252 -0.152 1
1 36 . 8 1 1 A 4 4 LEU N N 4 116.100 122.849 -6.749 1
1 37 . 8 1 1 A 5 5 GLU H H 5 7.350 8.044 -0.694 1
1 38 . 8 1 1 A 5 5 GLU HA H 5 4.290 4.217 0.073 1
1 43 . 8 1 1 A 5 5 GLU C C 5 176.300 176.929 -0.629 1
1 44 . 8 1 1 A 5 5 GLU CA C 5 55.200 59.587 -4.387 1
1 45 . 8 1 1 A 5 5 GLU CB C 5 30.000 29.356 0.644 1
1 47 . 8 1 1 A 5 5 GLU N N 5 114.200 117.427 -3.227 1
1 48 . 8 1 1 A 6 6 ASP H H 6 7.860 7.881 -0.021 1
1 49 . 8 1 1 A 6 6 ASP HA H 6 4.830 4.904 -0.074 1
1 52 . 8 1 1 A 6 6 ASP C C 6 175.500 176.063 -0.563 1
1 53 . 8 1 1 A 6 6 ASP CA C 6 53.000 51.962 1.038 1
1 54 . 8 1 1 A 6 6 ASP CB C 6 40.800 42.655 -1.855 1
1 55 . 8 1 1 A 6 6 ASP N N 6 125.000 120.423 4.577 1
1 56 . 8 1 1 A 7 7 PRO HA H 7 4.240 4.378 -0.138 1
1 63 . 8 1 1 A 7 7 PRO C C 7 179.000 178.487 0.513 1
1 64 . 8 1 1 A 7 7 PRO CA C 7 65.700 64.805 0.895 1
1 65 . 8 1 1 A 7 7 PRO CB C 7 32.300 32.200 0.100 1
1 68 . 8 1 1 A 8 8 GLU H H 8 9.250 8.330 0.920 1
1 69 . 8 1 1 A 8 8 GLU HA H 8 4.120 4.102 0.018 1
1 74 . 8 1 1 A 8 8 GLU C C 8 178.100 179.032 -0.932 1
1 75 . 8 1 1 A 8 8 GLU CA C 8 60.000 59.185 0.815 1
1 76 . 8 1 1 A 8 8 GLU CB C 8 29.200 29.214 -0.014 1
1 78 . 8 1 1 A 8 8 GLU N N 8 117.600 118.424 -0.824 1
1 79 . 8 1 1 A 9 9 PHE H H 9 7.640 8.447 -0.807 1
1 80 . 8 1 1 A 9 9 PHE HA H 9 4.130 3.988 0.142 1
1 87 . 8 1 1 A 9 9 PHE C C 9 178.600 177.950 0.650 1
1 88 . 8 1 1 A 9 9 PHE CA C 9 62.200 61.004 1.196 1
1 89 . 8 1 1 A 9 9 PHE CB C 9 40.400 39.216 1.184 1
1 94 . 8 1 1 A 9 9 PHE N N 9 118.200 121.934 -3.734 1
1 95 . 8 1 1 A 10 10 VAL H H 10 8.220 7.922 0.298 1
1 96 . 8 1 1 A 10 10 VAL HA H 10 3.590 3.781 -0.191 1
1 104 . 8 1 1 A 10 10 VAL C C 10 179.400 177.644 1.756 1
1 105 . 8 1 1 A 10 10 VAL CA C 10 66.800 64.389 2.411 1
1 106 . 8 1 1 A 10 10 VAL CB C 10 31.700 31.238 0.462 1
1 109 . 8 1 1 A 10 10 VAL N N 10 120.300 118.820 1.480 1
1 110 . 8 1 1 A 11 11 LYS H H 11 7.760 7.660 0.100 1
1 111 . 8 1 1 A 11 11 LYS HA H 11 4.050 3.954 0.096 1
1 120 . 8 1 1 A 11 11 LYS C C 11 179.000 179.459 -0.459 1
1 121 . 8 1 1 A 11 11 LYS CA C 11 59.300 60.020 -0.720 1
1 122 . 8 1 1 A 11 11 LYS CB C 11 32.600 32.558 0.042 1
1 126 . 8 1 1 A 11 11 LYS N N 11 119.600 122.832 -3.232 1
1 127 . 8 1 1 A 12 12 LEU H H 12 7.750 8.187 -0.437 1
1 128 . 8 1 1 A 12 12 LEU HA H 12 4.190 3.976 0.214 1
1 138 . 8 1 1 A 12 12 LEU C C 12 178.400 179.349 -0.949 1
1 139 . 8 1 1 A 12 12 LEU CA C 12 57.800 57.956 -0.156 1
1 140 . 8 1 1 A 12 12 LEU CB C 12 41.900 41.331 0.569 1
1 144 . 8 1 1 A 12 12 LEU N N 12 119.900 119.801 0.099 1
1 145 . 8 1 1 A 13 13 ARG H H 13 7.600 7.999 -0.399 1
1 146 . 8 1 1 A 13 13 ARG HA H 13 3.940 3.868 0.072 1
1 153 . 8 1 1 A 13 13 ARG C C 13 178.600 178.759 -0.159 1
1 154 . 8 1 1 A 13 13 ARG CA C 13 59.000 59.606 -0.606 1
1 155 . 8 1 1 A 13 13 ARG CB C 13 30.200 29.767 0.433 1
1 158 . 8 1 1 A 13 13 ARG N N 13 115.300 119.043 -3.743 1
1 159 . 8 1 1 A 14 14 GLN H H 14 7.770 7.808 -0.038 1
1 160 . 8 1 1 A 14 14 GLN HA H 14 4.130 4.062 0.068 1
1 167 . 8 1 1 A 14 14 GLN C C 14 176.500 178.370 -1.870 1
1 168 . 8 1 1 A 14 14 GLN CA C 14 57.100 58.629 -1.529 1
1 169 . 8 1 1 A 14 14 GLN CB C 14 28.200 28.662 -0.462 1
1 171 . 8 1 1 A 14 14 GLN N N 14 116.400 119.384 -2.984 1
1 173 . 8 1 1 A 15 15 PHE H H 15 8.030 8.387 -0.357 1
1 174 . 8 1 1 A 15 15 PHE HA H 15 4.220 4.086 0.134 1
1 181 . 8 1 1 A 15 15 PHE C C 15 175.200 175.617 -0.417 1
1 182 . 8 1 1 A 15 15 PHE CA C 15 59.100 61.265 -2.165 1
1 183 . 8 1 1 A 15 15 PHE CB C 15 38.800 39.207 -0.407 1
1 188 . 8 1 1 A 15 15 PHE N N 15 116.800 122.262 -5.462 1
1 189 . 8 1 1 A 16 16 LYS H H 16 7.470 8.756 -1.286 1
1 190 . 8 1 1 A 16 16 LYS HA H 16 4.190 4.233 -0.043 1
1 191 . 8 1 1 A 16 16 LYS CA C 16 58.400 58.602 -0.202 1
1 192 . 8 1 1 A 16 16 LYS CB C 16 33.300 32.241 1.059 1
1 193 . 8 1 1 A 16 16 LYS N N 16 122.500 119.165 3.335 1
1 194 . 8 1 1 A 17 17 GLY HA2 H 17 3.920 3.917 0.003 1
1 195 . 8 1 1 A 17 17 GLY HA3 H 17 4.210 3.963 0.247 1
1 196 . 8 1 1 A 17 17 GLY C C 17 174.300 173.286 1.014 1
1 197 . 8 1 1 A 17 17 GLY CA C 17 46.200 45.330 0.870 1
1 198 . 8 1 1 A 18 18 LYS H H 18 8.230 8.566 -0.336 1
1 199 . 8 1 1 A 18 18 LYS HA H 18 4.550 4.418 0.132 1
1 208 . 8 1 1 A 18 18 LYS C C 18 175.800 175.712 0.088 1
1 209 . 8 1 1 A 18 18 LYS CA C 18 56.100 55.328 0.772 1
1 210 . 8 1 1 A 18 18 LYS CB C 18 33.700 32.571 1.129 1
1 214 . 8 1 1 A 18 18 LYS N N 18 118.100 124.173 -6.073 1
1 215 . 8 1 1 A 19 19 VAL H H 19 7.150 7.117 0.033 1
1 216 . 8 1 1 A 19 19 VAL HA H 19 4.400 4.819 -0.419 1
1 224 . 8 1 1 A 19 19 VAL CA C 19 58.800 58.464 0.336 1
1 225 . 8 1 1 A 19 19 VAL CB C 19 34.300 34.890 -0.590 1
1 228 . 8 1 1 A 19 19 VAL N N 19 111.100 115.888 -4.788 1
1 229 . 8 1 1 A 20 20 ASN HA H 20 4.660 4.852 -0.192 1
1 234 . 8 1 1 A 20 20 ASN C C 20 174.600 176.360 -1.760 1
1 235 . 8 1 1 A 20 20 ASN CA C 20 52.700 53.057 -0.357 1
1 236 . 8 1 1 A 20 20 ASN CB C 20 37.900 39.539 -1.639 1
1 238 . 8 1 1 A 21 21 PHE H H 21 8.580 9.104 -0.524 1
1 239 . 8 1 1 A 21 21 PHE HA H 21 3.730 3.977 -0.247 1
1 247 . 8 1 1 A 21 21 PHE C C 21 175.300 177.067 -1.767 1
1 248 . 8 1 1 A 21 21 PHE CA C 21 62.500 62.293 0.207 1
1 249 . 8 1 1 A 21 21 PHE CB C 21 40.400 39.533 0.867 1
1 255 . 8 1 1 A 21 21 PHE N N 21 128.200 127.650 0.550 1
1 256 . 8 1 1 A 22 22 ASN H H 22 8.220 8.499 -0.279 1
1 257 . 8 1 1 A 22 22 ASN HA H 22 4.300 4.310 -0.010 1
1 262 . 8 1 1 A 22 22 ASN C C 22 177.800 177.913 -0.113 1
1 263 . 8 1 1 A 22 22 ASN CA C 22 56.400 56.376 0.024 1
1 264 . 8 1 1 A 22 22 ASN CB C 22 37.900 38.564 -0.664 1
1 265 . 8 1 1 A 22 22 ASN N N 22 114.600 118.609 -4.009 1
1 267 . 8 1 1 A 23 23 LEU H H 23 7.440 7.794 -0.354 1
1 268 . 8 1 1 A 23 23 LEU HA H 23 4.190 4.010 0.180 1
1 278 . 8 1 1 A 23 23 LEU C C 23 177.800 178.771 -0.971 1
1 279 . 8 1 1 A 23 23 LEU CA C 23 56.900 57.690 -0.790 1
1 280 . 8 1 1 A 23 23 LEU CB C 23 41.400 41.963 -0.563 1
1 284 . 8 1 1 A 23 23 LEU N N 23 122.500 121.048 1.452 1
1 285 . 8 1 1 A 24 24 VAL H H 24 7.930 8.146 -0.216 1
1 286 . 8 1 1 A 24 24 VAL HA H 24 3.560 3.548 0.012 1
1 294 . 8 1 1 A 24 24 VAL C C 24 177.500 177.451 0.049 1
1 295 . 8 1 1 A 24 24 VAL CA C 24 67.200 67.014 0.186 1
1 296 . 8 1 1 A 24 24 VAL CB C 24 31.000 31.366 -0.366 1
1 299 . 8 1 1 A 24 24 VAL N N 24 119.400 118.877 0.523 1
1 300 . 8 1 1 A 25 25 MET H H 25 8.020 8.073 -0.053 1
1 301 . 8 1 1 A 25 25 MET HA H 25 3.640 3.983 -0.343 1
1 309 . 8 1 1 A 25 25 MET C C 25 176.800 178.021 -1.221 1
1 310 . 8 1 1 A 25 25 MET CA C 25 60.000 58.323 1.677 1
1 311 . 8 1 1 A 25 25 MET CB C 25 32.900 31.185 1.715 1
1 314 . 8 1 1 A 25 25 MET N N 25 116.600 119.179 -2.579 1
1 315 . 8 1 1 A 26 26 GLN H H 26 7.530 7.960 -0.430 1
1 316 . 8 1 1 A 26 26 GLN HA H 26 4.050 4.066 -0.016 1
1 323 . 8 1 1 A 26 26 GLN C C 26 177.800 178.523 -0.723 1
1 324 . 8 1 1 A 26 26 GLN CA C 26 59.100 58.774 0.326 1
1 325 . 8 1 1 A 26 26 GLN CB C 26 28.100 28.172 -0.072 1
1 327 . 8 1 1 A 26 26 GLN N N 26 118.200 118.559 -0.359 1
1 329 . 8 1 1 A 27 27 ILE H H 27 8.230 8.299 -0.069 1
1 330 . 8 1 1 A 27 27 ILE HA H 27 3.350 3.518 -0.168 1
1 340 . 8 1 1 A 27 27 ILE C C 27 177.700 178.336 -0.636 1
1 341 . 8 1 1 A 27 27 ILE CA C 27 65.900 65.925 -0.025 1
1 342 . 8 1 1 A 27 27 ILE CB C 27 37.900 38.230 -0.330 1
1 346 . 8 1 1 A 27 27 ILE N N 27 120.700 120.913 -0.213 1
1 347 . 8 1 1 A 28 28 LEU H H 28 8.550 8.461 0.089 1
1 348 . 8 1 1 A 28 28 LEU HA H 28 4.020 3.969 0.051 1
1 358 . 8 1 1 A 28 28 LEU C C 28 179.900 179.260 0.640 1
1 359 . 8 1 1 A 28 28 LEU CA C 28 58.400 58.197 0.203 1
1 360 . 8 1 1 A 28 28 LEU CB C 28 39.700 40.746 -1.046 1
1 364 . 8 1 1 A 28 28 LEU N N 28 118.900 118.615 0.285 1
1 365 . 8 1 1 A 29 29 ASP H H 29 8.470 8.407 0.063 1
1 366 . 8 1 1 A 29 29 ASP HA H 29 4.440 4.259 0.181 1
1 369 . 8 1 1 A 29 29 ASP C C 29 179.600 178.499 1.101 1
1 370 . 8 1 1 A 29 29 ASP CA C 29 57.400 57.719 -0.319 1
1 371 . 8 1 1 A 29 29 ASP CB C 29 40.400 41.283 -0.883 1
1 372 . 8 1 1 A 29 29 ASP N N 29 120.700 119.671 1.029 1
1 373 . 8 1 1 A 30 30 GLU H H 30 8.630 8.618 0.012 1
1 374 . 8 1 1 A 30 30 GLU HA H 30 3.980 4.106 -0.126 1
1 379 . 8 1 1 A 30 30 GLU C C 30 180.600 178.854 1.746 1
1 380 . 8 1 1 A 30 30 GLU CA C 30 60.000 59.201 0.799 1
1 381 . 8 1 1 A 30 30 GLU CB C 30 29.900 29.613 0.287 1
1 383 . 8 1 1 A 30 30 GLU N N 30 120.800 118.920 1.880 1
1 384 . 8 1 1 A 31 31 ILE H H 31 8.520 7.820 0.700 1
1 385 . 8 1 1 A 31 31 ILE HA H 31 3.540 3.895 -0.355 1
1 395 . 8 1 1 A 31 31 ILE C C 31 176.400 178.054 -1.654 1
1 396 . 8 1 1 A 31 31 ILE CA C 31 66.600 63.724 2.876 1
1 397 . 8 1 1 A 31 31 ILE CB C 31 37.800 37.410 0.390 1
1 401 . 8 1 1 A 31 31 ILE N N 31 123.100 119.988 3.112 1
1 402 . 8 1 1 A 32 32 GLU H H 32 8.070 8.247 -0.177 1
1 403 . 8 1 1 A 32 32 GLU HA H 32 3.730 4.027 -0.297 1
1 408 . 8 1 1 A 32 32 GLU C C 32 178.400 178.912 -0.512 1
1 409 . 8 1 1 A 32 32 GLU CA C 32 60.800 59.255 1.545 1
1 410 . 8 1 1 A 32 32 GLU CB C 32 28.800 29.568 -0.768 1
1 412 . 8 1 1 A 32 32 GLU N N 32 120.300 121.210 -0.910 1
1 413 . 8 1 1 A 33 33 LEU H H 33 8.160 8.288 -0.128 1
1 414 . 8 1 1 A 33 33 LEU HA H 33 3.980 3.944 0.036 1
1 424 . 8 1 1 A 33 33 LEU C C 33 180.100 178.372 1.728 1
1 425 . 8 1 1 A 33 33 LEU CA C 33 58.000 58.037 -0.037 1
1 426 . 8 1 1 A 33 33 LEU CB C 33 42.100 41.340 0.760 1
1 430 . 8 1 1 A 33 33 LEU N N 33 117.900 119.685 -1.785 1
1 431 . 8 1 1 A 34 34 ASP H H 34 8.200 8.029 0.171 1
1 432 . 8 1 1 A 34 34 ASP HA H 34 4.290 4.388 -0.098 1
1 435 . 8 1 1 A 34 34 ASP C C 34 178.600 178.321 0.279 1
1 436 . 8 1 1 A 34 34 ASP CA C 34 58.200 57.651 0.549 1
1 437 . 8 1 1 A 34 34 ASP CB C 34 42.800 41.139 1.661 1
1 438 . 8 1 1 A 34 34 ASP N N 34 120.500 119.653 0.847 1
1 439 . 8 1 1 A 35 35 LEU H H 35 8.630 8.383 0.247 1
1 440 . 8 1 1 A 35 35 LEU HA H 35 4.360 4.042 0.318 1
1 450 . 8 1 1 A 35 35 LEU C C 35 179.000 178.755 0.245 1
1 451 . 8 1 1 A 35 35 LEU CA C 35 56.400 57.563 -1.163 1
1 452 . 8 1 1 A 35 35 LEU CB C 35 42.800 41.723 1.077 1
1 456 . 8 1 1 A 35 35 LEU N N 35 121.300 120.640 0.660 1
1 457 . 8 1 1 A 36 36 ARG H H 36 7.410 7.872 -0.462 1
1 458 . 8 1 1 A 36 36 ARG HA H 36 4.050 4.134 -0.084 1
1 465 . 8 1 1 A 36 36 ARG C C 36 177.800 177.652 0.148 1
1 466 . 8 1 1 A 36 36 ARG CA C 36 59.000 58.494 0.506 1
1 467 . 8 1 1 A 36 36 ARG CB C 36 30.000 30.349 -0.349 1
1 470 . 8 1 1 A 36 36 ARG N N 36 117.000 118.902 -1.902 1
1 471 . 8 1 1 A 37 37 GLY H H 37 7.580 8.088 -0.508 1
1 472 . 8 1 1 A 37 37 GLY HA2 H 37 3.830 4.103 -0.273 1
1 473 . 8 1 1 A 37 37 GLY HA3 H 37 4.280 4.109 0.171 1
1 474 . 8 1 1 A 37 37 GLY C C 37 174.800 173.349 1.451 1
1 475 . 8 1 1 A 37 37 GLY CA C 37 45.200 45.599 -0.399 1
1 476 . 8 1 1 A 37 37 GLY N N 37 103.600 107.733 -4.133 1
1 477 . 8 1 1 A 38 38 SER H H 38 8.380 7.674 0.706 1
1 478 . 8 1 1 A 38 38 SER HA H 38 4.330 4.921 -0.591 1
1 481 . 8 1 1 A 38 38 SER C C 38 175.100 173.748 1.352 1
1 482 . 8 1 1 A 38 38 SER CA C 38 58.700 56.120 2.580 1
1 483 . 8 1 1 A 38 38 SER CB C 38 63.800 66.055 -2.255 1
1 484 . 8 1 1 A 38 38 SER N N 38 117.800 114.769 3.031 1
1 485 . 8 1 1 A 39 39 ASP H H 39 8.520 9.143 -0.623 1
1 486 . 8 1 1 A 39 39 ASP HA H 39 4.470 4.688 -0.218 1
1 489 . 8 1 1 A 39 39 ASP C C 39 175.300 175.433 -0.133 1
1 490 . 8 1 1 A 39 39 ASP CA C 39 55.400 55.827 -0.427 1
1 491 . 8 1 1 A 39 39 ASP CB C 39 41.500 42.227 -0.727 1
1 492 . 8 1 1 A 39 39 ASP N N 39 120.500 124.299 -3.799 1
1 493 . 8 1 1 A 40 40 ASN H H 40 8.230 7.812 0.418 1
1 494 . 8 1 1 A 40 40 ASN HA H 40 4.800 5.078 -0.278 1
1 499 . 8 1 1 A 40 40 ASN C C 40 174.600 174.944 -0.344 1
1 500 . 8 1 1 A 40 40 ASN CA C 40 52.900 51.788 1.112 1
1 501 . 8 1 1 A 40 40 ASN CB C 40 39.500 40.538 -1.038 1
1 502 . 8 1 1 A 40 40 ASN N N 40 116.100 116.105 -0.005 1
1 504 . 8 1 1 A 41 41 ILE H H 41 8.340 8.728 -0.388 1
1 505 . 8 1 1 A 41 41 ILE HA H 41 3.840 3.842 -0.002 1
1 515 . 8 1 1 A 41 41 ILE C C 41 175.000 177.325 -2.325 1
1 516 . 8 1 1 A 41 41 ILE CA C 41 62.500 62.732 -0.232 1
1 517 . 8 1 1 A 41 41 ILE CB C 41 37.600 37.748 -0.148 1
1 521 . 8 1 1 A 41 41 ILE N N 41 124.800 127.134 -2.334 1
1 522 . 8 1 1 A 42 42 LYS H H 42 7.790 8.209 -0.419 1
1 523 . 8 1 1 A 42 42 LYS HA H 42 3.780 3.970 -0.190 1
1 532 . 8 1 1 A 42 42 LYS C C 42 178.300 178.736 -0.436 1
1 533 . 8 1 1 A 42 42 LYS CA C 42 60.200 58.678 1.522 1
1 534 . 8 1 1 A 42 42 LYS CB C 42 31.800 31.609 0.191 1
1 538 . 8 1 1 A 42 42 LYS N N 42 122.100 120.043 2.057 1
1 539 . 8 1 1 A 43 43 THR H H 43 7.500 7.979 -0.479 1
1 540 . 8 1 1 A 43 43 THR HA H 43 3.790 3.659 0.131 1
1 545 . 8 1 1 A 43 43 THR C C 43 177.100 175.968 1.132 1
1 546 . 8 1 1 A 43 43 THR CA C 43 65.900 66.483 -0.583 1
1 547 . 8 1 1 A 43 43 THR CB C 43 68.400 68.278 0.122 1
1 549 . 8 1 1 A 43 43 THR N N 43 112.900 117.234 -4.334 1
1 550 . 8 1 1 A 44 44 SER H H 44 7.860 7.699 0.161 1
1 551 . 8 1 1 A 44 44 SER HA H 44 4.570 4.278 0.292 1
1 554 . 8 1 1 A 44 44 SER C C 44 175.100 175.880 -0.780 1
1 555 . 8 1 1 A 44 44 SER CA C 44 63.600 62.423 1.177 1
1 556 . 8 1 1 A 44 44 SER CB C 44 63.900 62.817 1.083 1
1 557 . 8 1 1 A 44 44 SER N N 44 119.700 117.323 2.377 1
1 558 . 8 1 1 A 45 45 ILE H H 45 8.240 7.903 0.337 1
1 559 . 8 1 1 A 45 45 ILE HA H 45 3.140 3.474 -0.334 1
1 569 . 8 1 1 A 45 45 ILE C C 45 176.500 177.910 -1.410 1
1 570 . 8 1 1 A 45 45 ILE CA C 45 66.200 64.853 1.347 1
1 571 . 8 1 1 A 45 45 ILE CB C 45 37.800 37.526 0.274 1
1 575 . 8 1 1 A 45 45 ILE N N 45 121.300 120.774 0.526 1
1 576 . 8 1 1 A 46 46 ILE H H 46 7.680 7.688 -0.008 1
1 577 . 8 1 1 A 46 46 ILE HA H 46 3.480 3.490 -0.010 1
1 587 . 8 1 1 A 46 46 ILE C C 46 178.900 177.732 1.168 1
1 588 . 8 1 1 A 46 46 ILE CA C 46 65.300 65.134 0.166 1
1 589 . 8 1 1 A 46 46 ILE CB C 46 37.800 37.804 -0.004 1
1 593 . 8 1 1 A 46 46 ILE N N 46 117.100 119.573 -2.473 1
1 594 . 8 1 1 A 47 47 TYR H H 47 8.400 7.397 1.003 1
1 595 . 8 1 1 A 47 47 TYR HA H 47 4.190 4.387 -0.197 1
1 602 . 8 1 1 A 47 47 TYR C C 47 178.700 178.477 0.223 1
1 603 . 8 1 1 A 47 47 TYR CA C 47 61.300 61.019 0.281 1
1 604 . 8 1 1 A 47 47 TYR CB C 47 38.400 38.384 0.016 1
1 609 . 8 1 1 A 47 47 TYR N N 47 120.900 120.025 0.875 1
1 610 . 8 1 1 A 48 48 VAL H H 48 8.480 7.958 0.522 1
1 611 . 8 1 1 A 48 48 VAL HA H 48 3.560 3.831 -0.271 1
1 619 . 8 1 1 A 48 48 VAL C C 48 179.600 178.007 1.593 1
1 620 . 8 1 1 A 48 48 VAL CA C 48 67.000 66.377 0.623 1
1 621 . 8 1 1 A 48 48 VAL CB C 48 31.700 31.734 -0.034 1
1 624 . 8 1 1 A 48 48 VAL N N 48 121.600 119.738 1.862 1
1 625 . 8 1 1 A 49 49 TYR H H 49 9.630 8.490 1.140 1
1 626 . 8 1 1 A 49 49 TYR HA H 49 4.080 4.110 -0.030 1
1 633 . 8 1 1 A 49 49 TYR C C 49 179.300 178.583 0.717 1
1 634 . 8 1 1 A 49 49 TYR CA C 49 59.900 60.860 -0.960 1
1 635 . 8 1 1 A 49 49 TYR CB C 49 35.300 37.515 -2.215 1
1 640 . 8 1 1 A 49 49 TYR N N 49 122.000 119.436 2.564 1
1 641 . 8 1 1 A 50 50 SER H H 50 8.120 8.171 -0.051 1
1 642 . 8 1 1 A 50 50 SER HA H 50 4.130 4.486 -0.356 1
1 645 . 8 1 1 A 50 50 SER C C 50 175.700 176.065 -0.365 1
1 646 . 8 1 1 A 50 50 SER CA C 50 62.000 61.396 0.604 1
1 647 . 8 1 1 A 50 50 SER CB C 50 62.900 63.394 -0.494 1
1 648 . 8 1 1 A 50 50 SER N N 50 112.600 116.804 -4.204 1
1 649 . 8 1 1 A 51 51 SER H H 51 7.510 7.817 -0.307 1
1 650 . 8 1 1 A 51 51 SER HA H 51 4.350 4.167 0.183 1
1 653 . 8 1 1 A 51 51 SER C C 51 173.600 175.714 -2.114 1
1 654 . 8 1 1 A 51 51 SER CA C 51 59.500 61.451 -1.951 1
1 655 . 8 1 1 A 51 51 SER CB C 51 63.300 62.681 0.619 1
1 656 . 8 1 1 A 51 51 SER N N 51 116.800 116.089 0.711 1
1 657 . 8 1 1 A 52 52 HIS H H 52 7.590 8.130 -0.540 1
1 658 . 8 1 1 A 52 52 HIS HA H 52 4.890 4.926 -0.036 1
1 663 . 8 1 1 A 52 52 HIS C C 52 175.200 175.587 -0.387 1
1 664 . 8 1 1 A 52 52 HIS CA C 52 54.100 54.519 -0.419 1
1 665 . 8 1 1 A 52 52 HIS CB C 52 29.500 28.694 0.806 1
1 668 . 8 1 1 A 52 52 HIS N N 52 120.500 116.236 4.264 1
1 669 . 8 1 1 A 53 53 LEU H H 53 7.440 7.838 -0.398 1
1 670 . 8 1 1 A 53 53 LEU HA H 53 3.870 3.813 0.057 1
1 680 . 8 1 1 A 53 53 LEU C C 53 177.900 178.320 -0.420 1
1 681 . 8 1 1 A 53 53 LEU CA C 53 59.100 58.305 0.795 1
1 682 . 8 1 1 A 53 53 LEU CB C 53 42.300 41.310 0.990 1
1 686 . 8 1 1 A 53 53 LEU N N 53 121.400 121.372 0.028 1
1 687 . 8 1 1 A 54 54 ASP H H 54 8.400 8.097 0.303 1
1 688 . 8 1 1 A 54 54 ASP HA H 54 4.290 4.251 0.039 1
1 691 . 8 1 1 A 54 54 ASP C C 54 177.900 179.040 -1.140 1
1 692 . 8 1 1 A 54 54 ASP CA C 54 57.600 57.602 -0.002 1
1 693 . 8 1 1 A 54 54 ASP CB C 54 40.200 42.185 -1.985 1
1 694 . 8 1 1 A 54 54 ASP N N 54 115.900 119.093 -3.193 1
1 695 . 8 1 1 A 55 55 GLU H H 55 7.500 7.616 -0.116 1
1 696 . 8 1 1 A 55 55 GLU HA H 55 4.310 4.207 0.103 1
1 701 . 8 1 1 A 55 55 GLU C C 55 178.300 179.219 -0.919 1
1 702 . 8 1 1 A 55 55 GLU CA C 55 57.800 58.733 -0.933 1
1 703 . 8 1 1 A 55 55 GLU CB C 55 29.100 29.245 -0.145 1
1 705 . 8 1 1 A 55 55 GLU N N 55 120.100 118.826 1.274 1
1 706 . 8 1 1 A 56 56 ILE H H 56 7.720 7.529 0.191 1
1 707 . 8 1 1 A 56 56 ILE HA H 56 3.440 3.155 0.285 1
1 717 . 8 1 1 A 56 56 ILE C C 56 178.600 178.437 0.163 1
1 718 . 8 1 1 A 56 56 ILE CA C 56 62.500 65.005 -2.505 1
1 719 . 8 1 1 A 56 56 ILE CB C 56 36.200 37.031 -0.831 1
1 723 . 8 1 1 A 56 56 ILE N N 56 119.600 120.225 -0.625 1
1 724 . 8 1 1 A 57 57 ARG H H 57 8.200 8.174 0.026 1
1 725 . 8 1 1 A 57 57 ARG HA H 57 3.930 4.014 -0.084 1
1 732 . 8 1 1 A 57 57 ARG C C 57 178.800 178.912 -0.112 1
1 733 . 8 1 1 A 57 57 ARG CA C 57 59.000 59.232 -0.232 1
1 734 . 8 1 1 A 57 57 ARG CB C 57 30.100 29.868 0.232 1
1 737 . 8 1 1 A 57 57 ARG N N 57 115.500 121.598 -6.098 1
1 738 . 8 1 1 A 58 58 LYS H H 58 7.400 8.168 -0.768 1
1 739 . 8 1 1 A 58 58 LYS HA H 58 4.210 4.174 0.036 1
1 748 . 8 1 1 A 58 58 LYS C C 58 176.800 177.179 -0.379 1
1 749 . 8 1 1 A 58 58 LYS CA C 58 58.100 59.183 -1.083 1
1 750 . 8 1 1 A 58 58 LYS CB C 58 33.100 32.387 0.713 1
1 754 . 8 1 1 A 58 58 LYS N N 58 117.400 119.200 -1.800 1
1 755 . 8 1 1 A 59 59 ASN H H 59 7.630 8.009 -0.379 1
1 756 . 8 1 1 A 59 59 ASN HA H 59 5.310 5.220 0.090 1
1 761 . 8 1 1 A 59 59 ASN C C 59 174.900 174.974 -0.074 1
1 762 . 8 1 1 A 59 59 ASN CA C 59 52.100 52.386 -0.286 1
1 763 . 8 1 1 A 59 59 ASN CB C 59 40.200 38.842 1.358 1
1 764 . 8 1 1 A 59 59 ASN N N 59 119.200 115.842 3.358 1
1 766 . 8 1 1 A 60 60 LYS H H 60 7.460 8.319 -0.859 1
1 767 . 8 1 1 A 60 60 LYS HA H 60 4.070 4.362 -0.292 1
1 776 . 8 1 1 A 60 60 LYS C C 60 177.900 178.679 -0.779 1
1 777 . 8 1 1 A 60 60 LYS CA C 60 61.100 58.933 2.167 1
1 778 . 8 1 1 A 60 60 LYS CB C 60 33.300 31.874 1.426 1
1 782 . 8 1 1 A 60 60 LYS N N 60 122.700 119.374 3.326 1
1 783 . 8 1 1 A 61 61 GLU H H 61 8.660 8.205 0.455 1
1 784 . 8 1 1 A 61 61 GLU HA H 61 4.080 4.004 0.076 1
1 789 . 8 1 1 A 61 61 GLU C C 61 178.900 178.847 0.053 1
1 790 . 8 1 1 A 61 61 GLU CA C 61 60.100 59.231 0.869 1
1 791 . 8 1 1 A 61 61 GLU CB C 61 29.100 29.627 -0.527 1
1 793 . 8 1 1 A 61 61 GLU N N 61 117.300 119.519 -2.219 1
1 794 . 8 1 1 A 62 62 PHE H H 62 7.670 7.932 -0.262 1
1 795 . 8 1 1 A 62 62 PHE HA H 62 3.420 3.721 -0.301 1
1 803 . 8 1 1 A 62 62 PHE C C 62 176.200 176.849 -0.649 1
1 804 . 8 1 1 A 62 62 PHE CA C 62 60.900 61.014 -0.114 1
1 805 . 8 1 1 A 62 62 PHE CB C 62 38.300 38.664 -0.364 1
1 811 . 8 1 1 A 62 62 PHE N N 62 119.300 120.764 -1.464 1
1 812 . 8 1 1 A 63 63 TYR H H 63 7.850 8.207 -0.357 1
1 813 . 8 1 1 A 63 63 TYR HA H 63 3.870 4.127 -0.257 1
1 820 . 8 1 1 A 63 63 TYR C C 63 180.200 177.607 2.593 1
1 821 . 8 1 1 A 63 63 TYR CA C 63 63.500 62.031 1.469 1
1 822 . 8 1 1 A 63 63 TYR CB C 63 37.100 37.447 -0.347 1
1 827 . 8 1 1 A 63 63 TYR N N 63 116.500 117.805 -1.305 1
1 828 . 8 1 1 A 64 64 ASP H H 64 9.110 8.773 0.337 1
1 829 . 8 1 1 A 64 64 ASP HA H 64 4.650 4.383 0.267 1
1 832 . 8 1 1 A 64 64 ASP C C 64 178.700 178.683 0.017 1
1 833 . 8 1 1 A 64 64 ASP CA C 64 57.600 57.600 0.000 1
1 834 . 8 1 1 A 64 64 ASP CB C 64 39.800 41.523 -1.723 1
1 835 . 8 1 1 A 64 64 ASP N N 64 126.100 120.878 5.222 1
1 836 . 8 1 1 A 65 65 MET H H 65 7.600 8.097 -0.497 1
1 837 . 8 1 1 A 65 65 MET HA H 65 4.140 4.085 0.055 1
1 845 . 8 1 1 A 65 65 MET C C 65 178.800 178.013 0.787 1
1 846 . 8 1 1 A 65 65 MET CA C 65 59.300 58.865 0.435 1
1 847 . 8 1 1 A 65 65 MET CB C 65 32.800 32.912 -0.112 1
1 850 . 8 1 1 A 65 65 MET N N 65 121.100 117.824 3.276 1
1 851 . 8 1 1 A 66 66 ILE H H 66 7.910 7.825 0.085 1
1 852 . 8 1 1 A 66 66 ILE HA H 66 3.430 3.741 -0.311 1
1 862 . 8 1 1 A 66 66 ILE C C 66 177.000 177.911 -0.911 1
1 863 . 8 1 1 A 66 66 ILE CA C 66 64.500 64.137 0.363 1
1 864 . 8 1 1 A 66 66 ILE CB C 66 36.700 37.324 -0.624 1
1 868 . 8 1 1 A 66 66 ILE N N 66 116.900 116.209 0.691 1
1 869 . 8 1 1 A 67 67 ALA H H 67 7.660 8.449 -0.789 1
1 870 . 8 1 1 A 67 67 ALA HA H 67 3.940 3.935 0.005 1
1 874 . 8 1 1 A 67 67 ALA C C 67 180.200 179.383 0.817 1
1 875 . 8 1 1 A 67 67 ALA CA C 67 55.600 55.634 -0.034 1
1 876 . 8 1 1 A 67 67 ALA CB C 67 18.000 18.138 -0.138 1
1 877 . 8 1 1 A 67 67 ALA N N 67 120.700 123.167 -2.467 1
1 878 . 8 1 1 A 68 68 GLU H H 68 7.660 7.732 -0.072 1
1 879 . 8 1 1 A 68 68 GLU HA H 68 4.040 4.045 -0.005 1
1 884 . 8 1 1 A 68 68 GLU C C 68 179.000 178.983 0.017 1
1 885 . 8 1 1 A 68 68 GLU CA C 68 59.300 59.466 -0.166 1
1 886 . 8 1 1 A 68 68 GLU CB C 68 29.500 29.728 -0.228 1
1 888 . 8 1 1 A 68 68 GLU N N 68 118.700 118.585 0.115 1
1 889 . 8 1 1 A 69 69 ILE H H 69 8.240 7.872 0.368 1
1 890 . 8 1 1 A 69 69 ILE HA H 69 3.630 3.830 -0.200 1
1 900 . 8 1 1 A 69 69 ILE C C 69 178.200 178.503 -0.303 1
1 901 . 8 1 1 A 69 69 ILE CA C 69 65.700 65.528 0.172 1
1 902 . 8 1 1 A 69 69 ILE CB C 69 38.100 37.570 0.530 1
1 906 . 8 1 1 A 69 69 ILE N N 69 120.700 119.293 1.407 1
1 907 . 8 1 1 A 70 70 LEU H H 70 8.770 8.875 -0.105 1
1 908 . 8 1 1 A 70 70 LEU HA H 70 3.960 3.897 0.063 1
1 918 . 8 1 1 A 70 70 LEU C C 70 179.300 179.570 -0.270 1
1 919 . 8 1 1 A 70 70 LEU CA C 70 59.100 58.298 0.802 1
1 920 . 8 1 1 A 70 70 LEU CB C 70 43.000 41.723 1.277 1
1 924 . 8 1 1 A 70 70 LEU N N 70 119.100 120.373 -1.273 1
1 925 . 8 1 1 A 71 71 GLN H H 71 7.660 7.809 -0.149 1
1 926 . 8 1 1 A 71 71 GLN HA H 71 3.960 4.153 -0.193 1
1 933 . 8 1 1 A 71 71 GLN C C 71 177.700 178.882 -1.182 1
1 934 . 8 1 1 A 71 71 GLN CA C 71 59.800 59.237 0.563 1
1 935 . 8 1 1 A 71 71 GLN CB C 71 30.000 28.709 1.291 1
1 937 . 8 1 1 A 71 71 GLN N N 71 114.200 117.691 -3.491 1
1 939 . 8 1 1 A 72 72 ARG H H 72 8.180 8.000 0.180 1
1 940 . 8 1 1 A 72 72 ARG HA H 72 4.000 4.009 -0.009 1
1 947 . 8 1 1 A 72 72 ARG C C 72 178.900 177.879 1.021 1
1 948 . 8 1 1 A 72 72 ARG CA C 72 58.900 58.939 -0.039 1
1 949 . 8 1 1 A 72 72 ARG CB C 72 31.100 29.832 1.268 1
1 952 . 8 1 1 A 72 72 ARG N N 72 118.300 120.199 -1.899 1
1 953 . 8 1 1 A 73 73 TYR H H 73 7.970 8.217 -0.247 1
1 954 . 8 1 1 A 73 73 TYR HA H 73 4.800 4.385 0.415 1
1 961 . 8 1 1 A 73 73 TYR C C 73 178.000 177.597 0.403 1
1 962 . 8 1 1 A 73 73 TYR CA C 73 60.100 59.554 0.546 1
1 963 . 8 1 1 A 73 73 TYR CB C 73 41.200 39.143 2.057 1
1 968 . 8 1 1 A 73 73 TYR N N 73 111.500 118.053 -6.553 1
1 969 . 8 1 1 A 74 74 TYR H H 74 8.750 8.068 0.682 1
1 970 . 8 1 1 A 74 74 TYR HA H 74 4.080 4.230 -0.150 1
1 977 . 8 1 1 A 74 74 TYR C C 74 176.600 177.561 -0.961 1
1 978 . 8 1 1 A 74 74 TYR CA C 74 62.400 61.036 1.364 1
1 979 . 8 1 1 A 74 74 TYR CB C 74 36.100 38.308 -2.208 1
1 984 . 8 1 1 A 74 74 TYR N N 74 121.500 120.258 1.242 1
1 985 . 8 1 1 A 75 75 LYS H H 75 7.760 7.422 0.338 1
1 986 . 8 1 1 A 75 75 LYS HA H 75 3.710 3.737 -0.027 1
1 995 . 8 1 1 A 75 75 LYS C C 75 177.500 177.971 -0.471 1
1 996 . 8 1 1 A 75 75 LYS CA C 75 57.600 57.677 -0.077 1
1 997 . 8 1 1 A 75 75 LYS CB C 75 31.800 32.310 -0.510 1
1 1001 . 8 1 1 A 75 75 LYS N N 75 120.300 120.022 0.278 1
1 1002 . 8 1 1 A 76 76 LYS H H 76 7.510 7.941 -0.431 1
1 1003 . 8 1 1 A 76 76 LYS HA H 76 4.230 4.144 0.086 1
1 1012 . 8 1 1 A 76 76 LYS C C 76 177.900 177.895 0.005 1
1 1013 . 8 1 1 A 76 76 LYS CA C 76 58.300 58.239 0.061 1
1 1014 . 8 1 1 A 76 76 LYS CB C 76 33.700 32.964 0.736 1
1 1018 . 8 1 1 A 76 76 LYS N N 76 118.000 119.824 -1.824 1
1 1019 . 8 1 1 A 77 77 ILE H H 77 7.610 8.406 -0.796 1
1 1020 . 8 1 1 A 77 77 ILE HA H 77 4.670 4.442 0.228 1
1 1030 . 8 1 1 A 77 77 ILE C C 77 176.000 175.881 0.119 1
1 1031 . 8 1 1 A 77 77 ILE CA C 77 60.600 61.046 -0.446 1
1 1032 . 8 1 1 A 77 77 ILE CB C 77 39.700 40.143 -0.443 1
1 1036 . 8 1 1 A 77 77 ILE N N 77 108.200 111.904 -3.704 1
1 1037 . 8 1 1 A 78 78 GLY H H 78 7.390 7.353 0.037 1
1 1038 . 8 1 1 A 78 78 GLY HA2 H 78 4.730 4.124 0.606 1
1 1039 . 8 1 1 A 78 78 GLY HA3 H 78 3.970 4.145 -0.175 1
1 1040 . 8 1 1 A 78 78 GLY C C 78 175.800 175.081 0.719 1
1 1041 . 8 1 1 A 78 78 GLY CA C 78 44.900 44.603 0.297 1
1 1042 . 8 1 1 A 78 78 GLY N N 78 112.200 109.818 2.382 1
1 1043 . 8 1 1 A 79 79 ILE H H 79 9.030 8.868 0.162 1
1 1044 . 8 1 1 A 79 79 ILE HA H 79 4.080 4.025 0.055 1
1 1054 . 8 1 1 A 79 79 ILE C C 79 174.700 177.895 -3.195 1
1 1055 . 8 1 1 A 79 79 ILE CA C 79 62.900 63.435 -0.535 1
1 1056 . 8 1 1 A 79 79 ILE CB C 79 38.600 38.002 0.598 1
1 1060 . 8 1 1 A 79 79 ILE N N 79 125.700 121.975 3.725 1
1 1061 . 8 1 1 A 80 80 GLU H H 80 9.480 8.149 1.331 1
1 1062 . 8 1 1 A 80 80 GLU HA H 80 4.070 3.997 0.073 1
1 1067 . 8 1 1 A 80 80 GLU C C 80 179.200 179.535 -0.335 1
1 1068 . 8 1 1 A 80 80 GLU CA C 80 59.700 59.254 0.446 1
1 1069 . 8 1 1 A 80 80 GLU CB C 80 28.100 29.668 -1.568 1
1 1071 . 8 1 1 A 80 80 GLU N N 80 122.400 121.532 0.868 1
1 1072 . 8 1 1 A 81 81 ASN H H 81 7.570 8.235 -0.665 1
1 1073 . 8 1 1 A 81 81 ASN HA H 81 4.580 4.533 0.047 1
1 1078 . 8 1 1 A 81 81 ASN C C 81 177.600 177.909 -0.309 1
1 1079 . 8 1 1 A 81 81 ASN CA C 81 55.600 56.316 -0.716 1
1 1080 . 8 1 1 A 81 81 ASN CB C 81 37.900 38.675 -0.775 1
1 1081 . 8 1 1 A 81 81 ASN N N 81 117.000 117.424 -0.424 1
1 1083 . 8 1 1 A 82 82 VAL H H 82 8.180 8.225 -0.045 1
1 1084 . 8 1 1 A 82 82 VAL HA H 82 3.590 3.526 0.064 1
1 1092 . 8 1 1 A 82 82 VAL C C 82 176.900 177.880 -0.980 1
1 1093 . 8 1 1 A 82 82 VAL CA C 82 66.800 66.751 0.049 1
1 1094 . 8 1 1 A 82 82 VAL CB C 82 31.100 31.720 -0.620 1
1 1097 . 8 1 1 A 82 82 VAL N N 82 120.900 120.488 0.412 1
1 1098 . 8 1 1 A 83 83 ASN H H 83 8.440 8.787 -0.347 1
1 1099 . 8 1 1 A 83 83 ASN HA H 83 4.440 4.469 -0.029 1
1 1104 . 8 1 1 A 83 83 ASN C C 83 177.700 177.819 -0.119 1
1 1105 . 8 1 1 A 83 83 ASN CA C 83 56.000 56.500 -0.500 1
1 1106 . 8 1 1 A 83 83 ASN CB C 83 37.000 37.656 -0.656 1
1 1107 . 8 1 1 A 83 83 ASN N N 83 120.500 118.847 1.653 1
1 1109 . 8 1 1 A 84 84 GLN H H 84 7.550 7.640 -0.090 1
1 1110 . 8 1 1 A 84 84 GLN HA H 84 4.050 4.111 -0.061 1
1 1117 . 8 1 1 A 84 84 GLN C C 84 179.000 178.502 0.498 1
1 1118 . 8 1 1 A 84 84 GLN CA C 84 58.900 58.711 0.189 1
1 1119 . 8 1 1 A 84 84 GLN CB C 84 28.300 28.126 0.174 1
1 1121 . 8 1 1 A 84 84 GLN N N 84 116.900 119.412 -2.512 1
1 1123 . 8 1 1 A 85 85 LEU H H 85 7.990 8.093 -0.103 1
1 1124 . 8 1 1 A 85 85 LEU HA H 85 4.080 4.170 -0.090 1
1 1134 . 8 1 1 A 85 85 LEU C C 85 180.400 179.630 0.770 1
1 1135 . 8 1 1 A 85 85 LEU CA C 85 58.200 58.148 0.052 1
1 1136 . 8 1 1 A 85 85 LEU CB C 85 41.700 41.537 0.163 1
1 1140 . 8 1 1 A 85 85 LEU N N 85 121.300 119.134 2.166 1
1 1141 . 8 1 1 A 86 86 ILE H H 86 8.630 8.331 0.299 1
1 1142 . 8 1 1 A 86 86 ILE HA H 86 3.560 3.630 -0.070 1
1 1152 . 8 1 1 A 86 86 ILE C C 86 177.700 178.434 -0.734 1
1 1153 . 8 1 1 A 86 86 ILE CA C 86 66.600 65.283 1.317 1
1 1154 . 8 1 1 A 86 86 ILE CB C 86 37.800 37.737 0.063 1
1 1158 . 8 1 1 A 86 86 ILE N N 86 122.000 120.770 1.230 1
1 1159 . 8 1 1 A 87 87 LEU H H 87 8.200 8.227 -0.027 1
1 1160 . 8 1 1 A 87 87 LEU HA H 87 4.010 4.103 -0.093 1
1 1170 . 8 1 1 A 87 87 LEU C C 87 179.000 178.768 0.232 1
1 1171 . 8 1 1 A 87 87 LEU CA C 87 58.200 58.134 0.066 1
1 1172 . 8 1 1 A 87 87 LEU CB C 87 40.800 41.518 -0.718 1
1 1176 . 8 1 1 A 87 87 LEU N N 87 118.300 118.125 0.175 1
1 1177 . 8 1 1 A 88 88 THR H H 88 8.420 8.252 0.168 1
1 1178 . 8 1 1 A 88 88 THR HA H 88 4.000 4.073 -0.073 1
1 1183 . 8 1 1 A 88 88 THR C C 88 176.300 177.161 -0.861 1
1 1184 . 8 1 1 A 88 88 THR CA C 88 66.500 66.128 0.372 1
1 1185 . 8 1 1 A 88 88 THR CB C 88 69.400 68.290 1.110 1
1 1187 . 8 1 1 A 88 88 THR N N 88 112.700 115.981 -3.281 1
1 1188 . 8 1 1 A 89 89 THR H H 89 7.690 7.935 -0.245 1
1 1189 . 8 1 1 A 89 89 THR HA H 89 4.040 4.021 0.019 1
1 1194 . 8 1 1 A 89 89 THR C C 89 175.500 176.742 -1.242 1
1 1195 . 8 1 1 A 89 89 THR CA C 89 67.100 66.993 0.107 1
1 1196 . 8 1 1 A 89 89 THR CB C 89 68.500 68.009 0.491 1
1 1198 . 8 1 1 A 89 89 THR N N 89 116.600 117.448 -0.848 1
1 1199 . 8 1 1 A 90 90 ILE H H 90 8.330 7.652 0.678 1
1 1200 . 8 1 1 A 90 90 ILE HA H 90 4.420 4.812 -0.392 1
1 1210 . 8 1 1 A 90 90 ILE C C 90 175.700 176.292 -0.592 1
1 1211 . 8 1 1 A 90 90 ILE CA C 90 62.000 61.956 0.044 1
1 1212 . 8 1 1 A 90 90 ILE CB C 90 38.500 38.031 0.469 1
1 1216 . 8 1 1 A 90 90 ILE N N 90 125.300 112.631 12.669 1
1 1217 . 8 1 1 A 91 91 LYS H H 91 7.450 7.149 0.301 1
1 1218 . 8 1 1 A 91 91 LYS HA H 91 3.970 4.064 -0.094 1
1 1227 . 8 1 1 A 91 91 LYS CA C 91 57.200 55.990 1.210 1
1 1228 . 8 1 1 A 91 91 LYS CB C 91 32.900 32.676 0.224 1
1 1 . 9 1 1 A 3 3 ILE H H 3 8.310 8.518 -0.208 1
1 2 . 9 1 1 A 3 3 ILE HA H 3 3.740 3.549 0.191 1
1 12 . 9 1 1 A 3 3 ILE C C 3 175.200 176.313 -1.113 1
1 13 . 9 1 1 A 3 3 ILE CA C 3 64.200 61.699 2.501 1
1 14 . 9 1 1 A 3 3 ILE CB C 3 37.400 40.611 -3.211 1
1 18 . 9 1 1 A 3 3 ILE N N 3 124.900 125.748 -0.848 1
1 19 . 9 1 1 A 4 4 LEU H H 4 7.270 7.698 -0.428 1
1 20 . 9 1 1 A 4 4 LEU HA H 4 3.680 4.101 -0.421 1
1 30 . 9 1 1 A 4 4 LEU C C 4 177.300 177.367 -0.067 1
1 31 . 9 1 1 A 4 4 LEU CA C 4 56.300 55.126 1.174 1
1 32 . 9 1 1 A 4 4 LEU CB C 4 41.100 41.087 0.013 1
1 36 . 9 1 1 A 4 4 LEU N N 4 116.100 121.067 -4.967 1
1 37 . 9 1 1 A 5 5 GLU H H 5 7.350 7.916 -0.566 1
1 38 . 9 1 1 A 5 5 GLU HA H 5 4.290 4.437 -0.147 1
1 43 . 9 1 1 A 5 5 GLU C C 5 176.300 175.996 0.304 1
1 44 . 9 1 1 A 5 5 GLU CA C 5 55.200 56.733 -1.533 1
1 45 . 9 1 1 A 5 5 GLU CB C 5 30.000 29.792 0.208 1
1 47 . 9 1 1 A 5 5 GLU N N 5 114.200 116.673 -2.473 1
1 48 . 9 1 1 A 6 6 ASP H H 6 7.860 7.493 0.367 1
1 49 . 9 1 1 A 6 6 ASP HA H 6 4.830 4.987 -0.157 1
1 52 . 9 1 1 A 6 6 ASP C C 6 175.500 175.699 -0.199 1
1 53 . 9 1 1 A 6 6 ASP CA C 6 53.000 50.868 2.132 1
1 54 . 9 1 1 A 6 6 ASP CB C 6 40.800 42.837 -2.037 1
1 55 . 9 1 1 A 6 6 ASP N N 6 125.000 122.667 2.333 1
1 56 . 9 1 1 A 7 7 PRO HA H 7 4.240 4.353 -0.113 1
1 63 . 9 1 1 A 7 7 PRO C C 7 179.000 178.131 0.869 1
1 64 . 9 1 1 A 7 7 PRO CA C 7 65.700 64.733 0.967 1
1 65 . 9 1 1 A 7 7 PRO CB C 7 32.300 32.155 0.145 1
1 68 . 9 1 1 A 8 8 GLU H H 8 9.250 8.647 0.603 1
1 69 . 9 1 1 A 8 8 GLU HA H 8 4.120 4.122 -0.002 1
1 74 . 9 1 1 A 8 8 GLU C C 8 178.100 179.087 -0.987 1
1 75 . 9 1 1 A 8 8 GLU CA C 8 60.000 58.915 1.085 1
1 76 . 9 1 1 A 8 8 GLU CB C 8 29.200 29.294 -0.094 1
1 78 . 9 1 1 A 8 8 GLU N N 8 117.600 118.056 -0.456 1
1 79 . 9 1 1 A 9 9 PHE H H 9 7.640 8.242 -0.602 1
1 80 . 9 1 1 A 9 9 PHE HA H 9 4.130 4.104 0.026 1
1 87 . 9 1 1 A 9 9 PHE C C 9 178.600 177.730 0.870 1
1 88 . 9 1 1 A 9 9 PHE CA C 9 62.200 61.102 1.098 1
1 89 . 9 1 1 A 9 9 PHE CB C 9 40.400 39.209 1.191 1
1 94 . 9 1 1 A 9 9 PHE N N 9 118.200 122.647 -4.447 1
1 95 . 9 1 1 A 10 10 VAL H H 10 8.220 7.749 0.471 1
1 96 . 9 1 1 A 10 10 VAL HA H 10 3.590 3.767 -0.177 1
1 104 . 9 1 1 A 10 10 VAL C C 10 179.400 177.701 1.699 1
1 105 . 9 1 1 A 10 10 VAL CA C 10 66.800 64.394 2.406 1
1 106 . 9 1 1 A 10 10 VAL CB C 10 31.700 31.381 0.319 1
1 109 . 9 1 1 A 10 10 VAL N N 10 120.300 118.840 1.460 1
1 110 . 9 1 1 A 11 11 LYS H H 11 7.760 7.492 0.268 1
1 111 . 9 1 1 A 11 11 LYS HA H 11 4.050 3.944 0.106 1
1 120 . 9 1 1 A 11 11 LYS C C 11 179.000 179.658 -0.658 1
1 121 . 9 1 1 A 11 11 LYS CA C 11 59.300 60.061 -0.761 1
1 122 . 9 1 1 A 11 11 LYS CB C 11 32.600 32.325 0.275 1
1 126 . 9 1 1 A 11 11 LYS N N 11 119.600 122.784 -3.184 1
1 127 . 9 1 1 A 12 12 LEU H H 12 7.750 8.283 -0.533 1
1 128 . 9 1 1 A 12 12 LEU HA H 12 4.190 3.986 0.204 1
1 138 . 9 1 1 A 12 12 LEU C C 12 178.400 179.308 -0.908 1
1 139 . 9 1 1 A 12 12 LEU CA C 12 57.800 57.871 -0.071 1
1 140 . 9 1 1 A 12 12 LEU CB C 12 41.900 41.275 0.625 1
1 144 . 9 1 1 A 12 12 LEU N N 12 119.900 120.201 -0.301 1
1 145 . 9 1 1 A 13 13 ARG H H 13 7.600 8.116 -0.516 1
1 146 . 9 1 1 A 13 13 ARG HA H 13 3.940 3.827 0.113 1
1 153 . 9 1 1 A 13 13 ARG C C 13 178.600 178.917 -0.317 1
1 154 . 9 1 1 A 13 13 ARG CA C 13 59.000 59.781 -0.781 1
1 155 . 9 1 1 A 13 13 ARG CB C 13 30.200 29.777 0.423 1
1 158 . 9 1 1 A 13 13 ARG N N 13 115.300 118.624 -3.324 1
1 159 . 9 1 1 A 14 14 GLN H H 14 7.770 7.538 0.232 1
1 160 . 9 1 1 A 14 14 GLN HA H 14 4.130 4.172 -0.042 1
1 167 . 9 1 1 A 14 14 GLN C C 14 176.500 176.910 -0.410 1
1 168 . 9 1 1 A 14 14 GLN CA C 14 57.100 58.556 -1.456 1
1 169 . 9 1 1 A 14 14 GLN CB C 14 28.200 29.299 -1.099 1
1 171 . 9 1 1 A 14 14 GLN N N 14 116.400 117.987 -1.587 1
1 173 . 9 1 1 A 15 15 PHE H H 15 8.030 7.736 0.294 1
1 174 . 9 1 1 A 15 15 PHE HA H 15 4.220 4.468 -0.248 1
1 181 . 9 1 1 A 15 15 PHE C C 15 175.200 175.804 -0.604 1
1 182 . 9 1 1 A 15 15 PHE CA C 15 59.100 59.457 -0.357 1
1 183 . 9 1 1 A 15 15 PHE CB C 15 38.800 39.412 -0.612 1
1 188 . 9 1 1 A 15 15 PHE N N 15 116.800 121.962 -5.162 1
1 189 . 9 1 1 A 16 16 LYS H H 16 7.470 7.104 0.366 1
1 190 . 9 1 1 A 16 16 LYS HA H 16 4.190 4.290 -0.100 1
1 191 . 9 1 1 A 16 16 LYS CA C 16 58.400 56.223 2.177 1
1 192 . 9 1 1 A 16 16 LYS CB C 16 33.300 33.552 -0.252 1
1 193 . 9 1 1 A 16 16 LYS N N 16 122.500 120.297 2.203 1
1 194 . 9 1 1 A 17 17 GLY HA2 H 17 3.920 3.890 0.030 1
1 195 . 9 1 1 A 17 17 GLY HA3 H 17 4.210 3.902 0.308 1
1 196 . 9 1 1 A 17 17 GLY C C 17 174.300 175.624 -1.324 1
1 197 . 9 1 1 A 17 17 GLY CA C 17 46.200 45.042 1.158 1
1 198 . 9 1 1 A 18 18 LYS H H 18 8.230 7.828 0.402 1
1 199 . 9 1 1 A 18 18 LYS HA H 18 4.550 4.176 0.374 1
1 208 . 9 1 1 A 18 18 LYS C C 18 175.800 175.569 0.231 1
1 209 . 9 1 1 A 18 18 LYS CA C 18 56.100 56.282 -0.182 1
1 210 . 9 1 1 A 18 18 LYS CB C 18 33.700 32.222 1.478 1
1 214 . 9 1 1 A 18 18 LYS N N 18 118.100 118.103 -0.003 1
1 215 . 9 1 1 A 19 19 VAL H H 19 7.150 7.124 0.026 1
1 216 . 9 1 1 A 19 19 VAL HA H 19 4.400 4.745 -0.345 1
1 224 . 9 1 1 A 19 19 VAL CA C 19 58.800 58.283 0.517 1
1 225 . 9 1 1 A 19 19 VAL CB C 19 34.300 34.757 -0.457 1
1 228 . 9 1 1 A 19 19 VAL N N 19 111.100 113.936 -2.836 1
1 229 . 9 1 1 A 20 20 ASN HA H 20 4.660 5.032 -0.372 1
1 234 . 9 1 1 A 20 20 ASN C C 20 174.600 176.052 -1.452 1
1 235 . 9 1 1 A 20 20 ASN CA C 20 52.700 52.475 0.225 1
1 236 . 9 1 1 A 20 20 ASN CB C 20 37.900 40.547 -2.647 1
1 238 . 9 1 1 A 21 21 PHE H H 21 8.580 9.142 -0.562 1
1 239 . 9 1 1 A 21 21 PHE HA H 21 3.730 4.007 -0.277 1
1 247 . 9 1 1 A 21 21 PHE C C 21 175.300 177.221 -1.921 1
1 248 . 9 1 1 A 21 21 PHE CA C 21 62.500 62.461 0.039 1
1 249 . 9 1 1 A 21 21 PHE CB C 21 40.400 39.326 1.074 1
1 255 . 9 1 1 A 21 21 PHE N N 21 128.200 127.680 0.520 1
1 256 . 9 1 1 A 22 22 ASN H H 22 8.220 8.309 -0.089 1
1 257 . 9 1 1 A 22 22 ASN HA H 22 4.300 4.399 -0.099 1
1 262 . 9 1 1 A 22 22 ASN C C 22 177.800 177.992 -0.192 1
1 263 . 9 1 1 A 22 22 ASN CA C 22 56.400 56.873 -0.473 1
1 264 . 9 1 1 A 22 22 ASN CB C 22 37.900 38.319 -0.419 1
1 265 . 9 1 1 A 22 22 ASN N N 22 114.600 117.973 -3.373 1
1 267 . 9 1 1 A 23 23 LEU H H 23 7.440 7.307 0.133 1
1 268 . 9 1 1 A 23 23 LEU HA H 23 4.190 4.072 0.118 1
1 278 . 9 1 1 A 23 23 LEU C C 23 177.800 178.451 -0.651 1
1 279 . 9 1 1 A 23 23 LEU CA C 23 56.900 57.968 -1.068 1
1 280 . 9 1 1 A 23 23 LEU CB C 23 41.400 41.784 -0.384 1
1 284 . 9 1 1 A 23 23 LEU N N 23 122.500 122.139 0.361 1
1 285 . 9 1 1 A 24 24 VAL H H 24 7.930 8.194 -0.264 1
1 286 . 9 1 1 A 24 24 VAL HA H 24 3.560 3.610 -0.050 1
1 294 . 9 1 1 A 24 24 VAL C C 24 177.500 177.448 0.052 1
1 295 . 9 1 1 A 24 24 VAL CA C 24 67.200 67.078 0.122 1
1 296 . 9 1 1 A 24 24 VAL CB C 24 31.000 31.339 -0.339 1
1 299 . 9 1 1 A 24 24 VAL N N 24 119.400 119.361 0.039 1
1 300 . 9 1 1 A 25 25 MET H H 25 8.020 8.239 -0.219 1
1 301 . 9 1 1 A 25 25 MET HA H 25 3.640 3.947 -0.307 1
1 309 . 9 1 1 A 25 25 MET C C 25 176.800 177.998 -1.198 1
1 310 . 9 1 1 A 25 25 MET CA C 25 60.000 58.394 1.606 1
1 311 . 9 1 1 A 25 25 MET CB C 25 32.900 31.260 1.640 1
1 314 . 9 1 1 A 25 25 MET N N 25 116.600 119.323 -2.723 1
1 315 . 9 1 1 A 26 26 GLN H H 26 7.530 8.217 -0.687 1
1 316 . 9 1 1 A 26 26 GLN HA H 26 4.050 4.075 -0.025 1
1 323 . 9 1 1 A 26 26 GLN C C 26 177.800 178.593 -0.793 1
1 324 . 9 1 1 A 26 26 GLN CA C 26 59.100 58.935 0.165 1
1 325 . 9 1 1 A 26 26 GLN CB C 26 28.100 28.177 -0.077 1
1 327 . 9 1 1 A 26 26 GLN N N 26 118.200 118.465 -0.265 1
1 329 . 9 1 1 A 27 27 ILE H H 27 8.230 8.511 -0.281 1
1 330 . 9 1 1 A 27 27 ILE HA H 27 3.350 3.384 -0.034 1
1 340 . 9 1 1 A 27 27 ILE C C 27 177.700 178.204 -0.504 1
1 341 . 9 1 1 A 27 27 ILE CA C 27 65.900 65.923 -0.023 1
1 342 . 9 1 1 A 27 27 ILE CB C 27 37.900 38.365 -0.465 1
1 346 . 9 1 1 A 27 27 ILE N N 27 120.700 120.736 -0.036 1
1 347 . 9 1 1 A 28 28 LEU H H 28 8.550 8.605 -0.055 1
1 348 . 9 1 1 A 28 28 LEU HA H 28 4.020 3.951 0.069 1
1 358 . 9 1 1 A 28 28 LEU C C 28 179.900 179.486 0.414 1
1 359 . 9 1 1 A 28 28 LEU CA C 28 58.400 58.205 0.195 1
1 360 . 9 1 1 A 28 28 LEU CB C 28 39.700 40.674 -0.974 1
1 364 . 9 1 1 A 28 28 LEU N N 28 118.900 118.560 0.340 1
1 365 . 9 1 1 A 29 29 ASP H H 29 8.470 8.594 -0.124 1
1 366 . 9 1 1 A 29 29 ASP HA H 29 4.440 4.296 0.144 1
1 369 . 9 1 1 A 29 29 ASP C C 29 179.600 178.336 1.264 1
1 370 . 9 1 1 A 29 29 ASP CA C 29 57.400 57.614 -0.214 1
1 371 . 9 1 1 A 29 29 ASP CB C 29 40.400 41.296 -0.896 1
1 372 . 9 1 1 A 29 29 ASP N N 29 120.700 119.682 1.018 1
1 373 . 9 1 1 A 30 30 GLU H H 30 8.630 8.619 0.011 1
1 374 . 9 1 1 A 30 30 GLU HA H 30 3.980 4.076 -0.096 1
1 379 . 9 1 1 A 30 30 GLU C C 30 180.600 179.062 1.538 1
1 380 . 9 1 1 A 30 30 GLU CA C 30 60.000 59.197 0.803 1
1 381 . 9 1 1 A 30 30 GLU CB C 30 29.900 29.555 0.345 1
1 383 . 9 1 1 A 30 30 GLU N N 30 120.800 118.825 1.975 1
1 384 . 9 1 1 A 31 31 ILE H H 31 8.520 7.749 0.771 1
1 385 . 9 1 1 A 31 31 ILE HA H 31 3.540 3.877 -0.337 1
1 395 . 9 1 1 A 31 31 ILE C C 31 176.400 178.018 -1.618 1
1 396 . 9 1 1 A 31 31 ILE CA C 31 66.600 63.914 2.686 1
1 397 . 9 1 1 A 31 31 ILE CB C 31 37.800 37.567 0.233 1
1 401 . 9 1 1 A 31 31 ILE N N 31 123.100 120.106 2.994 1
1 402 . 9 1 1 A 32 32 GLU H H 32 8.070 8.270 -0.200 1
1 403 . 9 1 1 A 32 32 GLU HA H 32 3.730 3.987 -0.257 1
1 408 . 9 1 1 A 32 32 GLU C C 32 178.400 178.986 -0.586 1
1 409 . 9 1 1 A 32 32 GLU CA C 32 60.800 59.378 1.422 1
1 410 . 9 1 1 A 32 32 GLU CB C 32 28.800 29.484 -0.684 1
1 412 . 9 1 1 A 32 32 GLU N N 32 120.300 121.536 -1.236 1
1 413 . 9 1 1 A 33 33 LEU H H 33 8.160 8.513 -0.353 1
1 414 . 9 1 1 A 33 33 LEU HA H 33 3.980 3.962 0.018 1
1 424 . 9 1 1 A 33 33 LEU C C 33 180.100 178.286 1.814 1
1 425 . 9 1 1 A 33 33 LEU CA C 33 58.000 58.019 -0.019 1
1 426 . 9 1 1 A 33 33 LEU CB C 33 42.100 41.120 0.980 1
1 430 . 9 1 1 A 33 33 LEU N N 33 117.900 120.347 -2.447 1
1 431 . 9 1 1 A 34 34 ASP H H 34 8.200 7.928 0.272 1
1 432 . 9 1 1 A 34 34 ASP HA H 34 4.290 4.369 -0.079 1
1 435 . 9 1 1 A 34 34 ASP C C 34 178.600 178.279 0.321 1
1 436 . 9 1 1 A 34 34 ASP CA C 34 58.200 57.613 0.587 1
1 437 . 9 1 1 A 34 34 ASP CB C 34 42.800 41.165 1.635 1
1 438 . 9 1 1 A 34 34 ASP N N 34 120.500 119.944 0.556 1
1 439 . 9 1 1 A 35 35 LEU H H 35 8.630 8.301 0.329 1
1 440 . 9 1 1 A 35 35 LEU HA H 35 4.360 4.366 -0.006 1
1 450 . 9 1 1 A 35 35 LEU C C 35 179.000 178.554 0.446 1
1 451 . 9 1 1 A 35 35 LEU CA C 35 56.400 57.485 -1.085 1
1 452 . 9 1 1 A 35 35 LEU CB C 35 42.800 41.362 1.438 1
1 456 . 9 1 1 A 35 35 LEU N N 35 121.300 120.483 0.817 1
1 457 . 9 1 1 A 36 36 ARG H H 36 7.410 8.160 -0.750 1
1 458 . 9 1 1 A 36 36 ARG HA H 36 4.050 4.035 0.015 1
1 465 . 9 1 1 A 36 36 ARG C C 36 177.800 177.917 -0.117 1
1 466 . 9 1 1 A 36 36 ARG CA C 36 59.000 59.654 -0.654 1
1 467 . 9 1 1 A 36 36 ARG CB C 36 30.000 30.119 -0.119 1
1 470 . 9 1 1 A 36 36 ARG N N 36 117.000 119.874 -2.874 1
1 471 . 9 1 1 A 37 37 GLY H H 37 7.580 7.935 -0.355 1
1 472 . 9 1 1 A 37 37 GLY HA2 H 37 3.830 4.068 -0.238 1
1 473 . 9 1 1 A 37 37 GLY HA3 H 37 4.280 4.075 0.205 1
1 474 . 9 1 1 A 37 37 GLY C C 37 174.800 173.887 0.913 1
1 475 . 9 1 1 A 37 37 GLY CA C 37 45.200 45.602 -0.402 1
1 476 . 9 1 1 A 37 37 GLY N N 37 103.600 106.922 -3.322 1
1 477 . 9 1 1 A 38 38 SER H H 38 8.380 7.559 0.821 1
1 478 . 9 1 1 A 38 38 SER HA H 38 4.330 4.767 -0.437 1
1 481 . 9 1 1 A 38 38 SER C C 38 175.100 173.590 1.510 1
1 482 . 9 1 1 A 38 38 SER CA C 38 58.700 57.749 0.951 1
1 483 . 9 1 1 A 38 38 SER CB C 38 63.800 63.450 0.350 1
1 484 . 9 1 1 A 38 38 SER N N 38 117.800 114.180 3.620 1
1 485 . 9 1 1 A 39 39 ASP H H 39 8.520 7.665 0.855 1
1 486 . 9 1 1 A 39 39 ASP HA H 39 4.470 4.889 -0.419 1
1 489 . 9 1 1 A 39 39 ASP C C 39 175.300 175.480 -0.180 1
1 490 . 9 1 1 A 39 39 ASP CA C 39 55.400 55.664 -0.264 1
1 491 . 9 1 1 A 39 39 ASP CB C 39 41.500 43.046 -1.546 1
1 492 . 9 1 1 A 39 39 ASP N N 39 120.500 120.602 -0.102 1
1 493 . 9 1 1 A 40 40 ASN H H 40 8.230 8.104 0.126 1
1 494 . 9 1 1 A 40 40 ASN HA H 40 4.800 4.891 -0.091 1
1 499 . 9 1 1 A 40 40 ASN C C 40 174.600 175.164 -0.564 1
1 500 . 9 1 1 A 40 40 ASN CA C 40 52.900 52.362 0.538 1
1 501 . 9 1 1 A 40 40 ASN CB C 40 39.500 39.177 0.323 1
1 502 . 9 1 1 A 40 40 ASN N N 40 116.100 117.396 -1.296 1
1 504 . 9 1 1 A 41 41 ILE H H 41 8.340 8.575 -0.235 1
1 505 . 9 1 1 A 41 41 ILE HA H 41 3.840 3.832 0.008 1
1 515 . 9 1 1 A 41 41 ILE C C 41 175.000 177.240 -2.240 1
1 516 . 9 1 1 A 41 41 ILE CA C 41 62.500 62.800 -0.300 1
1 517 . 9 1 1 A 41 41 ILE CB C 41 37.600 37.779 -0.179 1
1 521 . 9 1 1 A 41 41 ILE N N 41 124.800 127.342 -2.542 1
1 522 . 9 1 1 A 42 42 LYS H H 42 7.790 8.202 -0.412 1
1 523 . 9 1 1 A 42 42 LYS HA H 42 3.780 3.942 -0.162 1
1 532 . 9 1 1 A 42 42 LYS C C 42 178.300 178.811 -0.511 1
1 533 . 9 1 1 A 42 42 LYS CA C 42 60.200 58.866 1.334 1
1 534 . 9 1 1 A 42 42 LYS CB C 42 31.800 31.557 0.243 1
1 538 . 9 1 1 A 42 42 LYS N N 42 122.100 120.299 1.801 1
1 539 . 9 1 1 A 43 43 THR H H 43 7.500 7.911 -0.411 1
1 540 . 9 1 1 A 43 43 THR HA H 43 3.790 3.673 0.117 1
1 545 . 9 1 1 A 43 43 THR C C 43 177.100 175.735 1.365 1
1 546 . 9 1 1 A 43 43 THR CA C 43 65.900 66.445 -0.545 1
1 547 . 9 1 1 A 43 43 THR CB C 43 68.400 68.429 -0.029 1
1 549 . 9 1 1 A 43 43 THR N N 43 112.900 117.327 -4.427 1
1 550 . 9 1 1 A 44 44 SER H H 44 7.860 7.936 -0.076 1
1 551 . 9 1 1 A 44 44 SER HA H 44 4.570 4.295 0.275 1
1 554 . 9 1 1 A 44 44 SER C C 44 175.100 175.961 -0.861 1
1 555 . 9 1 1 A 44 44 SER CA C 44 63.600 62.169 1.431 1
1 556 . 9 1 1 A 44 44 SER CB C 44 63.900 62.956 0.944 1
1 557 . 9 1 1 A 44 44 SER N N 44 119.700 117.279 2.421 1
1 558 . 9 1 1 A 45 45 ILE H H 45 8.240 7.898 0.342 1
1 559 . 9 1 1 A 45 45 ILE HA H 45 3.140 3.402 -0.262 1
1 569 . 9 1 1 A 45 45 ILE C C 45 176.500 177.850 -1.350 1
1 570 . 9 1 1 A 45 45 ILE CA C 45 66.200 64.815 1.385 1
1 571 . 9 1 1 A 45 45 ILE CB C 45 37.800 37.507 0.293 1
1 575 . 9 1 1 A 45 45 ILE N N 45 121.300 120.675 0.625 1
1 576 . 9 1 1 A 46 46 ILE H H 46 7.680 7.585 0.095 1
1 577 . 9 1 1 A 46 46 ILE HA H 46 3.480 3.459 0.021 1
1 587 . 9 1 1 A 46 46 ILE C C 46 178.900 177.616 1.284 1
1 588 . 9 1 1 A 46 46 ILE CA C 46 65.300 65.106 0.194 1
1 589 . 9 1 1 A 46 46 ILE CB C 46 37.800 37.827 -0.027 1
1 593 . 9 1 1 A 46 46 ILE N N 46 117.100 119.702 -2.602 1
1 594 . 9 1 1 A 47 47 TYR H H 47 8.400 7.440 0.960 1
1 595 . 9 1 1 A 47 47 TYR HA H 47 4.190 4.413 -0.223 1
1 602 . 9 1 1 A 47 47 TYR C C 47 178.700 178.462 0.238 1
1 603 . 9 1 1 A 47 47 TYR CA C 47 61.300 60.880 0.420 1
1 604 . 9 1 1 A 47 47 TYR CB C 47 38.400 38.369 0.031 1
1 609 . 9 1 1 A 47 47 TYR N N 47 120.900 119.931 0.969 1
1 610 . 9 1 1 A 48 48 VAL H H 48 8.480 7.679 0.801 1
1 611 . 9 1 1 A 48 48 VAL HA H 48 3.560 3.796 -0.236 1
1 619 . 9 1 1 A 48 48 VAL C C 48 179.600 177.848 1.752 1
1 620 . 9 1 1 A 48 48 VAL CA C 48 67.000 66.119 0.881 1
1 621 . 9 1 1 A 48 48 VAL CB C 48 31.700 31.886 -0.186 1
1 624 . 9 1 1 A 48 48 VAL N N 48 121.600 119.528 2.072 1
1 625 . 9 1 1 A 49 49 TYR H H 49 9.630 8.397 1.233 1
1 626 . 9 1 1 A 49 49 TYR HA H 49 4.080 4.165 -0.085 1
1 633 . 9 1 1 A 49 49 TYR C C 49 179.300 178.465 0.835 1
1 634 . 9 1 1 A 49 49 TYR CA C 49 59.900 60.364 -0.464 1
1 635 . 9 1 1 A 49 49 TYR CB C 49 35.300 37.674 -2.374 1
1 640 . 9 1 1 A 49 49 TYR N N 49 122.000 119.354 2.646 1
1 641 . 9 1 1 A 50 50 SER H H 50 8.120 8.535 -0.415 1
1 642 . 9 1 1 A 50 50 SER HA H 50 4.130 4.264 -0.134 1
1 645 . 9 1 1 A 50 50 SER C C 50 175.700 176.301 -0.601 1
1 646 . 9 1 1 A 50 50 SER CA C 50 62.000 61.123 0.877 1
1 647 . 9 1 1 A 50 50 SER CB C 50 62.900 63.174 -0.274 1
1 648 . 9 1 1 A 50 50 SER N N 50 112.600 115.081 -2.481 1
1 649 . 9 1 1 A 51 51 SER H H 51 7.510 7.847 -0.337 1
1 650 . 9 1 1 A 51 51 SER HA H 51 4.350 4.478 -0.128 1
1 653 . 9 1 1 A 51 51 SER C C 51 173.600 175.085 -1.485 1
1 654 . 9 1 1 A 51 51 SER CA C 51 59.500 58.840 0.660 1
1 655 . 9 1 1 A 51 51 SER CB C 51 63.300 63.965 -0.665 1
1 656 . 9 1 1 A 51 51 SER N N 51 116.800 114.198 2.602 1
1 657 . 9 1 1 A 52 52 HIS H H 52 7.590 7.752 -0.162 1
1 658 . 9 1 1 A 52 52 HIS HA H 52 4.890 4.936 -0.046 1
1 663 . 9 1 1 A 52 52 HIS C C 52 175.200 175.593 -0.393 1
1 664 . 9 1 1 A 52 52 HIS CA C 52 54.100 55.101 -1.001 1
1 665 . 9 1 1 A 52 52 HIS CB C 52 29.500 29.691 -0.191 1
1 668 . 9 1 1 A 52 52 HIS N N 52 120.500 118.413 2.087 1
1 669 . 9 1 1 A 53 53 LEU H H 53 7.440 7.814 -0.374 1
1 670 . 9 1 1 A 53 53 LEU HA H 53 3.870 3.792 0.078 1
1 680 . 9 1 1 A 53 53 LEU C C 53 177.900 178.585 -0.685 1
1 681 . 9 1 1 A 53 53 LEU CA C 53 59.100 58.406 0.694 1
1 682 . 9 1 1 A 53 53 LEU CB C 53 42.300 41.391 0.909 1
1 686 . 9 1 1 A 53 53 LEU N N 53 121.400 121.173 0.227 1
1 687 . 9 1 1 A 54 54 ASP H H 54 8.400 8.221 0.179 1
1 688 . 9 1 1 A 54 54 ASP HA H 54 4.290 4.260 0.030 1
1 691 . 9 1 1 A 54 54 ASP C C 54 177.900 178.407 -0.507 1
1 692 . 9 1 1 A 54 54 ASP CA C 54 57.600 57.946 -0.346 1
1 693 . 9 1 1 A 54 54 ASP CB C 54 40.200 41.345 -1.145 1
1 694 . 9 1 1 A 54 54 ASP N N 54 115.900 118.811 -2.911 1
1 695 . 9 1 1 A 55 55 GLU H H 55 7.500 8.171 -0.671 1
1 696 . 9 1 1 A 55 55 GLU HA H 55 4.310 4.079 0.231 1
1 701 . 9 1 1 A 55 55 GLU C C 55 178.300 179.118 -0.818 1
1 702 . 9 1 1 A 55 55 GLU CA C 55 57.800 59.095 -1.295 1
1 703 . 9 1 1 A 55 55 GLU CB C 55 29.100 29.670 -0.570 1
1 705 . 9 1 1 A 55 55 GLU N N 55 120.100 119.048 1.052 1
1 706 . 9 1 1 A 56 56 ILE H H 56 7.720 8.544 -0.824 1
1 707 . 9 1 1 A 56 56 ILE HA H 56 3.440 3.643 -0.203 1
1 717 . 9 1 1 A 56 56 ILE C C 56 178.600 178.066 0.534 1
1 718 . 9 1 1 A 56 56 ILE CA C 56 62.500 65.545 -3.045 1
1 719 . 9 1 1 A 56 56 ILE CB C 56 36.200 37.693 -1.493 1
1 723 . 9 1 1 A 56 56 ILE N N 56 119.600 119.558 0.042 1
1 724 . 9 1 1 A 57 57 ARG H H 57 8.200 8.595 -0.395 1
1 725 . 9 1 1 A 57 57 ARG HA H 57 3.930 4.012 -0.082 1
1 732 . 9 1 1 A 57 57 ARG C C 57 178.800 178.932 -0.132 1
1 733 . 9 1 1 A 57 57 ARG CA C 57 59.000 59.794 -0.794 1
1 734 . 9 1 1 A 57 57 ARG CB C 57 30.100 29.861 0.239 1
1 737 . 9 1 1 A 57 57 ARG N N 57 115.500 120.360 -4.860 1
1 738 . 9 1 1 A 58 58 LYS H H 58 7.400 7.789 -0.389 1
1 739 . 9 1 1 A 58 58 LYS HA H 58 4.210 4.195 0.015 1
1 748 . 9 1 1 A 58 58 LYS C C 58 176.800 177.332 -0.532 1
1 749 . 9 1 1 A 58 58 LYS CA C 58 58.100 59.542 -1.442 1
1 750 . 9 1 1 A 58 58 LYS CB C 58 33.100 32.387 0.713 1
1 754 . 9 1 1 A 58 58 LYS N N 58 117.400 119.999 -2.599 1
1 755 . 9 1 1 A 59 59 ASN H H 59 7.630 7.777 -0.147 1
1 756 . 9 1 1 A 59 59 ASN HA H 59 5.310 5.371 -0.061 1
1 761 . 9 1 1 A 59 59 ASN C C 59 174.900 175.003 -0.103 1
1 762 . 9 1 1 A 59 59 ASN CA C 59 52.100 52.338 -0.238 1
1 763 . 9 1 1 A 59 59 ASN CB C 59 40.200 38.618 1.582 1
1 764 . 9 1 1 A 59 59 ASN N N 59 119.200 115.770 3.430 1
1 766 . 9 1 1 A 60 60 LYS H H 60 7.460 8.357 -0.897 1
1 767 . 9 1 1 A 60 60 LYS HA H 60 4.070 4.325 -0.255 1
1 776 . 9 1 1 A 60 60 LYS C C 60 177.900 178.451 -0.551 1
1 777 . 9 1 1 A 60 60 LYS CA C 60 61.100 59.411 1.689 1
1 778 . 9 1 1 A 60 60 LYS CB C 60 33.300 31.875 1.425 1
1 782 . 9 1 1 A 60 60 LYS N N 60 122.700 119.401 3.299 1
1 783 . 9 1 1 A 61 61 GLU H H 61 8.660 7.948 0.712 1
1 784 . 9 1 1 A 61 61 GLU HA H 61 4.080 3.907 0.173 1
1 789 . 9 1 1 A 61 61 GLU C C 61 178.900 178.778 0.122 1
1 790 . 9 1 1 A 61 61 GLU CA C 61 60.100 59.113 0.987 1
1 791 . 9 1 1 A 61 61 GLU CB C 61 29.100 28.866 0.234 1
1 793 . 9 1 1 A 61 61 GLU N N 61 117.300 119.649 -2.349 1
1 794 . 9 1 1 A 62 62 PHE H H 62 7.670 8.105 -0.435 1
1 795 . 9 1 1 A 62 62 PHE HA H 62 3.420 4.246 -0.826 1
1 803 . 9 1 1 A 62 62 PHE C C 62 176.200 176.939 -0.739 1
1 804 . 9 1 1 A 62 62 PHE CA C 62 60.900 61.428 -0.528 1
1 805 . 9 1 1 A 62 62 PHE CB C 62 38.300 39.078 -0.778 1
1 811 . 9 1 1 A 62 62 PHE N N 62 119.300 121.251 -1.951 1
1 812 . 9 1 1 A 63 63 TYR H H 63 7.850 8.418 -0.568 1
1 813 . 9 1 1 A 63 63 TYR HA H 63 3.870 4.180 -0.310 1
1 820 . 9 1 1 A 63 63 TYR C C 63 180.200 177.775 2.425 1
1 821 . 9 1 1 A 63 63 TYR CA C 63 63.500 62.160 1.340 1
1 822 . 9 1 1 A 63 63 TYR CB C 63 37.100 37.465 -0.365 1
1 827 . 9 1 1 A 63 63 TYR N N 63 116.500 117.785 -1.285 1
1 828 . 9 1 1 A 64 64 ASP H H 64 9.110 8.874 0.236 1
1 829 . 9 1 1 A 64 64 ASP HA H 64 4.650 4.448 0.202 1
1 832 . 9 1 1 A 64 64 ASP C C 64 178.700 178.583 0.117 1
1 833 . 9 1 1 A 64 64 ASP CA C 64 57.600 57.521 0.079 1
1 834 . 9 1 1 A 64 64 ASP CB C 64 39.800 41.134 -1.334 1
1 835 . 9 1 1 A 64 64 ASP N N 64 126.100 120.870 5.230 1
1 836 . 9 1 1 A 65 65 MET H H 65 7.600 8.144 -0.544 1
1 837 . 9 1 1 A 65 65 MET HA H 65 4.140 4.174 -0.034 1
1 845 . 9 1 1 A 65 65 MET C C 65 178.800 177.955 0.845 1
1 846 . 9 1 1 A 65 65 MET CA C 65 59.300 58.777 0.523 1
1 847 . 9 1 1 A 65 65 MET CB C 65 32.800 33.014 -0.214 1
1 850 . 9 1 1 A 65 65 MET N N 65 121.100 117.716 3.384 1
1 851 . 9 1 1 A 66 66 ILE H H 66 7.910 7.922 -0.012 1
1 852 . 9 1 1 A 66 66 ILE HA H 66 3.430 3.818 -0.388 1
1 862 . 9 1 1 A 66 66 ILE C C 66 177.000 177.984 -0.984 1
1 863 . 9 1 1 A 66 66 ILE CA C 66 64.500 64.237 0.263 1
1 864 . 9 1 1 A 66 66 ILE CB C 66 36.700 37.476 -0.776 1
1 868 . 9 1 1 A 66 66 ILE N N 66 116.900 116.238 0.662 1
1 869 . 9 1 1 A 67 67 ALA H H 67 7.660 8.455 -0.795 1
1 870 . 9 1 1 A 67 67 ALA HA H 67 3.940 3.907 0.033 1
1 874 . 9 1 1 A 67 67 ALA C C 67 180.200 179.558 0.642 1
1 875 . 9 1 1 A 67 67 ALA CA C 67 55.600 55.397 0.203 1
1 876 . 9 1 1 A 67 67 ALA CB C 67 18.000 18.120 -0.120 1
1 877 . 9 1 1 A 67 67 ALA N N 67 120.700 123.511 -2.811 1
1 878 . 9 1 1 A 68 68 GLU H H 68 7.660 7.800 -0.140 1
1 879 . 9 1 1 A 68 68 GLU HA H 68 4.040 4.087 -0.047 1
1 884 . 9 1 1 A 68 68 GLU C C 68 179.000 179.115 -0.115 1
1 885 . 9 1 1 A 68 68 GLU CA C 68 59.300 59.219 0.081 1
1 886 . 9 1 1 A 68 68 GLU CB C 68 29.500 29.359 0.141 1
1 888 . 9 1 1 A 68 68 GLU N N 68 118.700 118.506 0.194 1
1 889 . 9 1 1 A 69 69 ILE H H 69 8.240 8.158 0.082 1
1 890 . 9 1 1 A 69 69 ILE HA H 69 3.630 3.819 -0.189 1
1 900 . 9 1 1 A 69 69 ILE C C 69 178.200 178.622 -0.422 1
1 901 . 9 1 1 A 69 69 ILE CA C 69 65.700 65.386 0.314 1
1 902 . 9 1 1 A 69 69 ILE CB C 69 38.100 37.559 0.541 1
1 906 . 9 1 1 A 69 69 ILE N N 69 120.700 119.307 1.393 1
1 907 . 9 1 1 A 70 70 LEU H H 70 8.770 8.944 -0.174 1
1 908 . 9 1 1 A 70 70 LEU HA H 70 3.960 3.925 0.035 1
1 918 . 9 1 1 A 70 70 LEU C C 70 179.300 179.583 -0.283 1
1 919 . 9 1 1 A 70 70 LEU CA C 70 59.100 58.361 0.739 1
1 920 . 9 1 1 A 70 70 LEU CB C 70 43.000 41.684 1.316 1
1 924 . 9 1 1 A 70 70 LEU N N 70 119.100 120.786 -1.686 1
1 925 . 9 1 1 A 71 71 GLN H H 71 7.660 7.825 -0.165 1
1 926 . 9 1 1 A 71 71 GLN HA H 71 3.960 4.082 -0.122 1
1 933 . 9 1 1 A 71 71 GLN C C 71 177.700 178.623 -0.923 1
1 934 . 9 1 1 A 71 71 GLN CA C 71 59.800 59.263 0.537 1
1 935 . 9 1 1 A 71 71 GLN CB C 71 30.000 28.510 1.490 1
1 937 . 9 1 1 A 71 71 GLN N N 71 114.200 117.806 -3.606 1
1 939 . 9 1 1 A 72 72 ARG H H 72 8.180 7.973 0.207 1
1 940 . 9 1 1 A 72 72 ARG HA H 72 4.000 4.020 -0.020 1
1 947 . 9 1 1 A 72 72 ARG C C 72 178.900 177.843 1.057 1
1 948 . 9 1 1 A 72 72 ARG CA C 72 58.900 58.953 -0.053 1
1 949 . 9 1 1 A 72 72 ARG CB C 72 31.100 29.979 1.121 1
1 952 . 9 1 1 A 72 72 ARG N N 72 118.300 120.656 -2.356 1
1 953 . 9 1 1 A 73 73 TYR H H 73 7.970 8.143 -0.173 1
1 954 . 9 1 1 A 73 73 TYR HA H 73 4.800 4.358 0.442 1
1 961 . 9 1 1 A 73 73 TYR C C 73 178.000 177.682 0.318 1
1 962 . 9 1 1 A 73 73 TYR CA C 73 60.100 59.642 0.458 1
1 963 . 9 1 1 A 73 73 TYR CB C 73 41.200 38.770 2.430 1
1 968 . 9 1 1 A 73 73 TYR N N 73 111.500 117.944 -6.444 1
1 969 . 9 1 1 A 74 74 TYR H H 74 8.750 8.114 0.636 1
1 970 . 9 1 1 A 74 74 TYR HA H 74 4.080 4.549 -0.469 1
1 977 . 9 1 1 A 74 74 TYR C C 74 176.600 177.552 -0.952 1
1 978 . 9 1 1 A 74 74 TYR CA C 74 62.400 61.167 1.233 1
1 979 . 9 1 1 A 74 74 TYR CB C 74 36.100 38.623 -2.523 1
1 984 . 9 1 1 A 74 74 TYR N N 74 121.500 120.506 0.994 1
1 985 . 9 1 1 A 75 75 LYS H H 75 7.760 7.635 0.125 1
1 986 . 9 1 1 A 75 75 LYS HA H 75 3.710 3.731 -0.021 1
1 995 . 9 1 1 A 75 75 LYS C C 75 177.500 178.215 -0.715 1
1 996 . 9 1 1 A 75 75 LYS CA C 75 57.600 58.502 -0.902 1
1 997 . 9 1 1 A 75 75 LYS CB C 75 31.800 32.303 -0.503 1
1 1001 . 9 1 1 A 75 75 LYS N N 75 120.300 118.761 1.539 1
1 1002 . 9 1 1 A 76 76 LYS H H 76 7.510 7.753 -0.243 1
1 1003 . 9 1 1 A 76 76 LYS HA H 76 4.230 4.173 0.057 1
1 1012 . 9 1 1 A 76 76 LYS C C 76 177.900 177.927 -0.027 1
1 1013 . 9 1 1 A 76 76 LYS CA C 76 58.300 58.504 -0.204 1
1 1014 . 9 1 1 A 76 76 LYS CB C 76 33.700 33.105 0.595 1
1 1018 . 9 1 1 A 76 76 LYS N N 76 118.000 119.512 -1.512 1
1 1019 . 9 1 1 A 77 77 ILE H H 77 7.610 8.309 -0.699 1
1 1020 . 9 1 1 A 77 77 ILE HA H 77 4.670 4.474 0.196 1
1 1030 . 9 1 1 A 77 77 ILE C C 77 176.000 175.659 0.341 1
1 1031 . 9 1 1 A 77 77 ILE CA C 77 60.600 61.149 -0.549 1
1 1032 . 9 1 1 A 77 77 ILE CB C 77 39.700 40.147 -0.447 1
1 1036 . 9 1 1 A 77 77 ILE N N 77 108.200 111.989 -3.789 1
1 1037 . 9 1 1 A 78 78 GLY H H 78 7.390 6.974 0.416 1
1 1038 . 9 1 1 A 78 78 GLY HA2 H 78 4.730 4.136 0.594 1
1 1039 . 9 1 1 A 78 78 GLY HA3 H 78 3.970 4.137 -0.167 1
1 1040 . 9 1 1 A 78 78 GLY C C 78 175.800 174.518 1.282 1
1 1041 . 9 1 1 A 78 78 GLY CA C 78 44.900 44.383 0.517 1
1 1042 . 9 1 1 A 78 78 GLY N N 78 112.200 109.375 2.825 1
1 1043 . 9 1 1 A 79 79 ILE H H 79 9.030 8.821 0.209 1
1 1044 . 9 1 1 A 79 79 ILE HA H 79 4.080 4.166 -0.086 1
1 1054 . 9 1 1 A 79 79 ILE C C 79 174.700 177.019 -2.319 1
1 1055 . 9 1 1 A 79 79 ILE CA C 79 62.900 63.174 -0.274 1
1 1056 . 9 1 1 A 79 79 ILE CB C 79 38.600 38.706 -0.106 1
1 1060 . 9 1 1 A 79 79 ILE N N 79 125.700 121.117 4.583 1
1 1061 . 9 1 1 A 80 80 GLU H H 80 9.480 8.481 0.999 1
1 1062 . 9 1 1 A 80 80 GLU HA H 80 4.070 4.160 -0.090 1
1 1067 . 9 1 1 A 80 80 GLU C C 80 179.200 178.679 0.521 1
1 1068 . 9 1 1 A 80 80 GLU CA C 80 59.700 59.516 0.184 1
1 1069 . 9 1 1 A 80 80 GLU CB C 80 28.100 29.172 -1.072 1
1 1071 . 9 1 1 A 80 80 GLU N N 80 122.400 121.562 0.838 1
1 1072 . 9 1 1 A 81 81 ASN H H 81 7.570 8.033 -0.463 1
1 1073 . 9 1 1 A 81 81 ASN HA H 81 4.580 4.571 0.009 1
1 1078 . 9 1 1 A 81 81 ASN C C 81 177.600 177.902 -0.302 1
1 1079 . 9 1 1 A 81 81 ASN CA C 81 55.600 56.279 -0.679 1
1 1080 . 9 1 1 A 81 81 ASN CB C 81 37.900 38.933 -1.033 1
1 1081 . 9 1 1 A 81 81 ASN N N 81 117.000 117.263 -0.263 1
1 1083 . 9 1 1 A 82 82 VAL H H 82 8.180 8.050 0.130 1
1 1084 . 9 1 1 A 82 82 VAL HA H 82 3.590 3.520 0.070 1
1 1092 . 9 1 1 A 82 82 VAL C C 82 176.900 177.842 -0.942 1
1 1093 . 9 1 1 A 82 82 VAL CA C 82 66.800 66.769 0.031 1
1 1094 . 9 1 1 A 82 82 VAL CB C 82 31.100 31.459 -0.359 1
1 1097 . 9 1 1 A 82 82 VAL N N 82 120.900 120.349 0.551 1
1 1098 . 9 1 1 A 83 83 ASN H H 83 8.440 8.917 -0.477 1
1 1099 . 9 1 1 A 83 83 ASN HA H 83 4.440 4.453 -0.013 1
1 1104 . 9 1 1 A 83 83 ASN C C 83 177.700 177.893 -0.193 1
1 1105 . 9 1 1 A 83 83 ASN CA C 83 56.000 56.489 -0.489 1
1 1106 . 9 1 1 A 83 83 ASN CB C 83 37.000 37.531 -0.531 1
1 1107 . 9 1 1 A 83 83 ASN N N 83 120.500 118.640 1.860 1
1 1109 . 9 1 1 A 84 84 GLN H H 84 7.550 7.575 -0.025 1
1 1110 . 9 1 1 A 84 84 GLN HA H 84 4.050 4.068 -0.018 1
1 1117 . 9 1 1 A 84 84 GLN C C 84 179.000 178.744 0.256 1
1 1118 . 9 1 1 A 84 84 GLN CA C 84 58.900 58.660 0.240 1
1 1119 . 9 1 1 A 84 84 GLN CB C 84 28.300 28.161 0.139 1
1 1121 . 9 1 1 A 84 84 GLN N N 84 116.900 119.450 -2.550 1
1 1123 . 9 1 1 A 85 85 LEU H H 85 7.990 8.127 -0.137 1
1 1124 . 9 1 1 A 85 85 LEU HA H 85 4.080 4.099 -0.019 1
1 1134 . 9 1 1 A 85 85 LEU C C 85 180.400 179.184 1.216 1
1 1135 . 9 1 1 A 85 85 LEU CA C 85 58.200 58.148 0.052 1
1 1136 . 9 1 1 A 85 85 LEU CB C 85 41.700 41.657 0.043 1
1 1140 . 9 1 1 A 85 85 LEU N N 85 121.300 119.479 1.821 1
1 1141 . 9 1 1 A 86 86 ILE H H 86 8.630 8.398 0.232 1
1 1142 . 9 1 1 A 86 86 ILE HA H 86 3.560 3.818 -0.258 1
1 1152 . 9 1 1 A 86 86 ILE C C 86 177.700 178.834 -1.134 1
1 1153 . 9 1 1 A 86 86 ILE CA C 86 66.600 64.854 1.746 1
1 1154 . 9 1 1 A 86 86 ILE CB C 86 37.800 36.449 1.351 1
1 1158 . 9 1 1 A 86 86 ILE N N 86 122.000 119.901 2.099 1
1 1159 . 9 1 1 A 87 87 LEU H H 87 8.200 8.107 0.093 1
1 1160 . 9 1 1 A 87 87 LEU HA H 87 4.010 4.124 -0.114 1
1 1170 . 9 1 1 A 87 87 LEU C C 87 179.000 179.355 -0.355 1
1 1171 . 9 1 1 A 87 87 LEU CA C 87 58.200 58.103 0.097 1
1 1172 . 9 1 1 A 87 87 LEU CB C 87 40.800 42.135 -1.335 1
1 1176 . 9 1 1 A 87 87 LEU N N 87 118.300 119.748 -1.448 1
1 1177 . 9 1 1 A 88 88 THR H H 88 8.420 8.226 0.194 1
1 1178 . 9 1 1 A 88 88 THR HA H 88 4.000 4.092 -0.092 1
1 1183 . 9 1 1 A 88 88 THR C C 88 176.300 177.053 -0.753 1
1 1184 . 9 1 1 A 88 88 THR CA C 88 66.500 66.023 0.477 1
1 1185 . 9 1 1 A 88 88 THR CB C 88 69.400 68.178 1.222 1
1 1187 . 9 1 1 A 88 88 THR N N 88 112.700 115.941 -3.241 1
1 1188 . 9 1 1 A 89 89 THR H H 89 7.690 7.981 -0.291 1
1 1189 . 9 1 1 A 89 89 THR HA H 89 4.040 4.071 -0.031 1
1 1194 . 9 1 1 A 89 89 THR C C 89 175.500 176.618 -1.118 1
1 1195 . 9 1 1 A 89 89 THR CA C 89 67.100 67.046 0.054 1
1 1196 . 9 1 1 A 89 89 THR CB C 89 68.500 68.240 0.260 1
1 1198 . 9 1 1 A 89 89 THR N N 89 116.600 117.789 -1.189 1
1 1199 . 9 1 1 A 90 90 ILE H H 90 8.330 7.288 1.042 1
1 1200 . 9 1 1 A 90 90 ILE HA H 90 4.420 4.125 0.295 1
1 1210 . 9 1 1 A 90 90 ILE C C 90 175.700 175.690 0.010 1
1 1211 . 9 1 1 A 90 90 ILE CA C 90 62.000 63.693 -1.693 1
1 1212 . 9 1 1 A 90 90 ILE CB C 90 38.500 38.075 0.425 1
1 1216 . 9 1 1 A 90 90 ILE N N 90 125.300 112.615 12.685 1
1 1217 . 9 1 1 A 91 91 LYS H H 91 7.450 8.070 -0.620 1
1 1218 . 9 1 1 A 91 91 LYS HA H 91 3.970 4.482 -0.512 1
1 1227 . 9 1 1 A 91 91 LYS CA C 91 57.200 55.123 2.077 1
1 1228 . 9 1 1 A 91 91 LYS CB C 91 32.900 33.853 -0.953 1
1 1 . 10 1 1 A 3 3 ILE H H 3 8.310 8.980 -0.670 1
1 2 . 10 1 1 A 3 3 ILE HA H 3 3.740 3.088 0.652 1
1 12 . 10 1 1 A 3 3 ILE C C 3 175.200 176.180 -0.980 1
1 13 . 10 1 1 A 3 3 ILE CA C 3 64.200 62.400 1.800 1
1 14 . 10 1 1 A 3 3 ILE CB C 3 37.400 37.066 0.334 1
1 18 . 10 1 1 A 3 3 ILE N N 3 124.900 124.325 0.575 1
1 19 . 10 1 1 A 4 4 LEU H H 4 7.270 7.926 -0.656 1
1 20 . 10 1 1 A 4 4 LEU HA H 4 3.680 4.342 -0.662 1
1 30 . 10 1 1 A 4 4 LEU C C 4 177.300 177.236 0.064 1
1 31 . 10 1 1 A 4 4 LEU CA C 4 56.300 55.258 1.042 1
1 32 . 10 1 1 A 4 4 LEU CB C 4 41.100 41.340 -0.240 1
1 36 . 10 1 1 A 4 4 LEU N N 4 116.100 121.229 -5.129 1
1 37 . 10 1 1 A 5 5 GLU H H 5 7.350 7.974 -0.624 1
1 38 . 10 1 1 A 5 5 GLU HA H 5 4.290 4.464 -0.174 1
1 43 . 10 1 1 A 5 5 GLU C C 5 176.300 176.264 0.036 1
1 44 . 10 1 1 A 5 5 GLU CA C 5 55.200 56.017 -0.817 1
1 45 . 10 1 1 A 5 5 GLU CB C 5 30.000 30.286 -0.286 1
1 47 . 10 1 1 A 5 5 GLU N N 5 114.200 116.936 -2.736 1
1 48 . 10 1 1 A 6 6 ASP H H 6 7.860 7.709 0.151 1
1 49 . 10 1 1 A 6 6 ASP HA H 6 4.830 4.975 -0.145 1
1 52 . 10 1 1 A 6 6 ASP C C 6 175.500 175.675 -0.175 1
1 53 . 10 1 1 A 6 6 ASP CA C 6 53.000 51.083 1.917 1
1 54 . 10 1 1 A 6 6 ASP CB C 6 40.800 42.645 -1.845 1
1 55 . 10 1 1 A 6 6 ASP N N 6 125.000 122.724 2.276 1
1 56 . 10 1 1 A 7 7 PRO HA H 7 4.240 4.454 -0.214 1
1 63 . 10 1 1 A 7 7 PRO C C 7 179.000 178.215 0.785 1
1 64 . 10 1 1 A 7 7 PRO CA C 7 65.700 64.747 0.953 1
1 65 . 10 1 1 A 7 7 PRO CB C 7 32.300 32.142 0.158 1
1 68 . 10 1 1 A 8 8 GLU H H 8 9.250 8.587 0.663 1
1 69 . 10 1 1 A 8 8 GLU HA H 8 4.120 4.112 0.008 1
1 74 . 10 1 1 A 8 8 GLU C C 8 178.100 178.852 -0.752 1
1 75 . 10 1 1 A 8 8 GLU CA C 8 60.000 59.180 0.820 1
1 76 . 10 1 1 A 8 8 GLU CB C 8 29.200 29.210 -0.010 1
1 78 . 10 1 1 A 8 8 GLU N N 8 117.600 118.265 -0.665 1
1 79 . 10 1 1 A 9 9 PHE H H 9 7.640 8.178 -0.538 1
1 80 . 10 1 1 A 9 9 PHE HA H 9 4.130 3.945 0.185 1
1 87 . 10 1 1 A 9 9 PHE C C 9 178.600 177.070 1.530 1
1 88 . 10 1 1 A 9 9 PHE CA C 9 62.200 61.373 0.827 1
1 89 . 10 1 1 A 9 9 PHE CB C 9 40.400 39.331 1.069 1
1 94 . 10 1 1 A 9 9 PHE N N 9 118.200 122.003 -3.803 1
1 95 . 10 1 1 A 10 10 VAL H H 10 8.220 7.949 0.271 1
1 96 . 10 1 1 A 10 10 VAL HA H 10 3.590 3.720 -0.130 1
1 104 . 10 1 1 A 10 10 VAL C C 10 179.400 177.784 1.616 1
1 105 . 10 1 1 A 10 10 VAL CA C 10 66.800 64.641 2.159 1
1 106 . 10 1 1 A 10 10 VAL CB C 10 31.700 31.237 0.463 1
1 109 . 10 1 1 A 10 10 VAL N N 10 120.300 118.705 1.595 1
1 110 . 10 1 1 A 11 11 LYS H H 11 7.760 7.616 0.144 1
1 111 . 10 1 1 A 11 11 LYS HA H 11 4.050 4.035 0.015 1
1 120 . 10 1 1 A 11 11 LYS C C 11 179.000 179.253 -0.253 1
1 121 . 10 1 1 A 11 11 LYS CA C 11 59.300 59.494 -0.194 1
1 122 . 10 1 1 A 11 11 LYS CB C 11 32.600 31.930 0.670 1
1 126 . 10 1 1 A 11 11 LYS N N 11 119.600 122.626 -3.026 1
1 127 . 10 1 1 A 12 12 LEU H H 12 7.750 8.305 -0.555 1
1 128 . 10 1 1 A 12 12 LEU HA H 12 4.190 3.984 0.206 1
1 138 . 10 1 1 A 12 12 LEU C C 12 178.400 179.264 -0.864 1
1 139 . 10 1 1 A 12 12 LEU CA C 12 57.800 57.991 -0.191 1
1 140 . 10 1 1 A 12 12 LEU CB C 12 41.900 41.425 0.475 1
1 144 . 10 1 1 A 12 12 LEU N N 12 119.900 120.403 -0.503 1
1 145 . 10 1 1 A 13 13 ARG H H 13 7.600 7.853 -0.253 1
1 146 . 10 1 1 A 13 13 ARG HA H 13 3.940 4.063 -0.123 1
1 153 . 10 1 1 A 13 13 ARG C C 13 178.600 178.239 0.361 1
1 154 . 10 1 1 A 13 13 ARG CA C 13 59.000 58.988 0.012 1
1 155 . 10 1 1 A 13 13 ARG CB C 13 30.200 29.479 0.721 1
1 158 . 10 1 1 A 13 13 ARG N N 13 115.300 119.087 -3.787 1
1 159 . 10 1 1 A 14 14 GLN H H 14 7.770 7.530 0.240 1
1 160 . 10 1 1 A 14 14 GLN HA H 14 4.130 4.250 -0.120 1
1 167 . 10 1 1 A 14 14 GLN C C 14 176.500 178.044 -1.544 1
1 168 . 10 1 1 A 14 14 GLN CA C 14 57.100 58.157 -1.057 1
1 169 . 10 1 1 A 14 14 GLN CB C 14 28.200 28.608 -0.408 1
1 171 . 10 1 1 A 14 14 GLN N N 14 116.400 118.520 -2.120 1
1 173 . 10 1 1 A 15 15 PHE H H 15 8.030 7.934 0.096 1
1 174 . 10 1 1 A 15 15 PHE HA H 15 4.220 4.107 0.113 1
1 181 . 10 1 1 A 15 15 PHE C C 15 175.200 175.735 -0.535 1
1 182 . 10 1 1 A 15 15 PHE CA C 15 59.100 61.155 -2.055 1
1 183 . 10 1 1 A 15 15 PHE CB C 15 38.800 39.554 -0.754 1
1 188 . 10 1 1 A 15 15 PHE N N 15 116.800 123.005 -6.205 1
1 189 . 10 1 1 A 16 16 LYS H H 16 7.470 8.817 -1.347 1
1 190 . 10 1 1 A 16 16 LYS HA H 16 4.190 4.241 -0.051 1
1 191 . 10 1 1 A 16 16 LYS CA C 16 58.400 57.835 0.565 1
1 192 . 10 1 1 A 16 16 LYS CB C 16 33.300 32.248 1.052 1
1 193 . 10 1 1 A 16 16 LYS N N 16 122.500 118.531 3.969 1
1 194 . 10 1 1 A 17 17 GLY HA2 H 17 3.920 3.365 0.555 1
1 195 . 10 1 1 A 17 17 GLY HA3 H 17 4.210 3.661 0.549 1
1 196 . 10 1 1 A 17 17 GLY C C 17 174.300 175.072 -0.772 1
1 197 . 10 1 1 A 17 17 GLY CA C 17 46.200 45.035 1.165 1
1 198 . 10 1 1 A 18 18 LYS H H 18 8.230 7.861 0.369 1
1 199 . 10 1 1 A 18 18 LYS HA H 18 4.550 3.686 0.864 1
1 208 . 10 1 1 A 18 18 LYS C C 18 175.800 174.659 1.141 1
1 209 . 10 1 1 A 18 18 LYS CA C 18 56.100 57.446 -1.346 1
1 210 . 10 1 1 A 18 18 LYS CB C 18 33.700 29.420 4.280 1
1 214 . 10 1 1 A 18 18 LYS N N 18 118.100 115.868 2.232 1
1 215 . 10 1 1 A 19 19 VAL H H 19 7.150 7.371 -0.221 1
1 216 . 10 1 1 A 19 19 VAL HA H 19 4.400 4.864 -0.464 1
1 224 . 10 1 1 A 19 19 VAL CA C 19 58.800 58.344 0.456 1
1 225 . 10 1 1 A 19 19 VAL CB C 19 34.300 35.251 -0.951 1
1 228 . 10 1 1 A 19 19 VAL N N 19 111.100 113.680 -2.580 1
1 229 . 10 1 1 A 20 20 ASN HA H 20 4.660 4.847 -0.187 1
1 234 . 10 1 1 A 20 20 ASN C C 20 174.600 176.347 -1.747 1
1 235 . 10 1 1 A 20 20 ASN CA C 20 52.700 53.216 -0.516 1
1 236 . 10 1 1 A 20 20 ASN CB C 20 37.900 39.745 -1.845 1
1 238 . 10 1 1 A 21 21 PHE H H 21 8.580 9.129 -0.549 1
1 239 . 10 1 1 A 21 21 PHE HA H 21 3.730 3.999 -0.269 1
1 247 . 10 1 1 A 21 21 PHE C C 21 175.300 177.087 -1.787 1
1 248 . 10 1 1 A 21 21 PHE CA C 21 62.500 62.416 0.084 1
1 249 . 10 1 1 A 21 21 PHE CB C 21 40.400 39.536 0.864 1
1 255 . 10 1 1 A 21 21 PHE N N 21 128.200 127.728 0.472 1
1 256 . 10 1 1 A 22 22 ASN H H 22 8.220 8.414 -0.194 1
1 257 . 10 1 1 A 22 22 ASN HA H 22 4.300 4.554 -0.254 1
1 262 . 10 1 1 A 22 22 ASN C C 22 177.800 178.080 -0.280 1
1 263 . 10 1 1 A 22 22 ASN CA C 22 56.400 57.235 -0.835 1
1 264 . 10 1 1 A 22 22 ASN CB C 22 37.900 38.302 -0.402 1
1 265 . 10 1 1 A 22 22 ASN N N 22 114.600 118.052 -3.452 1
1 267 . 10 1 1 A 23 23 LEU H H 23 7.440 7.589 -0.149 1
1 268 . 10 1 1 A 23 23 LEU HA H 23 4.190 4.111 0.079 1
1 278 . 10 1 1 A 23 23 LEU C C 23 177.800 178.637 -0.837 1
1 279 . 10 1 1 A 23 23 LEU CA C 23 56.900 57.819 -0.919 1
1 280 . 10 1 1 A 23 23 LEU CB C 23 41.400 41.836 -0.436 1
1 284 . 10 1 1 A 23 23 LEU N N 23 122.500 121.188 1.312 1
1 285 . 10 1 1 A 24 24 VAL H H 24 7.930 8.164 -0.234 1
1 286 . 10 1 1 A 24 24 VAL HA H 24 3.560 3.534 0.026 1
1 294 . 10 1 1 A 24 24 VAL C C 24 177.500 177.710 -0.210 1
1 295 . 10 1 1 A 24 24 VAL CA C 24 67.200 67.043 0.157 1
1 296 . 10 1 1 A 24 24 VAL CB C 24 31.000 31.286 -0.286 1
1 299 . 10 1 1 A 24 24 VAL N N 24 119.400 119.097 0.303 1
1 300 . 10 1 1 A 25 25 MET H H 25 8.020 8.278 -0.258 1
1 301 . 10 1 1 A 25 25 MET HA H 25 3.640 3.961 -0.321 1
1 309 . 10 1 1 A 25 25 MET C C 25 176.800 178.243 -1.443 1
1 310 . 10 1 1 A 25 25 MET CA C 25 60.000 58.264 1.736 1
1 311 . 10 1 1 A 25 25 MET CB C 25 32.900 31.618 1.282 1
1 314 . 10 1 1 A 25 25 MET N N 25 116.600 118.824 -2.224 1
1 315 . 10 1 1 A 26 26 GLN H H 26 7.530 7.653 -0.123 1
1 316 . 10 1 1 A 26 26 GLN HA H 26 4.050 4.140 -0.090 1
1 323 . 10 1 1 A 26 26 GLN C C 26 177.800 178.466 -0.666 1
1 324 . 10 1 1 A 26 26 GLN CA C 26 59.100 58.800 0.300 1
1 325 . 10 1 1 A 26 26 GLN CB C 26 28.100 28.451 -0.351 1
1 327 . 10 1 1 A 26 26 GLN N N 26 118.200 118.596 -0.396 1
1 329 . 10 1 1 A 27 27 ILE H H 27 8.230 8.269 -0.039 1
1 330 . 10 1 1 A 27 27 ILE HA H 27 3.350 3.444 -0.094 1
1 340 . 10 1 1 A 27 27 ILE C C 27 177.700 178.344 -0.644 1
1 341 . 10 1 1 A 27 27 ILE CA C 27 65.900 65.907 -0.007 1
1 342 . 10 1 1 A 27 27 ILE CB C 27 37.900 38.086 -0.186 1
1 346 . 10 1 1 A 27 27 ILE N N 27 120.700 120.612 0.088 1
1 347 . 10 1 1 A 28 28 LEU H H 28 8.550 8.455 0.095 1
1 348 . 10 1 1 A 28 28 LEU HA H 28 4.020 3.922 0.098 1
1 358 . 10 1 1 A 28 28 LEU C C 28 179.900 179.031 0.869 1
1 359 . 10 1 1 A 28 28 LEU CA C 28 58.400 58.163 0.237 1
1 360 . 10 1 1 A 28 28 LEU CB C 28 39.700 40.940 -1.240 1
1 364 . 10 1 1 A 28 28 LEU N N 28 118.900 118.699 0.201 1
1 365 . 10 1 1 A 29 29 ASP H H 29 8.470 8.230 0.240 1
1 366 . 10 1 1 A 29 29 ASP HA H 29 4.440 4.238 0.202 1
1 369 . 10 1 1 A 29 29 ASP C C 29 179.600 178.510 1.090 1
1 370 . 10 1 1 A 29 29 ASP CA C 29 57.400 57.922 -0.522 1
1 371 . 10 1 1 A 29 29 ASP CB C 29 40.400 41.341 -0.941 1
1 372 . 10 1 1 A 29 29 ASP N N 29 120.700 119.490 1.210 1
1 373 . 10 1 1 A 30 30 GLU H H 30 8.630 8.629 0.001 1
1 374 . 10 1 1 A 30 30 GLU HA H 30 3.980 4.083 -0.103 1
1 379 . 10 1 1 A 30 30 GLU C C 30 180.600 178.750 1.850 1
1 380 . 10 1 1 A 30 30 GLU CA C 30 60.000 59.137 0.863 1
1 381 . 10 1 1 A 30 30 GLU CB C 30 29.900 29.560 0.340 1
1 383 . 10 1 1 A 30 30 GLU N N 30 120.800 118.973 1.827 1
1 384 . 10 1 1 A 31 31 ILE H H 31 8.520 7.707 0.813 1
1 385 . 10 1 1 A 31 31 ILE HA H 31 3.540 3.865 -0.325 1
1 395 . 10 1 1 A 31 31 ILE C C 31 176.400 177.974 -1.574 1
1 396 . 10 1 1 A 31 31 ILE CA C 31 66.600 63.887 2.713 1
1 397 . 10 1 1 A 31 31 ILE CB C 31 37.800 37.464 0.336 1
1 401 . 10 1 1 A 31 31 ILE N N 31 123.100 120.054 3.046 1
1 402 . 10 1 1 A 32 32 GLU H H 32 8.070 8.380 -0.310 1
1 403 . 10 1 1 A 32 32 GLU HA H 32 3.730 3.999 -0.269 1
1 408 . 10 1 1 A 32 32 GLU C C 32 178.400 178.883 -0.483 1
1 409 . 10 1 1 A 32 32 GLU CA C 32 60.800 59.330 1.470 1
1 410 . 10 1 1 A 32 32 GLU CB C 32 28.800 29.535 -0.735 1
1 412 . 10 1 1 A 32 32 GLU N N 32 120.300 121.480 -1.180 1
1 413 . 10 1 1 A 33 33 LEU H H 33 8.160 8.311 -0.151 1
1 414 . 10 1 1 A 33 33 LEU HA H 33 3.980 3.960 0.020 1
1 424 . 10 1 1 A 33 33 LEU C C 33 180.100 178.227 1.873 1
1 425 . 10 1 1 A 33 33 LEU CA C 33 58.000 58.028 -0.028 1
1 426 . 10 1 1 A 33 33 LEU CB C 33 42.100 41.084 1.016 1
1 430 . 10 1 1 A 33 33 LEU N N 33 117.900 120.171 -2.271 1
1 431 . 10 1 1 A 34 34 ASP H H 34 8.200 7.896 0.304 1
1 432 . 10 1 1 A 34 34 ASP HA H 34 4.290 4.371 -0.081 1
1 435 . 10 1 1 A 34 34 ASP C C 34 178.600 178.161 0.439 1
1 436 . 10 1 1 A 34 34 ASP CA C 34 58.200 57.587 0.613 1
1 437 . 10 1 1 A 34 34 ASP CB C 34 42.800 41.040 1.760 1
1 438 . 10 1 1 A 34 34 ASP N N 34 120.500 119.867 0.633 1
1 439 . 10 1 1 A 35 35 LEU H H 35 8.630 8.284 0.346 1
1 440 . 10 1 1 A 35 35 LEU HA H 35 4.360 4.032 0.328 1
1 450 . 10 1 1 A 35 35 LEU C C 35 179.000 176.516 2.484 1
1 451 . 10 1 1 A 35 35 LEU CA C 35 56.400 57.941 -1.541 1
1 452 . 10 1 1 A 35 35 LEU CB C 35 42.800 41.532 1.268 1
1 456 . 10 1 1 A 35 35 LEU N N 35 121.300 120.544 0.756 1
1 457 . 10 1 1 A 36 36 ARG H H 36 7.410 8.325 -0.915 1
1 458 . 10 1 1 A 36 36 ARG HA H 36 4.050 3.991 0.059 1
1 465 . 10 1 1 A 36 36 ARG C C 36 177.800 176.253 1.547 1
1 466 . 10 1 1 A 36 36 ARG CA C 36 59.000 57.336 1.664 1
1 467 . 10 1 1 A 36 36 ARG CB C 36 30.000 28.295 1.705 1
1 470 . 10 1 1 A 36 36 ARG N N 36 117.000 117.526 -0.526 1
1 471 . 10 1 1 A 37 37 GLY H H 37 7.580 8.577 -0.997 1
1 472 . 10 1 1 A 37 37 GLY HA2 H 37 3.830 4.022 -0.192 1
1 473 . 10 1 1 A 37 37 GLY HA3 H 37 4.280 4.060 0.220 1
1 474 . 10 1 1 A 37 37 GLY C C 37 174.800 175.013 -0.213 1
1 475 . 10 1 1 A 37 37 GLY CA C 37 45.200 45.892 -0.692 1
1 476 . 10 1 1 A 37 37 GLY N N 37 103.600 106.200 -2.600 1
1 477 . 10 1 1 A 38 38 SER H H 38 8.380 8.125 0.255 1
1 478 . 10 1 1 A 38 38 SER HA H 38 4.330 4.875 -0.545 1
1 481 . 10 1 1 A 38 38 SER C C 38 175.100 175.463 -0.363 1
1 482 . 10 1 1 A 38 38 SER CA C 38 58.700 58.725 -0.025 1
1 483 . 10 1 1 A 38 38 SER CB C 38 63.800 64.474 -0.674 1
1 484 . 10 1 1 A 38 38 SER N N 38 117.800 112.983 4.817 1
1 485 . 10 1 1 A 39 39 ASP H H 39 8.520 7.977 0.543 1
1 486 . 10 1 1 A 39 39 ASP HA H 39 4.470 4.577 -0.107 1
1 489 . 10 1 1 A 39 39 ASP C C 39 175.300 175.144 0.156 1
1 490 . 10 1 1 A 39 39 ASP CA C 39 55.400 55.696 -0.296 1
1 491 . 10 1 1 A 39 39 ASP CB C 39 41.500 40.814 0.686 1
1 492 . 10 1 1 A 39 39 ASP N N 39 120.500 121.668 -1.168 1
1 493 . 10 1 1 A 40 40 ASN H H 40 8.230 8.183 0.047 1
1 494 . 10 1 1 A 40 40 ASN HA H 40 4.800 5.058 -0.258 1
1 499 . 10 1 1 A 40 40 ASN C C 40 174.600 174.921 -0.321 1
1 500 . 10 1 1 A 40 40 ASN CA C 40 52.900 52.245 0.655 1
1 501 . 10 1 1 A 40 40 ASN CB C 40 39.500 40.246 -0.746 1
1 502 . 10 1 1 A 40 40 ASN N N 40 116.100 115.258 0.842 1
1 504 . 10 1 1 A 41 41 ILE H H 41 8.340 8.404 -0.064 1
1 505 . 10 1 1 A 41 41 ILE HA H 41 3.840 3.993 -0.153 1
1 515 . 10 1 1 A 41 41 ILE C C 41 175.000 177.300 -2.300 1
1 516 . 10 1 1 A 41 41 ILE CA C 41 62.500 62.636 -0.136 1
1 517 . 10 1 1 A 41 41 ILE CB C 41 37.600 37.928 -0.328 1
1 521 . 10 1 1 A 41 41 ILE N N 41 124.800 126.721 -1.921 1
1 522 . 10 1 1 A 42 42 LYS H H 42 7.790 8.261 -0.471 1
1 523 . 10 1 1 A 42 42 LYS HA H 42 3.780 3.993 -0.213 1
1 532 . 10 1 1 A 42 42 LYS C C 42 178.300 178.552 -0.252 1
1 533 . 10 1 1 A 42 42 LYS CA C 42 60.200 58.618 1.582 1
1 534 . 10 1 1 A 42 42 LYS CB C 42 31.800 31.930 -0.130 1
1 538 . 10 1 1 A 42 42 LYS N N 42 122.100 119.563 2.537 1
1 539 . 10 1 1 A 43 43 THR H H 43 7.500 7.416 0.084 1
1 540 . 10 1 1 A 43 43 THR HA H 43 3.790 3.807 -0.017 1
1 545 . 10 1 1 A 43 43 THR C C 43 177.100 175.693 1.407 1
1 546 . 10 1 1 A 43 43 THR CA C 43 65.900 65.935 -0.035 1
1 547 . 10 1 1 A 43 43 THR CB C 43 68.400 68.486 -0.086 1
1 549 . 10 1 1 A 43 43 THR N N 43 112.900 117.110 -4.210 1
1 550 . 10 1 1 A 44 44 SER H H 44 7.860 7.950 -0.090 1
1 551 . 10 1 1 A 44 44 SER HA H 44 4.570 4.321 0.249 1
1 554 . 10 1 1 A 44 44 SER C C 44 175.100 175.880 -0.780 1
1 555 . 10 1 1 A 44 44 SER CA C 44 63.600 62.179 1.421 1
1 556 . 10 1 1 A 44 44 SER CB C 44 63.900 63.122 0.778 1
1 557 . 10 1 1 A 44 44 SER N N 44 119.700 117.345 2.355 1
1 558 . 10 1 1 A 45 45 ILE H H 45 8.240 8.027 0.213 1
1 559 . 10 1 1 A 45 45 ILE HA H 45 3.140 3.473 -0.333 1
1 569 . 10 1 1 A 45 45 ILE C C 45 176.500 178.016 -1.516 1
1 570 . 10 1 1 A 45 45 ILE CA C 45 66.200 64.386 1.814 1
1 571 . 10 1 1 A 45 45 ILE CB C 45 37.800 37.428 0.372 1
1 575 . 10 1 1 A 45 45 ILE N N 45 121.300 120.575 0.725 1
1 576 . 10 1 1 A 46 46 ILE H H 46 7.680 7.511 0.169 1
1 577 . 10 1 1 A 46 46 ILE HA H 46 3.480 3.433 0.047 1
1 587 . 10 1 1 A 46 46 ILE C C 46 178.900 177.593 1.307 1
1 588 . 10 1 1 A 46 46 ILE CA C 46 65.300 65.106 0.194 1
1 589 . 10 1 1 A 46 46 ILE CB C 46 37.800 37.601 0.199 1
1 593 . 10 1 1 A 46 46 ILE N N 46 117.100 120.636 -3.536 1
1 594 . 10 1 1 A 47 47 TYR H H 47 8.400 7.529 0.871 1
1 595 . 10 1 1 A 47 47 TYR HA H 47 4.190 4.415 -0.225 1
1 602 . 10 1 1 A 47 47 TYR C C 47 178.700 178.396 0.304 1
1 603 . 10 1 1 A 47 47 TYR CA C 47 61.300 60.971 0.329 1
1 604 . 10 1 1 A 47 47 TYR CB C 47 38.400 38.344 0.056 1
1 609 . 10 1 1 A 47 47 TYR N N 47 120.900 119.792 1.108 1
1 610 . 10 1 1 A 48 48 VAL H H 48 8.480 8.221 0.259 1
1 611 . 10 1 1 A 48 48 VAL HA H 48 3.560 3.921 -0.361 1
1 619 . 10 1 1 A 48 48 VAL C C 48 179.600 177.809 1.791 1
1 620 . 10 1 1 A 48 48 VAL CA C 48 67.000 66.504 0.496 1
1 621 . 10 1 1 A 48 48 VAL CB C 48 31.700 31.793 -0.093 1
1 624 . 10 1 1 A 48 48 VAL N N 48 121.600 119.814 1.786 1
1 625 . 10 1 1 A 49 49 TYR H H 49 9.630 8.350 1.280 1
1 626 . 10 1 1 A 49 49 TYR HA H 49 4.080 4.172 -0.092 1
1 633 . 10 1 1 A 49 49 TYR C C 49 179.300 178.506 0.794 1
1 634 . 10 1 1 A 49 49 TYR CA C 49 59.900 60.713 -0.813 1
1 635 . 10 1 1 A 49 49 TYR CB C 49 35.300 37.636 -2.336 1
1 640 . 10 1 1 A 49 49 TYR N N 49 122.000 119.420 2.580 1
1 641 . 10 1 1 A 50 50 SER H H 50 8.120 8.129 -0.009 1
1 642 . 10 1 1 A 50 50 SER HA H 50 4.130 4.361 -0.231 1
1 645 . 10 1 1 A 50 50 SER C C 50 175.700 175.738 -0.038 1
1 646 . 10 1 1 A 50 50 SER CA C 50 62.000 61.813 0.187 1
1 647 . 10 1 1 A 50 50 SER CB C 50 62.900 63.313 -0.413 1
1 648 . 10 1 1 A 50 50 SER N N 50 112.600 116.553 -3.953 1
1 649 . 10 1 1 A 51 51 SER H H 51 7.510 7.759 -0.249 1
1 650 . 10 1 1 A 51 51 SER HA H 51 4.350 4.288 0.062 1
1 653 . 10 1 1 A 51 51 SER C C 51 173.600 176.067 -2.467 1
1 654 . 10 1 1 A 51 51 SER CA C 51 59.500 61.248 -1.748 1
1 655 . 10 1 1 A 51 51 SER CB C 51 63.300 63.069 0.231 1
1 656 . 10 1 1 A 51 51 SER N N 51 116.800 116.142 0.658 1
1 657 . 10 1 1 A 52 52 HIS H H 52 7.590 8.121 -0.531 1
1 658 . 10 1 1 A 52 52 HIS HA H 52 4.890 4.865 0.025 1
1 663 . 10 1 1 A 52 52 HIS C C 52 175.200 175.487 -0.287 1
1 664 . 10 1 1 A 52 52 HIS CA C 52 54.100 54.900 -0.800 1
1 665 . 10 1 1 A 52 52 HIS CB C 52 29.500 29.303 0.197 1
1 668 . 10 1 1 A 52 52 HIS N N 52 120.500 116.477 4.023 1
1 669 . 10 1 1 A 53 53 LEU H H 53 7.440 7.774 -0.334 1
1 670 . 10 1 1 A 53 53 LEU HA H 53 3.870 3.718 0.152 1
1 680 . 10 1 1 A 53 53 LEU C C 53 177.900 178.507 -0.607 1
1 681 . 10 1 1 A 53 53 LEU CA C 53 59.100 58.236 0.864 1
1 682 . 10 1 1 A 53 53 LEU CB C 53 42.300 41.292 1.008 1
1 686 . 10 1 1 A 53 53 LEU N N 53 121.400 121.070 0.330 1
1 687 . 10 1 1 A 54 54 ASP H H 54 8.400 8.100 0.300 1
1 688 . 10 1 1 A 54 54 ASP HA H 54 4.290 4.249 0.041 1
1 691 . 10 1 1 A 54 54 ASP C C 54 177.900 179.028 -1.128 1
1 692 . 10 1 1 A 54 54 ASP CA C 54 57.600 57.583 0.017 1
1 693 . 10 1 1 A 54 54 ASP CB C 54 40.200 42.193 -1.993 1
1 694 . 10 1 1 A 54 54 ASP N N 54 115.900 119.318 -3.418 1
1 695 . 10 1 1 A 55 55 GLU H H 55 7.500 7.628 -0.128 1
1 696 . 10 1 1 A 55 55 GLU HA H 55 4.310 4.182 0.128 1
1 701 . 10 1 1 A 55 55 GLU C C 55 178.300 179.136 -0.836 1
1 702 . 10 1 1 A 55 55 GLU CA C 55 57.800 58.687 -0.887 1
1 703 . 10 1 1 A 55 55 GLU CB C 55 29.100 29.282 -0.182 1
1 705 . 10 1 1 A 55 55 GLU N N 55 120.100 118.846 1.254 1
1 706 . 10 1 1 A 56 56 ILE H H 56 7.720 7.660 0.060 1
1 707 . 10 1 1 A 56 56 ILE HA H 56 3.440 3.204 0.236 1
1 717 . 10 1 1 A 56 56 ILE C C 56 178.600 178.243 0.357 1
1 718 . 10 1 1 A 56 56 ILE CA C 56 62.500 65.155 -2.655 1
1 719 . 10 1 1 A 56 56 ILE CB C 56 36.200 37.180 -0.980 1
1 723 . 10 1 1 A 56 56 ILE N N 56 119.600 120.379 -0.779 1
1 724 . 10 1 1 A 57 57 ARG H H 57 8.200 8.087 0.113 1
1 725 . 10 1 1 A 57 57 ARG HA H 57 3.930 3.978 -0.048 1
1 732 . 10 1 1 A 57 57 ARG C C 57 178.800 178.904 -0.104 1
1 733 . 10 1 1 A 57 57 ARG CA C 57 59.000 59.174 -0.174 1
1 734 . 10 1 1 A 57 57 ARG CB C 57 30.100 29.908 0.192 1
1 737 . 10 1 1 A 57 57 ARG N N 57 115.500 121.001 -5.501 1
1 738 . 10 1 1 A 58 58 LYS H H 58 7.400 7.726 -0.326 1
1 739 . 10 1 1 A 58 58 LYS HA H 58 4.210 4.204 0.006 1
1 748 . 10 1 1 A 58 58 LYS C C 58 176.800 177.579 -0.779 1
1 749 . 10 1 1 A 58 58 LYS CA C 58 58.100 59.355 -1.255 1
1 750 . 10 1 1 A 58 58 LYS CB C 58 33.100 32.342 0.758 1
1 754 . 10 1 1 A 58 58 LYS N N 58 117.400 118.820 -1.420 1
1 755 . 10 1 1 A 59 59 ASN H H 59 7.630 7.933 -0.303 1
1 756 . 10 1 1 A 59 59 ASN HA H 59 5.310 5.341 -0.031 1
1 761 . 10 1 1 A 59 59 ASN C C 59 174.900 175.130 -0.230 1
1 762 . 10 1 1 A 59 59 ASN CA C 59 52.100 52.491 -0.391 1
1 763 . 10 1 1 A 59 59 ASN CB C 59 40.200 39.058 1.142 1
1 764 . 10 1 1 A 59 59 ASN N N 59 119.200 115.675 3.525 1
1 766 . 10 1 1 A 60 60 LYS H H 60 7.460 8.256 -0.796 1
1 767 . 10 1 1 A 60 60 LYS HA H 60 4.070 4.428 -0.358 1
1 776 . 10 1 1 A 60 60 LYS C C 60 177.900 178.114 -0.214 1
1 777 . 10 1 1 A 60 60 LYS CA C 60 61.100 59.522 1.578 1
1 778 . 10 1 1 A 60 60 LYS CB C 60 33.300 31.965 1.335 1
1 782 . 10 1 1 A 60 60 LYS N N 60 122.700 119.080 3.620 1
1 783 . 10 1 1 A 61 61 GLU H H 61 8.660 8.158 0.502 1
1 784 . 10 1 1 A 61 61 GLU HA H 61 4.080 3.979 0.101 1
1 789 . 10 1 1 A 61 61 GLU C C 61 178.900 178.731 0.169 1
1 790 . 10 1 1 A 61 61 GLU CA C 61 60.100 59.194 0.906 1
1 791 . 10 1 1 A 61 61 GLU CB C 61 29.100 29.417 -0.317 1
1 793 . 10 1 1 A 61 61 GLU N N 61 117.300 119.563 -2.263 1
1 794 . 10 1 1 A 62 62 PHE H H 62 7.670 7.574 0.096 1
1 795 . 10 1 1 A 62 62 PHE HA H 62 3.420 3.749 -0.329 1
1 803 . 10 1 1 A 62 62 PHE C C 62 176.200 176.841 -0.641 1
1 804 . 10 1 1 A 62 62 PHE CA C 62 60.900 60.978 -0.078 1
1 805 . 10 1 1 A 62 62 PHE CB C 62 38.300 38.653 -0.353 1
1 811 . 10 1 1 A 62 62 PHE N N 62 119.300 120.846 -1.546 1
1 812 . 10 1 1 A 63 63 TYR H H 63 7.850 8.103 -0.253 1
1 813 . 10 1 1 A 63 63 TYR HA H 63 3.870 4.146 -0.276 1
1 820 . 10 1 1 A 63 63 TYR C C 63 180.200 177.774 2.426 1
1 821 . 10 1 1 A 63 63 TYR CA C 63 63.500 61.584 1.916 1
1 822 . 10 1 1 A 63 63 TYR CB C 63 37.100 37.153 -0.053 1
1 827 . 10 1 1 A 63 63 TYR N N 63 116.500 117.277 -0.777 1
1 828 . 10 1 1 A 64 64 ASP H H 64 9.110 8.710 0.400 1
1 829 . 10 1 1 A 64 64 ASP HA H 64 4.650 4.449 0.201 1
1 832 . 10 1 1 A 64 64 ASP C C 64 178.700 178.608 0.092 1
1 833 . 10 1 1 A 64 64 ASP CA C 64 57.600 57.482 0.118 1
1 834 . 10 1 1 A 64 64 ASP CB C 64 39.800 41.030 -1.230 1
1 835 . 10 1 1 A 64 64 ASP N N 64 126.100 121.308 4.792 1
1 836 . 10 1 1 A 65 65 MET H H 65 7.600 8.130 -0.530 1
1 837 . 10 1 1 A 65 65 MET HA H 65 4.140 4.123 0.017 1
1 845 . 10 1 1 A 65 65 MET C C 65 178.800 178.087 0.713 1
1 846 . 10 1 1 A 65 65 MET CA C 65 59.300 58.848 0.452 1
1 847 . 10 1 1 A 65 65 MET CB C 65 32.800 32.910 -0.110 1
1 850 . 10 1 1 A 65 65 MET N N 65 121.100 117.684 3.416 1
1 851 . 10 1 1 A 66 66 ILE H H 66 7.910 7.865 0.045 1
1 852 . 10 1 1 A 66 66 ILE HA H 66 3.430 3.739 -0.309 1
1 862 . 10 1 1 A 66 66 ILE C C 66 177.000 177.828 -0.828 1
1 863 . 10 1 1 A 66 66 ILE CA C 66 64.500 64.144 0.356 1
1 864 . 10 1 1 A 66 66 ILE CB C 66 36.700 37.312 -0.612 1
1 868 . 10 1 1 A 66 66 ILE N N 66 116.900 116.260 0.640 1
1 869 . 10 1 1 A 67 67 ALA H H 67 7.660 8.195 -0.535 1
1 870 . 10 1 1 A 67 67 ALA HA H 67 3.940 3.986 -0.046 1
1 874 . 10 1 1 A 67 67 ALA C C 67 180.200 179.583 0.617 1
1 875 . 10 1 1 A 67 67 ALA CA C 67 55.600 55.848 -0.248 1
1 876 . 10 1 1 A 67 67 ALA CB C 67 18.000 18.270 -0.270 1
1 877 . 10 1 1 A 67 67 ALA N N 67 120.700 122.078 -1.378 1
1 878 . 10 1 1 A 68 68 GLU H H 68 7.660 7.848 -0.188 1
1 879 . 10 1 1 A 68 68 GLU HA H 68 4.040 4.112 -0.072 1
1 884 . 10 1 1 A 68 68 GLU C C 68 179.000 179.081 -0.081 1
1 885 . 10 1 1 A 68 68 GLU CA C 68 59.300 59.309 -0.009 1
1 886 . 10 1 1 A 68 68 GLU CB C 68 29.500 29.181 0.319 1
1 888 . 10 1 1 A 68 68 GLU N N 68 118.700 116.320 2.380 1
1 889 . 10 1 1 A 69 69 ILE H H 69 8.240 7.609 0.631 1
1 890 . 10 1 1 A 69 69 ILE HA H 69 3.630 3.802 -0.172 1
1 900 . 10 1 1 A 69 69 ILE C C 69 178.200 178.117 0.083 1
1 901 . 10 1 1 A 69 69 ILE CA C 69 65.700 65.967 -0.267 1
1 902 . 10 1 1 A 69 69 ILE CB C 69 38.100 37.729 0.371 1
1 906 . 10 1 1 A 69 69 ILE N N 69 120.700 121.440 -0.740 1
1 907 . 10 1 1 A 70 70 LEU H H 70 8.770 8.834 -0.064 1
1 908 . 10 1 1 A 70 70 LEU HA H 70 3.960 3.889 0.071 1
1 918 . 10 1 1 A 70 70 LEU C C 70 179.300 179.394 -0.094 1
1 919 . 10 1 1 A 70 70 LEU CA C 70 59.100 58.276 0.824 1
1 920 . 10 1 1 A 70 70 LEU CB C 70 43.000 41.609 1.391 1
1 924 . 10 1 1 A 70 70 LEU N N 70 119.100 120.181 -1.081 1
1 925 . 10 1 1 A 71 71 GLN H H 71 7.660 7.865 -0.205 1
1 926 . 10 1 1 A 71 71 GLN HA H 71 3.960 4.155 -0.195 1
1 933 . 10 1 1 A 71 71 GLN C C 71 177.700 178.574 -0.874 1
1 934 . 10 1 1 A 71 71 GLN CA C 71 59.800 59.309 0.491 1
1 935 . 10 1 1 A 71 71 GLN CB C 71 30.000 28.492 1.508 1
1 937 . 10 1 1 A 71 71 GLN N N 71 114.200 118.358 -4.158 1
1 939 . 10 1 1 A 72 72 ARG H H 72 8.180 7.986 0.194 1
1 940 . 10 1 1 A 72 72 ARG HA H 72 4.000 4.027 -0.027 1
1 947 . 10 1 1 A 72 72 ARG C C 72 178.900 177.874 1.026 1
1 948 . 10 1 1 A 72 72 ARG CA C 72 58.900 58.981 -0.081 1
1 949 . 10 1 1 A 72 72 ARG CB C 72 31.100 30.173 0.927 1
1 952 . 10 1 1 A 72 72 ARG N N 72 118.300 120.097 -1.797 1
1 953 . 10 1 1 A 73 73 TYR H H 73 7.970 8.360 -0.390 1
1 954 . 10 1 1 A 73 73 TYR HA H 73 4.800 4.322 0.478 1
1 961 . 10 1 1 A 73 73 TYR C C 73 178.000 177.849 0.151 1
1 962 . 10 1 1 A 73 73 TYR CA C 73 60.100 59.765 0.335 1
1 963 . 10 1 1 A 73 73 TYR CB C 73 41.200 38.518 2.682 1
1 968 . 10 1 1 A 73 73 TYR N N 73 111.500 118.163 -6.663 1
1 969 . 10 1 1 A 74 74 TYR H H 74 8.750 8.042 0.708 1
1 970 . 10 1 1 A 74 74 TYR HA H 74 4.080 4.222 -0.142 1
1 977 . 10 1 1 A 74 74 TYR C C 74 176.600 177.537 -0.937 1
1 978 . 10 1 1 A 74 74 TYR CA C 74 62.400 61.285 1.115 1
1 979 . 10 1 1 A 74 74 TYR CB C 74 36.100 38.285 -2.185 1
1 984 . 10 1 1 A 74 74 TYR N N 74 121.500 120.831 0.669 1
1 985 . 10 1 1 A 75 75 LYS H H 75 7.760 7.526 0.234 1
1 986 . 10 1 1 A 75 75 LYS HA H 75 3.710 3.663 0.047 1
1 995 . 10 1 1 A 75 75 LYS C C 75 177.500 178.957 -1.457 1
1 996 . 10 1 1 A 75 75 LYS CA C 75 57.600 58.588 -0.988 1
1 997 . 10 1 1 A 75 75 LYS CB C 75 31.800 32.176 -0.376 1
1 1001 . 10 1 1 A 75 75 LYS N N 75 120.300 119.639 0.661 1
1 1002 . 10 1 1 A 76 76 LYS H H 76 7.510 7.276 0.234 1
1 1003 . 10 1 1 A 76 76 LYS HA H 76 4.230 3.993 0.237 1
1 1012 . 10 1 1 A 76 76 LYS C C 76 177.900 177.900 0.000 1
1 1013 . 10 1 1 A 76 76 LYS CA C 76 58.300 59.178 -0.878 1
1 1014 . 10 1 1 A 76 76 LYS CB C 76 33.700 32.827 0.873 1
1 1018 . 10 1 1 A 76 76 LYS N N 76 118.000 120.131 -2.131 1
1 1019 . 10 1 1 A 77 77 ILE H H 77 7.610 8.296 -0.686 1
1 1020 . 10 1 1 A 77 77 ILE HA H 77 4.670 4.468 0.202 1
1 1030 . 10 1 1 A 77 77 ILE C C 77 176.000 175.810 0.190 1
1 1031 . 10 1 1 A 77 77 ILE CA C 77 60.600 61.168 -0.568 1
1 1032 . 10 1 1 A 77 77 ILE CB C 77 39.700 40.347 -0.647 1
1 1036 . 10 1 1 A 77 77 ILE N N 77 108.200 111.879 -3.679 1
1 1037 . 10 1 1 A 78 78 GLY H H 78 7.390 7.696 -0.306 1
1 1038 . 10 1 1 A 78 78 GLY HA2 H 78 4.730 4.133 0.597 1
1 1039 . 10 1 1 A 78 78 GLY HA3 H 78 3.970 4.157 -0.187 1
1 1040 . 10 1 1 A 78 78 GLY C C 78 175.800 174.872 0.928 1
1 1041 . 10 1 1 A 78 78 GLY CA C 78 44.900 44.732 0.168 1
1 1042 . 10 1 1 A 78 78 GLY N N 78 112.200 109.800 2.400 1
1 1043 . 10 1 1 A 79 79 ILE H H 79 9.030 8.911 0.119 1
1 1044 . 10 1 1 A 79 79 ILE HA H 79 4.080 4.001 0.079 1
1 1054 . 10 1 1 A 79 79 ILE C C 79 174.700 177.934 -3.234 1
1 1055 . 10 1 1 A 79 79 ILE CA C 79 62.900 63.342 -0.442 1
1 1056 . 10 1 1 A 79 79 ILE CB C 79 38.600 37.957 0.643 1
1 1060 . 10 1 1 A 79 79 ILE N N 79 125.700 122.038 3.662 1
1 1061 . 10 1 1 A 80 80 GLU H H 80 9.480 8.537 0.943 1
1 1062 . 10 1 1 A 80 80 GLU HA H 80 4.070 3.940 0.130 1
1 1067 . 10 1 1 A 80 80 GLU C C 80 179.200 179.672 -0.472 1
1 1068 . 10 1 1 A 80 80 GLU CA C 80 59.700 59.999 -0.299 1
1 1069 . 10 1 1 A 80 80 GLU CB C 80 28.100 29.219 -1.119 1
1 1071 . 10 1 1 A 80 80 GLU N N 80 122.400 121.927 0.473 1
1 1072 . 10 1 1 A 81 81 ASN H H 81 7.570 8.138 -0.568 1
1 1073 . 10 1 1 A 81 81 ASN HA H 81 4.580 4.546 0.034 1
1 1078 . 10 1 1 A 81 81 ASN C C 81 177.600 177.913 -0.313 1
1 1079 . 10 1 1 A 81 81 ASN CA C 81 55.600 56.108 -0.508 1
1 1080 . 10 1 1 A 81 81 ASN CB C 81 37.900 38.694 -0.794 1
1 1081 . 10 1 1 A 81 81 ASN N N 81 117.000 118.124 -1.124 1
1 1083 . 10 1 1 A 82 82 VAL H H 82 8.180 7.944 0.236 1
1 1084 . 10 1 1 A 82 82 VAL HA H 82 3.590 3.515 0.075 1
1 1092 . 10 1 1 A 82 82 VAL C C 82 176.900 177.827 -0.927 1
1 1093 . 10 1 1 A 82 82 VAL CA C 82 66.800 66.482 0.318 1
1 1094 . 10 1 1 A 82 82 VAL CB C 82 31.100 31.880 -0.780 1
1 1097 . 10 1 1 A 82 82 VAL N N 82 120.900 120.616 0.284 1
1 1098 . 10 1 1 A 83 83 ASN H H 83 8.440 8.818 -0.378 1
1 1099 . 10 1 1 A 83 83 ASN HA H 83 4.440 4.454 -0.014 1
1 1104 . 10 1 1 A 83 83 ASN C C 83 177.700 177.833 -0.133 1
1 1105 . 10 1 1 A 83 83 ASN CA C 83 56.000 56.462 -0.462 1
1 1106 . 10 1 1 A 83 83 ASN CB C 83 37.000 37.518 -0.518 1
1 1107 . 10 1 1 A 83 83 ASN N N 83 120.500 118.887 1.613 1
1 1109 . 10 1 1 A 84 84 GLN H H 84 7.550 7.572 -0.022 1
1 1110 . 10 1 1 A 84 84 GLN HA H 84 4.050 4.109 -0.059 1
1 1117 . 10 1 1 A 84 84 GLN C C 84 179.000 178.750 0.250 1
1 1118 . 10 1 1 A 84 84 GLN CA C 84 58.900 58.649 0.251 1
1 1119 . 10 1 1 A 84 84 GLN CB C 84 28.300 28.138 0.162 1
1 1121 . 10 1 1 A 84 84 GLN N N 84 116.900 119.324 -2.424 1
1 1123 . 10 1 1 A 85 85 LEU H H 85 7.990 8.273 -0.283 1
1 1124 . 10 1 1 A 85 85 LEU HA H 85 4.080 4.085 -0.005 1
1 1134 . 10 1 1 A 85 85 LEU C C 85 180.400 179.221 1.179 1
1 1135 . 10 1 1 A 85 85 LEU CA C 85 58.200 58.075 0.125 1
1 1136 . 10 1 1 A 85 85 LEU CB C 85 41.700 41.593 0.107 1
1 1140 . 10 1 1 A 85 85 LEU N N 85 121.300 119.379 1.921 1
1 1141 . 10 1 1 A 86 86 ILE H H 86 8.630 8.443 0.187 1
1 1142 . 10 1 1 A 86 86 ILE HA H 86 3.560 3.677 -0.117 1
1 1152 . 10 1 1 A 86 86 ILE C C 86 177.700 178.630 -0.930 1
1 1153 . 10 1 1 A 86 86 ILE CA C 86 66.600 64.893 1.707 1
1 1154 . 10 1 1 A 86 86 ILE CB C 86 37.800 36.791 1.009 1
1 1158 . 10 1 1 A 86 86 ILE N N 86 122.000 120.232 1.768 1
1 1159 . 10 1 1 A 87 87 LEU H H 87 8.200 8.030 0.170 1
1 1160 . 10 1 1 A 87 87 LEU HA H 87 4.010 4.038 -0.028 1
1 1170 . 10 1 1 A 87 87 LEU C C 87 179.000 179.413 -0.413 1
1 1171 . 10 1 1 A 87 87 LEU CA C 87 58.200 58.072 0.128 1
1 1172 . 10 1 1 A 87 87 LEU CB C 87 40.800 41.923 -1.123 1
1 1176 . 10 1 1 A 87 87 LEU N N 87 118.300 119.251 -0.951 1
1 1177 . 10 1 1 A 88 88 THR H H 88 8.420 8.299 0.121 1
1 1178 . 10 1 1 A 88 88 THR HA H 88 4.000 4.046 -0.046 1
1 1183 . 10 1 1 A 88 88 THR C C 88 176.300 176.984 -0.684 1
1 1184 . 10 1 1 A 88 88 THR CA C 88 66.500 66.267 0.233 1
1 1185 . 10 1 1 A 88 88 THR CB C 88 69.400 68.500 0.900 1
1 1187 . 10 1 1 A 88 88 THR N N 88 112.700 115.902 -3.202 1
1 1188 . 10 1 1 A 89 89 THR H H 89 7.690 8.203 -0.513 1
1 1189 . 10 1 1 A 89 89 THR HA H 89 4.040 3.932 0.108 1
1 1194 . 10 1 1 A 89 89 THR C C 89 175.500 177.313 -1.813 1
1 1195 . 10 1 1 A 89 89 THR CA C 89 67.100 67.030 0.070 1
1 1196 . 10 1 1 A 89 89 THR CB C 89 68.500 68.305 0.195 1
1 1198 . 10 1 1 A 89 89 THR N N 89 116.600 117.696 -1.096 1
1 1199 . 10 1 1 A 90 90 ILE H H 90 8.330 7.809 0.521 1
1 1200 . 10 1 1 A 90 90 ILE HA H 90 4.420 4.478 -0.058 1
1 1210 . 10 1 1 A 90 90 ILE C C 90 175.700 176.576 -0.876 1
1 1211 . 10 1 1 A 90 90 ILE CA C 90 62.000 63.717 -1.717 1
1 1212 . 10 1 1 A 90 90 ILE CB C 90 38.500 37.608 0.892 1
1 1216 . 10 1 1 A 90 90 ILE N N 90 125.300 115.665 9.635 1
1 1217 . 10 1 1 A 91 91 LYS H H 91 7.450 7.232 0.218 1
1 1218 . 10 1 1 A 91 91 LYS HA H 91 3.970 4.450 -0.480 1
1 1227 . 10 1 1 A 91 91 LYS CA C 91 57.200 55.819 1.381 1
1 1228 . 10 1 1 A 91 91 LYS CB C 91 32.900 32.547 0.353 1
1 1 . 11 1 1 A 3 3 ILE H H 3 8.310 8.505 -0.195 1
1 2 . 11 1 1 A 3 3 ILE HA H 3 3.740 4.106 -0.366 1
1 12 . 11 1 1 A 3 3 ILE C C 3 175.200 176.365 -1.165 1
1 13 . 11 1 1 A 3 3 ILE CA C 3 64.200 59.960 4.240 1
1 14 . 11 1 1 A 3 3 ILE CB C 3 37.400 38.937 -1.537 1
1 18 . 11 1 1 A 3 3 ILE N N 3 124.900 125.385 -0.485 1
1 19 . 11 1 1 A 4 4 LEU H H 4 7.270 7.500 -0.230 1
1 20 . 11 1 1 A 4 4 LEU HA H 4 3.680 4.346 -0.666 1
1 30 . 11 1 1 A 4 4 LEU C C 4 177.300 177.888 -0.588 1
1 31 . 11 1 1 A 4 4 LEU CA C 4 56.300 55.230 1.070 1
1 32 . 11 1 1 A 4 4 LEU CB C 4 41.100 41.340 -0.240 1
1 36 . 11 1 1 A 4 4 LEU N N 4 116.100 123.507 -7.407 1
1 37 . 11 1 1 A 5 5 GLU H H 5 7.350 8.024 -0.674 1
1 38 . 11 1 1 A 5 5 GLU HA H 5 4.290 4.356 -0.066 1
1 43 . 11 1 1 A 5 5 GLU C C 5 176.300 176.230 0.070 1
1 44 . 11 1 1 A 5 5 GLU CA C 5 55.200 58.674 -3.474 1
1 45 . 11 1 1 A 5 5 GLU CB C 5 30.000 30.341 -0.341 1
1 47 . 11 1 1 A 5 5 GLU N N 5 114.200 117.197 -2.997 1
1 48 . 11 1 1 A 6 6 ASP H H 6 7.860 7.613 0.247 1
1 49 . 11 1 1 A 6 6 ASP HA H 6 4.830 4.973 -0.143 1
1 52 . 11 1 1 A 6 6 ASP C C 6 175.500 175.876 -0.376 1
1 53 . 11 1 1 A 6 6 ASP CA C 6 53.000 51.873 1.127 1
1 54 . 11 1 1 A 6 6 ASP CB C 6 40.800 43.293 -2.493 1
1 55 . 11 1 1 A 6 6 ASP N N 6 125.000 122.015 2.985 1
1 56 . 11 1 1 A 7 7 PRO HA H 7 4.240 4.432 -0.192 1
1 63 . 11 1 1 A 7 7 PRO C C 7 179.000 178.338 0.662 1
1 64 . 11 1 1 A 7 7 PRO CA C 7 65.700 64.803 0.897 1
1 65 . 11 1 1 A 7 7 PRO CB C 7 32.300 32.175 0.125 1
1 68 . 11 1 1 A 8 8 GLU H H 8 9.250 8.660 0.590 1
1 69 . 11 1 1 A 8 8 GLU HA H 8 4.120 4.121 -0.001 1
1 74 . 11 1 1 A 8 8 GLU C C 8 178.100 178.976 -0.876 1
1 75 . 11 1 1 A 8 8 GLU CA C 8 60.000 59.036 0.964 1
1 76 . 11 1 1 A 8 8 GLU CB C 8 29.200 29.294 -0.094 1
1 78 . 11 1 1 A 8 8 GLU N N 8 117.600 118.391 -0.791 1
1 79 . 11 1 1 A 9 9 PHE H H 9 7.640 7.878 -0.238 1
1 80 . 11 1 1 A 9 9 PHE HA H 9 4.130 4.049 0.081 1
1 87 . 11 1 1 A 9 9 PHE C C 9 178.600 177.554 1.046 1
1 88 . 11 1 1 A 9 9 PHE CA C 9 62.200 61.276 0.924 1
1 89 . 11 1 1 A 9 9 PHE CB C 9 40.400 39.215 1.185 1
1 94 . 11 1 1 A 9 9 PHE N N 9 118.200 122.775 -4.575 1
1 95 . 11 1 1 A 10 10 VAL H H 10 8.220 7.887 0.333 1
1 96 . 11 1 1 A 10 10 VAL HA H 10 3.590 3.687 -0.097 1
1 104 . 11 1 1 A 10 10 VAL C C 10 179.400 177.587 1.813 1
1 105 . 11 1 1 A 10 10 VAL CA C 10 66.800 64.571 2.229 1
1 106 . 11 1 1 A 10 10 VAL CB C 10 31.700 31.076 0.624 1
1 109 . 11 1 1 A 10 10 VAL N N 10 120.300 118.746 1.554 1
1 110 . 11 1 1 A 11 11 LYS H H 11 7.760 7.424 0.336 1
1 111 . 11 1 1 A 11 11 LYS HA H 11 4.050 3.977 0.073 1
1 120 . 11 1 1 A 11 11 LYS C C 11 179.000 179.435 -0.435 1
1 121 . 11 1 1 A 11 11 LYS CA C 11 59.300 60.054 -0.754 1
1 122 . 11 1 1 A 11 11 LYS CB C 11 32.600 32.525 0.075 1
1 126 . 11 1 1 A 11 11 LYS N N 11 119.600 122.757 -3.157 1
1 127 . 11 1 1 A 12 12 LEU H H 12 7.750 8.246 -0.496 1
1 128 . 11 1 1 A 12 12 LEU HA H 12 4.190 3.965 0.225 1
1 138 . 11 1 1 A 12 12 LEU C C 12 178.400 179.248 -0.848 1
1 139 . 11 1 1 A 12 12 LEU CA C 12 57.800 57.938 -0.138 1
1 140 . 11 1 1 A 12 12 LEU CB C 12 41.900 41.126 0.774 1
1 144 . 11 1 1 A 12 12 LEU N N 12 119.900 119.700 0.200 1
1 145 . 11 1 1 A 13 13 ARG H H 13 7.600 8.093 -0.493 1
1 146 . 11 1 1 A 13 13 ARG HA H 13 3.940 3.806 0.134 1
1 153 . 11 1 1 A 13 13 ARG C C 13 178.600 178.881 -0.281 1
1 154 . 11 1 1 A 13 13 ARG CA C 13 59.000 59.469 -0.469 1
1 155 . 11 1 1 A 13 13 ARG CB C 13 30.200 29.622 0.578 1
1 158 . 11 1 1 A 13 13 ARG N N 13 115.300 119.056 -3.756 1
1 159 . 11 1 1 A 14 14 GLN H H 14 7.770 7.641 0.129 1
1 160 . 11 1 1 A 14 14 GLN HA H 14 4.130 4.129 0.001 1
1 167 . 11 1 1 A 14 14 GLN C C 14 176.500 178.257 -1.757 1
1 168 . 11 1 1 A 14 14 GLN CA C 14 57.100 58.487 -1.387 1
1 169 . 11 1 1 A 14 14 GLN CB C 14 28.200 28.689 -0.489 1
1 171 . 11 1 1 A 14 14 GLN N N 14 116.400 118.862 -2.462 1
1 173 . 11 1 1 A 15 15 PHE H H 15 8.030 8.382 -0.352 1
1 174 . 11 1 1 A 15 15 PHE HA H 15 4.220 4.246 -0.026 1
1 181 . 11 1 1 A 15 15 PHE C C 15 175.200 175.422 -0.222 1
1 182 . 11 1 1 A 15 15 PHE CA C 15 59.100 61.271 -2.171 1
1 183 . 11 1 1 A 15 15 PHE CB C 15 38.800 39.175 -0.375 1
1 188 . 11 1 1 A 15 15 PHE N N 15 116.800 122.259 -5.459 1
1 189 . 11 1 1 A 16 16 LYS H H 16 7.470 8.747 -1.277 1
1 190 . 11 1 1 A 16 16 LYS HA H 16 4.190 4.242 -0.052 1
1 191 . 11 1 1 A 16 16 LYS CA C 16 58.400 58.733 -0.333 1
1 192 . 11 1 1 A 16 16 LYS CB C 16 33.300 32.170 1.130 1
1 193 . 11 1 1 A 16 16 LYS N N 16 122.500 118.846 3.654 1
1 194 . 11 1 1 A 17 17 GLY HA2 H 17 3.920 4.216 -0.296 1
1 195 . 11 1 1 A 17 17 GLY HA3 H 17 4.210 4.237 -0.027 1
1 196 . 11 1 1 A 17 17 GLY C C 17 174.300 173.494 0.806 1
1 197 . 11 1 1 A 17 17 GLY CA C 17 46.200 44.655 1.545 1
1 198 . 11 1 1 A 18 18 LYS H H 18 8.230 8.857 -0.627 1
1 199 . 11 1 1 A 18 18 LYS HA H 18 4.550 4.422 0.128 1
1 208 . 11 1 1 A 18 18 LYS C C 18 175.800 175.684 0.116 1
1 209 . 11 1 1 A 18 18 LYS CA C 18 56.100 54.921 1.179 1
1 210 . 11 1 1 A 18 18 LYS CB C 18 33.700 33.048 0.652 1
1 214 . 11 1 1 A 18 18 LYS N N 18 118.100 124.826 -6.726 1
1 215 . 11 1 1 A 19 19 VAL H H 19 7.150 7.333 -0.183 1
1 216 . 11 1 1 A 19 19 VAL HA H 19 4.400 4.846 -0.446 1
1 224 . 11 1 1 A 19 19 VAL CA C 19 58.800 58.490 0.310 1
1 225 . 11 1 1 A 19 19 VAL CB C 19 34.300 34.782 -0.482 1
1 228 . 11 1 1 A 19 19 VAL N N 19 111.100 116.100 -5.000 1
1 229 . 11 1 1 A 20 20 ASN HA H 20 4.660 4.892 -0.232 1
1 234 . 11 1 1 A 20 20 ASN C C 20 174.600 176.229 -1.629 1
1 235 . 11 1 1 A 20 20 ASN CA C 20 52.700 53.968 -1.268 1
1 236 . 11 1 1 A 20 20 ASN CB C 20 37.900 38.728 -0.828 1
1 238 . 11 1 1 A 21 21 PHE H H 21 8.580 8.992 -0.412 1
1 239 . 11 1 1 A 21 21 PHE HA H 21 3.730 3.948 -0.218 1
1 247 . 11 1 1 A 21 21 PHE C C 21 175.300 177.025 -1.725 1
1 248 . 11 1 1 A 21 21 PHE CA C 21 62.500 62.496 0.004 1
1 249 . 11 1 1 A 21 21 PHE CB C 21 40.400 39.956 0.444 1
1 255 . 11 1 1 A 21 21 PHE N N 21 128.200 125.836 2.364 1
1 256 . 11 1 1 A 22 22 ASN H H 22 8.220 8.253 -0.033 1
1 257 . 11 1 1 A 22 22 ASN HA H 22 4.300 4.075 0.225 1
1 262 . 11 1 1 A 22 22 ASN C C 22 177.800 178.043 -0.243 1
1 263 . 11 1 1 A 22 22 ASN CA C 22 56.400 56.370 0.030 1
1 264 . 11 1 1 A 22 22 ASN CB C 22 37.900 38.162 -0.262 1
1 265 . 11 1 1 A 22 22 ASN N N 22 114.600 117.223 -2.623 1
1 267 . 11 1 1 A 23 23 LEU H H 23 7.440 7.507 -0.067 1
1 268 . 11 1 1 A 23 23 LEU HA H 23 4.190 4.030 0.160 1
1 278 . 11 1 1 A 23 23 LEU C C 23 177.800 178.648 -0.848 1
1 279 . 11 1 1 A 23 23 LEU CA C 23 56.900 57.736 -0.836 1
1 280 . 11 1 1 A 23 23 LEU CB C 23 41.400 41.872 -0.472 1
1 284 . 11 1 1 A 23 23 LEU N N 23 122.500 120.667 1.833 1
1 285 . 11 1 1 A 24 24 VAL H H 24 7.930 8.268 -0.338 1
1 286 . 11 1 1 A 24 24 VAL HA H 24 3.560 3.588 -0.028 1
1 294 . 11 1 1 A 24 24 VAL C C 24 177.500 177.656 -0.156 1
1 295 . 11 1 1 A 24 24 VAL CA C 24 67.200 67.186 0.014 1
1 296 . 11 1 1 A 24 24 VAL CB C 24 31.000 31.311 -0.311 1
1 299 . 11 1 1 A 24 24 VAL N N 24 119.400 119.063 0.337 1
1 300 . 11 1 1 A 25 25 MET H H 25 8.020 8.365 -0.345 1
1 301 . 11 1 1 A 25 25 MET HA H 25 3.640 3.928 -0.288 1
1 309 . 11 1 1 A 25 25 MET C C 25 176.800 178.022 -1.222 1
1 310 . 11 1 1 A 25 25 MET CA C 25 60.000 58.363 1.637 1
1 311 . 11 1 1 A 25 25 MET CB C 25 32.900 31.238 1.662 1
1 314 . 11 1 1 A 25 25 MET N N 25 116.600 119.260 -2.660 1
1 315 . 11 1 1 A 26 26 GLN H H 26 7.530 7.760 -0.230 1
1 316 . 11 1 1 A 26 26 GLN HA H 26 4.050 4.046 0.004 1
1 323 . 11 1 1 A 26 26 GLN C C 26 177.800 178.485 -0.685 1
1 324 . 11 1 1 A 26 26 GLN CA C 26 59.100 58.811 0.289 1
1 325 . 11 1 1 A 26 26 GLN CB C 26 28.100 28.177 -0.077 1
1 327 . 11 1 1 A 26 26 GLN N N 26 118.200 118.610 -0.410 1
1 329 . 11 1 1 A 27 27 ILE H H 27 8.230 8.322 -0.092 1
1 330 . 11 1 1 A 27 27 ILE HA H 27 3.350 3.538 -0.188 1
1 340 . 11 1 1 A 27 27 ILE C C 27 177.700 178.481 -0.781 1
1 341 . 11 1 1 A 27 27 ILE CA C 27 65.900 65.926 -0.026 1
1 342 . 11 1 1 A 27 27 ILE CB C 27 37.900 38.243 -0.343 1
1 346 . 11 1 1 A 27 27 ILE N N 27 120.700 120.768 -0.068 1
1 347 . 11 1 1 A 28 28 LEU H H 28 8.550 8.396 0.154 1
1 348 . 11 1 1 A 28 28 LEU HA H 28 4.020 3.944 0.076 1
1 358 . 11 1 1 A 28 28 LEU C C 28 179.900 179.097 0.803 1
1 359 . 11 1 1 A 28 28 LEU CA C 28 58.400 58.181 0.219 1
1 360 . 11 1 1 A 28 28 LEU CB C 28 39.700 40.917 -1.217 1
1 364 . 11 1 1 A 28 28 LEU N N 28 118.900 118.479 0.421 1
1 365 . 11 1 1 A 29 29 ASP H H 29 8.470 8.526 -0.056 1
1 366 . 11 1 1 A 29 29 ASP HA H 29 4.440 4.246 0.194 1
1 369 . 11 1 1 A 29 29 ASP C C 29 179.600 178.498 1.102 1
1 370 . 11 1 1 A 29 29 ASP CA C 29 57.400 57.848 -0.448 1
1 371 . 11 1 1 A 29 29 ASP CB C 29 40.400 41.274 -0.874 1
1 372 . 11 1 1 A 29 29 ASP N N 29 120.700 119.478 1.222 1
1 373 . 11 1 1 A 30 30 GLU H H 30 8.630 8.740 -0.110 1
1 374 . 11 1 1 A 30 30 GLU HA H 30 3.980 4.087 -0.107 1
1 379 . 11 1 1 A 30 30 GLU C C 30 180.600 178.748 1.852 1
1 380 . 11 1 1 A 30 30 GLU CA C 30 60.000 59.236 0.764 1
1 381 . 11 1 1 A 30 30 GLU CB C 30 29.900 29.538 0.362 1
1 383 . 11 1 1 A 30 30 GLU N N 30 120.800 118.911 1.889 1
1 384 . 11 1 1 A 31 31 ILE H H 31 8.520 7.574 0.946 1
1 385 . 11 1 1 A 31 31 ILE HA H 31 3.540 3.870 -0.330 1
1 395 . 11 1 1 A 31 31 ILE C C 31 176.400 178.036 -1.636 1
1 396 . 11 1 1 A 31 31 ILE CA C 31 66.600 63.873 2.727 1
1 397 . 11 1 1 A 31 31 ILE CB C 31 37.800 37.492 0.308 1
1 401 . 11 1 1 A 31 31 ILE N N 31 123.100 119.963 3.137 1
1 402 . 11 1 1 A 32 32 GLU H H 32 8.070 8.426 -0.356 1
1 403 . 11 1 1 A 32 32 GLU HA H 32 3.730 4.008 -0.278 1
1 408 . 11 1 1 A 32 32 GLU C C 32 178.400 178.978 -0.578 1
1 409 . 11 1 1 A 32 32 GLU CA C 32 60.800 59.456 1.344 1
1 410 . 11 1 1 A 32 32 GLU CB C 32 28.800 29.525 -0.725 1
1 412 . 11 1 1 A 32 32 GLU N N 32 120.300 121.529 -1.229 1
1 413 . 11 1 1 A 33 33 LEU H H 33 8.160 8.243 -0.083 1
1 414 . 11 1 1 A 33 33 LEU HA H 33 3.980 4.017 -0.037 1
1 424 . 11 1 1 A 33 33 LEU C C 33 180.100 178.230 1.870 1
1 425 . 11 1 1 A 33 33 LEU CA C 33 58.000 58.017 -0.017 1
1 426 . 11 1 1 A 33 33 LEU CB C 33 42.100 41.132 0.968 1
1 430 . 11 1 1 A 33 33 LEU N N 33 117.900 119.662 -1.762 1
1 431 . 11 1 1 A 34 34 ASP H H 34 8.200 7.890 0.310 1
1 432 . 11 1 1 A 34 34 ASP HA H 34 4.290 4.393 -0.103 1
1 435 . 11 1 1 A 34 34 ASP C C 34 178.600 178.350 0.250 1
1 436 . 11 1 1 A 34 34 ASP CA C 34 58.200 57.585 0.615 1
1 437 . 11 1 1 A 34 34 ASP CB C 34 42.800 41.112 1.688 1
1 438 . 11 1 1 A 34 34 ASP N N 34 120.500 119.676 0.824 1
1 439 . 11 1 1 A 35 35 LEU H H 35 8.630 8.574 0.056 1
1 440 . 11 1 1 A 35 35 LEU HA H 35 4.360 4.055 0.305 1
1 450 . 11 1 1 A 35 35 LEU C C 35 179.000 178.432 0.568 1
1 451 . 11 1 1 A 35 35 LEU CA C 35 56.400 57.470 -1.070 1
1 452 . 11 1 1 A 35 35 LEU CB C 35 42.800 41.221 1.579 1
1 456 . 11 1 1 A 35 35 LEU N N 35 121.300 120.438 0.862 1
1 457 . 11 1 1 A 36 36 ARG H H 36 7.410 7.770 -0.360 1
1 458 . 11 1 1 A 36 36 ARG HA H 36 4.050 4.043 0.007 1
1 465 . 11 1 1 A 36 36 ARG C C 36 177.800 177.070 0.730 1
1 466 . 11 1 1 A 36 36 ARG CA C 36 59.000 59.648 -0.648 1
1 467 . 11 1 1 A 36 36 ARG CB C 36 30.000 30.101 -0.101 1
1 470 . 11 1 1 A 36 36 ARG N N 36 117.000 119.541 -2.541 1
1 471 . 11 1 1 A 37 37 GLY H H 37 7.580 7.155 0.425 1
1 472 . 11 1 1 A 37 37 GLY HA2 H 37 3.830 4.137 -0.307 1
1 473 . 11 1 1 A 37 37 GLY HA3 H 37 4.280 4.142 0.138 1
1 474 . 11 1 1 A 37 37 GLY C C 37 174.800 174.407 0.393 1
1 475 . 11 1 1 A 37 37 GLY CA C 37 45.200 45.865 -0.665 1
1 476 . 11 1 1 A 37 37 GLY N N 37 103.600 106.912 -3.312 1
1 477 . 11 1 1 A 38 38 SER H H 38 8.380 7.898 0.482 1
1 478 . 11 1 1 A 38 38 SER HA H 38 4.330 4.765 -0.435 1
1 481 . 11 1 1 A 38 38 SER C C 38 175.100 173.750 1.350 1
1 482 . 11 1 1 A 38 38 SER CA C 38 58.700 58.979 -0.279 1
1 483 . 11 1 1 A 38 38 SER CB C 38 63.800 65.137 -1.337 1
1 484 . 11 1 1 A 38 38 SER N N 38 117.800 114.270 3.530 1
1 485 . 11 1 1 A 39 39 ASP H H 39 8.520 8.169 0.351 1
1 486 . 11 1 1 A 39 39 ASP HA H 39 4.470 4.954 -0.484 1
1 489 . 11 1 1 A 39 39 ASP C C 39 175.300 174.249 1.051 1
1 490 . 11 1 1 A 39 39 ASP CA C 39 55.400 52.363 3.037 1
1 491 . 11 1 1 A 39 39 ASP CB C 39 41.500 43.470 -1.970 1
1 492 . 11 1 1 A 39 39 ASP N N 39 120.500 117.012 3.488 1
1 493 . 11 1 1 A 40 40 ASN H H 40 8.230 8.746 -0.516 1
1 494 . 11 1 1 A 40 40 ASN HA H 40 4.800 4.823 -0.023 1
1 499 . 11 1 1 A 40 40 ASN C C 40 174.600 176.116 -1.516 1
1 500 . 11 1 1 A 40 40 ASN CA C 40 52.900 53.127 -0.227 1
1 501 . 11 1 1 A 40 40 ASN CB C 40 39.500 40.431 -0.931 1
1 502 . 11 1 1 A 40 40 ASN N N 40 116.100 118.856 -2.756 1
1 504 . 11 1 1 A 41 41 ILE H H 41 8.340 8.396 -0.056 1
1 505 . 11 1 1 A 41 41 ILE HA H 41 3.840 3.753 0.087 1
1 515 . 11 1 1 A 41 41 ILE C C 41 175.000 177.259 -2.259 1
1 516 . 11 1 1 A 41 41 ILE CA C 41 62.500 63.935 -1.435 1
1 517 . 11 1 1 A 41 41 ILE CB C 41 37.600 37.615 -0.015 1
1 521 . 11 1 1 A 41 41 ILE N N 41 124.800 127.777 -2.977 1
1 522 . 11 1 1 A 42 42 LYS H H 42 7.790 7.956 -0.166 1
1 523 . 11 1 1 A 42 42 LYS HA H 42 3.780 3.924 -0.144 1
1 532 . 11 1 1 A 42 42 LYS C C 42 178.300 178.721 -0.421 1
1 533 . 11 1 1 A 42 42 LYS CA C 42 60.200 58.710 1.490 1
1 534 . 11 1 1 A 42 42 LYS CB C 42 31.800 31.518 0.282 1
1 538 . 11 1 1 A 42 42 LYS N N 42 122.100 119.804 2.296 1
1 539 . 11 1 1 A 43 43 THR H H 43 7.500 7.716 -0.216 1
1 540 . 11 1 1 A 43 43 THR HA H 43 3.790 3.671 0.119 1
1 545 . 11 1 1 A 43 43 THR C C 43 177.100 175.687 1.413 1
1 546 . 11 1 1 A 43 43 THR CA C 43 65.900 66.483 -0.583 1
1 547 . 11 1 1 A 43 43 THR CB C 43 68.400 68.399 0.001 1
1 549 . 11 1 1 A 43 43 THR N N 43 112.900 117.414 -4.514 1
1 550 . 11 1 1 A 44 44 SER H H 44 7.860 8.175 -0.315 1
1 551 . 11 1 1 A 44 44 SER HA H 44 4.570 4.163 0.407 1
1 554 . 11 1 1 A 44 44 SER C C 44 175.100 175.980 -0.880 1
1 555 . 11 1 1 A 44 44 SER CA C 44 63.600 62.297 1.303 1
1 556 . 11 1 1 A 44 44 SER CB C 44 63.900 62.920 0.980 1
1 557 . 11 1 1 A 44 44 SER N N 44 119.700 117.275 2.425 1
1 558 . 11 1 1 A 45 45 ILE H H 45 8.240 7.873 0.367 1
1 559 . 11 1 1 A 45 45 ILE HA H 45 3.140 3.490 -0.350 1
1 569 . 11 1 1 A 45 45 ILE C C 45 176.500 178.063 -1.563 1
1 570 . 11 1 1 A 45 45 ILE CA C 45 66.200 64.573 1.627 1
1 571 . 11 1 1 A 45 45 ILE CB C 45 37.800 37.526 0.274 1
1 575 . 11 1 1 A 45 45 ILE N N 45 121.300 120.633 0.667 1
1 576 . 11 1 1 A 46 46 ILE H H 46 7.680 7.392 0.288 1
1 577 . 11 1 1 A 46 46 ILE HA H 46 3.480 3.434 0.046 1
1 587 . 11 1 1 A 46 46 ILE C C 46 178.900 177.649 1.251 1
1 588 . 11 1 1 A 46 46 ILE CA C 46 65.300 65.106 0.194 1
1 589 . 11 1 1 A 46 46 ILE CB C 46 37.800 37.505 0.295 1
1 593 . 11 1 1 A 46 46 ILE N N 46 117.100 119.844 -2.744 1
1 594 . 11 1 1 A 47 47 TYR H H 47 8.400 7.380 1.020 1
1 595 . 11 1 1 A 47 47 TYR HA H 47 4.190 4.391 -0.201 1
1 602 . 11 1 1 A 47 47 TYR C C 47 178.700 178.490 0.210 1
1 603 . 11 1 1 A 47 47 TYR CA C 47 61.300 60.639 0.661 1
1 604 . 11 1 1 A 47 47 TYR CB C 47 38.400 37.663 0.737 1
1 609 . 11 1 1 A 47 47 TYR N N 47 120.900 119.789 1.111 1
1 610 . 11 1 1 A 48 48 VAL H H 48 8.480 7.855 0.625 1
1 611 . 11 1 1 A 48 48 VAL HA H 48 3.560 4.001 -0.441 1
1 619 . 11 1 1 A 48 48 VAL C C 48 179.600 178.081 1.519 1
1 620 . 11 1 1 A 48 48 VAL CA C 48 67.000 66.108 0.892 1
1 621 . 11 1 1 A 48 48 VAL CB C 48 31.700 31.903 -0.203 1
1 624 . 11 1 1 A 48 48 VAL N N 48 121.600 119.772 1.828 1
1 625 . 11 1 1 A 49 49 TYR H H 49 9.630 8.602 1.028 1
1 626 . 11 1 1 A 49 49 TYR HA H 49 4.080 4.332 -0.252 1
1 633 . 11 1 1 A 49 49 TYR C C 49 179.300 178.483 0.817 1
1 634 . 11 1 1 A 49 49 TYR CA C 49 59.900 60.189 -0.289 1
1 635 . 11 1 1 A 49 49 TYR CB C 49 35.300 37.353 -2.053 1
1 640 . 11 1 1 A 49 49 TYR N N 49 122.000 119.293 2.707 1
1 641 . 11 1 1 A 50 50 SER H H 50 8.120 8.508 -0.388 1
1 642 . 11 1 1 A 50 50 SER HA H 50 4.130 4.171 -0.041 1
1 645 . 11 1 1 A 50 50 SER C C 50 175.700 177.120 -1.420 1
1 646 . 11 1 1 A 50 50 SER CA C 50 62.000 61.326 0.674 1
1 647 . 11 1 1 A 50 50 SER CB C 50 62.900 63.187 -0.287 1
1 648 . 11 1 1 A 50 50 SER N N 50 112.600 115.668 -3.068 1
1 649 . 11 1 1 A 51 51 SER H H 51 7.510 7.552 -0.042 1
1 650 . 11 1 1 A 51 51 SER HA H 51 4.350 4.219 0.131 1
1 653 . 11 1 1 A 51 51 SER C C 51 173.600 175.107 -1.507 1
1 654 . 11 1 1 A 51 51 SER CA C 51 59.500 60.687 -1.187 1
1 655 . 11 1 1 A 51 51 SER CB C 51 63.300 63.379 -0.079 1
1 656 . 11 1 1 A 51 51 SER N N 51 116.800 115.083 1.717 1
1 657 . 11 1 1 A 52 52 HIS H H 52 7.590 7.848 -0.258 1
1 658 . 11 1 1 A 52 52 HIS HA H 52 4.890 5.001 -0.111 1
1 663 . 11 1 1 A 52 52 HIS C C 52 175.200 175.549 -0.349 1
1 664 . 11 1 1 A 52 52 HIS CA C 52 54.100 54.889 -0.789 1
1 665 . 11 1 1 A 52 52 HIS CB C 52 29.500 29.407 0.093 1
1 668 . 11 1 1 A 52 52 HIS N N 52 120.500 116.560 3.940 1
1 669 . 11 1 1 A 53 53 LEU H H 53 7.440 7.778 -0.338 1
1 670 . 11 1 1 A 53 53 LEU HA H 53 3.870 3.717 0.153 1
1 680 . 11 1 1 A 53 53 LEU C C 53 177.900 178.450 -0.550 1
1 681 . 11 1 1 A 53 53 LEU CA C 53 59.100 58.176 0.924 1
1 682 . 11 1 1 A 53 53 LEU CB C 53 42.300 41.301 0.999 1
1 686 . 11 1 1 A 53 53 LEU N N 53 121.400 120.996 0.404 1
1 687 . 11 1 1 A 54 54 ASP H H 54 8.400 8.132 0.268 1
1 688 . 11 1 1 A 54 54 ASP HA H 54 4.290 4.213 0.077 1
1 691 . 11 1 1 A 54 54 ASP C C 54 177.900 179.019 -1.119 1
1 692 . 11 1 1 A 54 54 ASP CA C 54 57.600 57.736 -0.136 1
1 693 . 11 1 1 A 54 54 ASP CB C 54 40.200 41.960 -1.760 1
1 694 . 11 1 1 A 54 54 ASP N N 54 115.900 119.647 -3.747 1
1 695 . 11 1 1 A 55 55 GLU H H 55 7.500 7.673 -0.173 1
1 696 . 11 1 1 A 55 55 GLU HA H 55 4.310 4.177 0.133 1
1 701 . 11 1 1 A 55 55 GLU C C 55 178.300 179.194 -0.894 1
1 702 . 11 1 1 A 55 55 GLU CA C 55 57.800 58.743 -0.943 1
1 703 . 11 1 1 A 55 55 GLU CB C 55 29.100 29.224 -0.124 1
1 705 . 11 1 1 A 55 55 GLU N N 55 120.100 118.838 1.262 1
1 706 . 11 1 1 A 56 56 ILE H H 56 7.720 7.562 0.158 1
1 707 . 11 1 1 A 56 56 ILE HA H 56 3.440 2.973 0.467 1
1 717 . 11 1 1 A 56 56 ILE C C 56 178.600 178.425 0.175 1
1 718 . 11 1 1 A 56 56 ILE CA C 56 62.500 64.857 -2.357 1
1 719 . 11 1 1 A 56 56 ILE CB C 56 36.200 37.358 -1.158 1
1 723 . 11 1 1 A 56 56 ILE N N 56 119.600 120.598 -0.998 1
1 724 . 11 1 1 A 57 57 ARG H H 57 8.200 8.412 -0.212 1
1 725 . 11 1 1 A 57 57 ARG HA H 57 3.930 4.109 -0.179 1
1 732 . 11 1 1 A 57 57 ARG C C 57 178.800 178.772 0.028 1
1 733 . 11 1 1 A 57 57 ARG CA C 57 59.000 58.361 0.639 1
1 734 . 11 1 1 A 57 57 ARG CB C 57 30.100 29.729 0.371 1
1 737 . 11 1 1 A 57 57 ARG N N 57 115.500 120.888 -5.388 1
1 738 . 11 1 1 A 58 58 LYS H H 58 7.400 7.486 -0.086 1
1 739 . 11 1 1 A 58 58 LYS HA H 58 4.210 4.091 0.119 1
1 748 . 11 1 1 A 58 58 LYS C C 58 176.800 177.072 -0.272 1
1 749 . 11 1 1 A 58 58 LYS CA C 58 58.100 58.803 -0.703 1
1 750 . 11 1 1 A 58 58 LYS CB C 58 33.100 32.833 0.267 1
1 754 . 11 1 1 A 58 58 LYS N N 58 117.400 120.074 -2.674 1
1 755 . 11 1 1 A 59 59 ASN H H 59 7.630 7.831 -0.201 1
1 756 . 11 1 1 A 59 59 ASN HA H 59 5.310 5.236 0.074 1
1 761 . 11 1 1 A 59 59 ASN C C 59 174.900 175.036 -0.136 1
1 762 . 11 1 1 A 59 59 ASN CA C 59 52.100 52.338 -0.238 1
1 763 . 11 1 1 A 59 59 ASN CB C 59 40.200 39.229 0.971 1
1 764 . 11 1 1 A 59 59 ASN N N 59 119.200 115.724 3.476 1
1 766 . 11 1 1 A 60 60 LYS H H 60 7.460 7.849 -0.389 1
1 767 . 11 1 1 A 60 60 LYS HA H 60 4.070 4.391 -0.321 1
1 776 . 11 1 1 A 60 60 LYS C C 60 177.900 178.603 -0.703 1
1 777 . 11 1 1 A 60 60 LYS CA C 60 61.100 59.168 1.932 1
1 778 . 11 1 1 A 60 60 LYS CB C 60 33.300 31.868 1.432 1
1 782 . 11 1 1 A 60 60 LYS N N 60 122.700 118.982 3.718 1
1 783 . 11 1 1 A 61 61 GLU H H 61 8.660 8.096 0.564 1
1 784 . 11 1 1 A 61 61 GLU HA H 61 4.080 4.057 0.023 1
1 789 . 11 1 1 A 61 61 GLU C C 61 178.900 179.019 -0.119 1
1 790 . 11 1 1 A 61 61 GLU CA C 61 60.100 59.238 0.862 1
1 791 . 11 1 1 A 61 61 GLU CB C 61 29.100 29.456 -0.356 1
1 793 . 11 1 1 A 61 61 GLU N N 61 117.300 119.696 -2.396 1
1 794 . 11 1 1 A 62 62 PHE H H 62 7.670 8.038 -0.368 1
1 795 . 11 1 1 A 62 62 PHE HA H 62 3.420 3.822 -0.402 1
1 803 . 11 1 1 A 62 62 PHE C C 62 176.200 176.861 -0.661 1
1 804 . 11 1 1 A 62 62 PHE CA C 62 60.900 60.899 0.001 1
1 805 . 11 1 1 A 62 62 PHE CB C 62 38.300 38.485 -0.185 1
1 811 . 11 1 1 A 62 62 PHE N N 62 119.300 120.563 -1.263 1
1 812 . 11 1 1 A 63 63 TYR H H 63 7.850 8.539 -0.689 1
1 813 . 11 1 1 A 63 63 TYR HA H 63 3.870 4.157 -0.287 1
1 820 . 11 1 1 A 63 63 TYR C C 63 180.200 177.668 2.532 1
1 821 . 11 1 1 A 63 63 TYR CA C 63 63.500 61.507 1.993 1
1 822 . 11 1 1 A 63 63 TYR CB C 63 37.100 37.214 -0.114 1
1 827 . 11 1 1 A 63 63 TYR N N 63 116.500 117.400 -0.900 1
1 828 . 11 1 1 A 64 64 ASP H H 64 9.110 8.322 0.788 1
1 829 . 11 1 1 A 64 64 ASP HA H 64 4.650 4.501 0.149 1
1 832 . 11 1 1 A 64 64 ASP C C 64 178.700 178.431 0.269 1
1 833 . 11 1 1 A 64 64 ASP CA C 64 57.600 57.382 0.218 1
1 834 . 11 1 1 A 64 64 ASP CB C 64 39.800 40.979 -1.179 1
1 835 . 11 1 1 A 64 64 ASP N N 64 126.100 121.345 4.755 1
1 836 . 11 1 1 A 65 65 MET H H 65 7.600 8.054 -0.454 1
1 837 . 11 1 1 A 65 65 MET HA H 65 4.140 4.118 0.022 1
1 845 . 11 1 1 A 65 65 MET C C 65 178.800 178.087 0.713 1
1 846 . 11 1 1 A 65 65 MET CA C 65 59.300 58.640 0.660 1
1 847 . 11 1 1 A 65 65 MET CB C 65 32.800 32.841 -0.041 1
1 850 . 11 1 1 A 65 65 MET N N 65 121.100 117.646 3.454 1
1 851 . 11 1 1 A 66 66 ILE H H 66 7.910 7.970 -0.060 1
1 852 . 11 1 1 A 66 66 ILE HA H 66 3.430 3.709 -0.279 1
1 862 . 11 1 1 A 66 66 ILE C C 66 177.000 177.887 -0.887 1
1 863 . 11 1 1 A 66 66 ILE CA C 66 64.500 64.143 0.357 1
1 864 . 11 1 1 A 66 66 ILE CB C 66 36.700 37.470 -0.770 1
1 868 . 11 1 1 A 66 66 ILE N N 66 116.900 116.770 0.130 1
1 869 . 11 1 1 A 67 67 ALA H H 67 7.660 8.135 -0.475 1
1 870 . 11 1 1 A 67 67 ALA HA H 67 3.940 3.922 0.018 1
1 874 . 11 1 1 A 67 67 ALA C C 67 180.200 179.744 0.456 1
1 875 . 11 1 1 A 67 67 ALA CA C 67 55.600 55.654 -0.054 1
1 876 . 11 1 1 A 67 67 ALA CB C 67 18.000 18.217 -0.217 1
1 877 . 11 1 1 A 67 67 ALA N N 67 120.700 123.280 -2.580 1
1 878 . 11 1 1 A 68 68 GLU H H 68 7.660 7.793 -0.133 1
1 879 . 11 1 1 A 68 68 GLU HA H 68 4.040 4.089 -0.049 1
1 884 . 11 1 1 A 68 68 GLU C C 68 179.000 178.993 0.007 1
1 885 . 11 1 1 A 68 68 GLU CA C 68 59.300 59.134 0.166 1
1 886 . 11 1 1 A 68 68 GLU CB C 68 29.500 29.417 0.083 1
1 888 . 11 1 1 A 68 68 GLU N N 68 118.700 118.652 0.048 1
1 889 . 11 1 1 A 69 69 ILE H H 69 8.240 8.183 0.057 1
1 890 . 11 1 1 A 69 69 ILE HA H 69 3.630 3.779 -0.149 1
1 900 . 11 1 1 A 69 69 ILE C C 69 178.200 178.240 -0.040 1
1 901 . 11 1 1 A 69 69 ILE CA C 69 65.700 65.759 -0.059 1
1 902 . 11 1 1 A 69 69 ILE CB C 69 38.100 37.681 0.419 1
1 906 . 11 1 1 A 69 69 ILE N N 69 120.700 119.481 1.219 1
1 907 . 11 1 1 A 70 70 LEU H H 70 8.770 8.924 -0.154 1
1 908 . 11 1 1 A 70 70 LEU HA H 70 3.960 3.880 0.080 1
1 918 . 11 1 1 A 70 70 LEU C C 70 179.300 179.563 -0.263 1
1 919 . 11 1 1 A 70 70 LEU CA C 70 59.100 58.315 0.785 1
1 920 . 11 1 1 A 70 70 LEU CB C 70 43.000 41.631 1.369 1
1 924 . 11 1 1 A 70 70 LEU N N 70 119.100 120.563 -1.463 1
1 925 . 11 1 1 A 71 71 GLN H H 71 7.660 7.781 -0.121 1
1 926 . 11 1 1 A 71 71 GLN HA H 71 3.960 4.106 -0.146 1
1 933 . 11 1 1 A 71 71 GLN C C 71 177.700 178.925 -1.225 1
1 934 . 11 1 1 A 71 71 GLN CA C 71 59.800 59.348 0.452 1
1 935 . 11 1 1 A 71 71 GLN CB C 71 30.000 28.457 1.543 1
1 937 . 11 1 1 A 71 71 GLN N N 71 114.200 118.142 -3.942 1
1 939 . 11 1 1 A 72 72 ARG H H 72 8.180 7.863 0.317 1
1 940 . 11 1 1 A 72 72 ARG HA H 72 4.000 3.994 0.006 1
1 947 . 11 1 1 A 72 72 ARG C C 72 178.900 177.930 0.970 1
1 948 . 11 1 1 A 72 72 ARG CA C 72 58.900 58.948 -0.048 1
1 949 . 11 1 1 A 72 72 ARG CB C 72 31.100 29.949 1.151 1
1 952 . 11 1 1 A 72 72 ARG N N 72 118.300 120.198 -1.898 1
1 953 . 11 1 1 A 73 73 TYR H H 73 7.970 8.272 -0.302 1
1 954 . 11 1 1 A 73 73 TYR HA H 73 4.800 4.325 0.475 1
1 961 . 11 1 1 A 73 73 TYR C C 73 178.000 177.798 0.202 1
1 962 . 11 1 1 A 73 73 TYR CA C 73 60.100 59.773 0.327 1
1 963 . 11 1 1 A 73 73 TYR CB C 73 41.200 38.481 2.719 1
1 968 . 11 1 1 A 73 73 TYR N N 73 111.500 118.232 -6.732 1
1 969 . 11 1 1 A 74 74 TYR H H 74 8.750 8.197 0.553 1
1 970 . 11 1 1 A 74 74 TYR HA H 74 4.080 4.199 -0.119 1
1 977 . 11 1 1 A 74 74 TYR C C 74 176.600 177.512 -0.912 1
1 978 . 11 1 1 A 74 74 TYR CA C 74 62.400 61.251 1.149 1
1 979 . 11 1 1 A 74 74 TYR CB C 74 36.100 38.473 -2.373 1
1 984 . 11 1 1 A 74 74 TYR N N 74 121.500 120.954 0.546 1
1 985 . 11 1 1 A 75 75 LYS H H 75 7.760 7.565 0.195 1
1 986 . 11 1 1 A 75 75 LYS HA H 75 3.710 3.597 0.113 1
1 995 . 11 1 1 A 75 75 LYS C C 75 177.500 178.571 -1.071 1
1 996 . 11 1 1 A 75 75 LYS CA C 75 57.600 58.516 -0.916 1
1 997 . 11 1 1 A 75 75 LYS CB C 75 31.800 32.083 -0.283 1
1 1001 . 11 1 1 A 75 75 LYS N N 75 120.300 119.872 0.428 1
1 1002 . 11 1 1 A 76 76 LYS H H 76 7.510 7.726 -0.216 1
1 1003 . 11 1 1 A 76 76 LYS HA H 76 4.230 3.984 0.246 1
1 1012 . 11 1 1 A 76 76 LYS C C 76 177.900 177.863 0.037 1
1 1013 . 11 1 1 A 76 76 LYS CA C 76 58.300 58.862 -0.562 1
1 1014 . 11 1 1 A 76 76 LYS CB C 76 33.700 33.061 0.639 1
1 1018 . 11 1 1 A 76 76 LYS N N 76 118.000 119.366 -1.366 1
1 1019 . 11 1 1 A 77 77 ILE H H 77 7.610 8.276 -0.666 1
1 1020 . 11 1 1 A 77 77 ILE HA H 77 4.670 4.442 0.228 1
1 1030 . 11 1 1 A 77 77 ILE C C 77 176.000 175.784 0.216 1
1 1031 . 11 1 1 A 77 77 ILE CA C 77 60.600 61.088 -0.488 1
1 1032 . 11 1 1 A 77 77 ILE CB C 77 39.700 40.216 -0.516 1
1 1036 . 11 1 1 A 77 77 ILE N N 77 108.200 111.872 -3.672 1
1 1037 . 11 1 1 A 78 78 GLY H H 78 7.390 7.496 -0.106 1
1 1038 . 11 1 1 A 78 78 GLY HA2 H 78 4.730 4.113 0.617 1
1 1039 . 11 1 1 A 78 78 GLY HA3 H 78 3.970 4.114 -0.144 1
1 1040 . 11 1 1 A 78 78 GLY C C 78 175.800 174.855 0.945 1
1 1041 . 11 1 1 A 78 78 GLY CA C 78 44.900 44.697 0.203 1
1 1042 . 11 1 1 A 78 78 GLY N N 78 112.200 109.656 2.544 1
1 1043 . 11 1 1 A 79 79 ILE H H 79 9.030 8.893 0.137 1
1 1044 . 11 1 1 A 79 79 ILE HA H 79 4.080 4.004 0.076 1
1 1054 . 11 1 1 A 79 79 ILE C C 79 174.700 177.847 -3.147 1
1 1055 . 11 1 1 A 79 79 ILE CA C 79 62.900 63.210 -0.310 1
1 1056 . 11 1 1 A 79 79 ILE CB C 79 38.600 38.095 0.505 1
1 1060 . 11 1 1 A 79 79 ILE N N 79 125.700 122.027 3.673 1
1 1061 . 11 1 1 A 80 80 GLU H H 80 9.480 8.299 1.181 1
1 1062 . 11 1 1 A 80 80 GLU HA H 80 4.070 4.055 0.015 1
1 1067 . 11 1 1 A 80 80 GLU C C 80 179.200 179.443 -0.243 1
1 1068 . 11 1 1 A 80 80 GLU CA C 80 59.700 59.740 -0.040 1
1 1069 . 11 1 1 A 80 80 GLU CB C 80 28.100 29.381 -1.281 1
1 1071 . 11 1 1 A 80 80 GLU N N 80 122.400 122.259 0.141 1
1 1072 . 11 1 1 A 81 81 ASN H H 81 7.570 8.047 -0.477 1
1 1073 . 11 1 1 A 81 81 ASN HA H 81 4.580 4.523 0.057 1
1 1078 . 11 1 1 A 81 81 ASN C C 81 177.600 177.676 -0.076 1
1 1079 . 11 1 1 A 81 81 ASN CA C 81 55.600 56.366 -0.766 1
1 1080 . 11 1 1 A 81 81 ASN CB C 81 37.900 39.398 -1.498 1
1 1081 . 11 1 1 A 81 81 ASN N N 81 117.000 117.970 -0.970 1
1 1083 . 11 1 1 A 82 82 VAL H H 82 8.180 7.764 0.416 1
1 1084 . 11 1 1 A 82 82 VAL HA H 82 3.590 3.485 0.105 1
1 1092 . 11 1 1 A 82 82 VAL C C 82 176.900 177.688 -0.788 1
1 1093 . 11 1 1 A 82 82 VAL CA C 82 66.800 66.713 0.087 1
1 1094 . 11 1 1 A 82 82 VAL CB C 82 31.100 31.455 -0.355 1
1 1097 . 11 1 1 A 82 82 VAL N N 82 120.900 119.219 1.681 1
1 1098 . 11 1 1 A 83 83 ASN H H 83 8.440 8.696 -0.256 1
1 1099 . 11 1 1 A 83 83 ASN HA H 83 4.440 4.356 0.084 1
1 1104 . 11 1 1 A 83 83 ASN C C 83 177.700 178.126 -0.426 1
1 1105 . 11 1 1 A 83 83 ASN CA C 83 56.000 56.715 -0.715 1
1 1106 . 11 1 1 A 83 83 ASN CB C 83 37.000 39.639 -2.639 1
1 1107 . 11 1 1 A 83 83 ASN N N 83 120.500 118.689 1.811 1
1 1109 . 11 1 1 A 84 84 GLN H H 84 7.550 7.432 0.118 1
1 1110 . 11 1 1 A 84 84 GLN HA H 84 4.050 4.095 -0.045 1
1 1117 . 11 1 1 A 84 84 GLN C C 84 179.000 178.713 0.287 1
1 1118 . 11 1 1 A 84 84 GLN CA C 84 58.900 58.602 0.298 1
1 1119 . 11 1 1 A 84 84 GLN CB C 84 28.300 28.183 0.117 1
1 1121 . 11 1 1 A 84 84 GLN N N 84 116.900 119.431 -2.531 1
1 1123 . 11 1 1 A 85 85 LEU H H 85 7.990 8.001 -0.011 1
1 1124 . 11 1 1 A 85 85 LEU HA H 85 4.080 4.099 -0.019 1
1 1134 . 11 1 1 A 85 85 LEU C C 85 180.400 179.178 1.222 1
1 1135 . 11 1 1 A 85 85 LEU CA C 85 58.200 58.106 0.094 1
1 1136 . 11 1 1 A 85 85 LEU CB C 85 41.700 41.746 -0.046 1
1 1140 . 11 1 1 A 85 85 LEU N N 85 121.300 119.456 1.844 1
1 1141 . 11 1 1 A 86 86 ILE H H 86 8.630 8.396 0.234 1
1 1142 . 11 1 1 A 86 86 ILE HA H 86 3.560 3.647 -0.087 1
1 1152 . 11 1 1 A 86 86 ILE C C 86 177.700 178.621 -0.921 1
1 1153 . 11 1 1 A 86 86 ILE CA C 86 66.600 65.339 1.261 1
1 1154 . 11 1 1 A 86 86 ILE CB C 86 37.800 37.298 0.502 1
1 1158 . 11 1 1 A 86 86 ILE N N 86 122.000 119.951 2.049 1
1 1159 . 11 1 1 A 87 87 LEU H H 87 8.200 8.094 0.106 1
1 1160 . 11 1 1 A 87 87 LEU HA H 87 4.010 4.134 -0.124 1
1 1170 . 11 1 1 A 87 87 LEU C C 87 179.000 179.703 -0.703 1
1 1171 . 11 1 1 A 87 87 LEU CA C 87 58.200 58.142 0.058 1
1 1172 . 11 1 1 A 87 87 LEU CB C 87 40.800 41.800 -1.000 1
1 1176 . 11 1 1 A 87 87 LEU N N 87 118.300 118.230 0.070 1
1 1177 . 11 1 1 A 88 88 THR H H 88 8.420 8.433 -0.013 1
1 1178 . 11 1 1 A 88 88 THR HA H 88 4.000 3.910 0.090 1
1 1183 . 11 1 1 A 88 88 THR C C 88 176.300 176.622 -0.322 1
1 1184 . 11 1 1 A 88 88 THR CA C 88 66.500 66.302 0.198 1
1 1185 . 11 1 1 A 88 88 THR CB C 88 69.400 68.397 1.003 1
1 1187 . 11 1 1 A 88 88 THR N N 88 112.700 115.946 -3.246 1
1 1188 . 11 1 1 A 89 89 THR H H 89 7.690 8.122 -0.432 1
1 1189 . 11 1 1 A 89 89 THR HA H 89 4.040 4.054 -0.014 1
1 1194 . 11 1 1 A 89 89 THR C C 89 175.500 176.964 -1.464 1
1 1195 . 11 1 1 A 89 89 THR CA C 89 67.100 66.943 0.157 1
1 1196 . 11 1 1 A 89 89 THR CB C 89 68.500 67.989 0.511 1
1 1198 . 11 1 1 A 89 89 THR N N 89 116.600 116.203 0.397 1
1 1199 . 11 1 1 A 90 90 ILE H H 90 8.330 7.630 0.700 1
1 1200 . 11 1 1 A 90 90 ILE HA H 90 4.420 4.675 -0.255 1
1 1210 . 11 1 1 A 90 90 ILE C C 90 175.700 177.390 -1.690 1
1 1211 . 11 1 1 A 90 90 ILE CA C 90 62.000 63.883 -1.883 1
1 1212 . 11 1 1 A 90 90 ILE CB C 90 38.500 37.635 0.865 1
1 1216 . 11 1 1 A 90 90 ILE N N 90 125.300 116.158 9.142 1
1 1217 . 11 1 1 A 91 91 LYS H H 91 7.450 7.208 0.242 1
1 1218 . 11 1 1 A 91 91 LYS HA H 91 3.970 4.229 -0.259 1
1 1227 . 11 1 1 A 91 91 LYS CA C 91 57.200 57.797 -0.597 1
1 1228 . 11 1 1 A 91 91 LYS CB C 91 32.900 33.097 -0.197 1
1 1 . 12 1 1 A 3 3 ILE H H 3 8.310 8.434 -0.124 1
1 2 . 12 1 1 A 3 3 ILE HA H 3 3.740 4.190 -0.450 1
1 12 . 12 1 1 A 3 3 ILE C C 3 175.200 176.867 -1.667 1
1 13 . 12 1 1 A 3 3 ILE CA C 3 64.200 60.850 3.350 1
1 14 . 12 1 1 A 3 3 ILE CB C 3 37.400 40.654 -3.254 1
1 18 . 12 1 1 A 3 3 ILE N N 3 124.900 128.079 -3.179 1
1 19 . 12 1 1 A 4 4 LEU H H 4 7.270 7.758 -0.488 1
1 20 . 12 1 1 A 4 4 LEU HA H 4 3.680 4.246 -0.566 1
1 30 . 12 1 1 A 4 4 LEU C C 4 177.300 177.450 -0.150 1
1 31 . 12 1 1 A 4 4 LEU CA C 4 56.300 55.233 1.067 1
1 32 . 12 1 1 A 4 4 LEU CB C 4 41.100 41.104 -0.004 1
1 36 . 12 1 1 A 4 4 LEU N N 4 116.100 120.903 -4.803 1
1 37 . 12 1 1 A 5 5 GLU H H 5 7.350 8.066 -0.716 1
1 38 . 12 1 1 A 5 5 GLU HA H 5 4.290 4.365 -0.075 1
1 43 . 12 1 1 A 5 5 GLU C C 5 176.300 175.751 0.549 1
1 44 . 12 1 1 A 5 5 GLU CA C 5 55.200 56.926 -1.726 1
1 45 . 12 1 1 A 5 5 GLU CB C 5 30.000 29.781 0.219 1
1 47 . 12 1 1 A 5 5 GLU N N 5 114.200 117.066 -2.866 1
1 48 . 12 1 1 A 6 6 ASP H H 6 7.860 7.308 0.552 1
1 49 . 12 1 1 A 6 6 ASP HA H 6 4.830 4.987 -0.157 1
1 52 . 12 1 1 A 6 6 ASP C C 6 175.500 175.568 -0.068 1
1 53 . 12 1 1 A 6 6 ASP CA C 6 53.000 50.648 2.352 1
1 54 . 12 1 1 A 6 6 ASP CB C 6 40.800 42.767 -1.967 1
1 55 . 12 1 1 A 6 6 ASP N N 6 125.000 121.976 3.024 1
1 56 . 12 1 1 A 7 7 PRO HA H 7 4.240 4.460 -0.220 1
1 63 . 12 1 1 A 7 7 PRO C C 7 179.000 178.372 0.628 1
1 64 . 12 1 1 A 7 7 PRO CA C 7 65.700 64.739 0.961 1
1 65 . 12 1 1 A 7 7 PRO CB C 7 32.300 32.100 0.200 1
1 68 . 12 1 1 A 8 8 GLU H H 8 9.250 8.460 0.790 1
1 69 . 12 1 1 A 8 8 GLU HA H 8 4.120 4.142 -0.022 1
1 74 . 12 1 1 A 8 8 GLU C C 8 178.100 179.042 -0.942 1
1 75 . 12 1 1 A 8 8 GLU CA C 8 60.000 59.292 0.708 1
1 76 . 12 1 1 A 8 8 GLU CB C 8 29.200 29.221 -0.021 1
1 78 . 12 1 1 A 8 8 GLU N N 8 117.600 118.272 -0.672 1
1 79 . 12 1 1 A 9 9 PHE H H 9 7.640 8.510 -0.870 1
1 80 . 12 1 1 A 9 9 PHE HA H 9 4.130 3.990 0.140 1
1 87 . 12 1 1 A 9 9 PHE C C 9 178.600 177.883 0.717 1
1 88 . 12 1 1 A 9 9 PHE CA C 9 62.200 61.214 0.986 1
1 89 . 12 1 1 A 9 9 PHE CB C 9 40.400 39.185 1.215 1
1 94 . 12 1 1 A 9 9 PHE N N 9 118.200 121.937 -3.737 1
1 95 . 12 1 1 A 10 10 VAL H H 10 8.220 8.221 -0.001 1
1 96 . 12 1 1 A 10 10 VAL HA H 10 3.590 3.782 -0.192 1
1 104 . 12 1 1 A 10 10 VAL C C 10 179.400 177.797 1.603 1
1 105 . 12 1 1 A 10 10 VAL CA C 10 66.800 64.422 2.378 1
1 106 . 12 1 1 A 10 10 VAL CB C 10 31.700 31.413 0.287 1
1 109 . 12 1 1 A 10 10 VAL N N 10 120.300 118.830 1.470 1
1 110 . 12 1 1 A 11 11 LYS H H 11 7.760 7.669 0.091 1
1 111 . 12 1 1 A 11 11 LYS HA H 11 4.050 3.939 0.111 1
1 120 . 12 1 1 A 11 11 LYS C C 11 179.000 179.481 -0.481 1
1 121 . 12 1 1 A 11 11 LYS CA C 11 59.300 59.968 -0.668 1
1 122 . 12 1 1 A 11 11 LYS CB C 11 32.600 32.247 0.353 1
1 126 . 12 1 1 A 11 11 LYS N N 11 119.600 122.753 -3.153 1
1 127 . 12 1 1 A 12 12 LEU H H 12 7.750 8.131 -0.381 1
1 128 . 12 1 1 A 12 12 LEU HA H 12 4.190 4.024 0.166 1
1 138 . 12 1 1 A 12 12 LEU C C 12 178.400 179.285 -0.885 1
1 139 . 12 1 1 A 12 12 LEU CA C 12 57.800 58.001 -0.201 1
1 140 . 12 1 1 A 12 12 LEU CB C 12 41.900 41.165 0.735 1
1 144 . 12 1 1 A 12 12 LEU N N 12 119.900 120.231 -0.331 1
1 145 . 12 1 1 A 13 13 ARG H H 13 7.600 7.919 -0.319 1
1 146 . 12 1 1 A 13 13 ARG HA H 13 3.940 3.978 -0.038 1
1 153 . 12 1 1 A 13 13 ARG C C 13 178.600 178.677 -0.077 1
1 154 . 12 1 1 A 13 13 ARG CA C 13 59.000 59.346 -0.346 1
1 155 . 12 1 1 A 13 13 ARG CB C 13 30.200 29.534 0.666 1
1 158 . 12 1 1 A 13 13 ARG N N 13 115.300 119.025 -3.725 1
1 159 . 12 1 1 A 14 14 GLN H H 14 7.770 7.760 0.010 1
1 160 . 12 1 1 A 14 14 GLN HA H 14 4.130 4.202 -0.072 1
1 167 . 12 1 1 A 14 14 GLN C C 14 176.500 178.299 -1.799 1
1 168 . 12 1 1 A 14 14 GLN CA C 14 57.100 57.967 -0.867 1
1 169 . 12 1 1 A 14 14 GLN CB C 14 28.200 28.453 -0.253 1
1 171 . 12 1 1 A 14 14 GLN N N 14 116.400 118.669 -2.269 1
1 173 . 12 1 1 A 15 15 PHE H H 15 8.030 8.078 -0.048 1
1 174 . 12 1 1 A 15 15 PHE HA H 15 4.220 4.093 0.127 1
1 181 . 12 1 1 A 15 15 PHE C C 15 175.200 175.297 -0.097 1
1 182 . 12 1 1 A 15 15 PHE CA C 15 59.100 61.392 -2.292 1
1 183 . 12 1 1 A 15 15 PHE CB C 15 38.800 39.403 -0.603 1
1 188 . 12 1 1 A 15 15 PHE N N 15 116.800 122.934 -6.134 1
1 189 . 12 1 1 A 16 16 LYS H H 16 7.470 7.912 -0.442 1
1 190 . 12 1 1 A 16 16 LYS HA H 16 4.190 4.315 -0.125 1
1 191 . 12 1 1 A 16 16 LYS CA C 16 58.400 58.459 -0.059 1
1 192 . 12 1 1 A 16 16 LYS CB C 16 33.300 31.203 2.097 1
1 193 . 12 1 1 A 16 16 LYS N N 16 122.500 117.832 4.668 1
1 194 . 12 1 1 A 17 17 GLY HA2 H 17 3.920 3.788 0.132 1
1 195 . 12 1 1 A 17 17 GLY HA3 H 17 4.210 3.846 0.364 1
1 196 . 12 1 1 A 17 17 GLY C C 17 174.300 174.732 -0.432 1
1 197 . 12 1 1 A 17 17 GLY CA C 17 46.200 47.225 -1.025 1
1 198 . 12 1 1 A 18 18 LYS H H 18 8.230 8.028 0.202 1
1 199 . 12 1 1 A 18 18 LYS HA H 18 4.550 4.224 0.326 1
1 208 . 12 1 1 A 18 18 LYS C C 18 175.800 176.526 -0.726 1
1 209 . 12 1 1 A 18 18 LYS CA C 18 56.100 56.736 -0.636 1
1 210 . 12 1 1 A 18 18 LYS CB C 18 33.700 32.596 1.104 1
1 214 . 12 1 1 A 18 18 LYS N N 18 118.100 119.981 -1.881 1
1 215 . 12 1 1 A 19 19 VAL H H 19 7.150 7.229 -0.079 1
1 216 . 12 1 1 A 19 19 VAL HA H 19 4.400 4.334 0.066 1
1 224 . 12 1 1 A 19 19 VAL CA C 19 58.800 60.519 -1.719 1
1 225 . 12 1 1 A 19 19 VAL CB C 19 34.300 33.253 1.047 1
1 228 . 12 1 1 A 19 19 VAL N N 19 111.100 114.751 -3.651 1
1 229 . 12 1 1 A 20 20 ASN HA H 20 4.660 4.957 -0.297 1
1 234 . 12 1 1 A 20 20 ASN C C 20 174.600 175.580 -0.980 1
1 235 . 12 1 1 A 20 20 ASN CA C 20 52.700 52.341 0.359 1
1 236 . 12 1 1 A 20 20 ASN CB C 20 37.900 38.913 -1.013 1
1 238 . 12 1 1 A 21 21 PHE H H 21 8.580 9.030 -0.450 1
1 239 . 12 1 1 A 21 21 PHE HA H 21 3.730 4.002 -0.272 1
1 247 . 12 1 1 A 21 21 PHE C C 21 175.300 177.013 -1.713 1
1 248 . 12 1 1 A 21 21 PHE CA C 21 62.500 62.415 0.085 1
1 249 . 12 1 1 A 21 21 PHE CB C 21 40.400 39.571 0.829 1
1 255 . 12 1 1 A 21 21 PHE N N 21 128.200 127.474 0.726 1
1 256 . 12 1 1 A 22 22 ASN H H 22 8.220 8.136 0.084 1
1 257 . 12 1 1 A 22 22 ASN HA H 22 4.300 4.599 -0.299 1
1 262 . 12 1 1 A 22 22 ASN C C 22 177.800 177.965 -0.165 1
1 263 . 12 1 1 A 22 22 ASN CA C 22 56.400 56.535 -0.135 1
1 264 . 12 1 1 A 22 22 ASN CB C 22 37.900 38.327 -0.427 1
1 265 . 12 1 1 A 22 22 ASN N N 22 114.600 118.285 -3.685 1
1 267 . 12 1 1 A 23 23 LEU H H 23 7.440 7.527 -0.087 1
1 268 . 12 1 1 A 23 23 LEU HA H 23 4.190 4.071 0.119 1
1 278 . 12 1 1 A 23 23 LEU C C 23 177.800 178.673 -0.873 1
1 279 . 12 1 1 A 23 23 LEU CA C 23 56.900 57.721 -0.821 1
1 280 . 12 1 1 A 23 23 LEU CB C 23 41.400 41.929 -0.529 1
1 284 . 12 1 1 A 23 23 LEU N N 23 122.500 120.792 1.708 1
1 285 . 12 1 1 A 24 24 VAL H H 24 7.930 8.379 -0.449 1
1 286 . 12 1 1 A 24 24 VAL HA H 24 3.560 3.533 0.027 1
1 294 . 12 1 1 A 24 24 VAL C C 24 177.500 177.728 -0.228 1
1 295 . 12 1 1 A 24 24 VAL CA C 24 67.200 67.030 0.170 1
1 296 . 12 1 1 A 24 24 VAL CB C 24 31.000 31.375 -0.375 1
1 299 . 12 1 1 A 24 24 VAL N N 24 119.400 118.989 0.411 1
1 300 . 12 1 1 A 25 25 MET H H 25 8.020 8.285 -0.265 1
1 301 . 12 1 1 A 25 25 MET HA H 25 3.640 3.941 -0.301 1
1 309 . 12 1 1 A 25 25 MET C C 25 176.800 178.052 -1.252 1
1 310 . 12 1 1 A 25 25 MET CA C 25 60.000 58.334 1.666 1
1 311 . 12 1 1 A 25 25 MET CB C 25 32.900 31.327 1.573 1
1 314 . 12 1 1 A 25 25 MET N N 25 116.600 118.293 -1.693 1
1 315 . 12 1 1 A 26 26 GLN H H 26 7.530 7.901 -0.371 1
1 316 . 12 1 1 A 26 26 GLN HA H 26 4.050 4.098 -0.048 1
1 323 . 12 1 1 A 26 26 GLN C C 26 177.800 178.508 -0.708 1
1 324 . 12 1 1 A 26 26 GLN CA C 26 59.100 58.726 0.374 1
1 325 . 12 1 1 A 26 26 GLN CB C 26 28.100 28.194 -0.094 1
1 327 . 12 1 1 A 26 26 GLN N N 26 118.200 118.556 -0.356 1
1 329 . 12 1 1 A 27 27 ILE H H 27 8.230 8.509 -0.279 1
1 330 . 12 1 1 A 27 27 ILE HA H 27 3.350 3.476 -0.126 1
1 340 . 12 1 1 A 27 27 ILE C C 27 177.700 178.363 -0.663 1
1 341 . 12 1 1 A 27 27 ILE CA C 27 65.900 65.855 0.045 1
1 342 . 12 1 1 A 27 27 ILE CB C 27 37.900 38.187 -0.287 1
1 346 . 12 1 1 A 27 27 ILE N N 27 120.700 120.822 -0.122 1
1 347 . 12 1 1 A 28 28 LEU H H 28 8.550 8.549 0.001 1
1 348 . 12 1 1 A 28 28 LEU HA H 28 4.020 3.931 0.089 1
1 358 . 12 1 1 A 28 28 LEU C C 28 179.900 179.386 0.514 1
1 359 . 12 1 1 A 28 28 LEU CA C 28 58.400 58.182 0.218 1
1 360 . 12 1 1 A 28 28 LEU CB C 28 39.700 40.784 -1.084 1
1 364 . 12 1 1 A 28 28 LEU N N 28 118.900 118.437 0.463 1
1 365 . 12 1 1 A 29 29 ASP H H 29 8.470 8.369 0.101 1
1 366 . 12 1 1 A 29 29 ASP HA H 29 4.440 4.257 0.183 1
1 369 . 12 1 1 A 29 29 ASP C C 29 179.600 178.430 1.170 1
1 370 . 12 1 1 A 29 29 ASP CA C 29 57.400 57.718 -0.318 1
1 371 . 12 1 1 A 29 29 ASP CB C 29 40.400 41.359 -0.959 1
1 372 . 12 1 1 A 29 29 ASP N N 29 120.700 119.560 1.140 1
1 373 . 12 1 1 A 30 30 GLU H H 30 8.630 8.652 -0.022 1
1 374 . 12 1 1 A 30 30 GLU HA H 30 3.980 4.081 -0.101 1
1 379 . 12 1 1 A 30 30 GLU C C 30 180.600 178.767 1.833 1
1 380 . 12 1 1 A 30 30 GLU CA C 30 60.000 59.146 0.854 1
1 381 . 12 1 1 A 30 30 GLU CB C 30 29.900 29.551 0.349 1
1 383 . 12 1 1 A 30 30 GLU N N 30 120.800 119.004 1.796 1
1 384 . 12 1 1 A 31 31 ILE H H 31 8.520 7.845 0.675 1
1 385 . 12 1 1 A 31 31 ILE HA H 31 3.540 3.857 -0.317 1
1 395 . 12 1 1 A 31 31 ILE C C 31 176.400 178.017 -1.617 1
1 396 . 12 1 1 A 31 31 ILE CA C 31 66.600 63.899 2.701 1
1 397 . 12 1 1 A 31 31 ILE CB C 31 37.800 37.465 0.335 1
1 401 . 12 1 1 A 31 31 ILE N N 31 123.100 119.925 3.175 1
1 402 . 12 1 1 A 32 32 GLU H H 32 8.070 8.327 -0.257 1
1 403 . 12 1 1 A 32 32 GLU HA H 32 3.730 4.011 -0.281 1
1 408 . 12 1 1 A 32 32 GLU C C 32 178.400 178.690 -0.290 1
1 409 . 12 1 1 A 32 32 GLU CA C 32 60.800 59.279 1.521 1
1 410 . 12 1 1 A 32 32 GLU CB C 32 28.800 29.510 -0.710 1
1 412 . 12 1 1 A 32 32 GLU N N 32 120.300 121.497 -1.197 1
1 413 . 12 1 1 A 33 33 LEU H H 33 8.160 8.223 -0.063 1
1 414 . 12 1 1 A 33 33 LEU HA H 33 3.980 3.977 0.003 1
1 424 . 12 1 1 A 33 33 LEU C C 33 180.100 178.354 1.746 1
1 425 . 12 1 1 A 33 33 LEU CA C 33 58.000 58.190 -0.190 1
1 426 . 12 1 1 A 33 33 LEU CB C 33 42.100 41.699 0.401 1
1 430 . 12 1 1 A 33 33 LEU N N 33 117.900 119.482 -1.582 1
1 431 . 12 1 1 A 34 34 ASP H H 34 8.200 8.003 0.197 1
1 432 . 12 1 1 A 34 34 ASP HA H 34 4.290 4.407 -0.117 1
1 435 . 12 1 1 A 34 34 ASP C C 34 178.600 178.510 0.090 1
1 436 . 12 1 1 A 34 34 ASP CA C 34 58.200 57.697 0.503 1
1 437 . 12 1 1 A 34 34 ASP CB C 34 42.800 41.228 1.572 1
1 438 . 12 1 1 A 34 34 ASP N N 34 120.500 119.433 1.067 1
1 439 . 12 1 1 A 35 35 LEU H H 35 8.630 8.385 0.245 1
1 440 . 12 1 1 A 35 35 LEU HA H 35 4.360 4.051 0.309 1
1 450 . 12 1 1 A 35 35 LEU C C 35 179.000 178.623 0.377 1
1 451 . 12 1 1 A 35 35 LEU CA C 35 56.400 57.402 -1.002 1
1 452 . 12 1 1 A 35 35 LEU CB C 35 42.800 40.942 1.858 1
1 456 . 12 1 1 A 35 35 LEU N N 35 121.300 120.640 0.660 1
1 457 . 12 1 1 A 36 36 ARG H H 36 7.410 8.100 -0.690 1
1 458 . 12 1 1 A 36 36 ARG HA H 36 4.050 4.184 -0.134 1
1 465 . 12 1 1 A 36 36 ARG C C 36 177.800 177.661 0.139 1
1 466 . 12 1 1 A 36 36 ARG CA C 36 59.000 58.459 0.541 1
1 467 . 12 1 1 A 36 36 ARG CB C 36 30.000 30.084 -0.084 1
1 470 . 12 1 1 A 36 36 ARG N N 36 117.000 118.394 -1.394 1
1 471 . 12 1 1 A 37 37 GLY H H 37 7.580 7.846 -0.266 1
1 472 . 12 1 1 A 37 37 GLY HA2 H 37 3.830 4.103 -0.273 1
1 473 . 12 1 1 A 37 37 GLY HA3 H 37 4.280 4.106 0.174 1
1 474 . 12 1 1 A 37 37 GLY C C 37 174.800 173.577 1.223 1
1 475 . 12 1 1 A 37 37 GLY CA C 37 45.200 45.607 -0.407 1
1 476 . 12 1 1 A 37 37 GLY N N 37 103.600 107.844 -4.244 1
1 477 . 12 1 1 A 38 38 SER H H 38 8.380 7.549 0.831 1
1 478 . 12 1 1 A 38 38 SER HA H 38 4.330 4.667 -0.337 1
1 481 . 12 1 1 A 38 38 SER C C 38 175.100 173.067 2.033 1
1 482 . 12 1 1 A 38 38 SER CA C 38 58.700 56.914 1.786 1
1 483 . 12 1 1 A 38 38 SER CB C 38 63.800 64.440 -0.640 1
1 484 . 12 1 1 A 38 38 SER N N 38 117.800 113.568 4.232 1
1 485 . 12 1 1 A 39 39 ASP H H 39 8.520 8.713 -0.193 1
1 486 . 12 1 1 A 39 39 ASP HA H 39 4.470 4.882 -0.412 1
1 489 . 12 1 1 A 39 39 ASP C C 39 175.300 176.178 -0.878 1
1 490 . 12 1 1 A 39 39 ASP CA C 39 55.400 53.883 1.517 1
1 491 . 12 1 1 A 39 39 ASP CB C 39 41.500 43.104 -1.604 1
1 492 . 12 1 1 A 39 39 ASP N N 39 120.500 123.008 -2.508 1
1 493 . 12 1 1 A 40 40 ASN H H 40 8.230 7.312 0.918 1
1 494 . 12 1 1 A 40 40 ASN HA H 40 4.800 5.021 -0.221 1
1 499 . 12 1 1 A 40 40 ASN C C 40 174.600 175.053 -0.453 1
1 500 . 12 1 1 A 40 40 ASN CA C 40 52.900 52.173 0.727 1
1 501 . 12 1 1 A 40 40 ASN CB C 40 39.500 36.370 3.130 1
1 502 . 12 1 1 A 40 40 ASN N N 40 116.100 117.323 -1.223 1
1 504 . 12 1 1 A 41 41 ILE H H 41 8.340 7.813 0.527 1
1 505 . 12 1 1 A 41 41 ILE HA H 41 3.840 3.784 0.056 1
1 515 . 12 1 1 A 41 41 ILE C C 41 175.000 177.114 -2.114 1
1 516 . 12 1 1 A 41 41 ILE CA C 41 62.500 62.730 -0.230 1
1 517 . 12 1 1 A 41 41 ILE CB C 41 37.600 37.875 -0.275 1
1 521 . 12 1 1 A 41 41 ILE N N 41 124.800 121.566 3.234 1
1 522 . 12 1 1 A 42 42 LYS H H 42 7.790 8.383 -0.593 1
1 523 . 12 1 1 A 42 42 LYS HA H 42 3.780 3.946 -0.166 1
1 532 . 12 1 1 A 42 42 LYS C C 42 178.300 178.499 -0.199 1
1 533 . 12 1 1 A 42 42 LYS CA C 42 60.200 58.773 1.427 1
1 534 . 12 1 1 A 42 42 LYS CB C 42 31.800 31.499 0.301 1
1 538 . 12 1 1 A 42 42 LYS N N 42 122.100 120.105 1.995 1
1 539 . 12 1 1 A 43 43 THR H H 43 7.500 7.928 -0.428 1
1 540 . 12 1 1 A 43 43 THR HA H 43 3.790 3.613 0.177 1
1 545 . 12 1 1 A 43 43 THR C C 43 177.100 175.783 1.317 1
1 546 . 12 1 1 A 43 43 THR CA C 43 65.900 66.096 -0.196 1
1 547 . 12 1 1 A 43 43 THR CB C 43 68.400 68.230 0.170 1
1 549 . 12 1 1 A 43 43 THR N N 43 112.900 117.273 -4.373 1
1 550 . 12 1 1 A 44 44 SER H H 44 7.860 7.739 0.121 1
1 551 . 12 1 1 A 44 44 SER HA H 44 4.570 3.869 0.701 1
1 554 . 12 1 1 A 44 44 SER C C 44 175.100 175.740 -0.640 1
1 555 . 12 1 1 A 44 44 SER CA C 44 63.600 62.081 1.519 1
1 556 . 12 1 1 A 44 44 SER CB C 44 63.900 63.077 0.823 1
1 557 . 12 1 1 A 44 44 SER N N 44 119.700 117.476 2.224 1
1 558 . 12 1 1 A 45 45 ILE H H 45 8.240 7.968 0.272 1
1 559 . 12 1 1 A 45 45 ILE HA H 45 3.140 3.453 -0.313 1
1 569 . 12 1 1 A 45 45 ILE C C 45 176.500 178.002 -1.502 1
1 570 . 12 1 1 A 45 45 ILE CA C 45 66.200 64.740 1.460 1
1 571 . 12 1 1 A 45 45 ILE CB C 45 37.800 37.501 0.299 1
1 575 . 12 1 1 A 45 45 ILE N N 45 121.300 120.621 0.679 1
1 576 . 12 1 1 A 46 46 ILE H H 46 7.680 7.977 -0.297 1
1 577 . 12 1 1 A 46 46 ILE HA H 46 3.480 3.474 0.006 1
1 587 . 12 1 1 A 46 46 ILE C C 46 178.900 177.662 1.238 1
1 588 . 12 1 1 A 46 46 ILE CA C 46 65.300 65.183 0.117 1
1 589 . 12 1 1 A 46 46 ILE CB C 46 37.800 37.714 0.086 1
1 593 . 12 1 1 A 46 46 ILE N N 46 117.100 119.676 -2.576 1
1 594 . 12 1 1 A 47 47 TYR H H 47 8.400 7.819 0.581 1
1 595 . 12 1 1 A 47 47 TYR HA H 47 4.190 4.410 -0.220 1
1 602 . 12 1 1 A 47 47 TYR C C 47 178.700 178.530 0.170 1
1 603 . 12 1 1 A 47 47 TYR CA C 47 61.300 60.780 0.520 1
1 604 . 12 1 1 A 47 47 TYR CB C 47 38.400 37.753 0.647 1
1 609 . 12 1 1 A 47 47 TYR N N 47 120.900 119.942 0.958 1
1 610 . 12 1 1 A 48 48 VAL H H 48 8.480 7.963 0.517 1
1 611 . 12 1 1 A 48 48 VAL HA H 48 3.560 4.001 -0.441 1
1 619 . 12 1 1 A 48 48 VAL C C 48 179.600 178.056 1.544 1
1 620 . 12 1 1 A 48 48 VAL CA C 48 67.000 66.138 0.862 1
1 621 . 12 1 1 A 48 48 VAL CB C 48 31.700 31.821 -0.121 1
1 624 . 12 1 1 A 48 48 VAL N N 48 121.600 119.746 1.854 1
1 625 . 12 1 1 A 49 49 TYR H H 49 9.630 8.856 0.774 1
1 626 . 12 1 1 A 49 49 TYR HA H 49 4.080 4.290 -0.210 1
1 633 . 12 1 1 A 49 49 TYR C C 49 179.300 179.179 0.121 1
1 634 . 12 1 1 A 49 49 TYR CA C 49 59.900 60.606 -0.706 1
1 635 . 12 1 1 A 49 49 TYR CB C 49 35.300 37.749 -2.449 1
1 640 . 12 1 1 A 49 49 TYR N N 49 122.000 119.383 2.617 1
1 641 . 12 1 1 A 50 50 SER H H 50 8.120 8.549 -0.429 1
1 642 . 12 1 1 A 50 50 SER HA H 50 4.130 4.319 -0.189 1
1 645 . 12 1 1 A 50 50 SER C C 50 175.700 176.209 -0.509 1
1 646 . 12 1 1 A 50 50 SER CA C 50 62.000 61.030 0.970 1
1 647 . 12 1 1 A 50 50 SER CB C 50 62.900 62.753 0.147 1
1 648 . 12 1 1 A 50 50 SER N N 50 112.600 116.372 -3.772 1
1 649 . 12 1 1 A 51 51 SER H H 51 7.510 7.612 -0.102 1
1 650 . 12 1 1 A 51 51 SER HA H 51 4.350 4.335 0.015 1
1 653 . 12 1 1 A 51 51 SER C C 51 173.600 175.008 -1.408 1
1 654 . 12 1 1 A 51 51 SER CA C 51 59.500 60.460 -0.960 1
1 655 . 12 1 1 A 51 51 SER CB C 51 63.300 63.528 -0.228 1
1 656 . 12 1 1 A 51 51 SER N N 51 116.800 115.922 0.878 1
1 657 . 12 1 1 A 52 52 HIS H H 52 7.590 7.899 -0.309 1
1 658 . 12 1 1 A 52 52 HIS HA H 52 4.890 4.987 -0.097 1
1 663 . 12 1 1 A 52 52 HIS C C 52 175.200 175.514 -0.314 1
1 664 . 12 1 1 A 52 52 HIS CA C 52 54.100 54.944 -0.844 1
1 665 . 12 1 1 A 52 52 HIS CB C 52 29.500 29.438 0.062 1
1 668 . 12 1 1 A 52 52 HIS N N 52 120.500 116.976 3.524 1
1 669 . 12 1 1 A 53 53 LEU H H 53 7.440 7.783 -0.343 1
1 670 . 12 1 1 A 53 53 LEU HA H 53 3.870 3.727 0.143 1
1 680 . 12 1 1 A 53 53 LEU C C 53 177.900 178.567 -0.667 1
1 681 . 12 1 1 A 53 53 LEU CA C 53 59.100 58.295 0.805 1
1 682 . 12 1 1 A 53 53 LEU CB C 53 42.300 41.065 1.235 1
1 686 . 12 1 1 A 53 53 LEU N N 53 121.400 120.923 0.477 1
1 687 . 12 1 1 A 54 54 ASP H H 54 8.400 8.180 0.220 1
1 688 . 12 1 1 A 54 54 ASP HA H 54 4.290 4.207 0.083 1
1 691 . 12 1 1 A 54 54 ASP C C 54 177.900 178.732 -0.832 1
1 692 . 12 1 1 A 54 54 ASP CA C 54 57.600 57.977 -0.377 1
1 693 . 12 1 1 A 54 54 ASP CB C 54 40.200 42.089 -1.889 1
1 694 . 12 1 1 A 54 54 ASP N N 54 115.900 119.189 -3.289 1
1 695 . 12 1 1 A 55 55 GLU H H 55 7.500 7.739 -0.239 1
1 696 . 12 1 1 A 55 55 GLU HA H 55 4.310 4.096 0.214 1
1 701 . 12 1 1 A 55 55 GLU C C 55 178.300 179.112 -0.812 1
1 702 . 12 1 1 A 55 55 GLU CA C 55 57.800 58.832 -1.032 1
1 703 . 12 1 1 A 55 55 GLU CB C 55 29.100 29.431 -0.331 1
1 705 . 12 1 1 A 55 55 GLU N N 55 120.100 118.754 1.346 1
1 706 . 12 1 1 A 56 56 ILE H H 56 7.720 7.758 -0.038 1
1 707 . 12 1 1 A 56 56 ILE HA H 56 3.440 3.084 0.356 1
1 717 . 12 1 1 A 56 56 ILE C C 56 178.600 178.432 0.168 1
1 718 . 12 1 1 A 56 56 ILE CA C 56 62.500 65.092 -2.592 1
1 719 . 12 1 1 A 56 56 ILE CB C 56 36.200 37.510 -1.310 1
1 723 . 12 1 1 A 56 56 ILE N N 56 119.600 119.832 -0.232 1
1 724 . 12 1 1 A 57 57 ARG H H 57 8.200 8.591 -0.391 1
1 725 . 12 1 1 A 57 57 ARG HA H 57 3.930 4.112 -0.182 1
1 732 . 12 1 1 A 57 57 ARG C C 57 178.800 178.685 0.115 1
1 733 . 12 1 1 A 57 57 ARG CA C 57 59.000 58.135 0.865 1
1 734 . 12 1 1 A 57 57 ARG CB C 57 30.100 29.349 0.751 1
1 737 . 12 1 1 A 57 57 ARG N N 57 115.500 120.656 -5.156 1
1 738 . 12 1 1 A 58 58 LYS H H 58 7.400 7.415 -0.015 1
1 739 . 12 1 1 A 58 58 LYS HA H 58 4.210 4.134 0.076 1
1 748 . 12 1 1 A 58 58 LYS C C 58 176.800 177.383 -0.583 1
1 749 . 12 1 1 A 58 58 LYS CA C 58 58.100 59.226 -1.126 1
1 750 . 12 1 1 A 58 58 LYS CB C 58 33.100 33.410 -0.310 1
1 754 . 12 1 1 A 58 58 LYS N N 58 117.400 120.391 -2.991 1
1 755 . 12 1 1 A 59 59 ASN H H 59 7.630 7.785 -0.155 1
1 756 . 12 1 1 A 59 59 ASN HA H 59 5.310 5.468 -0.158 1
1 761 . 12 1 1 A 59 59 ASN C C 59 174.900 175.746 -0.846 1
1 762 . 12 1 1 A 59 59 ASN CA C 59 52.100 52.681 -0.581 1
1 763 . 12 1 1 A 59 59 ASN CB C 59 40.200 39.432 0.768 1
1 764 . 12 1 1 A 59 59 ASN N N 59 119.200 115.608 3.592 1
1 766 . 12 1 1 A 60 60 LYS H H 60 7.460 8.219 -0.759 1
1 767 . 12 1 1 A 60 60 LYS HA H 60 4.070 4.444 -0.374 1
1 776 . 12 1 1 A 60 60 LYS C C 60 177.900 178.036 -0.136 1
1 777 . 12 1 1 A 60 60 LYS CA C 60 61.100 59.517 1.583 1
1 778 . 12 1 1 A 60 60 LYS CB C 60 33.300 31.894 1.406 1
1 782 . 12 1 1 A 60 60 LYS N N 60 122.700 119.375 3.325 1
1 783 . 12 1 1 A 61 61 GLU H H 61 8.660 8.000 0.660 1
1 784 . 12 1 1 A 61 61 GLU HA H 61 4.080 4.005 0.075 1
1 789 . 12 1 1 A 61 61 GLU C C 61 178.900 178.823 0.077 1
1 790 . 12 1 1 A 61 61 GLU CA C 61 60.100 59.052 1.048 1
1 791 . 12 1 1 A 61 61 GLU CB C 61 29.100 29.410 -0.310 1
1 793 . 12 1 1 A 61 61 GLU N N 61 117.300 119.730 -2.430 1
1 794 . 12 1 1 A 62 62 PHE H H 62 7.670 7.302 0.368 1
1 795 . 12 1 1 A 62 62 PHE HA H 62 3.420 3.782 -0.362 1
1 803 . 12 1 1 A 62 62 PHE C C 62 176.200 176.691 -0.491 1
1 804 . 12 1 1 A 62 62 PHE CA C 62 60.900 60.921 -0.021 1
1 805 . 12 1 1 A 62 62 PHE CB C 62 38.300 38.221 0.079 1
1 811 . 12 1 1 A 62 62 PHE N N 62 119.300 120.692 -1.392 1
1 812 . 12 1 1 A 63 63 TYR H H 63 7.850 8.092 -0.242 1
1 813 . 12 1 1 A 63 63 TYR HA H 63 3.870 4.135 -0.265 1
1 820 . 12 1 1 A 63 63 TYR C C 63 180.200 177.699 2.501 1
1 821 . 12 1 1 A 63 63 TYR CA C 63 63.500 61.467 2.033 1
1 822 . 12 1 1 A 63 63 TYR CB C 63 37.100 37.261 -0.161 1
1 827 . 12 1 1 A 63 63 TYR N N 63 116.500 117.502 -1.002 1
1 828 . 12 1 1 A 64 64 ASP H H 64 9.110 8.298 0.812 1
1 829 . 12 1 1 A 64 64 ASP HA H 64 4.650 4.499 0.151 1
1 832 . 12 1 1 A 64 64 ASP C C 64 178.700 178.788 -0.088 1
1 833 . 12 1 1 A 64 64 ASP CA C 64 57.600 57.269 0.331 1
1 834 . 12 1 1 A 64 64 ASP CB C 64 39.800 40.948 -1.148 1
1 835 . 12 1 1 A 64 64 ASP N N 64 126.100 121.353 4.747 1
1 836 . 12 1 1 A 65 65 MET H H 65 7.600 8.202 -0.602 1
1 837 . 12 1 1 A 65 65 MET HA H 65 4.140 4.174 -0.034 1
1 845 . 12 1 1 A 65 65 MET C C 65 178.800 177.897 0.903 1
1 846 . 12 1 1 A 65 65 MET CA C 65 59.300 58.685 0.615 1
1 847 . 12 1 1 A 65 65 MET CB C 65 32.800 32.442 0.358 1
1 850 . 12 1 1 A 65 65 MET N N 65 121.100 117.693 3.407 1
1 851 . 12 1 1 A 66 66 ILE H H 66 7.910 7.895 0.015 1
1 852 . 12 1 1 A 66 66 ILE HA H 66 3.430 3.720 -0.290 1
1 862 . 12 1 1 A 66 66 ILE C C 66 177.000 177.893 -0.893 1
1 863 . 12 1 1 A 66 66 ILE CA C 66 64.500 64.057 0.443 1
1 864 . 12 1 1 A 66 66 ILE CB C 66 36.700 37.271 -0.571 1
1 868 . 12 1 1 A 66 66 ILE N N 66 116.900 116.257 0.643 1
1 869 . 12 1 1 A 67 67 ALA H H 67 7.660 8.104 -0.444 1
1 870 . 12 1 1 A 67 67 ALA HA H 67 3.940 3.931 0.009 1
1 874 . 12 1 1 A 67 67 ALA C C 67 180.200 179.140 1.060 1
1 875 . 12 1 1 A 67 67 ALA CA C 67 55.600 55.849 -0.249 1
1 876 . 12 1 1 A 67 67 ALA CB C 67 18.000 18.479 -0.479 1
1 877 . 12 1 1 A 67 67 ALA N N 67 120.700 123.086 -2.386 1
1 878 . 12 1 1 A 68 68 GLU H H 68 7.660 8.021 -0.361 1
1 879 . 12 1 1 A 68 68 GLU HA H 68 4.040 4.004 0.036 1
1 884 . 12 1 1 A 68 68 GLU C C 68 179.000 178.984 0.016 1
1 885 . 12 1 1 A 68 68 GLU CA C 68 59.300 59.576 -0.276 1
1 886 . 12 1 1 A 68 68 GLU CB C 68 29.500 29.683 -0.183 1
1 888 . 12 1 1 A 68 68 GLU N N 68 118.700 118.467 0.233 1
1 889 . 12 1 1 A 69 69 ILE H H 69 8.240 8.151 0.089 1
1 890 . 12 1 1 A 69 69 ILE HA H 69 3.630 3.820 -0.190 1
1 900 . 12 1 1 A 69 69 ILE C C 69 178.200 178.483 -0.283 1
1 901 . 12 1 1 A 69 69 ILE CA C 69 65.700 65.519 0.181 1
1 902 . 12 1 1 A 69 69 ILE CB C 69 38.100 37.622 0.478 1
1 906 . 12 1 1 A 69 69 ILE N N 69 120.700 119.278 1.422 1
1 907 . 12 1 1 A 70 70 LEU H H 70 8.770 8.907 -0.137 1
1 908 . 12 1 1 A 70 70 LEU HA H 70 3.960 3.877 0.083 1
1 918 . 12 1 1 A 70 70 LEU C C 70 179.300 179.429 -0.129 1
1 919 . 12 1 1 A 70 70 LEU CA C 70 59.100 58.350 0.750 1
1 920 . 12 1 1 A 70 70 LEU CB C 70 43.000 41.684 1.316 1
1 924 . 12 1 1 A 70 70 LEU N N 70 119.100 120.335 -1.235 1
1 925 . 12 1 1 A 71 71 GLN H H 71 7.660 7.694 -0.034 1
1 926 . 12 1 1 A 71 71 GLN HA H 71 3.960 4.099 -0.139 1
1 933 . 12 1 1 A 71 71 GLN C C 71 177.700 178.834 -1.134 1
1 934 . 12 1 1 A 71 71 GLN CA C 71 59.800 59.077 0.723 1
1 935 . 12 1 1 A 71 71 GLN CB C 71 30.000 28.479 1.521 1
1 937 . 12 1 1 A 71 71 GLN N N 71 114.200 117.868 -3.668 1
1 939 . 12 1 1 A 72 72 ARG H H 72 8.180 8.014 0.166 1
1 940 . 12 1 1 A 72 72 ARG HA H 72 4.000 3.933 0.067 1
1 947 . 12 1 1 A 72 72 ARG C C 72 178.900 177.896 1.004 1
1 948 . 12 1 1 A 72 72 ARG CA C 72 58.900 59.058 -0.158 1
1 949 . 12 1 1 A 72 72 ARG CB C 72 31.100 29.838 1.262 1
1 952 . 12 1 1 A 72 72 ARG N N 72 118.300 120.874 -2.574 1
1 953 . 12 1 1 A 73 73 TYR H H 73 7.970 8.260 -0.290 1
1 954 . 12 1 1 A 73 73 TYR HA H 73 4.800 4.360 0.440 1
1 961 . 12 1 1 A 73 73 TYR C C 73 178.000 177.832 0.168 1
1 962 . 12 1 1 A 73 73 TYR CA C 73 60.100 59.794 0.306 1
1 963 . 12 1 1 A 73 73 TYR CB C 73 41.200 38.717 2.483 1
1 968 . 12 1 1 A 73 73 TYR N N 73 111.500 118.185 -6.685 1
1 969 . 12 1 1 A 74 74 TYR H H 74 8.750 8.193 0.557 1
1 970 . 12 1 1 A 74 74 TYR HA H 74 4.080 4.202 -0.122 1
1 977 . 12 1 1 A 74 74 TYR C C 74 176.600 177.658 -1.058 1
1 978 . 12 1 1 A 74 74 TYR CA C 74 62.400 61.181 1.219 1
1 979 . 12 1 1 A 74 74 TYR CB C 74 36.100 38.621 -2.521 1
1 984 . 12 1 1 A 74 74 TYR N N 74 121.500 120.822 0.678 1
1 985 . 12 1 1 A 75 75 LYS H H 75 7.760 7.821 -0.061 1
1 986 . 12 1 1 A 75 75 LYS HA H 75 3.710 3.641 0.069 1
1 995 . 12 1 1 A 75 75 LYS C C 75 177.500 178.454 -0.954 1
1 996 . 12 1 1 A 75 75 LYS CA C 75 57.600 58.646 -1.046 1
1 997 . 12 1 1 A 75 75 LYS CB C 75 31.800 31.813 -0.013 1
1 1001 . 12 1 1 A 75 75 LYS N N 75 120.300 117.936 2.364 1
1 1002 . 12 1 1 A 76 76 LYS H H 76 7.510 7.887 -0.377 1
1 1003 . 12 1 1 A 76 76 LYS HA H 76 4.230 4.171 0.059 1
1 1012 . 12 1 1 A 76 76 LYS C C 76 177.900 178.421 -0.521 1
1 1013 . 12 1 1 A 76 76 LYS CA C 76 58.300 57.882 0.418 1
1 1014 . 12 1 1 A 76 76 LYS CB C 76 33.700 33.343 0.357 1
1 1018 . 12 1 1 A 76 76 LYS N N 76 118.000 117.516 0.484 1
1 1019 . 12 1 1 A 77 77 ILE H H 77 7.610 8.403 -0.793 1
1 1020 . 12 1 1 A 77 77 ILE HA H 77 4.670 4.447 0.223 1
1 1030 . 12 1 1 A 77 77 ILE C C 77 176.000 175.881 0.119 1
1 1031 . 12 1 1 A 77 77 ILE CA C 77 60.600 61.048 -0.448 1
1 1032 . 12 1 1 A 77 77 ILE CB C 77 39.700 40.215 -0.515 1
1 1036 . 12 1 1 A 77 77 ILE N N 77 108.200 111.839 -3.639 1
1 1037 . 12 1 1 A 78 78 GLY H H 78 7.390 7.340 0.050 1
1 1038 . 12 1 1 A 78 78 GLY HA2 H 78 4.730 4.127 0.603 1
1 1039 . 12 1 1 A 78 78 GLY HA3 H 78 3.970 4.152 -0.182 1
1 1040 . 12 1 1 A 78 78 GLY C C 78 175.800 175.025 0.775 1
1 1041 . 12 1 1 A 78 78 GLY CA C 78 44.900 44.577 0.323 1
1 1042 . 12 1 1 A 78 78 GLY N N 78 112.200 109.827 2.373 1
1 1043 . 12 1 1 A 79 79 ILE H H 79 9.030 8.932 0.098 1
1 1044 . 12 1 1 A 79 79 ILE HA H 79 4.080 4.008 0.072 1
1 1054 . 12 1 1 A 79 79 ILE C C 79 174.700 177.942 -3.242 1
1 1055 . 12 1 1 A 79 79 ILE CA C 79 62.900 63.326 -0.426 1
1 1056 . 12 1 1 A 79 79 ILE CB C 79 38.600 38.096 0.504 1
1 1060 . 12 1 1 A 79 79 ILE N N 79 125.700 122.072 3.628 1
1 1061 . 12 1 1 A 80 80 GLU H H 80 9.480 8.485 0.995 1
1 1062 . 12 1 1 A 80 80 GLU HA H 80 4.070 4.095 -0.025 1
1 1067 . 12 1 1 A 80 80 GLU C C 80 179.200 179.655 -0.455 1
1 1068 . 12 1 1 A 80 80 GLU CA C 80 59.700 59.980 -0.280 1
1 1069 . 12 1 1 A 80 80 GLU CB C 80 28.100 29.350 -1.250 1
1 1071 . 12 1 1 A 80 80 GLU N N 80 122.400 121.975 0.425 1
1 1072 . 12 1 1 A 81 81 ASN H H 81 7.570 8.130 -0.560 1
1 1073 . 12 1 1 A 81 81 ASN HA H 81 4.580 4.578 0.002 1
1 1078 . 12 1 1 A 81 81 ASN C C 81 177.600 177.912 -0.312 1
1 1079 . 12 1 1 A 81 81 ASN CA C 81 55.600 56.139 -0.539 1
1 1080 . 12 1 1 A 81 81 ASN CB C 81 37.900 38.755 -0.855 1
1 1081 . 12 1 1 A 81 81 ASN N N 81 117.000 117.703 -0.703 1
1 1083 . 12 1 1 A 82 82 VAL H H 82 8.180 7.765 0.415 1
1 1084 . 12 1 1 A 82 82 VAL HA H 82 3.590 3.499 0.091 1
1 1092 . 12 1 1 A 82 82 VAL C C 82 176.900 177.785 -0.885 1
1 1093 . 12 1 1 A 82 82 VAL CA C 82 66.800 66.733 0.067 1
1 1094 . 12 1 1 A 82 82 VAL CB C 82 31.100 31.432 -0.332 1
1 1097 . 12 1 1 A 82 82 VAL N N 82 120.900 120.590 0.310 1
1 1098 . 12 1 1 A 83 83 ASN H H 83 8.440 8.922 -0.482 1
1 1099 . 12 1 1 A 83 83 ASN HA H 83 4.440 4.433 0.007 1
1 1104 . 12 1 1 A 83 83 ASN C C 83 177.700 177.822 -0.122 1
1 1105 . 12 1 1 A 83 83 ASN CA C 83 56.000 56.475 -0.475 1
1 1106 . 12 1 1 A 83 83 ASN CB C 83 37.000 37.536 -0.536 1
1 1107 . 12 1 1 A 83 83 ASN N N 83 120.500 118.812 1.688 1
1 1109 . 12 1 1 A 84 84 GLN H H 84 7.550 7.449 0.101 1
1 1110 . 12 1 1 A 84 84 GLN HA H 84 4.050 4.098 -0.048 1
1 1117 . 12 1 1 A 84 84 GLN C C 84 179.000 178.798 0.202 1
1 1118 . 12 1 1 A 84 84 GLN CA C 84 58.900 58.702 0.198 1
1 1119 . 12 1 1 A 84 84 GLN CB C 84 28.300 28.134 0.166 1
1 1121 . 12 1 1 A 84 84 GLN N N 84 116.900 119.378 -2.478 1
1 1123 . 12 1 1 A 85 85 LEU H H 85 7.990 8.078 -0.088 1
1 1124 . 12 1 1 A 85 85 LEU HA H 85 4.080 4.105 -0.025 1
1 1134 . 12 1 1 A 85 85 LEU C C 85 180.400 179.250 1.150 1
1 1135 . 12 1 1 A 85 85 LEU CA C 85 58.200 58.110 0.090 1
1 1136 . 12 1 1 A 85 85 LEU CB C 85 41.700 41.800 -0.100 1
1 1140 . 12 1 1 A 85 85 LEU N N 85 121.300 119.493 1.807 1
1 1141 . 12 1 1 A 86 86 ILE H H 86 8.630 8.477 0.153 1
1 1142 . 12 1 1 A 86 86 ILE HA H 86 3.560 3.802 -0.242 1
1 1152 . 12 1 1 A 86 86 ILE C C 86 177.700 178.706 -1.006 1
1 1153 . 12 1 1 A 86 86 ILE CA C 86 66.600 64.775 1.825 1
1 1154 . 12 1 1 A 86 86 ILE CB C 86 37.800 36.248 1.552 1
1 1158 . 12 1 1 A 86 86 ILE N N 86 122.000 119.918 2.082 1
1 1159 . 12 1 1 A 87 87 LEU H H 87 8.200 8.068 0.132 1
1 1160 . 12 1 1 A 87 87 LEU HA H 87 4.010 4.052 -0.042 1
1 1170 . 12 1 1 A 87 87 LEU C C 87 179.000 179.227 -0.227 1
1 1171 . 12 1 1 A 87 87 LEU CA C 87 58.200 58.084 0.116 1
1 1172 . 12 1 1 A 87 87 LEU CB C 87 40.800 41.942 -1.142 1
1 1176 . 12 1 1 A 87 87 LEU N N 87 118.300 119.652 -1.352 1
1 1177 . 12 1 1 A 88 88 THR H H 88 8.420 8.211 0.209 1
1 1178 . 12 1 1 A 88 88 THR HA H 88 4.000 4.051 -0.051 1
1 1183 . 12 1 1 A 88 88 THR C C 88 176.300 176.899 -0.599 1
1 1184 . 12 1 1 A 88 88 THR CA C 88 66.500 66.155 0.345 1
1 1185 . 12 1 1 A 88 88 THR CB C 88 69.400 68.526 0.874 1
1 1187 . 12 1 1 A 88 88 THR N N 88 112.700 115.880 -3.180 1
1 1188 . 12 1 1 A 89 89 THR H H 89 7.690 8.100 -0.410 1
1 1189 . 12 1 1 A 89 89 THR HA H 89 4.040 3.986 0.054 1
1 1194 . 12 1 1 A 89 89 THR C C 89 175.500 176.761 -1.261 1
1 1195 . 12 1 1 A 89 89 THR CA C 89 67.100 66.911 0.189 1
1 1196 . 12 1 1 A 89 89 THR CB C 89 68.500 68.174 0.326 1
1 1198 . 12 1 1 A 89 89 THR N N 89 116.600 117.195 -0.595 1
1 1199 . 12 1 1 A 90 90 ILE H H 90 8.330 7.349 0.981 1
1 1200 . 12 1 1 A 90 90 ILE HA H 90 4.420 4.218 0.202 1
1 1210 . 12 1 1 A 90 90 ILE C C 90 175.700 176.417 -0.717 1
1 1211 . 12 1 1 A 90 90 ILE CA C 90 62.000 62.888 -0.888 1
1 1212 . 12 1 1 A 90 90 ILE CB C 90 38.500 38.129 0.371 1
1 1216 . 12 1 1 A 90 90 ILE N N 90 125.300 113.359 11.941 1
1 1217 . 12 1 1 A 91 91 LYS H H 91 7.450 7.282 0.168 1
1 1218 . 12 1 1 A 91 91 LYS HA H 91 3.970 4.482 -0.512 1
1 1227 . 12 1 1 A 91 91 LYS CA C 91 57.200 54.934 2.266 1
1 1228 . 12 1 1 A 91 91 LYS CB C 91 32.900 30.974 1.926 1
1 1 . 13 1 1 A 3 3 ILE H H 3 8.310 7.787 0.523 1
1 2 . 13 1 1 A 3 3 ILE HA H 3 3.740 3.833 -0.093 1
1 12 . 13 1 1 A 3 3 ILE C C 3 175.200 177.100 -1.900 1
1 13 . 13 1 1 A 3 3 ILE CA C 3 64.200 61.048 3.152 1
1 14 . 13 1 1 A 3 3 ILE CB C 3 37.400 37.615 -0.215 1
1 18 . 13 1 1 A 3 3 ILE N N 3 124.900 121.262 3.638 1
1 19 . 13 1 1 A 4 4 LEU H H 4 7.270 7.652 -0.382 1
1 20 . 13 1 1 A 4 4 LEU HA H 4 3.680 4.226 -0.546 1
1 30 . 13 1 1 A 4 4 LEU C C 4 177.300 178.106 -0.806 1
1 31 . 13 1 1 A 4 4 LEU CA C 4 56.300 55.626 0.674 1
1 32 . 13 1 1 A 4 4 LEU CB C 4 41.100 41.306 -0.206 1
1 36 . 13 1 1 A 4 4 LEU N N 4 116.100 122.328 -6.228 1
1 37 . 13 1 1 A 5 5 GLU H H 5 7.350 7.943 -0.593 1
1 38 . 13 1 1 A 5 5 GLU HA H 5 4.290 4.324 -0.034 1
1 43 . 13 1 1 A 5 5 GLU C C 5 176.300 176.132 0.168 1
1 44 . 13 1 1 A 5 5 GLU CA C 5 55.200 57.883 -2.683 1
1 45 . 13 1 1 A 5 5 GLU CB C 5 30.000 29.588 0.412 1
1 47 . 13 1 1 A 5 5 GLU N N 5 114.200 117.053 -2.853 1
1 48 . 13 1 1 A 6 6 ASP H H 6 7.860 7.617 0.243 1
1 49 . 13 1 1 A 6 6 ASP HA H 6 4.830 4.982 -0.152 1
1 52 . 13 1 1 A 6 6 ASP C C 6 175.500 175.469 0.031 1
1 53 . 13 1 1 A 6 6 ASP CA C 6 53.000 51.117 1.883 1
1 54 . 13 1 1 A 6 6 ASP CB C 6 40.800 42.275 -1.475 1
1 55 . 13 1 1 A 6 6 ASP N N 6 125.000 122.838 2.162 1
1 56 . 13 1 1 A 7 7 PRO HA H 7 4.240 4.350 -0.110 1
1 63 . 13 1 1 A 7 7 PRO C C 7 179.000 178.666 0.334 1
1 64 . 13 1 1 A 7 7 PRO CA C 7 65.700 64.918 0.782 1
1 65 . 13 1 1 A 7 7 PRO CB C 7 32.300 32.165 0.135 1
1 68 . 13 1 1 A 8 8 GLU H H 8 9.250 8.405 0.845 1
1 69 . 13 1 1 A 8 8 GLU HA H 8 4.120 4.124 -0.004 1
1 74 . 13 1 1 A 8 8 GLU C C 8 178.100 178.906 -0.806 1
1 75 . 13 1 1 A 8 8 GLU CA C 8 60.000 59.334 0.666 1
1 76 . 13 1 1 A 8 8 GLU CB C 8 29.200 29.307 -0.107 1
1 78 . 13 1 1 A 8 8 GLU N N 8 117.600 118.526 -0.926 1
1 79 . 13 1 1 A 9 9 PHE H H 9 7.640 8.503 -0.863 1
1 80 . 13 1 1 A 9 9 PHE HA H 9 4.130 4.108 0.022 1
1 87 . 13 1 1 A 9 9 PHE C C 9 178.600 177.138 1.462 1
1 88 . 13 1 1 A 9 9 PHE CA C 9 62.200 61.359 0.841 1
1 89 . 13 1 1 A 9 9 PHE CB C 9 40.400 39.466 0.934 1
1 94 . 13 1 1 A 9 9 PHE N N 9 118.200 122.086 -3.886 1
1 95 . 13 1 1 A 10 10 VAL H H 10 8.220 8.232 -0.012 1
1 96 . 13 1 1 A 10 10 VAL HA H 10 3.590 3.865 -0.275 1
1 104 . 13 1 1 A 10 10 VAL C C 10 179.400 177.737 1.663 1
1 105 . 13 1 1 A 10 10 VAL CA C 10 66.800 64.605 2.195 1
1 106 . 13 1 1 A 10 10 VAL CB C 10 31.700 31.198 0.502 1
1 109 . 13 1 1 A 10 10 VAL N N 10 120.300 118.781 1.519 1
1 110 . 13 1 1 A 11 11 LYS H H 11 7.760 7.530 0.230 1
1 111 . 13 1 1 A 11 11 LYS HA H 11 4.050 3.986 0.064 1
1 120 . 13 1 1 A 11 11 LYS C C 11 179.000 179.830 -0.830 1
1 121 . 13 1 1 A 11 11 LYS CA C 11 59.300 60.011 -0.711 1
1 122 . 13 1 1 A 11 11 LYS CB C 11 32.600 32.375 0.225 1
1 126 . 13 1 1 A 11 11 LYS N N 11 119.600 122.850 -3.250 1
1 127 . 13 1 1 A 12 12 LEU H H 12 7.750 8.390 -0.640 1
1 128 . 13 1 1 A 12 12 LEU HA H 12 4.190 4.067 0.123 1
1 138 . 13 1 1 A 12 12 LEU C C 12 178.400 179.364 -0.964 1
1 139 . 13 1 1 A 12 12 LEU CA C 12 57.800 58.043 -0.243 1
1 140 . 13 1 1 A 12 12 LEU CB C 12 41.900 41.433 0.467 1
1 144 . 13 1 1 A 12 12 LEU N N 12 119.900 119.974 -0.074 1
1 145 . 13 1 1 A 13 13 ARG H H 13 7.600 8.094 -0.494 1
1 146 . 13 1 1 A 13 13 ARG HA H 13 3.940 3.854 0.086 1
1 153 . 13 1 1 A 13 13 ARG C C 13 178.600 178.997 -0.397 1
1 154 . 13 1 1 A 13 13 ARG CA C 13 59.000 59.706 -0.706 1
1 155 . 13 1 1 A 13 13 ARG CB C 13 30.200 29.818 0.382 1
1 158 . 13 1 1 A 13 13 ARG N N 13 115.300 118.735 -3.435 1
1 159 . 13 1 1 A 14 14 GLN H H 14 7.770 7.522 0.248 1
1 160 . 13 1 1 A 14 14 GLN HA H 14 4.130 4.120 0.010 1
1 167 . 13 1 1 A 14 14 GLN C C 14 176.500 178.033 -1.533 1
1 168 . 13 1 1 A 14 14 GLN CA C 14 57.100 58.543 -1.443 1
1 169 . 13 1 1 A 14 14 GLN CB C 14 28.200 28.717 -0.517 1
1 171 . 13 1 1 A 14 14 GLN N N 14 116.400 118.646 -2.246 1
1 173 . 13 1 1 A 15 15 PHE H H 15 8.030 8.433 -0.403 1
1 174 . 13 1 1 A 15 15 PHE HA H 15 4.220 4.127 0.093 1
1 181 . 13 1 1 A 15 15 PHE C C 15 175.200 175.472 -0.272 1
1 182 . 13 1 1 A 15 15 PHE CA C 15 59.100 61.122 -2.022 1
1 183 . 13 1 1 A 15 15 PHE CB C 15 38.800 39.106 -0.306 1
1 188 . 13 1 1 A 15 15 PHE N N 15 116.800 121.059 -4.259 1
1 189 . 13 1 1 A 16 16 LYS H H 16 7.470 8.473 -1.003 1
1 190 . 13 1 1 A 16 16 LYS HA H 16 4.190 4.073 0.117 1
1 191 . 13 1 1 A 16 16 LYS CA C 16 58.400 56.903 1.497 1
1 192 . 13 1 1 A 16 16 LYS CB C 16 33.300 31.219 2.081 1
1 193 . 13 1 1 A 16 16 LYS N N 16 122.500 118.581 3.919 1
1 194 . 13 1 1 A 17 17 GLY HA2 H 17 3.920 2.451 1.469 1
1 195 . 13 1 1 A 17 17 GLY HA3 H 17 4.210 3.581 0.629 1
1 196 . 13 1 1 A 17 17 GLY C C 17 174.300 174.109 0.191 1
1 197 . 13 1 1 A 17 17 GLY CA C 17 46.200 45.601 0.599 1
1 198 . 13 1 1 A 18 18 LYS H H 18 8.230 7.552 0.678 1
1 199 . 13 1 1 A 18 18 LYS HA H 18 4.550 3.733 0.817 1
1 208 . 13 1 1 A 18 18 LYS C C 18 175.800 174.760 1.040 1
1 209 . 13 1 1 A 18 18 LYS CA C 18 56.100 57.499 -1.399 1
1 210 . 13 1 1 A 18 18 LYS CB C 18 33.700 29.848 3.852 1
1 214 . 13 1 1 A 18 18 LYS N N 18 118.100 115.204 2.896 1
1 215 . 13 1 1 A 19 19 VAL H H 19 7.150 7.443 -0.293 1
1 216 . 13 1 1 A 19 19 VAL HA H 19 4.400 4.667 -0.267 1
1 224 . 13 1 1 A 19 19 VAL CA C 19 58.800 59.064 -0.264 1
1 225 . 13 1 1 A 19 19 VAL CB C 19 34.300 34.426 -0.126 1
1 228 . 13 1 1 A 19 19 VAL N N 19 111.100 116.398 -5.298 1
1 229 . 13 1 1 A 20 20 ASN HA H 20 4.660 4.632 0.028 1
1 234 . 13 1 1 A 20 20 ASN C C 20 174.600 176.485 -1.885 1
1 235 . 13 1 1 A 20 20 ASN CA C 20 52.700 53.572 -0.872 1
1 236 . 13 1 1 A 20 20 ASN CB C 20 37.900 40.076 -2.176 1
1 238 . 13 1 1 A 21 21 PHE H H 21 8.580 9.228 -0.648 1
1 239 . 13 1 1 A 21 21 PHE HA H 21 3.730 4.006 -0.276 1
1 247 . 13 1 1 A 21 21 PHE C C 21 175.300 177.167 -1.867 1
1 248 . 13 1 1 A 21 21 PHE CA C 21 62.500 62.341 0.159 1
1 249 . 13 1 1 A 21 21 PHE CB C 21 40.400 39.429 0.971 1
1 255 . 13 1 1 A 21 21 PHE N N 21 128.200 128.137 0.063 1
1 256 . 13 1 1 A 22 22 ASN H H 22 8.220 8.546 -0.326 1
1 257 . 13 1 1 A 22 22 ASN HA H 22 4.300 4.425 -0.125 1
1 262 . 13 1 1 A 22 22 ASN C C 22 177.800 178.006 -0.206 1
1 263 . 13 1 1 A 22 22 ASN CA C 22 56.400 56.653 -0.253 1
1 264 . 13 1 1 A 22 22 ASN CB C 22 37.900 38.270 -0.370 1
1 265 . 13 1 1 A 22 22 ASN N N 22 114.600 118.426 -3.826 1
1 267 . 13 1 1 A 23 23 LEU H H 23 7.440 7.791 -0.351 1
1 268 . 13 1 1 A 23 23 LEU HA H 23 4.190 4.087 0.103 1
1 278 . 13 1 1 A 23 23 LEU C C 23 177.800 178.522 -0.722 1
1 279 . 13 1 1 A 23 23 LEU CA C 23 56.900 57.922 -1.022 1
1 280 . 13 1 1 A 23 23 LEU CB C 23 41.400 41.676 -0.276 1
1 284 . 13 1 1 A 23 23 LEU N N 23 122.500 121.825 0.675 1
1 285 . 13 1 1 A 24 24 VAL H H 24 7.930 8.251 -0.321 1
1 286 . 13 1 1 A 24 24 VAL HA H 24 3.560 3.588 -0.028 1
1 294 . 13 1 1 A 24 24 VAL C C 24 177.500 177.468 0.032 1
1 295 . 13 1 1 A 24 24 VAL CA C 24 67.200 67.188 0.012 1
1 296 . 13 1 1 A 24 24 VAL CB C 24 31.000 31.363 -0.363 1
1 299 . 13 1 1 A 24 24 VAL N N 24 119.400 119.287 0.113 1
1 300 . 13 1 1 A 25 25 MET H H 25 8.020 8.288 -0.268 1
1 301 . 13 1 1 A 25 25 MET HA H 25 3.640 3.985 -0.345 1
1 309 . 13 1 1 A 25 25 MET C C 25 176.800 178.053 -1.253 1
1 310 . 13 1 1 A 25 25 MET CA C 25 60.000 58.371 1.629 1
1 311 . 13 1 1 A 25 25 MET CB C 25 32.900 31.196 1.704 1
1 314 . 13 1 1 A 25 25 MET N N 25 116.600 119.795 -3.195 1
1 315 . 13 1 1 A 26 26 GLN H H 26 7.530 8.164 -0.634 1
1 316 . 13 1 1 A 26 26 GLN HA H 26 4.050 4.099 -0.049 1
1 323 . 13 1 1 A 26 26 GLN C C 26 177.800 178.580 -0.780 1
1 324 . 13 1 1 A 26 26 GLN CA C 26 59.100 58.896 0.204 1
1 325 . 13 1 1 A 26 26 GLN CB C 26 28.100 28.174 -0.074 1
1 327 . 13 1 1 A 26 26 GLN N N 26 118.200 118.613 -0.413 1
1 329 . 13 1 1 A 27 27 ILE H H 27 8.230 8.436 -0.206 1
1 330 . 13 1 1 A 27 27 ILE HA H 27 3.350 3.403 -0.053 1
1 340 . 13 1 1 A 27 27 ILE C C 27 177.700 178.443 -0.743 1
1 341 . 13 1 1 A 27 27 ILE CA C 27 65.900 65.916 -0.016 1
1 342 . 13 1 1 A 27 27 ILE CB C 27 37.900 38.126 -0.226 1
1 346 . 13 1 1 A 27 27 ILE N N 27 120.700 120.628 0.072 1
1 347 . 13 1 1 A 28 28 LEU H H 28 8.550 8.420 0.130 1
1 348 . 13 1 1 A 28 28 LEU HA H 28 4.020 3.942 0.078 1
1 358 . 13 1 1 A 28 28 LEU C C 28 179.900 178.852 1.048 1
1 359 . 13 1 1 A 28 28 LEU CA C 28 58.400 58.205 0.195 1
1 360 . 13 1 1 A 28 28 LEU CB C 28 39.700 41.017 -1.317 1
1 364 . 13 1 1 A 28 28 LEU N N 28 118.900 118.697 0.203 1
1 365 . 13 1 1 A 29 29 ASP H H 29 8.470 8.522 -0.052 1
1 366 . 13 1 1 A 29 29 ASP HA H 29 4.440 4.247 0.193 1
1 369 . 13 1 1 A 29 29 ASP C C 29 179.600 178.340 1.260 1
1 370 . 13 1 1 A 29 29 ASP CA C 29 57.400 57.974 -0.574 1
1 371 . 13 1 1 A 29 29 ASP CB C 29 40.400 41.340 -0.940 1
1 372 . 13 1 1 A 29 29 ASP N N 29 120.700 119.326 1.374 1
1 373 . 13 1 1 A 30 30 GLU H H 30 8.630 8.690 -0.060 1
1 374 . 13 1 1 A 30 30 GLU HA H 30 3.980 4.077 -0.097 1
1 379 . 13 1 1 A 30 30 GLU C C 30 180.600 178.819 1.781 1
1 380 . 13 1 1 A 30 30 GLU CA C 30 60.000 59.033 0.967 1
1 381 . 13 1 1 A 30 30 GLU CB C 30 29.900 29.690 0.210 1
1 383 . 13 1 1 A 30 30 GLU N N 30 120.800 118.899 1.901 1
1 384 . 13 1 1 A 31 31 ILE H H 31 8.520 7.840 0.680 1
1 385 . 13 1 1 A 31 31 ILE HA H 31 3.540 3.826 -0.286 1
1 395 . 13 1 1 A 31 31 ILE C C 31 176.400 178.014 -1.614 1
1 396 . 13 1 1 A 31 31 ILE CA C 31 66.600 64.101 2.499 1
1 397 . 13 1 1 A 31 31 ILE CB C 31 37.800 37.560 0.240 1
1 401 . 13 1 1 A 31 31 ILE N N 31 123.100 119.717 3.383 1
1 402 . 13 1 1 A 32 32 GLU H H 32 8.070 8.317 -0.247 1
1 403 . 13 1 1 A 32 32 GLU HA H 32 3.730 3.997 -0.267 1
1 408 . 13 1 1 A 32 32 GLU C C 32 178.400 178.874 -0.474 1
1 409 . 13 1 1 A 32 32 GLU CA C 32 60.800 59.400 1.400 1
1 410 . 13 1 1 A 32 32 GLU CB C 32 28.800 29.533 -0.733 1
1 412 . 13 1 1 A 32 32 GLU N N 32 120.300 121.593 -1.293 1
1 413 . 13 1 1 A 33 33 LEU H H 33 8.160 8.199 -0.039 1
1 414 . 13 1 1 A 33 33 LEU HA H 33 3.980 3.978 0.002 1
1 424 . 13 1 1 A 33 33 LEU C C 33 180.100 178.266 1.834 1
1 425 . 13 1 1 A 33 33 LEU CA C 33 58.000 58.169 -0.169 1
1 426 . 13 1 1 A 33 33 LEU CB C 33 42.100 41.662 0.438 1
1 430 . 13 1 1 A 33 33 LEU N N 33 117.900 120.081 -2.181 1
1 431 . 13 1 1 A 34 34 ASP H H 34 8.200 8.004 0.196 1
1 432 . 13 1 1 A 34 34 ASP HA H 34 4.290 4.392 -0.102 1
1 435 . 13 1 1 A 34 34 ASP C C 34 178.600 178.377 0.223 1
1 436 . 13 1 1 A 34 34 ASP CA C 34 58.200 57.620 0.580 1
1 437 . 13 1 1 A 34 34 ASP CB C 34 42.800 41.166 1.634 1
1 438 . 13 1 1 A 34 34 ASP N N 34 120.500 119.391 1.109 1
1 439 . 13 1 1 A 35 35 LEU H H 35 8.630 8.241 0.389 1
1 440 . 13 1 1 A 35 35 LEU HA H 35 4.360 4.325 0.035 1
1 450 . 13 1 1 A 35 35 LEU C C 35 179.000 178.426 0.574 1
1 451 . 13 1 1 A 35 35 LEU CA C 35 56.400 57.557 -1.157 1
1 452 . 13 1 1 A 35 35 LEU CB C 35 42.800 41.610 1.190 1
1 456 . 13 1 1 A 35 35 LEU N N 35 121.300 120.409 0.891 1
1 457 . 13 1 1 A 36 36 ARG H H 36 7.410 8.181 -0.771 1
1 458 . 13 1 1 A 36 36 ARG HA H 36 4.050 4.133 -0.083 1
1 465 . 13 1 1 A 36 36 ARG C C 36 177.800 177.970 -0.170 1
1 466 . 13 1 1 A 36 36 ARG CA C 36 59.000 59.226 -0.226 1
1 467 . 13 1 1 A 36 36 ARG CB C 36 30.000 30.039 -0.039 1
1 470 . 13 1 1 A 36 36 ARG N N 36 117.000 119.504 -2.504 1
1 471 . 13 1 1 A 37 37 GLY H H 37 7.580 8.273 -0.693 1
1 472 . 13 1 1 A 37 37 GLY HA2 H 37 3.830 3.996 -0.166 1
1 473 . 13 1 1 A 37 37 GLY HA3 H 37 4.280 4.000 0.280 1
1 474 . 13 1 1 A 37 37 GLY C C 37 174.800 174.093 0.707 1
1 475 . 13 1 1 A 37 37 GLY CA C 37 45.200 45.779 -0.579 1
1 476 . 13 1 1 A 37 37 GLY N N 37 103.600 107.135 -3.535 1
1 477 . 13 1 1 A 38 38 SER H H 38 8.380 8.117 0.263 1
1 478 . 13 1 1 A 38 38 SER HA H 38 4.330 4.697 -0.367 1
1 481 . 13 1 1 A 38 38 SER C C 38 175.100 173.732 1.368 1
1 482 . 13 1 1 A 38 38 SER CA C 38 58.700 57.191 1.509 1
1 483 . 13 1 1 A 38 38 SER CB C 38 63.800 63.550 0.250 1
1 484 . 13 1 1 A 38 38 SER N N 38 117.800 116.407 1.393 1
1 485 . 13 1 1 A 39 39 ASP H H 39 8.520 8.865 -0.345 1
1 486 . 13 1 1 A 39 39 ASP HA H 39 4.470 4.938 -0.468 1
1 489 . 13 1 1 A 39 39 ASP C C 39 175.300 175.410 -0.110 1
1 490 . 13 1 1 A 39 39 ASP CA C 39 55.400 55.508 -0.108 1
1 491 . 13 1 1 A 39 39 ASP CB C 39 41.500 43.925 -2.425 1
1 492 . 13 1 1 A 39 39 ASP N N 39 120.500 120.060 0.440 1
1 493 . 13 1 1 A 40 40 ASN H H 40 8.230 7.622 0.608 1
1 494 . 13 1 1 A 40 40 ASN HA H 40 4.800 4.963 -0.163 1
1 499 . 13 1 1 A 40 40 ASN C C 40 174.600 175.260 -0.660 1
1 500 . 13 1 1 A 40 40 ASN CA C 40 52.900 52.423 0.477 1
1 501 . 13 1 1 A 40 40 ASN CB C 40 39.500 36.953 2.547 1
1 502 . 13 1 1 A 40 40 ASN N N 40 116.100 116.675 -0.575 1
1 504 . 13 1 1 A 41 41 ILE H H 41 8.340 7.901 0.439 1
1 505 . 13 1 1 A 41 41 ILE HA H 41 3.840 3.743 0.097 1
1 515 . 13 1 1 A 41 41 ILE C C 41 175.000 177.112 -2.112 1
1 516 . 13 1 1 A 41 41 ILE CA C 41 62.500 62.832 -0.332 1
1 517 . 13 1 1 A 41 41 ILE CB C 41 37.600 37.861 -0.261 1
1 521 . 13 1 1 A 41 41 ILE N N 41 124.800 125.481 -0.681 1
1 522 . 13 1 1 A 42 42 LYS H H 42 7.790 8.422 -0.632 1
1 523 . 13 1 1 A 42 42 LYS HA H 42 3.780 3.920 -0.140 1
1 532 . 13 1 1 A 42 42 LYS C C 42 178.300 178.469 -0.169 1
1 533 . 13 1 1 A 42 42 LYS CA C 42 60.200 58.599 1.601 1
1 534 . 13 1 1 A 42 42 LYS CB C 42 31.800 31.701 0.099 1
1 538 . 13 1 1 A 42 42 LYS N N 42 122.100 119.774 2.326 1
1 539 . 13 1 1 A 43 43 THR H H 43 7.500 7.582 -0.082 1
1 540 . 13 1 1 A 43 43 THR HA H 43 3.790 3.712 0.078 1
1 545 . 13 1 1 A 43 43 THR C C 43 177.100 175.838 1.262 1
1 546 . 13 1 1 A 43 43 THR CA C 43 65.900 65.881 0.019 1
1 547 . 13 1 1 A 43 43 THR CB C 43 68.400 68.542 -0.142 1
1 549 . 13 1 1 A 43 43 THR N N 43 112.900 116.962 -4.062 1
1 550 . 13 1 1 A 44 44 SER H H 44 7.860 7.681 0.179 1
1 551 . 13 1 1 A 44 44 SER HA H 44 4.570 4.065 0.505 1
1 554 . 13 1 1 A 44 44 SER C C 44 175.100 175.851 -0.751 1
1 555 . 13 1 1 A 44 44 SER CA C 44 63.600 62.168 1.432 1
1 556 . 13 1 1 A 44 44 SER CB C 44 63.900 62.830 1.070 1
1 557 . 13 1 1 A 44 44 SER N N 44 119.700 117.618 2.082 1
1 558 . 13 1 1 A 45 45 ILE H H 45 8.240 7.975 0.265 1
1 559 . 13 1 1 A 45 45 ILE HA H 45 3.140 3.353 -0.213 1
1 569 . 13 1 1 A 45 45 ILE C C 45 176.500 177.860 -1.360 1
1 570 . 13 1 1 A 45 45 ILE CA C 45 66.200 64.792 1.408 1
1 571 . 13 1 1 A 45 45 ILE CB C 45 37.800 37.411 0.389 1
1 575 . 13 1 1 A 45 45 ILE N N 45 121.300 120.487 0.813 1
1 576 . 13 1 1 A 46 46 ILE H H 46 7.680 7.646 0.034 1
1 577 . 13 1 1 A 46 46 ILE HA H 46 3.480 3.464 0.016 1
1 587 . 13 1 1 A 46 46 ILE C C 46 178.900 177.746 1.154 1
1 588 . 13 1 1 A 46 46 ILE CA C 46 65.300 65.116 0.184 1
1 589 . 13 1 1 A 46 46 ILE CB C 46 37.800 37.800 0.000 1
1 593 . 13 1 1 A 46 46 ILE N N 46 117.100 119.705 -2.605 1
1 594 . 13 1 1 A 47 47 TYR H H 47 8.400 7.490 0.910 1
1 595 . 13 1 1 A 47 47 TYR HA H 47 4.190 4.385 -0.195 1
1 602 . 13 1 1 A 47 47 TYR C C 47 178.700 178.336 0.364 1
1 603 . 13 1 1 A 47 47 TYR CA C 47 61.300 60.809 0.491 1
1 604 . 13 1 1 A 47 47 TYR CB C 47 38.400 38.624 -0.224 1
1 609 . 13 1 1 A 47 47 TYR N N 47 120.900 120.064 0.836 1
1 610 . 13 1 1 A 48 48 VAL H H 48 8.480 8.016 0.464 1
1 611 . 13 1 1 A 48 48 VAL HA H 48 3.560 3.960 -0.400 1
1 619 . 13 1 1 A 48 48 VAL C C 48 179.600 177.918 1.682 1
1 620 . 13 1 1 A 48 48 VAL CA C 48 67.000 66.369 0.631 1
1 621 . 13 1 1 A 48 48 VAL CB C 48 31.700 31.693 0.007 1
1 624 . 13 1 1 A 48 48 VAL N N 48 121.600 119.814 1.786 1
1 625 . 13 1 1 A 49 49 TYR H H 49 9.630 8.627 1.003 1
1 626 . 13 1 1 A 49 49 TYR HA H 49 4.080 4.126 -0.046 1
1 633 . 13 1 1 A 49 49 TYR C C 49 179.300 178.646 0.654 1
1 634 . 13 1 1 A 49 49 TYR CA C 49 59.900 60.655 -0.755 1
1 635 . 13 1 1 A 49 49 TYR CB C 49 35.300 37.476 -2.176 1
1 640 . 13 1 1 A 49 49 TYR N N 49 122.000 119.321 2.679 1
1 641 . 13 1 1 A 50 50 SER H H 50 8.120 8.494 -0.374 1
1 642 . 13 1 1 A 50 50 SER HA H 50 4.130 4.402 -0.272 1
1 645 . 13 1 1 A 50 50 SER C C 50 175.700 175.143 0.557 1
1 646 . 13 1 1 A 50 50 SER CA C 50 62.000 61.581 0.419 1
1 647 . 13 1 1 A 50 50 SER CB C 50 62.900 63.449 -0.549 1
1 648 . 13 1 1 A 50 50 SER N N 50 112.600 116.479 -3.879 1
1 649 . 13 1 1 A 51 51 SER H H 51 7.510 7.777 -0.267 1
1 650 . 13 1 1 A 51 51 SER HA H 51 4.350 4.437 -0.087 1
1 653 . 13 1 1 A 51 51 SER C C 51 173.600 175.055 -1.455 1
1 654 . 13 1 1 A 51 51 SER CA C 51 59.500 59.158 0.342 1
1 655 . 13 1 1 A 51 51 SER CB C 51 63.300 63.967 -0.667 1
1 656 . 13 1 1 A 51 51 SER N N 51 116.800 115.238 1.562 1
1 657 . 13 1 1 A 52 52 HIS H H 52 7.590 7.642 -0.052 1
1 658 . 13 1 1 A 52 52 HIS HA H 52 4.890 4.983 -0.093 1
1 663 . 13 1 1 A 52 52 HIS C C 52 175.200 175.636 -0.436 1
1 664 . 13 1 1 A 52 52 HIS CA C 52 54.100 55.027 -0.927 1
1 665 . 13 1 1 A 52 52 HIS CB C 52 29.500 29.612 -0.112 1
1 668 . 13 1 1 A 52 52 HIS N N 52 120.500 117.559 2.941 1
1 669 . 13 1 1 A 53 53 LEU H H 53 7.440 7.783 -0.343 1
1 670 . 13 1 1 A 53 53 LEU HA H 53 3.870 3.802 0.068 1
1 680 . 13 1 1 A 53 53 LEU C C 53 177.900 178.623 -0.723 1
1 681 . 13 1 1 A 53 53 LEU CA C 53 59.100 58.437 0.663 1
1 682 . 13 1 1 A 53 53 LEU CB C 53 42.300 41.577 0.723 1
1 686 . 13 1 1 A 53 53 LEU N N 53 121.400 121.187 0.213 1
1 687 . 13 1 1 A 54 54 ASP H H 54 8.400 8.298 0.102 1
1 688 . 13 1 1 A 54 54 ASP HA H 54 4.290 4.247 0.043 1
1 691 . 13 1 1 A 54 54 ASP C C 54 177.900 178.153 -0.253 1
1 692 . 13 1 1 A 54 54 ASP CA C 54 57.600 57.943 -0.343 1
1 693 . 13 1 1 A 54 54 ASP CB C 54 40.200 41.398 -1.198 1
1 694 . 13 1 1 A 54 54 ASP N N 54 115.900 118.496 -2.596 1
1 695 . 13 1 1 A 55 55 GLU H H 55 7.500 8.148 -0.648 1
1 696 . 13 1 1 A 55 55 GLU HA H 55 4.310 4.072 0.238 1
1 701 . 13 1 1 A 55 55 GLU C C 55 178.300 179.148 -0.848 1
1 702 . 13 1 1 A 55 55 GLU CA C 55 57.800 59.268 -1.468 1
1 703 . 13 1 1 A 55 55 GLU CB C 55 29.100 29.525 -0.425 1
1 705 . 13 1 1 A 55 55 GLU N N 55 120.100 118.794 1.306 1
1 706 . 13 1 1 A 56 56 ILE H H 56 7.720 8.361 -0.641 1
1 707 . 13 1 1 A 56 56 ILE HA H 56 3.440 3.472 -0.032 1
1 717 . 13 1 1 A 56 56 ILE C C 56 178.600 177.914 0.686 1
1 718 . 13 1 1 A 56 56 ILE CA C 56 62.500 65.442 -2.942 1
1 719 . 13 1 1 A 56 56 ILE CB C 56 36.200 37.518 -1.318 1
1 723 . 13 1 1 A 56 56 ILE N N 56 119.600 119.462 0.138 1
1 724 . 13 1 1 A 57 57 ARG H H 57 8.200 8.549 -0.349 1
1 725 . 13 1 1 A 57 57 ARG HA H 57 3.930 4.029 -0.099 1
1 732 . 13 1 1 A 57 57 ARG C C 57 178.800 178.892 -0.092 1
1 733 . 13 1 1 A 57 57 ARG CA C 57 59.000 59.700 -0.700 1
1 734 . 13 1 1 A 57 57 ARG CB C 57 30.100 29.788 0.312 1
1 737 . 13 1 1 A 57 57 ARG N N 57 115.500 120.159 -4.659 1
1 738 . 13 1 1 A 58 58 LYS H H 58 7.400 8.035 -0.635 1
1 739 . 13 1 1 A 58 58 LYS HA H 58 4.210 4.219 -0.009 1
1 748 . 13 1 1 A 58 58 LYS C C 58 176.800 177.046 -0.246 1
1 749 . 13 1 1 A 58 58 LYS CA C 58 58.100 59.461 -1.361 1
1 750 . 13 1 1 A 58 58 LYS CB C 58 33.100 32.478 0.622 1
1 754 . 13 1 1 A 58 58 LYS N N 58 117.400 120.152 -2.752 1
1 755 . 13 1 1 A 59 59 ASN H H 59 7.630 7.629 0.001 1
1 756 . 13 1 1 A 59 59 ASN HA H 59 5.310 5.190 0.120 1
1 761 . 13 1 1 A 59 59 ASN C C 59 174.900 174.840 0.060 1
1 762 . 13 1 1 A 59 59 ASN CA C 59 52.100 52.095 0.005 1
1 763 . 13 1 1 A 59 59 ASN CB C 59 40.200 38.502 1.698 1
1 764 . 13 1 1 A 59 59 ASN N N 59 119.200 116.074 3.126 1
1 766 . 13 1 1 A 60 60 LYS H H 60 7.460 8.349 -0.889 1
1 767 . 13 1 1 A 60 60 LYS HA H 60 4.070 4.257 -0.187 1
1 776 . 13 1 1 A 60 60 LYS C C 60 177.900 178.524 -0.624 1
1 777 . 13 1 1 A 60 60 LYS CA C 60 61.100 59.381 1.719 1
1 778 . 13 1 1 A 60 60 LYS CB C 60 33.300 31.926 1.374 1
1 782 . 13 1 1 A 60 60 LYS N N 60 122.700 119.505 3.195 1
1 783 . 13 1 1 A 61 61 GLU H H 61 8.660 8.003 0.657 1
1 784 . 13 1 1 A 61 61 GLU HA H 61 4.080 3.971 0.109 1
1 789 . 13 1 1 A 61 61 GLU C C 61 178.900 178.886 0.014 1
1 790 . 13 1 1 A 61 61 GLU CA C 61 60.100 59.115 0.985 1
1 791 . 13 1 1 A 61 61 GLU CB C 61 29.100 29.192 -0.092 1
1 793 . 13 1 1 A 61 61 GLU N N 61 117.300 119.763 -2.463 1
1 794 . 13 1 1 A 62 62 PHE H H 62 7.670 8.051 -0.381 1
1 795 . 13 1 1 A 62 62 PHE HA H 62 3.420 4.155 -0.735 1
1 803 . 13 1 1 A 62 62 PHE C C 62 176.200 176.924 -0.724 1
1 804 . 13 1 1 A 62 62 PHE CA C 62 60.900 61.291 -0.391 1
1 805 . 13 1 1 A 62 62 PHE CB C 62 38.300 39.031 -0.731 1
1 811 . 13 1 1 A 62 62 PHE N N 62 119.300 121.249 -1.949 1
1 812 . 13 1 1 A 63 63 TYR H H 63 7.850 8.161 -0.311 1
1 813 . 13 1 1 A 63 63 TYR HA H 63 3.870 4.064 -0.194 1
1 820 . 13 1 1 A 63 63 TYR C C 63 180.200 177.558 2.642 1
1 821 . 13 1 1 A 63 63 TYR CA C 63 63.500 61.736 1.764 1
1 822 . 13 1 1 A 63 63 TYR CB C 63 37.100 37.122 -0.022 1
1 827 . 13 1 1 A 63 63 TYR N N 63 116.500 117.701 -1.201 1
1 828 . 13 1 1 A 64 64 ASP H H 64 9.110 8.589 0.521 1
1 829 . 13 1 1 A 64 64 ASP HA H 64 4.650 4.538 0.112 1
1 832 . 13 1 1 A 64 64 ASP C C 64 178.700 178.574 0.126 1
1 833 . 13 1 1 A 64 64 ASP CA C 64 57.600 57.310 0.290 1
1 834 . 13 1 1 A 64 64 ASP CB C 64 39.800 40.891 -1.091 1
1 835 . 13 1 1 A 64 64 ASP N N 64 126.100 121.306 4.794 1
1 836 . 13 1 1 A 65 65 MET H H 65 7.600 8.270 -0.670 1
1 837 . 13 1 1 A 65 65 MET HA H 65 4.140 4.169 -0.029 1
1 845 . 13 1 1 A 65 65 MET C C 65 178.800 178.030 0.770 1
1 846 . 13 1 1 A 65 65 MET CA C 65 59.300 58.807 0.493 1
1 847 . 13 1 1 A 65 65 MET CB C 65 32.800 32.807 -0.007 1
1 850 . 13 1 1 A 65 65 MET N N 65 121.100 117.923 3.177 1
1 851 . 13 1 1 A 66 66 ILE H H 66 7.910 7.881 0.029 1
1 852 . 13 1 1 A 66 66 ILE HA H 66 3.430 3.796 -0.366 1
1 862 . 13 1 1 A 66 66 ILE C C 66 177.000 177.937 -0.937 1
1 863 . 13 1 1 A 66 66 ILE CA C 66 64.500 64.186 0.314 1
1 864 . 13 1 1 A 66 66 ILE CB C 66 36.700 37.405 -0.705 1
1 868 . 13 1 1 A 66 66 ILE N N 66 116.900 116.423 0.477 1
1 869 . 13 1 1 A 67 67 ALA H H 67 7.660 8.131 -0.471 1
1 870 . 13 1 1 A 67 67 ALA HA H 67 3.940 3.911 0.029 1
1 874 . 13 1 1 A 67 67 ALA C C 67 180.200 179.627 0.573 1
1 875 . 13 1 1 A 67 67 ALA CA C 67 55.600 55.149 0.451 1
1 876 . 13 1 1 A 67 67 ALA CB C 67 18.000 18.112 -0.112 1
1 877 . 13 1 1 A 67 67 ALA N N 67 120.700 123.232 -2.532 1
1 878 . 13 1 1 A 68 68 GLU H H 68 7.660 7.656 0.004 1
1 879 . 13 1 1 A 68 68 GLU HA H 68 4.040 4.097 -0.057 1
1 884 . 13 1 1 A 68 68 GLU C C 68 179.000 178.871 0.129 1
1 885 . 13 1 1 A 68 68 GLU CA C 68 59.300 59.088 0.212 1
1 886 . 13 1 1 A 68 68 GLU CB C 68 29.500 29.373 0.127 1
1 888 . 13 1 1 A 68 68 GLU N N 68 118.700 118.318 0.382 1
1 889 . 13 1 1 A 69 69 ILE H H 69 8.240 7.972 0.268 1
1 890 . 13 1 1 A 69 69 ILE HA H 69 3.630 3.814 -0.184 1
1 900 . 13 1 1 A 69 69 ILE C C 69 178.200 178.153 0.047 1
1 901 . 13 1 1 A 69 69 ILE CA C 69 65.700 65.845 -0.145 1
1 902 . 13 1 1 A 69 69 ILE CB C 69 38.100 37.960 0.140 1
1 906 . 13 1 1 A 69 69 ILE N N 69 120.700 119.307 1.393 1
1 907 . 13 1 1 A 70 70 LEU H H 70 8.770 8.846 -0.076 1
1 908 . 13 1 1 A 70 70 LEU HA H 70 3.960 3.947 0.013 1
1 918 . 13 1 1 A 70 70 LEU C C 70 179.300 179.358 -0.058 1
1 919 . 13 1 1 A 70 70 LEU CA C 70 59.100 58.300 0.800 1
1 920 . 13 1 1 A 70 70 LEU CB C 70 43.000 41.626 1.374 1
1 924 . 13 1 1 A 70 70 LEU N N 70 119.100 120.608 -1.508 1
1 925 . 13 1 1 A 71 71 GLN H H 71 7.660 7.766 -0.106 1
1 926 . 13 1 1 A 71 71 GLN HA H 71 3.960 4.135 -0.175 1
1 933 . 13 1 1 A 71 71 GLN C C 71 177.700 178.813 -1.113 1
1 934 . 13 1 1 A 71 71 GLN CA C 71 59.800 59.442 0.358 1
1 935 . 13 1 1 A 71 71 GLN CB C 71 30.000 28.398 1.602 1
1 937 . 13 1 1 A 71 71 GLN N N 71 114.200 117.347 -3.147 1
1 939 . 13 1 1 A 72 72 ARG H H 72 8.180 7.927 0.253 1
1 940 . 13 1 1 A 72 72 ARG HA H 72 4.000 3.993 0.007 1
1 947 . 13 1 1 A 72 72 ARG C C 72 178.900 177.814 1.086 1
1 948 . 13 1 1 A 72 72 ARG CA C 72 58.900 58.980 -0.080 1
1 949 . 13 1 1 A 72 72 ARG CB C 72 31.100 29.972 1.128 1
1 952 . 13 1 1 A 72 72 ARG N N 72 118.300 120.171 -1.871 1
1 953 . 13 1 1 A 73 73 TYR H H 73 7.970 8.097 -0.127 1
1 954 . 13 1 1 A 73 73 TYR HA H 73 4.800 4.390 0.410 1
1 961 . 13 1 1 A 73 73 TYR C C 73 178.000 177.922 0.078 1
1 962 . 13 1 1 A 73 73 TYR CA C 73 60.100 59.601 0.499 1
1 963 . 13 1 1 A 73 73 TYR CB C 73 41.200 39.144 2.056 1
1 968 . 13 1 1 A 73 73 TYR N N 73 111.500 117.867 -6.367 1
1 969 . 13 1 1 A 74 74 TYR H H 74 8.750 8.168 0.582 1
1 970 . 13 1 1 A 74 74 TYR HA H 74 4.080 4.259 -0.179 1
1 977 . 13 1 1 A 74 74 TYR C C 74 176.600 177.758 -1.158 1
1 978 . 13 1 1 A 74 74 TYR CA C 74 62.400 61.149 1.251 1
1 979 . 13 1 1 A 74 74 TYR CB C 74 36.100 38.025 -1.925 1
1 984 . 13 1 1 A 74 74 TYR N N 74 121.500 120.796 0.704 1
1 985 . 13 1 1 A 75 75 LYS H H 75 7.760 7.591 0.169 1
1 986 . 13 1 1 A 75 75 LYS HA H 75 3.710 3.681 0.029 1
1 995 . 13 1 1 A 75 75 LYS C C 75 177.500 177.808 -0.308 1
1 996 . 13 1 1 A 75 75 LYS CA C 75 57.600 58.535 -0.935 1
1 997 . 13 1 1 A 75 75 LYS CB C 75 31.800 32.064 -0.264 1
1 1001 . 13 1 1 A 75 75 LYS N N 75 120.300 120.490 -0.190 1
1 1002 . 13 1 1 A 76 76 LYS H H 76 7.510 7.663 -0.153 1
1 1003 . 13 1 1 A 76 76 LYS HA H 76 4.230 4.278 -0.048 1
1 1012 . 13 1 1 A 76 76 LYS C C 76 177.900 178.436 -0.536 1
1 1013 . 13 1 1 A 76 76 LYS CA C 76 58.300 57.636 0.664 1
1 1014 . 13 1 1 A 76 76 LYS CB C 76 33.700 33.578 0.122 1
1 1018 . 13 1 1 A 76 76 LYS N N 76 118.000 117.436 0.564 1
1 1019 . 13 1 1 A 77 77 ILE H H 77 7.610 8.359 -0.749 1
1 1020 . 13 1 1 A 77 77 ILE HA H 77 4.670 4.391 0.279 1
1 1030 . 13 1 1 A 77 77 ILE C C 77 176.000 175.792 0.208 1
1 1031 . 13 1 1 A 77 77 ILE CA C 77 60.600 61.168 -0.568 1
1 1032 . 13 1 1 A 77 77 ILE CB C 77 39.700 39.932 -0.232 1
1 1036 . 13 1 1 A 77 77 ILE N N 77 108.200 112.552 -4.352 1
1 1037 . 13 1 1 A 78 78 GLY H H 78 7.390 7.265 0.125 1
1 1038 . 13 1 1 A 78 78 GLY HA2 H 78 4.730 4.109 0.621 1
1 1039 . 13 1 1 A 78 78 GLY HA3 H 78 3.970 4.113 -0.143 1
1 1040 . 13 1 1 A 78 78 GLY C C 78 175.800 174.976 0.824 1
1 1041 . 13 1 1 A 78 78 GLY CA C 78 44.900 44.656 0.244 1
1 1042 . 13 1 1 A 78 78 GLY N N 78 112.200 109.687 2.513 1
1 1043 . 13 1 1 A 79 79 ILE H H 79 9.030 8.803 0.227 1
1 1044 . 13 1 1 A 79 79 ILE HA H 79 4.080 4.021 0.059 1
1 1054 . 13 1 1 A 79 79 ILE C C 79 174.700 177.894 -3.194 1
1 1055 . 13 1 1 A 79 79 ILE CA C 79 62.900 63.170 -0.270 1
1 1056 . 13 1 1 A 79 79 ILE CB C 79 38.600 38.040 0.560 1
1 1060 . 13 1 1 A 79 79 ILE N N 79 125.700 122.022 3.678 1
1 1061 . 13 1 1 A 80 80 GLU H H 80 9.480 8.393 1.087 1
1 1062 . 13 1 1 A 80 80 GLU HA H 80 4.070 3.982 0.088 1
1 1067 . 13 1 1 A 80 80 GLU C C 80 179.200 179.525 -0.325 1
1 1068 . 13 1 1 A 80 80 GLU CA C 80 59.700 59.916 -0.216 1
1 1069 . 13 1 1 A 80 80 GLU CB C 80 28.100 29.434 -1.334 1
1 1071 . 13 1 1 A 80 80 GLU N N 80 122.400 122.516 -0.116 1
1 1072 . 13 1 1 A 81 81 ASN H H 81 7.570 8.306 -0.736 1
1 1073 . 13 1 1 A 81 81 ASN HA H 81 4.580 4.591 -0.011 1
1 1078 . 13 1 1 A 81 81 ASN C C 81 177.600 177.771 -0.171 1
1 1079 . 13 1 1 A 81 81 ASN CA C 81 55.600 56.071 -0.471 1
1 1080 . 13 1 1 A 81 81 ASN CB C 81 37.900 38.713 -0.813 1
1 1081 . 13 1 1 A 81 81 ASN N N 81 117.000 117.483 -0.483 1
1 1083 . 13 1 1 A 82 82 VAL H H 82 8.180 7.937 0.243 1
1 1084 . 13 1 1 A 82 82 VAL HA H 82 3.590 3.550 0.040 1
1 1092 . 13 1 1 A 82 82 VAL C C 82 176.900 177.761 -0.861 1
1 1093 . 13 1 1 A 82 82 VAL CA C 82 66.800 66.821 -0.021 1
1 1094 . 13 1 1 A 82 82 VAL CB C 82 31.100 31.487 -0.387 1
1 1097 . 13 1 1 A 82 82 VAL N N 82 120.900 120.571 0.329 1
1 1098 . 13 1 1 A 83 83 ASN H H 83 8.440 8.778 -0.338 1
1 1099 . 13 1 1 A 83 83 ASN HA H 83 4.440 4.401 0.039 1
1 1104 . 13 1 1 A 83 83 ASN C C 83 177.700 178.034 -0.334 1
1 1105 . 13 1 1 A 83 83 ASN CA C 83 56.000 56.745 -0.745 1
1 1106 . 13 1 1 A 83 83 ASN CB C 83 37.000 39.845 -2.845 1
1 1107 . 13 1 1 A 83 83 ASN N N 83 120.500 118.777 1.723 1
1 1109 . 13 1 1 A 84 84 GLN H H 84 7.550 7.678 -0.128 1
1 1110 . 13 1 1 A 84 84 GLN HA H 84 4.050 4.147 -0.097 1
1 1117 . 13 1 1 A 84 84 GLN C C 84 179.000 178.862 0.138 1
1 1118 . 13 1 1 A 84 84 GLN CA C 84 58.900 58.648 0.252 1
1 1119 . 13 1 1 A 84 84 GLN CB C 84 28.300 28.154 0.146 1
1 1121 . 13 1 1 A 84 84 GLN N N 84 116.900 119.543 -2.643 1
1 1123 . 13 1 1 A 85 85 LEU H H 85 7.990 8.155 -0.165 1
1 1124 . 13 1 1 A 85 85 LEU HA H 85 4.080 4.125 -0.045 1
1 1134 . 13 1 1 A 85 85 LEU C C 85 180.400 179.343 1.057 1
1 1135 . 13 1 1 A 85 85 LEU CA C 85 58.200 58.186 0.014 1
1 1136 . 13 1 1 A 85 85 LEU CB C 85 41.700 41.845 -0.145 1
1 1140 . 13 1 1 A 85 85 LEU N N 85 121.300 119.454 1.846 1
1 1141 . 13 1 1 A 86 86 ILE H H 86 8.630 8.611 0.019 1
1 1142 . 13 1 1 A 86 86 ILE HA H 86 3.560 3.837 -0.277 1
1 1152 . 13 1 1 A 86 86 ILE C C 86 177.700 178.497 -0.797 1
1 1153 . 13 1 1 A 86 86 ILE CA C 86 66.600 64.759 1.841 1
1 1154 . 13 1 1 A 86 86 ILE CB C 86 37.800 35.992 1.808 1
1 1158 . 13 1 1 A 86 86 ILE N N 86 122.000 119.908 2.092 1
1 1159 . 13 1 1 A 87 87 LEU H H 87 8.200 7.954 0.246 1
1 1160 . 13 1 1 A 87 87 LEU HA H 87 4.010 4.045 -0.035 1
1 1170 . 13 1 1 A 87 87 LEU C C 87 179.000 178.826 0.174 1
1 1171 . 13 1 1 A 87 87 LEU CA C 87 58.200 58.205 -0.005 1
1 1172 . 13 1 1 A 87 87 LEU CB C 87 40.800 41.603 -0.803 1
1 1176 . 13 1 1 A 87 87 LEU N N 87 118.300 119.965 -1.665 1
1 1177 . 13 1 1 A 88 88 THR H H 88 8.420 8.267 0.153 1
1 1178 . 13 1 1 A 88 88 THR HA H 88 4.000 4.086 -0.086 1
1 1183 . 13 1 1 A 88 88 THR C C 88 176.300 176.766 -0.466 1
1 1184 . 13 1 1 A 88 88 THR CA C 88 66.500 66.070 0.430 1
1 1185 . 13 1 1 A 88 88 THR CB C 88 69.400 68.254 1.146 1
1 1187 . 13 1 1 A 88 88 THR N N 88 112.700 116.007 -3.307 1
1 1188 . 13 1 1 A 89 89 THR H H 89 7.690 8.202 -0.512 1
1 1189 . 13 1 1 A 89 89 THR HA H 89 4.040 3.947 0.093 1
1 1194 . 13 1 1 A 89 89 THR C C 89 175.500 176.866 -1.366 1
1 1195 . 13 1 1 A 89 89 THR CA C 89 67.100 66.737 0.363 1
1 1196 . 13 1 1 A 89 89 THR CB C 89 68.500 68.500 0.000 1
1 1198 . 13 1 1 A 89 89 THR N N 89 116.600 117.171 -0.571 1
1 1199 . 13 1 1 A 90 90 ILE H H 90 8.330 7.431 0.899 1
1 1200 . 13 1 1 A 90 90 ILE HA H 90 4.420 4.148 0.272 1
1 1210 . 13 1 1 A 90 90 ILE C C 90 175.700 176.067 -0.367 1
1 1211 . 13 1 1 A 90 90 ILE CA C 90 62.000 62.828 -0.828 1
1 1212 . 13 1 1 A 90 90 ILE CB C 90 38.500 37.908 0.592 1
1 1216 . 13 1 1 A 90 90 ILE N N 90 125.300 113.747 11.553 1
1 1217 . 13 1 1 A 91 91 LYS H H 91 7.450 7.209 0.241 1
1 1218 . 13 1 1 A 91 91 LYS HA H 91 3.970 4.445 -0.475 1
1 1227 . 13 1 1 A 91 91 LYS CA C 91 57.200 55.328 1.872 1
1 1228 . 13 1 1 A 91 91 LYS CB C 91 32.900 31.412 1.488 1
1 1 . 14 1 1 A 3 3 ILE H H 3 8.310 8.561 -0.251 1
1 2 . 14 1 1 A 3 3 ILE HA H 3 3.740 3.647 0.093 1
1 12 . 14 1 1 A 3 3 ILE C C 3 175.200 177.625 -2.425 1
1 13 . 14 1 1 A 3 3 ILE CA C 3 64.200 61.928 2.272 1
1 14 . 14 1 1 A 3 3 ILE CB C 3 37.400 38.881 -1.481 1
1 18 . 14 1 1 A 3 3 ILE N N 3 124.900 125.615 -0.715 1
1 19 . 14 1 1 A 4 4 LEU H H 4 7.270 7.703 -0.433 1
1 20 . 14 1 1 A 4 4 LEU HA H 4 3.680 4.407 -0.727 1
1 30 . 14 1 1 A 4 4 LEU C C 4 177.300 177.578 -0.278 1
1 31 . 14 1 1 A 4 4 LEU CA C 4 56.300 55.116 1.184 1
1 32 . 14 1 1 A 4 4 LEU CB C 4 41.100 41.210 -0.110 1
1 36 . 14 1 1 A 4 4 LEU N N 4 116.100 120.108 -4.008 1
1 37 . 14 1 1 A 5 5 GLU H H 5 7.350 8.346 -0.996 1
1 38 . 14 1 1 A 5 5 GLU HA H 5 4.290 4.396 -0.106 1
1 43 . 14 1 1 A 5 5 GLU C C 5 176.300 175.110 1.190 1
1 44 . 14 1 1 A 5 5 GLU CA C 5 55.200 56.134 -0.934 1
1 45 . 14 1 1 A 5 5 GLU CB C 5 30.000 29.025 0.975 1
1 47 . 14 1 1 A 5 5 GLU N N 5 114.200 115.930 -1.730 1
1 48 . 14 1 1 A 6 6 ASP H H 6 7.860 7.300 0.560 1
1 49 . 14 1 1 A 6 6 ASP HA H 6 4.830 5.002 -0.172 1
1 52 . 14 1 1 A 6 6 ASP C C 6 175.500 175.654 -0.154 1
1 53 . 14 1 1 A 6 6 ASP CA C 6 53.000 50.716 2.284 1
1 54 . 14 1 1 A 6 6 ASP CB C 6 40.800 42.830 -2.030 1
1 55 . 14 1 1 A 6 6 ASP N N 6 125.000 122.449 2.551 1
1 56 . 14 1 1 A 7 7 PRO HA H 7 4.240 4.315 -0.075 1
1 63 . 14 1 1 A 7 7 PRO C C 7 179.000 178.502 0.498 1
1 64 . 14 1 1 A 7 7 PRO CA C 7 65.700 64.860 0.840 1
1 65 . 14 1 1 A 7 7 PRO CB C 7 32.300 32.102 0.198 1
1 68 . 14 1 1 A 8 8 GLU H H 8 9.250 8.607 0.643 1
1 69 . 14 1 1 A 8 8 GLU HA H 8 4.120 4.100 0.020 1
1 74 . 14 1 1 A 8 8 GLU C C 8 178.100 179.007 -0.907 1
1 75 . 14 1 1 A 8 8 GLU CA C 8 60.000 59.100 0.900 1
1 76 . 14 1 1 A 8 8 GLU CB C 8 29.200 29.365 -0.165 1
1 78 . 14 1 1 A 8 8 GLU N N 8 117.600 118.276 -0.676 1
1 79 . 14 1 1 A 9 9 PHE H H 9 7.640 8.253 -0.613 1
1 80 . 14 1 1 A 9 9 PHE HA H 9 4.130 4.048 0.082 1
1 87 . 14 1 1 A 9 9 PHE C C 9 178.600 177.762 0.838 1
1 88 . 14 1 1 A 9 9 PHE CA C 9 62.200 61.271 0.929 1
1 89 . 14 1 1 A 9 9 PHE CB C 9 40.400 39.174 1.226 1
1 94 . 14 1 1 A 9 9 PHE N N 9 118.200 122.629 -4.429 1
1 95 . 14 1 1 A 10 10 VAL H H 10 8.220 8.028 0.192 1
1 96 . 14 1 1 A 10 10 VAL HA H 10 3.590 3.711 -0.121 1
1 104 . 14 1 1 A 10 10 VAL C C 10 179.400 177.627 1.773 1
1 105 . 14 1 1 A 10 10 VAL CA C 10 66.800 64.488 2.312 1
1 106 . 14 1 1 A 10 10 VAL CB C 10 31.700 31.287 0.413 1
1 109 . 14 1 1 A 10 10 VAL N N 10 120.300 118.759 1.541 1
1 110 . 14 1 1 A 11 11 LYS H H 11 7.760 7.627 0.133 1
1 111 . 14 1 1 A 11 11 LYS HA H 11 4.050 3.987 0.063 1
1 120 . 14 1 1 A 11 11 LYS C C 11 179.000 179.716 -0.716 1
1 121 . 14 1 1 A 11 11 LYS CA C 11 59.300 59.957 -0.657 1
1 122 . 14 1 1 A 11 11 LYS CB C 11 32.600 32.494 0.106 1
1 126 . 14 1 1 A 11 11 LYS N N 11 119.600 122.861 -3.261 1
1 127 . 14 1 1 A 12 12 LEU H H 12 7.750 8.065 -0.315 1
1 128 . 14 1 1 A 12 12 LEU HA H 12 4.190 3.888 0.302 1
1 138 . 14 1 1 A 12 12 LEU C C 12 178.400 179.113 -0.713 1
1 139 . 14 1 1 A 12 12 LEU CA C 12 57.800 57.961 -0.161 1
1 140 . 14 1 1 A 12 12 LEU CB C 12 41.900 41.596 0.304 1
1 144 . 14 1 1 A 12 12 LEU N N 12 119.900 119.962 -0.062 1
1 145 . 14 1 1 A 13 13 ARG H H 13 7.600 7.514 0.086 1
1 146 . 14 1 1 A 13 13 ARG HA H 13 3.940 3.898 0.042 1
1 153 . 14 1 1 A 13 13 ARG C C 13 178.600 178.867 -0.267 1
1 154 . 14 1 1 A 13 13 ARG CA C 13 59.000 59.057 -0.057 1
1 155 . 14 1 1 A 13 13 ARG CB C 13 30.200 29.379 0.821 1
1 158 . 14 1 1 A 13 13 ARG N N 13 115.300 120.124 -4.824 1
1 159 . 14 1 1 A 14 14 GLN H H 14 7.770 7.661 0.109 1
1 160 . 14 1 1 A 14 14 GLN HA H 14 4.130 4.164 -0.034 1
1 167 . 14 1 1 A 14 14 GLN C C 14 176.500 178.345 -1.845 1
1 168 . 14 1 1 A 14 14 GLN CA C 14 57.100 58.466 -1.366 1
1 169 . 14 1 1 A 14 14 GLN CB C 14 28.200 28.751 -0.551 1
1 171 . 14 1 1 A 14 14 GLN N N 14 116.400 118.153 -1.753 1
1 173 . 14 1 1 A 15 15 PHE H H 15 8.030 8.502 -0.472 1
1 174 . 14 1 1 A 15 15 PHE HA H 15 4.220 4.137 0.083 1
1 181 . 14 1 1 A 15 15 PHE C C 15 175.200 175.351 -0.151 1
1 182 . 14 1 1 A 15 15 PHE CA C 15 59.100 61.222 -2.122 1
1 183 . 14 1 1 A 15 15 PHE CB C 15 38.800 39.118 -0.318 1
1 188 . 14 1 1 A 15 15 PHE N N 15 116.800 122.453 -5.653 1
1 189 . 14 1 1 A 16 16 LYS H H 16 7.470 8.265 -0.795 1
1 190 . 14 1 1 A 16 16 LYS HA H 16 4.190 4.494 -0.304 1
1 191 . 14 1 1 A 16 16 LYS CA C 16 58.400 58.026 0.374 1
1 192 . 14 1 1 A 16 16 LYS CB C 16 33.300 31.478 1.822 1
1 193 . 14 1 1 A 16 16 LYS N N 16 122.500 118.038 4.462 1
1 194 . 14 1 1 A 17 17 GLY HA2 H 17 3.920 3.842 0.078 1
1 195 . 14 1 1 A 17 17 GLY HA3 H 17 4.210 4.040 0.170 1
1 196 . 14 1 1 A 17 17 GLY C C 17 174.300 174.802 -0.502 1
1 197 . 14 1 1 A 17 17 GLY CA C 17 46.200 46.427 -0.227 1
1 198 . 14 1 1 A 18 18 LYS H H 18 8.230 8.122 0.108 1
1 199 . 14 1 1 A 18 18 LYS HA H 18 4.550 4.405 0.145 1
1 208 . 14 1 1 A 18 18 LYS C C 18 175.800 176.516 -0.716 1
1 209 . 14 1 1 A 18 18 LYS CA C 18 56.100 56.495 -0.395 1
1 210 . 14 1 1 A 18 18 LYS CB C 18 33.700 32.811 0.889 1
1 214 . 14 1 1 A 18 18 LYS N N 18 118.100 124.753 -6.653 1
1 215 . 14 1 1 A 19 19 VAL H H 19 7.150 6.868 0.282 1
1 216 . 14 1 1 A 19 19 VAL HA H 19 4.400 4.533 -0.133 1
1 224 . 14 1 1 A 19 19 VAL CA C 19 58.800 59.896 -1.096 1
1 225 . 14 1 1 A 19 19 VAL CB C 19 34.300 33.929 0.371 1
1 228 . 14 1 1 A 19 19 VAL N N 19 111.100 113.938 -2.838 1
1 229 . 14 1 1 A 20 20 ASN HA H 20 4.660 4.690 -0.030 1
1 234 . 14 1 1 A 20 20 ASN C C 20 174.600 176.580 -1.980 1
1 235 . 14 1 1 A 20 20 ASN CA C 20 52.700 53.718 -1.018 1
1 236 . 14 1 1 A 20 20 ASN CB C 20 37.900 39.927 -2.027 1
1 238 . 14 1 1 A 21 21 PHE H H 21 8.580 9.295 -0.715 1
1 239 . 14 1 1 A 21 21 PHE HA H 21 3.730 4.039 -0.309 1
1 247 . 14 1 1 A 21 21 PHE C C 21 175.300 177.160 -1.860 1
1 248 . 14 1 1 A 21 21 PHE CA C 21 62.500 62.353 0.147 1
1 249 . 14 1 1 A 21 21 PHE CB C 21 40.400 39.465 0.935 1
1 255 . 14 1 1 A 21 21 PHE N N 21 128.200 128.197 0.003 1
1 256 . 14 1 1 A 22 22 ASN H H 22 8.220 8.649 -0.429 1
1 257 . 14 1 1 A 22 22 ASN HA H 22 4.300 4.528 -0.228 1
1 262 . 14 1 1 A 22 22 ASN C C 22 177.800 178.038 -0.238 1
1 263 . 14 1 1 A 22 22 ASN CA C 22 56.400 56.709 -0.309 1
1 264 . 14 1 1 A 22 22 ASN CB C 22 37.900 38.213 -0.313 1
1 265 . 14 1 1 A 22 22 ASN N N 22 114.600 118.293 -3.693 1
1 267 . 14 1 1 A 23 23 LEU H H 23 7.440 7.806 -0.366 1
1 268 . 14 1 1 A 23 23 LEU HA H 23 4.190 4.090 0.100 1
1 278 . 14 1 1 A 23 23 LEU C C 23 177.800 178.537 -0.737 1
1 279 . 14 1 1 A 23 23 LEU CA C 23 56.900 57.913 -1.013 1
1 280 . 14 1 1 A 23 23 LEU CB C 23 41.400 41.830 -0.430 1
1 284 . 14 1 1 A 23 23 LEU N N 23 122.500 121.705 0.795 1
1 285 . 14 1 1 A 24 24 VAL H H 24 7.930 8.252 -0.322 1
1 286 . 14 1 1 A 24 24 VAL HA H 24 3.560 3.556 0.004 1
1 294 . 14 1 1 A 24 24 VAL C C 24 177.500 177.498 0.002 1
1 295 . 14 1 1 A 24 24 VAL CA C 24 67.200 67.055 0.145 1
1 296 . 14 1 1 A 24 24 VAL CB C 24 31.000 31.290 -0.290 1
1 299 . 14 1 1 A 24 24 VAL N N 24 119.400 119.326 0.074 1
1 300 . 14 1 1 A 25 25 MET H H 25 8.020 8.421 -0.401 1
1 301 . 14 1 1 A 25 25 MET HA H 25 3.640 3.937 -0.297 1
1 309 . 14 1 1 A 25 25 MET C C 25 176.800 178.093 -1.293 1
1 310 . 14 1 1 A 25 25 MET CA C 25 60.000 58.351 1.649 1
1 311 . 14 1 1 A 25 25 MET CB C 25 32.900 31.334 1.566 1
1 314 . 14 1 1 A 25 25 MET N N 25 116.600 119.244 -2.644 1
1 315 . 14 1 1 A 26 26 GLN H H 26 7.530 7.908 -0.378 1
1 316 . 14 1 1 A 26 26 GLN HA H 26 4.050 4.107 -0.057 1
1 323 . 14 1 1 A 26 26 GLN C C 26 177.800 178.526 -0.726 1
1 324 . 14 1 1 A 26 26 GLN CA C 26 59.100 58.736 0.364 1
1 325 . 14 1 1 A 26 26 GLN CB C 26 28.100 28.314 -0.214 1
1 327 . 14 1 1 A 26 26 GLN N N 26 118.200 118.604 -0.404 1
1 329 . 14 1 1 A 27 27 ILE H H 27 8.230 8.310 -0.080 1
1 330 . 14 1 1 A 27 27 ILE HA H 27 3.350 3.397 -0.047 1
1 340 . 14 1 1 A 27 27 ILE C C 27 177.700 178.562 -0.862 1
1 341 . 14 1 1 A 27 27 ILE CA C 27 65.900 65.882 0.018 1
1 342 . 14 1 1 A 27 27 ILE CB C 27 37.900 37.957 -0.057 1
1 346 . 14 1 1 A 27 27 ILE N N 27 120.700 120.683 0.017 1
1 347 . 14 1 1 A 28 28 LEU H H 28 8.550 8.395 0.155 1
1 348 . 14 1 1 A 28 28 LEU HA H 28 4.020 3.972 0.048 1
1 358 . 14 1 1 A 28 28 LEU C C 28 179.900 178.949 0.951 1
1 359 . 14 1 1 A 28 28 LEU CA C 28 58.400 58.227 0.173 1
1 360 . 14 1 1 A 28 28 LEU CB C 28 39.700 40.967 -1.267 1
1 364 . 14 1 1 A 28 28 LEU N N 28 118.900 118.953 -0.053 1
1 365 . 14 1 1 A 29 29 ASP H H 29 8.470 8.529 -0.059 1
1 366 . 14 1 1 A 29 29 ASP HA H 29 4.440 4.260 0.180 1
1 369 . 14 1 1 A 29 29 ASP C C 29 179.600 178.517 1.083 1
1 370 . 14 1 1 A 29 29 ASP CA C 29 57.400 57.954 -0.554 1
1 371 . 14 1 1 A 29 29 ASP CB C 29 40.400 41.265 -0.865 1
1 372 . 14 1 1 A 29 29 ASP N N 29 120.700 119.317 1.383 1
1 373 . 14 1 1 A 30 30 GLU H H 30 8.630 8.659 -0.029 1
1 374 . 14 1 1 A 30 30 GLU HA H 30 3.980 4.082 -0.102 1
1 379 . 14 1 1 A 30 30 GLU C C 30 180.600 178.869 1.731 1
1 380 . 14 1 1 A 30 30 GLU CA C 30 60.000 59.145 0.855 1
1 381 . 14 1 1 A 30 30 GLU CB C 30 29.900 29.655 0.245 1
1 383 . 14 1 1 A 30 30 GLU N N 30 120.800 119.070 1.730 1
1 384 . 14 1 1 A 31 31 ILE H H 31 8.520 7.453 1.067 1
1 385 . 14 1 1 A 31 31 ILE HA H 31 3.540 3.883 -0.343 1
1 395 . 14 1 1 A 31 31 ILE C C 31 176.400 177.957 -1.557 1
1 396 . 14 1 1 A 31 31 ILE CA C 31 66.600 63.684 2.916 1
1 397 . 14 1 1 A 31 31 ILE CB C 31 37.800 37.353 0.447 1
1 401 . 14 1 1 A 31 31 ILE N N 31 123.100 119.797 3.303 1
1 402 . 14 1 1 A 32 32 GLU H H 32 8.070 8.429 -0.359 1
1 403 . 14 1 1 A 32 32 GLU HA H 32 3.730 4.013 -0.283 1
1 408 . 14 1 1 A 32 32 GLU C C 32 178.400 179.041 -0.641 1
1 409 . 14 1 1 A 32 32 GLU CA C 32 60.800 59.346 1.454 1
1 410 . 14 1 1 A 32 32 GLU CB C 32 28.800 29.466 -0.666 1
1 412 . 14 1 1 A 32 32 GLU N N 32 120.300 121.193 -0.893 1
1 413 . 14 1 1 A 33 33 LEU H H 33 8.160 8.357 -0.197 1
1 414 . 14 1 1 A 33 33 LEU HA H 33 3.980 4.023 -0.043 1
1 424 . 14 1 1 A 33 33 LEU C C 33 180.100 178.244 1.856 1
1 425 . 14 1 1 A 33 33 LEU CA C 33 58.000 57.996 0.004 1
1 426 . 14 1 1 A 33 33 LEU CB C 33 42.100 41.132 0.968 1
1 430 . 14 1 1 A 33 33 LEU N N 33 117.900 120.246 -2.346 1
1 431 . 14 1 1 A 34 34 ASP H H 34 8.200 7.941 0.259 1
1 432 . 14 1 1 A 34 34 ASP HA H 34 4.290 4.407 -0.117 1
1 435 . 14 1 1 A 34 34 ASP C C 34 178.600 178.345 0.255 1
1 436 . 14 1 1 A 34 34 ASP CA C 34 58.200 57.553 0.647 1
1 437 . 14 1 1 A 34 34 ASP CB C 34 42.800 41.133 1.667 1
1 438 . 14 1 1 A 34 34 ASP N N 34 120.500 119.731 0.769 1
1 439 . 14 1 1 A 35 35 LEU H H 35 8.630 8.257 0.373 1
1 440 . 14 1 1 A 35 35 LEU HA H 35 4.360 4.113 0.247 1
1 450 . 14 1 1 A 35 35 LEU C C 35 179.000 176.666 2.334 1
1 451 . 14 1 1 A 35 35 LEU CA C 35 56.400 57.906 -1.506 1
1 452 . 14 1 1 A 35 35 LEU CB C 35 42.800 41.682 1.118 1
1 456 . 14 1 1 A 35 35 LEU N N 35 121.300 120.560 0.740 1
1 457 . 14 1 1 A 36 36 ARG H H 36 7.410 7.774 -0.364 1
1 458 . 14 1 1 A 36 36 ARG HA H 36 4.050 3.893 0.157 1
1 465 . 14 1 1 A 36 36 ARG C C 36 177.800 177.229 0.571 1
1 466 . 14 1 1 A 36 36 ARG CA C 36 59.000 58.653 0.347 1
1 467 . 14 1 1 A 36 36 ARG CB C 36 30.000 28.787 1.213 1
1 470 . 14 1 1 A 36 36 ARG N N 36 117.000 117.706 -0.706 1
1 471 . 14 1 1 A 37 37 GLY H H 37 7.580 8.366 -0.786 1
1 472 . 14 1 1 A 37 37 GLY HA2 H 37 3.830 3.851 -0.021 1
1 473 . 14 1 1 A 37 37 GLY HA3 H 37 4.280 3.861 0.419 1
1 474 . 14 1 1 A 37 37 GLY C C 37 174.800 174.321 0.479 1
1 475 . 14 1 1 A 37 37 GLY CA C 37 45.200 46.806 -1.606 1
1 476 . 14 1 1 A 37 37 GLY N N 37 103.600 108.122 -4.522 1
1 477 . 14 1 1 A 38 38 SER H H 38 8.380 7.494 0.886 1
1 478 . 14 1 1 A 38 38 SER HA H 38 4.330 4.914 -0.584 1
1 481 . 14 1 1 A 38 38 SER C C 38 175.100 172.373 2.727 1
1 482 . 14 1 1 A 38 38 SER CA C 38 58.700 57.792 0.908 1
1 483 . 14 1 1 A 38 38 SER CB C 38 63.800 65.547 -1.747 1
1 484 . 14 1 1 A 38 38 SER N N 38 117.800 111.034 6.766 1
1 485 . 14 1 1 A 39 39 ASP H H 39 8.520 8.470 0.050 1
1 486 . 14 1 1 A 39 39 ASP HA H 39 4.470 4.858 -0.388 1
1 489 . 14 1 1 A 39 39 ASP C C 39 175.300 174.006 1.294 1
1 490 . 14 1 1 A 39 39 ASP CA C 39 55.400 55.410 -0.010 1
1 491 . 14 1 1 A 39 39 ASP CB C 39 41.500 41.858 -0.358 1
1 492 . 14 1 1 A 39 39 ASP N N 39 120.500 123.116 -2.616 1
1 493 . 14 1 1 A 40 40 ASN H H 40 8.230 7.977 0.253 1
1 494 . 14 1 1 A 40 40 ASN HA H 40 4.800 4.928 -0.128 1
1 499 . 14 1 1 A 40 40 ASN C C 40 174.600 174.961 -0.361 1
1 500 . 14 1 1 A 40 40 ASN CA C 40 52.900 52.109 0.791 1
1 501 . 14 1 1 A 40 40 ASN CB C 40 39.500 39.593 -0.093 1
1 502 . 14 1 1 A 40 40 ASN N N 40 116.100 115.942 0.158 1
1 504 . 14 1 1 A 41 41 ILE H H 41 8.340 8.302 0.038 1
1 505 . 14 1 1 A 41 41 ILE HA H 41 3.840 3.843 -0.003 1
1 515 . 14 1 1 A 41 41 ILE C C 41 175.000 177.226 -2.226 1
1 516 . 14 1 1 A 41 41 ILE CA C 41 62.500 62.556 -0.056 1
1 517 . 14 1 1 A 41 41 ILE CB C 41 37.600 37.788 -0.188 1
1 521 . 14 1 1 A 41 41 ILE N N 41 124.800 125.146 -0.346 1
1 522 . 14 1 1 A 42 42 LYS H H 42 7.790 8.170 -0.380 1
1 523 . 14 1 1 A 42 42 LYS HA H 42 3.780 3.954 -0.174 1
1 532 . 14 1 1 A 42 42 LYS C C 42 178.300 178.569 -0.269 1
1 533 . 14 1 1 A 42 42 LYS CA C 42 60.200 58.466 1.734 1
1 534 . 14 1 1 A 42 42 LYS CB C 42 31.800 31.866 -0.066 1
1 538 . 14 1 1 A 42 42 LYS N N 42 122.100 119.613 2.487 1
1 539 . 14 1 1 A 43 43 THR H H 43 7.500 7.923 -0.423 1
1 540 . 14 1 1 A 43 43 THR HA H 43 3.790 3.579 0.211 1
1 545 . 14 1 1 A 43 43 THR C C 43 177.100 175.734 1.366 1
1 546 . 14 1 1 A 43 43 THR CA C 43 65.900 66.308 -0.408 1
1 547 . 14 1 1 A 43 43 THR CB C 43 68.400 68.207 0.193 1
1 549 . 14 1 1 A 43 43 THR N N 43 112.900 117.052 -4.152 1
1 550 . 14 1 1 A 44 44 SER H H 44 7.860 7.433 0.427 1
1 551 . 14 1 1 A 44 44 SER HA H 44 4.570 3.932 0.638 1
1 554 . 14 1 1 A 44 44 SER C C 44 175.100 175.832 -0.732 1
1 555 . 14 1 1 A 44 44 SER CA C 44 63.600 62.187 1.413 1
1 556 . 14 1 1 A 44 44 SER CB C 44 63.900 62.874 1.026 1
1 557 . 14 1 1 A 44 44 SER N N 44 119.700 117.397 2.303 1
1 558 . 14 1 1 A 45 45 ILE H H 45 8.240 7.869 0.371 1
1 559 . 14 1 1 A 45 45 ILE HA H 45 3.140 3.429 -0.289 1
1 569 . 14 1 1 A 45 45 ILE C C 45 176.500 177.783 -1.283 1
1 570 . 14 1 1 A 45 45 ILE CA C 45 66.200 64.788 1.412 1
1 571 . 14 1 1 A 45 45 ILE CB C 45 37.800 37.509 0.291 1
1 575 . 14 1 1 A 45 45 ILE N N 45 121.300 120.470 0.830 1
1 576 . 14 1 1 A 46 46 ILE H H 46 7.680 8.081 -0.401 1
1 577 . 14 1 1 A 46 46 ILE HA H 46 3.480 3.515 -0.035 1
1 587 . 14 1 1 A 46 46 ILE C C 46 178.900 177.730 1.170 1
1 588 . 14 1 1 A 46 46 ILE CA C 46 65.300 65.156 0.144 1
1 589 . 14 1 1 A 46 46 ILE CB C 46 37.800 37.896 -0.096 1
1 593 . 14 1 1 A 46 46 ILE N N 46 117.100 119.635 -2.535 1
1 594 . 14 1 1 A 47 47 TYR H H 47 8.400 7.874 0.526 1
1 595 . 14 1 1 A 47 47 TYR HA H 47 4.190 4.419 -0.229 1
1 602 . 14 1 1 A 47 47 TYR C C 47 178.700 178.672 0.028 1
1 603 . 14 1 1 A 47 47 TYR CA C 47 61.300 60.543 0.757 1
1 604 . 14 1 1 A 47 47 TYR CB C 47 38.400 37.744 0.656 1
1 609 . 14 1 1 A 47 47 TYR N N 47 120.900 119.810 1.090 1
1 610 . 14 1 1 A 48 48 VAL H H 48 8.480 7.969 0.511 1
1 611 . 14 1 1 A 48 48 VAL HA H 48 3.560 3.966 -0.406 1
1 619 . 14 1 1 A 48 48 VAL C C 48 179.600 177.888 1.712 1
1 620 . 14 1 1 A 48 48 VAL CA C 48 67.000 66.097 0.903 1
1 621 . 14 1 1 A 48 48 VAL CB C 48 31.700 31.936 -0.236 1
1 624 . 14 1 1 A 48 48 VAL N N 48 121.600 119.816 1.784 1
1 625 . 14 1 1 A 49 49 TYR H H 49 9.630 8.664 0.966 1
1 626 . 14 1 1 A 49 49 TYR HA H 49 4.080 4.123 -0.043 1
1 633 . 14 1 1 A 49 49 TYR C C 49 179.300 178.190 1.110 1
1 634 . 14 1 1 A 49 49 TYR CA C 49 59.900 61.451 -1.551 1
1 635 . 14 1 1 A 49 49 TYR CB C 49 35.300 37.673 -2.373 1
1 640 . 14 1 1 A 49 49 TYR N N 49 122.000 119.316 2.684 1
1 641 . 14 1 1 A 50 50 SER H H 50 8.120 8.630 -0.510 1
1 642 . 14 1 1 A 50 50 SER HA H 50 4.130 4.365 -0.235 1
1 645 . 14 1 1 A 50 50 SER C C 50 175.700 176.345 -0.645 1
1 646 . 14 1 1 A 50 50 SER CA C 50 62.000 60.906 1.094 1
1 647 . 14 1 1 A 50 50 SER CB C 50 62.900 63.176 -0.276 1
1 648 . 14 1 1 A 50 50 SER N N 50 112.600 115.477 -2.877 1
1 649 . 14 1 1 A 51 51 SER H H 51 7.510 7.490 0.020 1
1 650 . 14 1 1 A 51 51 SER HA H 51 4.350 4.447 -0.097 1
1 653 . 14 1 1 A 51 51 SER C C 51 173.600 175.695 -2.095 1
1 654 . 14 1 1 A 51 51 SER CA C 51 59.500 60.988 -1.488 1
1 655 . 14 1 1 A 51 51 SER CB C 51 63.300 63.543 -0.243 1
1 656 . 14 1 1 A 51 51 SER N N 51 116.800 116.437 0.363 1
1 657 . 14 1 1 A 52 52 HIS H H 52 7.590 8.140 -0.550 1
1 658 . 14 1 1 A 52 52 HIS HA H 52 4.890 4.768 0.122 1
1 663 . 14 1 1 A 52 52 HIS C C 52 175.200 175.585 -0.385 1
1 664 . 14 1 1 A 52 52 HIS CA C 52 54.100 54.773 -0.673 1
1 665 . 14 1 1 A 52 52 HIS CB C 52 29.500 28.393 1.107 1
1 668 . 14 1 1 A 52 52 HIS N N 52 120.500 117.143 3.357 1
1 669 . 14 1 1 A 53 53 LEU H H 53 7.440 7.816 -0.376 1
1 670 . 14 1 1 A 53 53 LEU HA H 53 3.870 3.706 0.164 1
1 680 . 14 1 1 A 53 53 LEU C C 53 177.900 178.415 -0.515 1
1 681 . 14 1 1 A 53 53 LEU CA C 53 59.100 58.326 0.774 1
1 682 . 14 1 1 A 53 53 LEU CB C 53 42.300 41.350 0.950 1
1 686 . 14 1 1 A 53 53 LEU N N 53 121.400 121.353 0.047 1
1 687 . 14 1 1 A 54 54 ASP H H 54 8.400 8.257 0.143 1
1 688 . 14 1 1 A 54 54 ASP HA H 54 4.290 4.228 0.062 1
1 691 . 14 1 1 A 54 54 ASP C C 54 177.900 178.409 -0.509 1
1 692 . 14 1 1 A 54 54 ASP CA C 54 57.600 57.941 -0.341 1
1 693 . 14 1 1 A 54 54 ASP CB C 54 40.200 41.617 -1.417 1
1 694 . 14 1 1 A 54 54 ASP N N 54 115.900 118.755 -2.855 1
1 695 . 14 1 1 A 55 55 GLU H H 55 7.500 7.969 -0.469 1
1 696 . 14 1 1 A 55 55 GLU HA H 55 4.310 4.029 0.281 1
1 701 . 14 1 1 A 55 55 GLU C C 55 178.300 179.346 -1.046 1
1 702 . 14 1 1 A 55 55 GLU CA C 55 57.800 59.358 -1.558 1
1 703 . 14 1 1 A 55 55 GLU CB C 55 29.100 29.172 -0.072 1
1 705 . 14 1 1 A 55 55 GLU N N 55 120.100 118.780 1.320 1
1 706 . 14 1 1 A 56 56 ILE H H 56 7.720 7.783 -0.063 1
1 707 . 14 1 1 A 56 56 ILE HA H 56 3.440 3.401 0.039 1
1 717 . 14 1 1 A 56 56 ILE C C 56 178.600 178.419 0.181 1
1 718 . 14 1 1 A 56 56 ILE CA C 56 62.500 65.180 -2.680 1
1 719 . 14 1 1 A 56 56 ILE CB C 56 36.200 37.519 -1.319 1
1 723 . 14 1 1 A 56 56 ILE N N 56 119.600 120.758 -1.158 1
1 724 . 14 1 1 A 57 57 ARG H H 57 8.200 8.634 -0.434 1
1 725 . 14 1 1 A 57 57 ARG HA H 57 3.930 4.085 -0.155 1
1 732 . 14 1 1 A 57 57 ARG C C 57 178.800 178.568 0.232 1
1 733 . 14 1 1 A 57 57 ARG CA C 57 59.000 58.437 0.563 1
1 734 . 14 1 1 A 57 57 ARG CB C 57 30.100 29.691 0.409 1
1 737 . 14 1 1 A 57 57 ARG N N 57 115.500 120.555 -5.055 1
1 738 . 14 1 1 A 58 58 LYS H H 58 7.400 7.773 -0.373 1
1 739 . 14 1 1 A 58 58 LYS HA H 58 4.210 4.181 0.029 1
1 748 . 14 1 1 A 58 58 LYS C C 58 176.800 177.351 -0.551 1
1 749 . 14 1 1 A 58 58 LYS CA C 58 58.100 59.205 -1.105 1
1 750 . 14 1 1 A 58 58 LYS CB C 58 33.100 32.947 0.153 1
1 754 . 14 1 1 A 58 58 LYS N N 58 117.400 118.420 -1.020 1
1 755 . 14 1 1 A 59 59 ASN H H 59 7.630 7.819 -0.189 1
1 756 . 14 1 1 A 59 59 ASN HA H 59 5.310 5.386 -0.076 1
1 761 . 14 1 1 A 59 59 ASN C C 59 174.900 175.083 -0.183 1
1 762 . 14 1 1 A 59 59 ASN CA C 59 52.100 52.346 -0.246 1
1 763 . 14 1 1 A 59 59 ASN CB C 59 40.200 38.651 1.549 1
1 764 . 14 1 1 A 59 59 ASN N N 59 119.200 115.739 3.461 1
1 766 . 14 1 1 A 60 60 LYS H H 60 7.460 8.284 -0.824 1
1 767 . 14 1 1 A 60 60 LYS HA H 60 4.070 4.445 -0.375 1
1 776 . 14 1 1 A 60 60 LYS C C 60 177.900 178.191 -0.291 1
1 777 . 14 1 1 A 60 60 LYS CA C 60 61.100 59.578 1.522 1
1 778 . 14 1 1 A 60 60 LYS CB C 60 33.300 32.054 1.246 1
1 782 . 14 1 1 A 60 60 LYS N N 60 122.700 119.164 3.536 1
1 783 . 14 1 1 A 61 61 GLU H H 61 8.660 8.360 0.300 1
1 784 . 14 1 1 A 61 61 GLU HA H 61 4.080 4.105 -0.025 1
1 789 . 14 1 1 A 61 61 GLU C C 61 178.900 178.614 0.286 1
1 790 . 14 1 1 A 61 61 GLU CA C 61 60.100 59.166 0.934 1
1 791 . 14 1 1 A 61 61 GLU CB C 61 29.100 29.105 -0.005 1
1 793 . 14 1 1 A 61 61 GLU N N 61 117.300 119.596 -2.296 1
1 794 . 14 1 1 A 62 62 PHE H H 62 7.670 7.980 -0.310 1
1 795 . 14 1 1 A 62 62 PHE HA H 62 3.420 3.645 -0.225 1
1 803 . 14 1 1 A 62 62 PHE C C 62 176.200 176.654 -0.454 1
1 804 . 14 1 1 A 62 62 PHE CA C 62 60.900 61.017 -0.117 1
1 805 . 14 1 1 A 62 62 PHE CB C 62 38.300 38.743 -0.443 1
1 811 . 14 1 1 A 62 62 PHE N N 62 119.300 121.604 -2.304 1
1 812 . 14 1 1 A 63 63 TYR H H 63 7.850 8.141 -0.291 1
1 813 . 14 1 1 A 63 63 TYR HA H 63 3.870 4.195 -0.325 1
1 820 . 14 1 1 A 63 63 TYR C C 63 180.200 177.588 2.612 1
1 821 . 14 1 1 A 63 63 TYR CA C 63 63.500 61.810 1.690 1
1 822 . 14 1 1 A 63 63 TYR CB C 63 37.100 37.238 -0.138 1
1 827 . 14 1 1 A 63 63 TYR N N 63 116.500 117.778 -1.278 1
1 828 . 14 1 1 A 64 64 ASP H H 64 9.110 8.494 0.616 1
1 829 . 14 1 1 A 64 64 ASP HA H 64 4.650 4.468 0.182 1
1 832 . 14 1 1 A 64 64 ASP C C 64 178.700 178.678 0.022 1
1 833 . 14 1 1 A 64 64 ASP CA C 64 57.600 57.531 0.069 1
1 834 . 14 1 1 A 64 64 ASP CB C 64 39.800 41.270 -1.470 1
1 835 . 14 1 1 A 64 64 ASP N N 64 126.100 121.058 5.042 1
1 836 . 14 1 1 A 65 65 MET H H 65 7.600 8.203 -0.603 1
1 837 . 14 1 1 A 65 65 MET HA H 65 4.140 4.144 -0.004 1
1 845 . 14 1 1 A 65 65 MET C C 65 178.800 177.881 0.919 1
1 846 . 14 1 1 A 65 65 MET CA C 65 59.300 58.631 0.669 1
1 847 . 14 1 1 A 65 65 MET CB C 65 32.800 32.589 0.211 1
1 850 . 14 1 1 A 65 65 MET N N 65 121.100 117.830 3.270 1
1 851 . 14 1 1 A 66 66 ILE H H 66 7.910 7.726 0.184 1
1 852 . 14 1 1 A 66 66 ILE HA H 66 3.430 3.754 -0.324 1
1 862 . 14 1 1 A 66 66 ILE C C 66 177.000 177.942 -0.942 1
1 863 . 14 1 1 A 66 66 ILE CA C 66 64.500 64.181 0.319 1
1 864 . 14 1 1 A 66 66 ILE CB C 66 36.700 37.446 -0.746 1
1 868 . 14 1 1 A 66 66 ILE N N 66 116.900 116.498 0.402 1
1 869 . 14 1 1 A 67 67 ALA H H 67 7.660 8.507 -0.847 1
1 870 . 14 1 1 A 67 67 ALA HA H 67 3.940 3.897 0.043 1
1 874 . 14 1 1 A 67 67 ALA C C 67 180.200 179.100 1.100 1
1 875 . 14 1 1 A 67 67 ALA CA C 67 55.600 55.684 -0.084 1
1 876 . 14 1 1 A 67 67 ALA CB C 67 18.000 18.193 -0.193 1
1 877 . 14 1 1 A 67 67 ALA N N 67 120.700 123.693 -2.993 1
1 878 . 14 1 1 A 68 68 GLU H H 68 7.660 8.210 -0.550 1
1 879 . 14 1 1 A 68 68 GLU HA H 68 4.040 4.004 0.036 1
1 884 . 14 1 1 A 68 68 GLU C C 68 179.000 179.328 -0.328 1
1 885 . 14 1 1 A 68 68 GLU CA C 68 59.300 59.594 -0.294 1
1 886 . 14 1 1 A 68 68 GLU CB C 68 29.500 29.633 -0.133 1
1 888 . 14 1 1 A 68 68 GLU N N 68 118.700 118.405 0.295 1
1 889 . 14 1 1 A 69 69 ILE H H 69 8.240 7.956 0.284 1
1 890 . 14 1 1 A 69 69 ILE HA H 69 3.630 3.843 -0.213 1
1 900 . 14 1 1 A 69 69 ILE C C 69 178.200 178.650 -0.450 1
1 901 . 14 1 1 A 69 69 ILE CA C 69 65.700 65.162 0.538 1
1 902 . 14 1 1 A 69 69 ILE CB C 69 38.100 37.693 0.407 1
1 906 . 14 1 1 A 69 69 ILE N N 69 120.700 119.582 1.118 1
1 907 . 14 1 1 A 70 70 LEU H H 70 8.770 8.850 -0.080 1
1 908 . 14 1 1 A 70 70 LEU HA H 70 3.960 3.878 0.082 1
1 918 . 14 1 1 A 70 70 LEU C C 70 179.300 179.467 -0.167 1
1 919 . 14 1 1 A 70 70 LEU CA C 70 59.100 58.309 0.791 1
1 920 . 14 1 1 A 70 70 LEU CB C 70 43.000 41.636 1.364 1
1 924 . 14 1 1 A 70 70 LEU N N 70 119.100 120.507 -1.407 1
1 925 . 14 1 1 A 71 71 GLN H H 71 7.660 7.691 -0.031 1
1 926 . 14 1 1 A 71 71 GLN HA H 71 3.960 4.107 -0.147 1
1 933 . 14 1 1 A 71 71 GLN C C 71 177.700 178.712 -1.012 1
1 934 . 14 1 1 A 71 71 GLN CA C 71 59.800 59.133 0.667 1
1 935 . 14 1 1 A 71 71 GLN CB C 71 30.000 28.483 1.517 1
1 937 . 14 1 1 A 71 71 GLN N N 71 114.200 118.349 -4.149 1
1 939 . 14 1 1 A 72 72 ARG H H 72 8.180 8.058 0.122 1
1 940 . 14 1 1 A 72 72 ARG HA H 72 4.000 3.928 0.072 1
1 947 . 14 1 1 A 72 72 ARG C C 72 178.900 177.589 1.311 1
1 948 . 14 1 1 A 72 72 ARG CA C 72 58.900 59.023 -0.123 1
1 949 . 14 1 1 A 72 72 ARG CB C 72 31.100 29.682 1.418 1
1 952 . 14 1 1 A 72 72 ARG N N 72 118.300 120.859 -2.559 1
1 953 . 14 1 1 A 73 73 TYR H H 73 7.970 8.102 -0.132 1
1 954 . 14 1 1 A 73 73 TYR HA H 73 4.800 4.446 0.354 1
1 961 . 14 1 1 A 73 73 TYR C C 73 178.000 177.500 0.500 1
1 962 . 14 1 1 A 73 73 TYR CA C 73 60.100 59.072 1.028 1
1 963 . 14 1 1 A 73 73 TYR CB C 73 41.200 39.977 1.223 1
1 968 . 14 1 1 A 73 73 TYR N N 73 111.500 117.045 -5.545 1
1 969 . 14 1 1 A 74 74 TYR H H 74 8.750 8.023 0.727 1
1 970 . 14 1 1 A 74 74 TYR HA H 74 4.080 4.314 -0.234 1
1 977 . 14 1 1 A 74 74 TYR C C 74 176.600 177.841 -1.241 1
1 978 . 14 1 1 A 74 74 TYR CA C 74 62.400 60.837 1.563 1
1 979 . 14 1 1 A 74 74 TYR CB C 74 36.100 37.818 -1.718 1
1 984 . 14 1 1 A 74 74 TYR N N 74 121.500 121.132 0.368 1
1 985 . 14 1 1 A 75 75 LYS H H 75 7.760 7.533 0.227 1
1 986 . 14 1 1 A 75 75 LYS HA H 75 3.710 3.765 -0.055 1
1 995 . 14 1 1 A 75 75 LYS C C 75 177.500 177.761 -0.261 1
1 996 . 14 1 1 A 75 75 LYS CA C 75 57.600 58.281 -0.681 1
1 997 . 14 1 1 A 75 75 LYS CB C 75 31.800 32.243 -0.443 1
1 1001 . 14 1 1 A 75 75 LYS N N 75 120.300 120.836 -0.536 1
1 1002 . 14 1 1 A 76 76 LYS H H 76 7.510 7.853 -0.343 1
1 1003 . 14 1 1 A 76 76 LYS HA H 76 4.230 4.243 -0.013 1
1 1012 . 14 1 1 A 76 76 LYS C C 76 177.900 178.416 -0.516 1
1 1013 . 14 1 1 A 76 76 LYS CA C 76 58.300 57.548 0.752 1
1 1014 . 14 1 1 A 76 76 LYS CB C 76 33.700 33.521 0.179 1
1 1018 . 14 1 1 A 76 76 LYS N N 76 118.000 117.182 0.818 1
1 1019 . 14 1 1 A 77 77 ILE H H 77 7.610 8.310 -0.700 1
1 1020 . 14 1 1 A 77 77 ILE HA H 77 4.670 4.460 0.210 1
1 1030 . 14 1 1 A 77 77 ILE C C 77 176.000 175.784 0.216 1
1 1031 . 14 1 1 A 77 77 ILE CA C 77 60.600 61.094 -0.494 1
1 1032 . 14 1 1 A 77 77 ILE CB C 77 39.700 40.269 -0.569 1
1 1036 . 14 1 1 A 77 77 ILE N N 77 108.200 111.678 -3.478 1
1 1037 . 14 1 1 A 78 78 GLY H H 78 7.390 7.193 0.197 1
1 1038 . 14 1 1 A 78 78 GLY HA2 H 78 4.730 4.106 0.624 1
1 1039 . 14 1 1 A 78 78 GLY HA3 H 78 3.970 4.124 -0.154 1
1 1040 . 14 1 1 A 78 78 GLY C C 78 175.800 174.851 0.949 1
1 1041 . 14 1 1 A 78 78 GLY CA C 78 44.900 44.708 0.192 1
1 1042 . 14 1 1 A 78 78 GLY N N 78 112.200 109.650 2.550 1
1 1043 . 14 1 1 A 79 79 ILE H H 79 9.030 8.816 0.214 1
1 1044 . 14 1 1 A 79 79 ILE HA H 79 4.080 4.005 0.075 1
1 1054 . 14 1 1 A 79 79 ILE C C 79 174.700 177.854 -3.154 1
1 1055 . 14 1 1 A 79 79 ILE CA C 79 62.900 63.235 -0.335 1
1 1056 . 14 1 1 A 79 79 ILE CB C 79 38.600 37.908 0.692 1
1 1060 . 14 1 1 A 79 79 ILE N N 79 125.700 122.043 3.657 1
1 1061 . 14 1 1 A 80 80 GLU H H 80 9.480 8.424 1.056 1
1 1062 . 14 1 1 A 80 80 GLU HA H 80 4.070 3.939 0.131 1
1 1067 . 14 1 1 A 80 80 GLU C C 80 179.200 179.837 -0.637 1
1 1068 . 14 1 1 A 80 80 GLU CA C 80 59.700 59.952 -0.252 1
1 1069 . 14 1 1 A 80 80 GLU CB C 80 28.100 29.244 -1.144 1
1 1071 . 14 1 1 A 80 80 GLU N N 80 122.400 121.978 0.422 1
1 1072 . 14 1 1 A 81 81 ASN H H 81 7.570 8.010 -0.440 1
1 1073 . 14 1 1 A 81 81 ASN HA H 81 4.580 4.560 0.020 1
1 1078 . 14 1 1 A 81 81 ASN C C 81 177.600 177.982 -0.382 1
1 1079 . 14 1 1 A 81 81 ASN CA C 81 55.600 56.279 -0.679 1
1 1080 . 14 1 1 A 81 81 ASN CB C 81 37.900 38.926 -1.026 1
1 1081 . 14 1 1 A 81 81 ASN N N 81 117.000 118.251 -1.251 1
1 1083 . 14 1 1 A 82 82 VAL H H 82 8.180 8.092 0.088 1
1 1084 . 14 1 1 A 82 82 VAL HA H 82 3.590 3.489 0.101 1
1 1092 . 14 1 1 A 82 82 VAL C C 82 176.900 177.793 -0.893 1
1 1093 . 14 1 1 A 82 82 VAL CA C 82 66.800 66.607 0.193 1
1 1094 . 14 1 1 A 82 82 VAL CB C 82 31.100 31.569 -0.469 1
1 1097 . 14 1 1 A 82 82 VAL N N 82 120.900 120.393 0.507 1
1 1098 . 14 1 1 A 83 83 ASN H H 83 8.440 8.786 -0.346 1
1 1099 . 14 1 1 A 83 83 ASN HA H 83 4.440 4.448 -0.008 1
1 1104 . 14 1 1 A 83 83 ASN C C 83 177.700 177.759 -0.059 1
1 1105 . 14 1 1 A 83 83 ASN CA C 83 56.000 56.486 -0.486 1
1 1106 . 14 1 1 A 83 83 ASN CB C 83 37.000 37.406 -0.406 1
1 1107 . 14 1 1 A 83 83 ASN N N 83 120.500 119.020 1.480 1
1 1109 . 14 1 1 A 84 84 GLN H H 84 7.550 7.497 0.053 1
1 1110 . 14 1 1 A 84 84 GLN HA H 84 4.050 4.122 -0.072 1
1 1117 . 14 1 1 A 84 84 GLN C C 84 179.000 178.710 0.290 1
1 1118 . 14 1 1 A 84 84 GLN CA C 84 58.900 58.786 0.114 1
1 1119 . 14 1 1 A 84 84 GLN CB C 84 28.300 28.221 0.079 1
1 1121 . 14 1 1 A 84 84 GLN N N 84 116.900 119.368 -2.468 1
1 1123 . 14 1 1 A 85 85 LEU H H 85 7.990 8.179 -0.189 1
1 1124 . 14 1 1 A 85 85 LEU HA H 85 4.080 4.107 -0.027 1
1 1134 . 14 1 1 A 85 85 LEU C C 85 180.400 179.132 1.268 1
1 1135 . 14 1 1 A 85 85 LEU CA C 85 58.200 58.095 0.105 1
1 1136 . 14 1 1 A 85 85 LEU CB C 85 41.700 41.627 0.073 1
1 1140 . 14 1 1 A 85 85 LEU N N 85 121.300 119.373 1.927 1
1 1141 . 14 1 1 A 86 86 ILE H H 86 8.630 8.466 0.164 1
1 1142 . 14 1 1 A 86 86 ILE HA H 86 3.560 3.625 -0.065 1
1 1152 . 14 1 1 A 86 86 ILE C C 86 177.700 178.505 -0.805 1
1 1153 . 14 1 1 A 86 86 ILE CA C 86 66.600 65.388 1.212 1
1 1154 . 14 1 1 A 86 86 ILE CB C 86 37.800 37.305 0.495 1
1 1158 . 14 1 1 A 86 86 ILE N N 86 122.000 120.213 1.787 1
1 1159 . 14 1 1 A 87 87 LEU H H 87 8.200 8.195 0.005 1
1 1160 . 14 1 1 A 87 87 LEU HA H 87 4.010 4.025 -0.015 1
1 1170 . 14 1 1 A 87 87 LEU C C 87 179.000 178.844 0.156 1
1 1171 . 14 1 1 A 87 87 LEU CA C 87 58.200 58.194 0.006 1
1 1172 . 14 1 1 A 87 87 LEU CB C 87 40.800 41.422 -0.622 1
1 1176 . 14 1 1 A 87 87 LEU N N 87 118.300 118.629 -0.329 1
1 1177 . 14 1 1 A 88 88 THR H H 88 8.420 8.373 0.047 1
1 1178 . 14 1 1 A 88 88 THR HA H 88 4.000 4.062 -0.062 1
1 1183 . 14 1 1 A 88 88 THR C C 88 176.300 176.990 -0.690 1
1 1184 . 14 1 1 A 88 88 THR CA C 88 66.500 66.126 0.374 1
1 1185 . 14 1 1 A 88 88 THR CB C 88 69.400 68.191 1.209 1
1 1187 . 14 1 1 A 88 88 THR N N 88 112.700 115.801 -3.101 1
1 1188 . 14 1 1 A 89 89 THR H H 89 7.690 8.109 -0.419 1
1 1189 . 14 1 1 A 89 89 THR HA H 89 4.040 4.077 -0.037 1
1 1194 . 14 1 1 A 89 89 THR C C 89 175.500 175.992 -0.492 1
1 1195 . 14 1 1 A 89 89 THR CA C 89 67.100 66.562 0.538 1
1 1196 . 14 1 1 A 89 89 THR CB C 89 68.500 68.368 0.132 1
1 1198 . 14 1 1 A 89 89 THR N N 89 116.600 116.602 -0.002 1
1 1199 . 14 1 1 A 90 90 ILE H H 90 8.330 7.502 0.828 1
1 1200 . 14 1 1 A 90 90 ILE HA H 90 4.420 4.484 -0.064 1
1 1210 . 14 1 1 A 90 90 ILE C C 90 175.700 176.168 -0.468 1
1 1211 . 14 1 1 A 90 90 ILE CA C 90 62.000 61.689 0.311 1
1 1212 . 14 1 1 A 90 90 ILE CB C 90 38.500 37.984 0.516 1
1 1216 . 14 1 1 A 90 90 ILE N N 90 125.300 111.861 13.439 1
1 1217 . 14 1 1 A 91 91 LYS H H 91 7.450 7.363 0.087 1
1 1218 . 14 1 1 A 91 91 LYS HA H 91 3.970 4.410 -0.440 1
1 1227 . 14 1 1 A 91 91 LYS CA C 91 57.200 56.017 1.183 1
1 1228 . 14 1 1 A 91 91 LYS CB C 91 32.900 30.557 2.343 1
1 1 . 15 1 1 A 3 3 ILE H H 3 8.310 8.447 -0.137 1
1 2 . 15 1 1 A 3 3 ILE HA H 3 3.740 3.960 -0.220 1
1 12 . 15 1 1 A 3 3 ILE C C 3 175.200 176.682 -1.482 1
1 13 . 15 1 1 A 3 3 ILE CA C 3 64.200 60.368 3.832 1
1 14 . 15 1 1 A 3 3 ILE CB C 3 37.400 40.615 -3.215 1
1 18 . 15 1 1 A 3 3 ILE N N 3 124.900 127.417 -2.517 1
1 19 . 15 1 1 A 4 4 LEU H H 4 7.270 7.497 -0.227 1
1 20 . 15 1 1 A 4 4 LEU HA H 4 3.680 4.273 -0.593 1
1 30 . 15 1 1 A 4 4 LEU C C 4 177.300 178.858 -1.558 1
1 31 . 15 1 1 A 4 4 LEU CA C 4 56.300 56.611 -0.311 1
1 32 . 15 1 1 A 4 4 LEU CB C 4 41.100 41.259 -0.159 1
1 36 . 15 1 1 A 4 4 LEU N N 4 116.100 122.617 -6.517 1
1 37 . 15 1 1 A 5 5 GLU H H 5 7.350 7.880 -0.530 1
1 38 . 15 1 1 A 5 5 GLU HA H 5 4.290 4.259 0.031 1
1 43 . 15 1 1 A 5 5 GLU C C 5 176.300 176.568 -0.268 1
1 44 . 15 1 1 A 5 5 GLU CA C 5 55.200 59.485 -4.285 1
1 45 . 15 1 1 A 5 5 GLU CB C 5 30.000 29.494 0.506 1
1 47 . 15 1 1 A 5 5 GLU N N 5 114.200 117.451 -3.251 1
1 48 . 15 1 1 A 6 6 ASP H H 6 7.860 7.815 0.045 1
1 49 . 15 1 1 A 6 6 ASP HA H 6 4.830 4.950 -0.120 1
1 52 . 15 1 1 A 6 6 ASP C C 6 175.500 176.086 -0.586 1
1 53 . 15 1 1 A 6 6 ASP CA C 6 53.000 51.908 1.092 1
1 54 . 15 1 1 A 6 6 ASP CB C 6 40.800 42.319 -1.519 1
1 55 . 15 1 1 A 6 6 ASP N N 6 125.000 121.419 3.581 1
1 56 . 15 1 1 A 7 7 PRO HA H 7 4.240 4.321 -0.081 1
1 63 . 15 1 1 A 7 7 PRO C C 7 179.000 178.849 0.151 1
1 64 . 15 1 1 A 7 7 PRO CA C 7 65.700 65.070 0.630 1
1 65 . 15 1 1 A 7 7 PRO CB C 7 32.300 32.047 0.253 1
1 68 . 15 1 1 A 8 8 GLU H H 8 9.250 8.661 0.589 1
1 69 . 15 1 1 A 8 8 GLU HA H 8 4.120 4.106 0.014 1
1 74 . 15 1 1 A 8 8 GLU C C 8 178.100 179.026 -0.926 1
1 75 . 15 1 1 A 8 8 GLU CA C 8 60.000 59.050 0.950 1
1 76 . 15 1 1 A 8 8 GLU CB C 8 29.200 29.345 -0.145 1
1 78 . 15 1 1 A 8 8 GLU N N 8 117.600 118.226 -0.626 1
1 79 . 15 1 1 A 9 9 PHE H H 9 7.640 8.091 -0.451 1
1 80 . 15 1 1 A 9 9 PHE HA H 9 4.130 4.034 0.096 1
1 87 . 15 1 1 A 9 9 PHE C C 9 178.600 177.730 0.870 1
1 88 . 15 1 1 A 9 9 PHE CA C 9 62.200 61.257 0.943 1
1 89 . 15 1 1 A 9 9 PHE CB C 9 40.400 39.303 1.097 1
1 94 . 15 1 1 A 9 9 PHE N N 9 118.200 122.300 -4.100 1
1 95 . 15 1 1 A 10 10 VAL H H 10 8.220 8.166 0.054 1
1 96 . 15 1 1 A 10 10 VAL HA H 10 3.590 3.819 -0.229 1
1 104 . 15 1 1 A 10 10 VAL C C 10 179.400 177.725 1.675 1
1 105 . 15 1 1 A 10 10 VAL CA C 10 66.800 64.548 2.252 1
1 106 . 15 1 1 A 10 10 VAL CB C 10 31.700 31.309 0.391 1
1 109 . 15 1 1 A 10 10 VAL N N 10 120.300 118.843 1.457 1
1 110 . 15 1 1 A 11 11 LYS H H 11 7.760 7.537 0.223 1
1 111 . 15 1 1 A 11 11 LYS HA H 11 4.050 3.969 0.081 1
1 120 . 15 1 1 A 11 11 LYS C C 11 179.000 179.713 -0.713 1
1 121 . 15 1 1 A 11 11 LYS CA C 11 59.300 60.074 -0.774 1
1 122 . 15 1 1 A 11 11 LYS CB C 11 32.600 32.449 0.151 1
1 126 . 15 1 1 A 11 11 LYS N N 11 119.600 122.810 -3.210 1
1 127 . 15 1 1 A 12 12 LEU H H 12 7.750 8.239 -0.489 1
1 128 . 15 1 1 A 12 12 LEU HA H 12 4.190 4.021 0.169 1
1 138 . 15 1 1 A 12 12 LEU C C 12 178.400 179.390 -0.990 1
1 139 . 15 1 1 A 12 12 LEU CA C 12 57.800 57.969 -0.169 1
1 140 . 15 1 1 A 12 12 LEU CB C 12 41.900 41.438 0.462 1
1 144 . 15 1 1 A 12 12 LEU N N 12 119.900 120.074 -0.174 1
1 145 . 15 1 1 A 13 13 ARG H H 13 7.600 8.036 -0.436 1
1 146 . 15 1 1 A 13 13 ARG HA H 13 3.940 3.832 0.108 1
1 153 . 15 1 1 A 13 13 ARG C C 13 178.600 179.056 -0.456 1
1 154 . 15 1 1 A 13 13 ARG CA C 13 59.000 59.727 -0.727 1
1 155 . 15 1 1 A 13 13 ARG CB C 13 30.200 29.791 0.409 1
1 158 . 15 1 1 A 13 13 ARG N N 13 115.300 118.864 -3.564 1
1 159 . 15 1 1 A 14 14 GLN H H 14 7.770 7.571 0.199 1
1 160 . 15 1 1 A 14 14 GLN HA H 14 4.130 4.206 -0.076 1
1 167 . 15 1 1 A 14 14 GLN C C 14 176.500 178.189 -1.689 1
1 168 . 15 1 1 A 14 14 GLN CA C 14 57.100 58.349 -1.249 1
1 169 . 15 1 1 A 14 14 GLN CB C 14 28.200 28.547 -0.347 1
1 171 . 15 1 1 A 14 14 GLN N N 14 116.400 118.900 -2.500 1
1 173 . 15 1 1 A 15 15 PHE H H 15 8.030 8.253 -0.223 1
1 174 . 15 1 1 A 15 15 PHE HA H 15 4.220 4.094 0.126 1
1 181 . 15 1 1 A 15 15 PHE C C 15 175.200 175.406 -0.206 1
1 182 . 15 1 1 A 15 15 PHE CA C 15 59.100 61.256 -2.156 1
1 183 . 15 1 1 A 15 15 PHE CB C 15 38.800 39.553 -0.753 1
1 188 . 15 1 1 A 15 15 PHE N N 15 116.800 121.934 -5.134 1
1 189 . 15 1 1 A 16 16 LYS H H 16 7.470 8.499 -1.029 1
1 190 . 15 1 1 A 16 16 LYS HA H 16 4.190 4.254 -0.064 1
1 191 . 15 1 1 A 16 16 LYS CA C 16 58.400 57.024 1.376 1
1 192 . 15 1 1 A 16 16 LYS CB C 16 33.300 31.376 1.924 1
1 193 . 15 1 1 A 16 16 LYS N N 16 122.500 118.584 3.916 1
1 194 . 15 1 1 A 17 17 GLY HA2 H 17 3.920 3.232 0.688 1
1 195 . 15 1 1 A 17 17 GLY HA3 H 17 4.210 3.707 0.503 1
1 196 . 15 1 1 A 17 17 GLY C C 17 174.300 174.142 0.158 1
1 197 . 15 1 1 A 17 17 GLY CA C 17 46.200 44.776 1.424 1
1 198 . 15 1 1 A 18 18 LYS H H 18 8.230 8.127 0.103 1
1 199 . 15 1 1 A 18 18 LYS HA H 18 4.550 4.348 0.202 1
1 208 . 15 1 1 A 18 18 LYS C C 18 175.800 175.968 -0.168 1
1 209 . 15 1 1 A 18 18 LYS CA C 18 56.100 55.825 0.275 1
1 210 . 15 1 1 A 18 18 LYS CB C 18 33.700 32.301 1.399 1
1 214 . 15 1 1 A 18 18 LYS N N 18 118.100 124.716 -6.616 1
1 215 . 15 1 1 A 19 19 VAL H H 19 7.150 7.056 0.094 1
1 216 . 15 1 1 A 19 19 VAL HA H 19 4.400 4.603 -0.203 1
1 224 . 15 1 1 A 19 19 VAL CA C 19 58.800 60.227 -1.427 1
1 225 . 15 1 1 A 19 19 VAL CB C 19 34.300 33.765 0.535 1
1 228 . 15 1 1 A 19 19 VAL N N 19 111.100 116.607 -5.507 1
1 229 . 15 1 1 A 20 20 ASN HA H 20 4.660 4.754 -0.094 1
1 234 . 15 1 1 A 20 20 ASN C C 20 174.600 176.585 -1.985 1
1 235 . 15 1 1 A 20 20 ASN CA C 20 52.700 53.536 -0.836 1
1 236 . 15 1 1 A 20 20 ASN CB C 20 37.900 39.846 -1.946 1
1 238 . 15 1 1 A 21 21 PHE H H 21 8.580 9.185 -0.605 1
1 239 . 15 1 1 A 21 21 PHE HA H 21 3.730 4.026 -0.296 1
1 247 . 15 1 1 A 21 21 PHE C C 21 175.300 177.074 -1.774 1
1 248 . 15 1 1 A 21 21 PHE CA C 21 62.500 62.396 0.104 1
1 249 . 15 1 1 A 21 21 PHE CB C 21 40.400 39.547 0.853 1
1 255 . 15 1 1 A 21 21 PHE N N 21 128.200 127.958 0.242 1
1 256 . 15 1 1 A 22 22 ASN H H 22 8.220 8.513 -0.293 1
1 257 . 15 1 1 A 22 22 ASN HA H 22 4.300 4.394 -0.094 1
1 262 . 15 1 1 A 22 22 ASN C C 22 177.800 177.985 -0.185 1
1 263 . 15 1 1 A 22 22 ASN CA C 22 56.400 56.552 -0.152 1
1 264 . 15 1 1 A 22 22 ASN CB C 22 37.900 38.014 -0.114 1
1 265 . 15 1 1 A 22 22 ASN N N 22 114.600 117.736 -3.136 1
1 267 . 15 1 1 A 23 23 LEU H H 23 7.440 7.531 -0.091 1
1 268 . 15 1 1 A 23 23 LEU HA H 23 4.190 4.045 0.145 1
1 278 . 15 1 1 A 23 23 LEU C C 23 177.800 178.688 -0.888 1
1 279 . 15 1 1 A 23 23 LEU CA C 23 56.900 57.742 -0.842 1
1 280 . 15 1 1 A 23 23 LEU CB C 23 41.400 41.928 -0.528 1
1 284 . 15 1 1 A 23 23 LEU N N 23 122.500 120.519 1.981 1
1 285 . 15 1 1 A 24 24 VAL H H 24 7.930 8.186 -0.256 1
1 286 . 15 1 1 A 24 24 VAL HA H 24 3.560 3.588 -0.028 1
1 294 . 15 1 1 A 24 24 VAL C C 24 177.500 177.773 -0.273 1
1 295 . 15 1 1 A 24 24 VAL CA C 24 67.200 67.058 0.142 1
1 296 . 15 1 1 A 24 24 VAL CB C 24 31.000 31.459 -0.459 1
1 299 . 15 1 1 A 24 24 VAL N N 24 119.400 118.996 0.404 1
1 300 . 15 1 1 A 25 25 MET H H 25 8.020 8.085 -0.065 1
1 301 . 15 1 1 A 25 25 MET HA H 25 3.640 3.966 -0.326 1
1 309 . 15 1 1 A 25 25 MET C C 25 176.800 178.080 -1.280 1
1 310 . 15 1 1 A 25 25 MET CA C 25 60.000 58.337 1.663 1
1 311 . 15 1 1 A 25 25 MET CB C 25 32.900 31.310 1.590 1
1 314 . 15 1 1 A 25 25 MET N N 25 116.600 118.340 -1.740 1
1 315 . 15 1 1 A 26 26 GLN H H 26 7.530 7.941 -0.411 1
1 316 . 15 1 1 A 26 26 GLN HA H 26 4.050 4.037 0.013 1
1 323 . 15 1 1 A 26 26 GLN C C 26 177.800 178.587 -0.787 1
1 324 . 15 1 1 A 26 26 GLN CA C 26 59.100 58.756 0.344 1
1 325 . 15 1 1 A 26 26 GLN CB C 26 28.100 28.238 -0.138 1
1 327 . 15 1 1 A 26 26 GLN N N 26 118.200 118.498 -0.298 1
1 329 . 15 1 1 A 27 27 ILE H H 27 8.230 8.385 -0.155 1
1 330 . 15 1 1 A 27 27 ILE HA H 27 3.350 3.530 -0.180 1
1 340 . 15 1 1 A 27 27 ILE C C 27 177.700 178.223 -0.523 1
1 341 . 15 1 1 A 27 27 ILE CA C 27 65.900 65.903 -0.003 1
1 342 . 15 1 1 A 27 27 ILE CB C 27 37.900 38.345 -0.445 1
1 346 . 15 1 1 A 27 27 ILE N N 27 120.700 120.840 -0.140 1
1 347 . 15 1 1 A 28 28 LEU H H 28 8.550 8.333 0.217 1
1 348 . 15 1 1 A 28 28 LEU HA H 28 4.020 3.958 0.062 1
1 358 . 15 1 1 A 28 28 LEU C C 28 179.900 179.440 0.460 1
1 359 . 15 1 1 A 28 28 LEU CA C 28 58.400 58.152 0.248 1
1 360 . 15 1 1 A 28 28 LEU CB C 28 39.700 40.882 -1.182 1
1 364 . 15 1 1 A 28 28 LEU N N 28 118.900 118.468 0.432 1
1 365 . 15 1 1 A 29 29 ASP H H 29 8.470 8.384 0.086 1
1 366 . 15 1 1 A 29 29 ASP HA H 29 4.440 4.271 0.169 1
1 369 . 15 1 1 A 29 29 ASP C C 29 179.600 178.401 1.199 1
1 370 . 15 1 1 A 29 29 ASP CA C 29 57.400 57.641 -0.241 1
1 371 . 15 1 1 A 29 29 ASP CB C 29 40.400 41.362 -0.962 1
1 372 . 15 1 1 A 29 29 ASP N N 29 120.700 119.634 1.066 1
1 373 . 15 1 1 A 30 30 GLU H H 30 8.630 8.584 0.046 1
1 374 . 15 1 1 A 30 30 GLU HA H 30 3.980 4.069 -0.089 1
1 379 . 15 1 1 A 30 30 GLU C C 30 180.600 178.823 1.777 1
1 380 . 15 1 1 A 30 30 GLU CA C 30 60.000 59.116 0.884 1
1 381 . 15 1 1 A 30 30 GLU CB C 30 29.900 29.615 0.285 1
1 383 . 15 1 1 A 30 30 GLU N N 30 120.800 119.100 1.700 1
1 384 . 15 1 1 A 31 31 ILE H H 31 8.520 7.858 0.662 1
1 385 . 15 1 1 A 31 31 ILE HA H 31 3.540 3.844 -0.304 1
1 395 . 15 1 1 A 31 31 ILE C C 31 176.400 177.981 -1.581 1
1 396 . 15 1 1 A 31 31 ILE CA C 31 66.600 63.848 2.752 1
1 397 . 15 1 1 A 31 31 ILE CB C 31 37.800 37.448 0.352 1
1 401 . 15 1 1 A 31 31 ILE N N 31 123.100 119.724 3.376 1
1 402 . 15 1 1 A 32 32 GLU H H 32 8.070 8.115 -0.045 1
1 403 . 15 1 1 A 32 32 GLU HA H 32 3.730 3.966 -0.236 1
1 408 . 15 1 1 A 32 32 GLU C C 32 178.400 179.071 -0.671 1
1 409 . 15 1 1 A 32 32 GLU CA C 32 60.800 59.348 1.452 1
1 410 . 15 1 1 A 32 32 GLU CB C 32 28.800 29.472 -0.672 1
1 412 . 15 1 1 A 32 32 GLU N N 32 120.300 121.224 -0.924 1
1 413 . 15 1 1 A 33 33 LEU H H 33 8.160 8.139 0.021 1
1 414 . 15 1 1 A 33 33 LEU HA H 33 3.980 3.976 0.004 1
1 424 . 15 1 1 A 33 33 LEU C C 33 180.100 178.211 1.889 1
1 425 . 15 1 1 A 33 33 LEU CA C 33 58.000 58.003 -0.003 1
1 426 . 15 1 1 A 33 33 LEU CB C 33 42.100 41.056 1.044 1
1 430 . 15 1 1 A 33 33 LEU N N 33 117.900 119.658 -1.758 1
1 431 . 15 1 1 A 34 34 ASP H H 34 8.200 8.003 0.197 1
1 432 . 15 1 1 A 34 34 ASP HA H 34 4.290 4.385 -0.095 1
1 435 . 15 1 1 A 34 34 ASP C C 34 178.600 178.299 0.301 1
1 436 . 15 1 1 A 34 34 ASP CA C 34 58.200 57.573 0.627 1
1 437 . 15 1 1 A 34 34 ASP CB C 34 42.800 41.127 1.673 1
1 438 . 15 1 1 A 34 34 ASP N N 34 120.500 119.968 0.532 1
1 439 . 15 1 1 A 35 35 LEU H H 35 8.630 8.330 0.300 1
1 440 . 15 1 1 A 35 35 LEU HA H 35 4.360 3.982 0.378 1
1 450 . 15 1 1 A 35 35 LEU C C 35 179.000 176.654 2.346 1
1 451 . 15 1 1 A 35 35 LEU CA C 35 56.400 58.195 -1.795 1
1 452 . 15 1 1 A 35 35 LEU CB C 35 42.800 41.709 1.091 1
1 456 . 15 1 1 A 35 35 LEU N N 35 121.300 120.619 0.681 1
1 457 . 15 1 1 A 36 36 ARG H H 36 7.410 8.240 -0.830 1
1 458 . 15 1 1 A 36 36 ARG HA H 36 4.050 3.820 0.230 1
1 465 . 15 1 1 A 36 36 ARG C C 36 177.800 176.203 1.597 1
1 466 . 15 1 1 A 36 36 ARG CA C 36 59.000 58.843 0.157 1
1 467 . 15 1 1 A 36 36 ARG CB C 36 30.000 28.146 1.854 1
1 470 . 15 1 1 A 36 36 ARG N N 36 117.000 117.722 -0.722 1
1 471 . 15 1 1 A 37 37 GLY H H 37 7.580 8.716 -1.136 1
1 472 . 15 1 1 A 37 37 GLY HA2 H 37 3.830 4.074 -0.244 1
1 473 . 15 1 1 A 37 37 GLY HA3 H 37 4.280 4.113 0.167 1
1 474 . 15 1 1 A 37 37 GLY C C 37 174.800 175.022 -0.222 1
1 475 . 15 1 1 A 37 37 GLY CA C 37 45.200 45.533 -0.333 1
1 476 . 15 1 1 A 37 37 GLY N N 37 103.600 107.278 -3.678 1
1 477 . 15 1 1 A 38 38 SER H H 38 8.380 8.346 0.034 1
1 478 . 15 1 1 A 38 38 SER HA H 38 4.330 4.176 0.154 1
1 481 . 15 1 1 A 38 38 SER C C 38 175.100 174.305 0.795 1
1 482 . 15 1 1 A 38 38 SER CA C 38 58.700 61.274 -2.574 1
1 483 . 15 1 1 A 38 38 SER CB C 38 63.800 62.708 1.092 1
1 484 . 15 1 1 A 38 38 SER N N 38 117.800 114.254 3.546 1
1 485 . 15 1 1 A 39 39 ASP H H 39 8.520 7.662 0.858 1
1 486 . 15 1 1 A 39 39 ASP HA H 39 4.470 4.754 -0.284 1
1 489 . 15 1 1 A 39 39 ASP C C 39 175.300 174.912 0.388 1
1 490 . 15 1 1 A 39 39 ASP CA C 39 55.400 52.589 2.811 1
1 491 . 15 1 1 A 39 39 ASP CB C 39 41.500 42.943 -1.443 1
1 492 . 15 1 1 A 39 39 ASP N N 39 120.500 121.557 -1.057 1
1 493 . 15 1 1 A 40 40 ASN H H 40 8.230 8.608 -0.378 1
1 494 . 15 1 1 A 40 40 ASN HA H 40 4.800 5.137 -0.337 1
1 499 . 15 1 1 A 40 40 ASN C C 40 174.600 175.483 -0.883 1
1 500 . 15 1 1 A 40 40 ASN CA C 40 52.900 51.977 0.923 1
1 501 . 15 1 1 A 40 40 ASN CB C 40 39.500 40.128 -0.628 1
1 502 . 15 1 1 A 40 40 ASN N N 40 116.100 118.913 -2.813 1
1 504 . 15 1 1 A 41 41 ILE H H 41 8.340 8.751 -0.411 1
1 505 . 15 1 1 A 41 41 ILE HA H 41 3.840 3.862 -0.022 1
1 515 . 15 1 1 A 41 41 ILE C C 41 175.000 177.432 -2.432 1
1 516 . 15 1 1 A 41 41 ILE CA C 41 62.500 63.345 -0.845 1
1 517 . 15 1 1 A 41 41 ILE CB C 41 37.600 37.581 0.019 1
1 521 . 15 1 1 A 41 41 ILE N N 41 124.800 127.467 -2.667 1
1 522 . 15 1 1 A 42 42 LYS H H 42 7.790 8.176 -0.386 1
1 523 . 15 1 1 A 42 42 LYS HA H 42 3.780 3.998 -0.218 1
1 532 . 15 1 1 A 42 42 LYS C C 42 178.300 178.885 -0.585 1
1 533 . 15 1 1 A 42 42 LYS CA C 42 60.200 58.900 1.300 1
1 534 . 15 1 1 A 42 42 LYS CB C 42 31.800 31.491 0.309 1
1 538 . 15 1 1 A 42 42 LYS N N 42 122.100 120.323 1.777 1
1 539 . 15 1 1 A 43 43 THR H H 43 7.500 7.972 -0.472 1
1 540 . 15 1 1 A 43 43 THR HA H 43 3.790 3.726 0.064 1
1 545 . 15 1 1 A 43 43 THR C C 43 177.100 175.913 1.187 1
1 546 . 15 1 1 A 43 43 THR CA C 43 65.900 66.548 -0.648 1
1 547 . 15 1 1 A 43 43 THR CB C 43 68.400 68.398 0.002 1
1 549 . 15 1 1 A 43 43 THR N N 43 112.900 117.524 -4.624 1
1 550 . 15 1 1 A 44 44 SER H H 44 7.860 7.971 -0.111 1
1 551 . 15 1 1 A 44 44 SER HA H 44 4.570 4.348 0.222 1
1 554 . 15 1 1 A 44 44 SER C C 44 175.100 175.951 -0.851 1
1 555 . 15 1 1 A 44 44 SER CA C 44 63.600 62.294 1.306 1
1 556 . 15 1 1 A 44 44 SER CB C 44 63.900 62.983 0.917 1
1 557 . 15 1 1 A 44 44 SER N N 44 119.700 117.358 2.342 1
1 558 . 15 1 1 A 45 45 ILE H H 45 8.240 7.959 0.281 1
1 559 . 15 1 1 A 45 45 ILE HA H 45 3.140 3.425 -0.285 1
1 569 . 15 1 1 A 45 45 ILE C C 45 176.500 178.114 -1.614 1
1 570 . 15 1 1 A 45 45 ILE CA C 45 66.200 64.547 1.653 1
1 571 . 15 1 1 A 45 45 ILE CB C 45 37.800 37.582 0.218 1
1 575 . 15 1 1 A 45 45 ILE N N 45 121.300 120.697 0.603 1
1 576 . 15 1 1 A 46 46 ILE H H 46 7.680 7.549 0.131 1
1 577 . 15 1 1 A 46 46 ILE HA H 46 3.480 3.410 0.070 1
1 587 . 15 1 1 A 46 46 ILE C C 46 178.900 177.721 1.179 1
1 588 . 15 1 1 A 46 46 ILE CA C 46 65.300 65.049 0.251 1
1 589 . 15 1 1 A 46 46 ILE CB C 46 37.800 37.678 0.122 1
1 593 . 15 1 1 A 46 46 ILE N N 46 117.100 119.855 -2.755 1
1 594 . 15 1 1 A 47 47 TYR H H 47 8.400 7.454 0.946 1
1 595 . 15 1 1 A 47 47 TYR HA H 47 4.190 4.477 -0.287 1
1 602 . 15 1 1 A 47 47 TYR C C 47 178.700 178.611 0.089 1
1 603 . 15 1 1 A 47 47 TYR CA C 47 61.300 60.708 0.592 1
1 604 . 15 1 1 A 47 47 TYR CB C 47 38.400 37.761 0.639 1
1 609 . 15 1 1 A 47 47 TYR N N 47 120.900 119.755 1.145 1
1 610 . 15 1 1 A 48 48 VAL H H 48 8.480 7.841 0.639 1
1 611 . 15 1 1 A 48 48 VAL HA H 48 3.560 3.832 -0.272 1
1 619 . 15 1 1 A 48 48 VAL C C 48 179.600 177.900 1.700 1
1 620 . 15 1 1 A 48 48 VAL CA C 48 67.000 66.242 0.758 1
1 621 . 15 1 1 A 48 48 VAL CB C 48 31.700 31.865 -0.165 1
1 624 . 15 1 1 A 48 48 VAL N N 48 121.600 119.611 1.989 1
1 625 . 15 1 1 A 49 49 TYR H H 49 9.630 8.215 1.415 1
1 626 . 15 1 1 A 49 49 TYR HA H 49 4.080 4.135 -0.055 1
1 633 . 15 1 1 A 49 49 TYR C C 49 179.300 179.166 0.134 1
1 634 . 15 1 1 A 49 49 TYR CA C 49 59.900 60.601 -0.701 1
1 635 . 15 1 1 A 49 49 TYR CB C 49 35.300 37.637 -2.337 1
1 640 . 15 1 1 A 49 49 TYR N N 49 122.000 119.425 2.575 1
1 641 . 15 1 1 A 50 50 SER H H 50 8.120 8.712 -0.592 1
1 642 . 15 1 1 A 50 50 SER HA H 50 4.130 4.301 -0.171 1
1 645 . 15 1 1 A 50 50 SER C C 50 175.700 176.391 -0.691 1
1 646 . 15 1 1 A 50 50 SER CA C 50 62.000 61.051 0.949 1
1 647 . 15 1 1 A 50 50 SER CB C 50 62.900 62.730 0.170 1
1 648 . 15 1 1 A 50 50 SER N N 50 112.600 117.146 -4.546 1
1 649 . 15 1 1 A 51 51 SER H H 51 7.510 7.655 -0.145 1
1 650 . 15 1 1 A 51 51 SER HA H 51 4.350 4.428 -0.078 1
1 653 . 15 1 1 A 51 51 SER C C 51 173.600 175.694 -2.094 1
1 654 . 15 1 1 A 51 51 SER CA C 51 59.500 61.310 -1.810 1
1 655 . 15 1 1 A 51 51 SER CB C 51 63.300 63.469 -0.169 1
1 656 . 15 1 1 A 51 51 SER N N 51 116.800 116.077 0.723 1
1 657 . 15 1 1 A 52 52 HIS H H 52 7.590 8.224 -0.634 1
1 658 . 15 1 1 A 52 52 HIS HA H 52 4.890 4.833 0.057 1
1 663 . 15 1 1 A 52 52 HIS C C 52 175.200 175.562 -0.362 1
1 664 . 15 1 1 A 52 52 HIS CA C 52 54.100 54.649 -0.549 1
1 665 . 15 1 1 A 52 52 HIS CB C 52 29.500 28.733 0.767 1
1 668 . 15 1 1 A 52 52 HIS N N 52 120.500 117.286 3.214 1
1 669 . 15 1 1 A 53 53 LEU H H 53 7.440 7.772 -0.332 1
1 670 . 15 1 1 A 53 53 LEU HA H 53 3.870 3.726 0.144 1
1 680 . 15 1 1 A 53 53 LEU C C 53 177.900 178.392 -0.492 1
1 681 . 15 1 1 A 53 53 LEU CA C 53 59.100 58.144 0.956 1
1 682 . 15 1 1 A 53 53 LEU CB C 53 42.300 41.231 1.069 1
1 686 . 15 1 1 A 53 53 LEU N N 53 121.400 121.112 0.288 1
1 687 . 15 1 1 A 54 54 ASP H H 54 8.400 8.130 0.270 1
1 688 . 15 1 1 A 54 54 ASP HA H 54 4.290 4.249 0.041 1
1 691 . 15 1 1 A 54 54 ASP C C 54 177.900 179.033 -1.133 1
1 692 . 15 1 1 A 54 54 ASP CA C 54 57.600 57.641 -0.041 1
1 693 . 15 1 1 A 54 54 ASP CB C 54 40.200 42.107 -1.907 1
1 694 . 15 1 1 A 54 54 ASP N N 54 115.900 119.470 -3.570 1
1 695 . 15 1 1 A 55 55 GLU H H 55 7.500 7.590 -0.090 1
1 696 . 15 1 1 A 55 55 GLU HA H 55 4.310 4.206 0.104 1
1 701 . 15 1 1 A 55 55 GLU C C 55 178.300 179.276 -0.976 1
1 702 . 15 1 1 A 55 55 GLU CA C 55 57.800 58.780 -0.980 1
1 703 . 15 1 1 A 55 55 GLU CB C 55 29.100 29.326 -0.226 1
1 705 . 15 1 1 A 55 55 GLU N N 55 120.100 118.986 1.114 1
1 706 . 15 1 1 A 56 56 ILE H H 56 7.720 7.529 0.191 1
1 707 . 15 1 1 A 56 56 ILE HA H 56 3.440 3.174 0.266 1
1 717 . 15 1 1 A 56 56 ILE C C 56 178.600 178.145 0.455 1
1 718 . 15 1 1 A 56 56 ILE CA C 56 62.500 65.318 -2.818 1
1 719 . 15 1 1 A 56 56 ILE CB C 56 36.200 37.409 -1.209 1
1 723 . 15 1 1 A 56 56 ILE N N 56 119.600 120.354 -0.754 1
1 724 . 15 1 1 A 57 57 ARG H H 57 8.200 8.273 -0.073 1
1 725 . 15 1 1 A 57 57 ARG HA H 57 3.930 4.063 -0.133 1
1 732 . 15 1 1 A 57 57 ARG C C 57 178.800 179.115 -0.315 1
1 733 . 15 1 1 A 57 57 ARG CA C 57 59.000 58.993 0.007 1
1 734 . 15 1 1 A 57 57 ARG CB C 57 30.100 29.482 0.618 1
1 737 . 15 1 1 A 57 57 ARG N N 57 115.500 120.449 -4.949 1
1 738 . 15 1 1 A 58 58 LYS H H 58 7.400 7.456 -0.056 1
1 739 . 15 1 1 A 58 58 LYS HA H 58 4.210 4.194 0.016 1
1 748 . 15 1 1 A 58 58 LYS C C 58 176.800 177.406 -0.606 1
1 749 . 15 1 1 A 58 58 LYS CA C 58 58.100 59.616 -1.516 1
1 750 . 15 1 1 A 58 58 LYS CB C 58 33.100 32.184 0.916 1
1 754 . 15 1 1 A 58 58 LYS N N 58 117.400 119.750 -2.350 1
1 755 . 15 1 1 A 59 59 ASN H H 59 7.630 7.511 0.119 1
1 756 . 15 1 1 A 59 59 ASN HA H 59 5.310 5.346 -0.036 1
1 761 . 15 1 1 A 59 59 ASN C C 59 174.900 175.133 -0.233 1
1 762 . 15 1 1 A 59 59 ASN CA C 59 52.100 52.375 -0.275 1
1 763 . 15 1 1 A 59 59 ASN CB C 59 40.200 38.504 1.696 1
1 764 . 15 1 1 A 59 59 ASN N N 59 119.200 115.812 3.388 1
1 766 . 15 1 1 A 60 60 LYS H H 60 7.460 8.338 -0.878 1
1 767 . 15 1 1 A 60 60 LYS HA H 60 4.070 4.267 -0.197 1
1 776 . 15 1 1 A 60 60 LYS C C 60 177.900 178.277 -0.377 1
1 777 . 15 1 1 A 60 60 LYS CA C 60 61.100 59.504 1.596 1
1 778 . 15 1 1 A 60 60 LYS CB C 60 33.300 32.017 1.283 1
1 782 . 15 1 1 A 60 60 LYS N N 60 122.700 119.228 3.472 1
1 783 . 15 1 1 A 61 61 GLU H H 61 8.660 7.999 0.661 1
1 784 . 15 1 1 A 61 61 GLU HA H 61 4.080 3.944 0.136 1
1 789 . 15 1 1 A 61 61 GLU C C 61 178.900 178.576 0.324 1
1 790 . 15 1 1 A 61 61 GLU CA C 61 60.100 58.710 1.390 1
1 791 . 15 1 1 A 61 61 GLU CB C 61 29.100 29.144 -0.044 1
1 793 . 15 1 1 A 61 61 GLU N N 61 117.300 119.688 -2.388 1
1 794 . 15 1 1 A 62 62 PHE H H 62 7.670 7.721 -0.051 1
1 795 . 15 1 1 A 62 62 PHE HA H 62 3.420 4.054 -0.634 1
1 803 . 15 1 1 A 62 62 PHE C C 62 176.200 176.827 -0.627 1
1 804 . 15 1 1 A 62 62 PHE CA C 62 60.900 61.319 -0.419 1
1 805 . 15 1 1 A 62 62 PHE CB C 62 38.300 38.953 -0.653 1
1 811 . 15 1 1 A 62 62 PHE N N 62 119.300 120.928 -1.628 1
1 812 . 15 1 1 A 63 63 TYR H H 63 7.850 8.138 -0.288 1
1 813 . 15 1 1 A 63 63 TYR HA H 63 3.870 4.108 -0.238 1
1 820 . 15 1 1 A 63 63 TYR C C 63 180.200 177.764 2.436 1
1 821 . 15 1 1 A 63 63 TYR CA C 63 63.500 62.038 1.462 1
1 822 . 15 1 1 A 63 63 TYR CB C 63 37.100 37.321 -0.221 1
1 827 . 15 1 1 A 63 63 TYR N N 63 116.500 117.681 -1.181 1
1 828 . 15 1 1 A 64 64 ASP H H 64 9.110 8.692 0.418 1
1 829 . 15 1 1 A 64 64 ASP HA H 64 4.650 4.447 0.203 1
1 832 . 15 1 1 A 64 64 ASP C C 64 178.700 178.553 0.147 1
1 833 . 15 1 1 A 64 64 ASP CA C 64 57.600 57.468 0.132 1
1 834 . 15 1 1 A 64 64 ASP CB C 64 39.800 41.098 -1.298 1
1 835 . 15 1 1 A 64 64 ASP N N 64 126.100 120.948 5.152 1
1 836 . 15 1 1 A 65 65 MET H H 65 7.600 8.295 -0.695 1
1 837 . 15 1 1 A 65 65 MET HA H 65 4.140 4.168 -0.028 1
1 845 . 15 1 1 A 65 65 MET C C 65 178.800 178.018 0.782 1
1 846 . 15 1 1 A 65 65 MET CA C 65 59.300 58.601 0.699 1
1 847 . 15 1 1 A 65 65 MET CB C 65 32.800 33.191 -0.391 1
1 850 . 15 1 1 A 65 65 MET N N 65 121.100 117.518 3.582 1
1 851 . 15 1 1 A 66 66 ILE H H 66 7.910 7.984 -0.074 1
1 852 . 15 1 1 A 66 66 ILE HA H 66 3.430 3.771 -0.341 1
1 862 . 15 1 1 A 66 66 ILE C C 66 177.000 177.867 -0.867 1
1 863 . 15 1 1 A 66 66 ILE CA C 66 64.500 64.173 0.327 1
1 864 . 15 1 1 A 66 66 ILE CB C 66 36.700 37.349 -0.649 1
1 868 . 15 1 1 A 66 66 ILE N N 66 116.900 116.235 0.665 1
1 869 . 15 1 1 A 67 67 ALA H H 67 7.660 8.347 -0.687 1
1 870 . 15 1 1 A 67 67 ALA HA H 67 3.940 4.031 -0.091 1
1 874 . 15 1 1 A 67 67 ALA C C 67 180.200 179.715 0.485 1
1 875 . 15 1 1 A 67 67 ALA CA C 67 55.600 55.838 -0.238 1
1 876 . 15 1 1 A 67 67 ALA CB C 67 18.000 18.470 -0.470 1
1 877 . 15 1 1 A 67 67 ALA N N 67 120.700 121.901 -1.201 1
1 878 . 15 1 1 A 68 68 GLU H H 68 7.660 7.897 -0.237 1
1 879 . 15 1 1 A 68 68 GLU HA H 68 4.040 4.130 -0.090 1
1 884 . 15 1 1 A 68 68 GLU C C 68 179.000 179.076 -0.076 1
1 885 . 15 1 1 A 68 68 GLU CA C 68 59.300 59.336 -0.036 1
1 886 . 15 1 1 A 68 68 GLU CB C 68 29.500 29.160 0.340 1
1 888 . 15 1 1 A 68 68 GLU N N 68 118.700 116.441 2.259 1
1 889 . 15 1 1 A 69 69 ILE H H 69 8.240 7.806 0.434 1
1 890 . 15 1 1 A 69 69 ILE HA H 69 3.630 3.825 -0.195 1
1 900 . 15 1 1 A 69 69 ILE C C 69 178.200 178.476 -0.276 1
1 901 . 15 1 1 A 69 69 ILE CA C 69 65.700 65.556 0.144 1
1 902 . 15 1 1 A 69 69 ILE CB C 69 38.100 37.852 0.248 1
1 906 . 15 1 1 A 69 69 ILE N N 69 120.700 121.462 -0.762 1
1 907 . 15 1 1 A 70 70 LEU H H 70 8.770 8.807 -0.037 1
1 908 . 15 1 1 A 70 70 LEU HA H 70 3.960 3.921 0.039 1
1 918 . 15 1 1 A 70 70 LEU C C 70 179.300 179.456 -0.156 1
1 919 . 15 1 1 A 70 70 LEU CA C 70 59.100 58.338 0.762 1
1 920 . 15 1 1 A 70 70 LEU CB C 70 43.000 41.580 1.420 1
1 924 . 15 1 1 A 70 70 LEU N N 70 119.100 120.478 -1.378 1
1 925 . 15 1 1 A 71 71 GLN H H 71 7.660 7.938 -0.278 1
1 926 . 15 1 1 A 71 71 GLN HA H 71 3.960 4.164 -0.204 1
1 933 . 15 1 1 A 71 71 GLN C C 71 177.700 178.462 -0.762 1
1 934 . 15 1 1 A 71 71 GLN CA C 71 59.800 59.292 0.508 1
1 935 . 15 1 1 A 71 71 GLN CB C 71 30.000 28.485 1.515 1
1 937 . 15 1 1 A 71 71 GLN N N 71 114.200 118.051 -3.851 1
1 939 . 15 1 1 A 72 72 ARG H H 72 8.180 7.998 0.182 1
1 940 . 15 1 1 A 72 72 ARG HA H 72 4.000 4.022 -0.022 1
1 947 . 15 1 1 A 72 72 ARG C C 72 178.900 177.860 1.040 1
1 948 . 15 1 1 A 72 72 ARG CA C 72 58.900 59.035 -0.135 1
1 949 . 15 1 1 A 72 72 ARG CB C 72 31.100 30.267 0.833 1
1 952 . 15 1 1 A 72 72 ARG N N 72 118.300 120.716 -2.416 1
1 953 . 15 1 1 A 73 73 TYR H H 73 7.970 8.375 -0.405 1
1 954 . 15 1 1 A 73 73 TYR HA H 73 4.800 4.356 0.444 1
1 961 . 15 1 1 A 73 73 TYR C C 73 178.000 178.394 -0.394 1
1 962 . 15 1 1 A 73 73 TYR CA C 73 60.100 60.004 0.096 1
1 963 . 15 1 1 A 73 73 TYR CB C 73 41.200 38.500 2.700 1
1 968 . 15 1 1 A 73 73 TYR N N 73 111.500 118.282 -6.782 1
1 969 . 15 1 1 A 74 74 TYR H H 74 8.750 7.975 0.775 1
1 970 . 15 1 1 A 74 74 TYR HA H 74 4.080 4.245 -0.165 1
1 977 . 15 1 1 A 74 74 TYR C C 74 176.600 177.636 -1.036 1
1 978 . 15 1 1 A 74 74 TYR CA C 74 62.400 61.067 1.333 1
1 979 . 15 1 1 A 74 74 TYR CB C 74 36.100 38.326 -2.226 1
1 984 . 15 1 1 A 74 74 TYR N N 74 121.500 120.506 0.994 1
1 985 . 15 1 1 A 75 75 LYS H H 75 7.760 7.552 0.208 1
1 986 . 15 1 1 A 75 75 LYS HA H 75 3.710 3.688 0.022 1
1 995 . 15 1 1 A 75 75 LYS C C 75 177.500 177.961 -0.461 1
1 996 . 15 1 1 A 75 75 LYS CA C 75 57.600 58.325 -0.725 1
1 997 . 15 1 1 A 75 75 LYS CB C 75 31.800 32.188 -0.388 1
1 1001 . 15 1 1 A 75 75 LYS N N 75 120.300 119.625 0.675 1
1 1002 . 15 1 1 A 76 76 LYS H H 76 7.510 7.728 -0.218 1
1 1003 . 15 1 1 A 76 76 LYS HA H 76 4.230 4.170 0.060 1
1 1012 . 15 1 1 A 76 76 LYS C C 76 177.900 178.052 -0.152 1
1 1013 . 15 1 1 A 76 76 LYS CA C 76 58.300 58.151 0.149 1
1 1014 . 15 1 1 A 76 76 LYS CB C 76 33.700 33.048 0.652 1
1 1018 . 15 1 1 A 76 76 LYS N N 76 118.000 119.517 -1.517 1
1 1019 . 15 1 1 A 77 77 ILE H H 77 7.610 8.486 -0.876 1
1 1020 . 15 1 1 A 77 77 ILE HA H 77 4.670 4.431 0.239 1
1 1030 . 15 1 1 A 77 77 ILE C C 77 176.000 175.813 0.187 1
1 1031 . 15 1 1 A 77 77 ILE CA C 77 60.600 61.123 -0.523 1
1 1032 . 15 1 1 A 77 77 ILE CB C 77 39.700 40.049 -0.349 1
1 1036 . 15 1 1 A 77 77 ILE N N 77 108.200 111.902 -3.702 1
1 1037 . 15 1 1 A 78 78 GLY H H 78 7.390 7.336 0.054 1
1 1038 . 15 1 1 A 78 78 GLY HA2 H 78 4.730 4.133 0.597 1
1 1039 . 15 1 1 A 78 78 GLY HA3 H 78 3.970 4.169 -0.199 1
1 1040 . 15 1 1 A 78 78 GLY C C 78 175.800 175.020 0.780 1
1 1041 . 15 1 1 A 78 78 GLY CA C 78 44.900 44.688 0.212 1
1 1042 . 15 1 1 A 78 78 GLY N N 78 112.200 109.704 2.496 1
1 1043 . 15 1 1 A 79 79 ILE H H 79 9.030 8.897 0.133 1
1 1044 . 15 1 1 A 79 79 ILE HA H 79 4.080 4.026 0.054 1
1 1054 . 15 1 1 A 79 79 ILE C C 79 174.700 177.916 -3.216 1
1 1055 . 15 1 1 A 79 79 ILE CA C 79 62.900 63.268 -0.368 1
1 1056 . 15 1 1 A 79 79 ILE CB C 79 38.600 38.031 0.569 1
1 1060 . 15 1 1 A 79 79 ILE N N 79 125.700 122.075 3.625 1
1 1061 . 15 1 1 A 80 80 GLU H H 80 9.480 8.495 0.985 1
1 1062 . 15 1 1 A 80 80 GLU HA H 80 4.070 3.969 0.101 1
1 1067 . 15 1 1 A 80 80 GLU C C 80 179.200 179.108 0.092 1
1 1068 . 15 1 1 A 80 80 GLU CA C 80 59.700 59.993 -0.293 1
1 1069 . 15 1 1 A 80 80 GLU CB C 80 28.100 29.315 -1.215 1
1 1071 . 15 1 1 A 80 80 GLU N N 80 122.400 122.104 0.296 1
1 1072 . 15 1 1 A 81 81 ASN H H 81 7.570 8.071 -0.501 1
1 1073 . 15 1 1 A 81 81 ASN HA H 81 4.580 4.506 0.074 1
1 1078 . 15 1 1 A 81 81 ASN C C 81 177.600 177.609 -0.009 1
1 1079 . 15 1 1 A 81 81 ASN CA C 81 55.600 56.949 -1.349 1
1 1080 . 15 1 1 A 81 81 ASN CB C 81 37.900 39.639 -1.739 1
1 1081 . 15 1 1 A 81 81 ASN N N 81 117.000 118.186 -1.186 1
1 1083 . 15 1 1 A 82 82 VAL H H 82 8.180 8.019 0.161 1
1 1084 . 15 1 1 A 82 82 VAL HA H 82 3.590 3.509 0.081 1
1 1092 . 15 1 1 A 82 82 VAL C C 82 176.900 177.905 -1.005 1
1 1093 . 15 1 1 A 82 82 VAL CA C 82 66.800 66.677 0.123 1
1 1094 . 15 1 1 A 82 82 VAL CB C 82 31.100 31.779 -0.679 1
1 1097 . 15 1 1 A 82 82 VAL N N 82 120.900 118.875 2.025 1
1 1098 . 15 1 1 A 83 83 ASN H H 83 8.440 8.753 -0.313 1
1 1099 . 15 1 1 A 83 83 ASN HA H 83 4.440 4.465 -0.025 1
1 1104 . 15 1 1 A 83 83 ASN C C 83 177.700 177.758 -0.058 1
1 1105 . 15 1 1 A 83 83 ASN CA C 83 56.000 56.410 -0.410 1
1 1106 . 15 1 1 A 83 83 ASN CB C 83 37.000 37.691 -0.691 1
1 1107 . 15 1 1 A 83 83 ASN N N 83 120.500 119.045 1.455 1
1 1109 . 15 1 1 A 84 84 GLN H H 84 7.550 7.420 0.130 1
1 1110 . 15 1 1 A 84 84 GLN HA H 84 4.050 4.108 -0.058 1
1 1117 . 15 1 1 A 84 84 GLN C C 84 179.000 178.715 0.285 1
1 1118 . 15 1 1 A 84 84 GLN CA C 84 58.900 58.624 0.276 1
1 1119 . 15 1 1 A 84 84 GLN CB C 84 28.300 28.159 0.141 1
1 1121 . 15 1 1 A 84 84 GLN N N 84 116.900 119.369 -2.469 1
1 1123 . 15 1 1 A 85 85 LEU H H 85 7.990 8.049 -0.059 1
1 1124 . 15 1 1 A 85 85 LEU HA H 85 4.080 4.113 -0.033 1
1 1134 . 15 1 1 A 85 85 LEU C C 85 180.400 179.372 1.028 1
1 1135 . 15 1 1 A 85 85 LEU CA C 85 58.200 58.111 0.089 1
1 1136 . 15 1 1 A 85 85 LEU CB C 85 41.700 41.505 0.195 1
1 1140 . 15 1 1 A 85 85 LEU N N 85 121.300 119.241 2.059 1
1 1141 . 15 1 1 A 86 86 ILE H H 86 8.630 8.379 0.251 1
1 1142 . 15 1 1 A 86 86 ILE HA H 86 3.560 3.677 -0.117 1
1 1152 . 15 1 1 A 86 86 ILE C C 86 177.700 178.642 -0.942 1
1 1153 . 15 1 1 A 86 86 ILE CA C 86 66.600 65.180 1.420 1
1 1154 . 15 1 1 A 86 86 ILE CB C 86 37.800 37.186 0.614 1
1 1158 . 15 1 1 A 86 86 ILE N N 86 122.000 120.319 1.681 1
1 1159 . 15 1 1 A 87 87 LEU H H 87 8.200 7.987 0.213 1
1 1160 . 15 1 1 A 87 87 LEU HA H 87 4.010 4.129 -0.119 1
1 1170 . 15 1 1 A 87 87 LEU C C 87 179.000 179.188 -0.188 1
1 1171 . 15 1 1 A 87 87 LEU CA C 87 58.200 58.104 0.096 1
1 1172 . 15 1 1 A 87 87 LEU CB C 87 40.800 41.928 -1.128 1
1 1176 . 15 1 1 A 87 87 LEU N N 87 118.300 118.887 -0.587 1
1 1177 . 15 1 1 A 88 88 THR H H 88 8.420 8.239 0.181 1
1 1178 . 15 1 1 A 88 88 THR HA H 88 4.000 4.065 -0.065 1
1 1183 . 15 1 1 A 88 88 THR C C 88 176.300 177.064 -0.764 1
1 1184 . 15 1 1 A 88 88 THR CA C 88 66.500 66.176 0.324 1
1 1185 . 15 1 1 A 88 88 THR CB C 88 69.400 68.127 1.273 1
1 1187 . 15 1 1 A 88 88 THR N N 88 112.700 115.875 -3.175 1
1 1188 . 15 1 1 A 89 89 THR H H 89 7.690 7.945 -0.255 1
1 1189 . 15 1 1 A 89 89 THR HA H 89 4.040 4.036 0.004 1
1 1194 . 15 1 1 A 89 89 THR C C 89 175.500 176.257 -0.757 1
1 1195 . 15 1 1 A 89 89 THR CA C 89 67.100 66.892 0.208 1
1 1196 . 15 1 1 A 89 89 THR CB C 89 68.500 67.951 0.549 1
1 1198 . 15 1 1 A 89 89 THR N N 89 116.600 117.165 -0.565 1
1 1199 . 15 1 1 A 90 90 ILE H H 90 8.330 7.245 1.085 1
1 1200 . 15 1 1 A 90 90 ILE HA H 90 4.420 4.286 0.134 1
1 1210 . 15 1 1 A 90 90 ILE C C 90 175.700 176.428 -0.728 1
1 1211 . 15 1 1 A 90 90 ILE CA C 90 62.000 62.286 -0.286 1
1 1212 . 15 1 1 A 90 90 ILE CB C 90 38.500 37.972 0.528 1
1 1216 . 15 1 1 A 90 90 ILE N N 90 125.300 114.117 11.183 1
1 1217 . 15 1 1 A 91 91 LYS H H 91 7.450 7.293 0.157 1
1 1218 . 15 1 1 A 91 91 LYS HA H 91 3.970 4.525 -0.555 1
1 1227 . 15 1 1 A 91 91 LYS CA C 91 57.200 55.161 2.039 1
1 1228 . 15 1 1 A 91 91 LYS CB C 91 32.900 32.146 0.754 1
1 1 . 16 1 1 A 3 3 ILE H H 3 8.310 8.665 -0.355 1
1 2 . 16 1 1 A 3 3 ILE HA H 3 3.740 4.156 -0.416 1
1 12 . 16 1 1 A 3 3 ILE C C 3 175.200 176.820 -1.620 1
1 13 . 16 1 1 A 3 3 ILE CA C 3 64.200 59.996 4.204 1
1 14 . 16 1 1 A 3 3 ILE CB C 3 37.400 36.897 0.503 1
1 18 . 16 1 1 A 3 3 ILE N N 3 124.900 127.248 -2.348 1
1 19 . 16 1 1 A 4 4 LEU H H 4 7.270 7.750 -0.480 1
1 20 . 16 1 1 A 4 4 LEU HA H 4 3.680 4.441 -0.761 1
1 30 . 16 1 1 A 4 4 LEU C C 4 177.300 177.762 -0.462 1
1 31 . 16 1 1 A 4 4 LEU CA C 4 56.300 54.647 1.653 1
1 32 . 16 1 1 A 4 4 LEU CB C 4 41.100 41.073 0.027 1
1 36 . 16 1 1 A 4 4 LEU N N 4 116.100 125.305 -9.205 1
1 37 . 16 1 1 A 5 5 GLU H H 5 7.350 8.003 -0.653 1
1 38 . 16 1 1 A 5 5 GLU HA H 5 4.290 4.247 0.043 1
1 43 . 16 1 1 A 5 5 GLU C C 5 176.300 175.964 0.336 1
1 44 . 16 1 1 A 5 5 GLU CA C 5 55.200 58.995 -3.795 1
1 45 . 16 1 1 A 5 5 GLU CB C 5 30.000 29.734 0.266 1
1 47 . 16 1 1 A 5 5 GLU N N 5 114.200 118.118 -3.918 1
1 48 . 16 1 1 A 6 6 ASP H H 6 7.860 7.728 0.132 1
1 49 . 16 1 1 A 6 6 ASP HA H 6 4.830 4.983 -0.153 1
1 52 . 16 1 1 A 6 6 ASP C C 6 175.500 175.493 0.007 1
1 53 . 16 1 1 A 6 6 ASP CA C 6 53.000 50.693 2.307 1
1 54 . 16 1 1 A 6 6 ASP CB C 6 40.800 42.770 -1.970 1
1 55 . 16 1 1 A 6 6 ASP N N 6 125.000 120.777 4.223 1
1 56 . 16 1 1 A 7 7 PRO HA H 7 4.240 4.326 -0.086 1
1 63 . 16 1 1 A 7 7 PRO C C 7 179.000 178.728 0.272 1
1 64 . 16 1 1 A 7 7 PRO CA C 7 65.700 64.955 0.745 1
1 65 . 16 1 1 A 7 7 PRO CB C 7 32.300 32.061 0.239 1
1 68 . 16 1 1 A 8 8 GLU H H 8 9.250 8.401 0.849 1
1 69 . 16 1 1 A 8 8 GLU HA H 8 4.120 4.109 0.011 1
1 74 . 16 1 1 A 8 8 GLU C C 8 178.100 178.951 -0.851 1
1 75 . 16 1 1 A 8 8 GLU CA C 8 60.000 59.293 0.707 1
1 76 . 16 1 1 A 8 8 GLU CB C 8 29.200 29.247 -0.047 1
1 78 . 16 1 1 A 8 8 GLU N N 8 117.600 118.445 -0.845 1
1 79 . 16 1 1 A 9 9 PHE H H 9 7.640 8.636 -0.996 1
1 80 . 16 1 1 A 9 9 PHE HA H 9 4.130 3.910 0.220 1
1 87 . 16 1 1 A 9 9 PHE C C 9 178.600 177.300 1.300 1
1 88 . 16 1 1 A 9 9 PHE CA C 9 62.200 61.346 0.854 1
1 89 . 16 1 1 A 9 9 PHE CB C 9 40.400 39.243 1.157 1
1 94 . 16 1 1 A 9 9 PHE N N 9 118.200 121.830 -3.630 1
1 95 . 16 1 1 A 10 10 VAL H H 10 8.220 8.133 0.087 1
1 96 . 16 1 1 A 10 10 VAL HA H 10 3.590 3.834 -0.244 1
1 104 . 16 1 1 A 10 10 VAL C C 10 179.400 177.639 1.761 1
1 105 . 16 1 1 A 10 10 VAL CA C 10 66.800 64.669 2.131 1
1 106 . 16 1 1 A 10 10 VAL CB C 10 31.700 31.036 0.664 1
1 109 . 16 1 1 A 10 10 VAL N N 10 120.300 118.770 1.530 1
1 110 . 16 1 1 A 11 11 LYS H H 11 7.760 7.541 0.219 1
1 111 . 16 1 1 A 11 11 LYS HA H 11 4.050 3.978 0.072 1
1 120 . 16 1 1 A 11 11 LYS C C 11 179.000 179.746 -0.746 1
1 121 . 16 1 1 A 11 11 LYS CA C 11 59.300 59.925 -0.625 1
1 122 . 16 1 1 A 11 11 LYS CB C 11 32.600 32.274 0.326 1
1 126 . 16 1 1 A 11 11 LYS N N 11 119.600 122.792 -3.192 1
1 127 . 16 1 1 A 12 12 LEU H H 12 7.750 8.224 -0.474 1
1 128 . 16 1 1 A 12 12 LEU HA H 12 4.190 3.926 0.264 1
1 138 . 16 1 1 A 12 12 LEU C C 12 178.400 179.081 -0.681 1
1 139 . 16 1 1 A 12 12 LEU CA C 12 57.800 57.894 -0.094 1
1 140 . 16 1 1 A 12 12 LEU CB C 12 41.900 41.497 0.403 1
1 144 . 16 1 1 A 12 12 LEU N N 12 119.900 119.888 0.012 1
1 145 . 16 1 1 A 13 13 ARG H H 13 7.600 7.881 -0.281 1
1 146 . 16 1 1 A 13 13 ARG HA H 13 3.940 3.720 0.220 1
1 153 . 16 1 1 A 13 13 ARG C C 13 178.600 178.556 0.044 1
1 154 . 16 1 1 A 13 13 ARG CA C 13 59.000 59.651 -0.651 1
1 155 . 16 1 1 A 13 13 ARG CB C 13 30.200 29.572 0.628 1
1 158 . 16 1 1 A 13 13 ARG N N 13 115.300 120.161 -4.861 1
1 159 . 16 1 1 A 14 14 GLN H H 14 7.770 7.583 0.187 1
1 160 . 16 1 1 A 14 14 GLN HA H 14 4.130 4.192 -0.062 1
1 167 . 16 1 1 A 14 14 GLN C C 14 176.500 178.271 -1.771 1
1 168 . 16 1 1 A 14 14 GLN CA C 14 57.100 58.340 -1.240 1
1 169 . 16 1 1 A 14 14 GLN CB C 14 28.200 28.539 -0.339 1
1 171 . 16 1 1 A 14 14 GLN N N 14 116.400 118.183 -1.783 1
1 173 . 16 1 1 A 15 15 PHE H H 15 8.030 8.450 -0.420 1
1 174 . 16 1 1 A 15 15 PHE HA H 15 4.220 4.094 0.126 1
1 181 . 16 1 1 A 15 15 PHE C C 15 175.200 175.621 -0.421 1
1 182 . 16 1 1 A 15 15 PHE CA C 15 59.100 61.069 -1.969 1
1 183 . 16 1 1 A 15 15 PHE CB C 15 38.800 39.390 -0.590 1
1 188 . 16 1 1 A 15 15 PHE N N 15 116.800 123.025 -6.225 1
1 189 . 16 1 1 A 16 16 LYS H H 16 7.470 7.962 -0.492 1
1 190 . 16 1 1 A 16 16 LYS HA H 16 4.190 3.930 0.260 1
1 191 . 16 1 1 A 16 16 LYS CA C 16 58.400 58.512 -0.112 1
1 192 . 16 1 1 A 16 16 LYS CB C 16 33.300 30.345 2.955 1
1 193 . 16 1 1 A 16 16 LYS N N 16 122.500 117.332 5.168 1
1 194 . 16 1 1 A 17 17 GLY HA2 H 17 3.920 3.817 0.103 1
1 195 . 16 1 1 A 17 17 GLY HA3 H 17 4.210 3.854 0.356 1
1 196 . 16 1 1 A 17 17 GLY C C 17 174.300 174.908 -0.608 1
1 197 . 16 1 1 A 17 17 GLY CA C 17 46.200 45.325 0.875 1
1 198 . 16 1 1 A 18 18 LYS H H 18 8.230 7.935 0.295 1
1 199 . 16 1 1 A 18 18 LYS HA H 18 4.550 3.694 0.856 1
1 208 . 16 1 1 A 18 18 LYS C C 18 175.800 174.615 1.185 1
1 209 . 16 1 1 A 18 18 LYS CA C 18 56.100 57.341 -1.241 1
1 210 . 16 1 1 A 18 18 LYS CB C 18 33.700 29.415 4.285 1
1 214 . 16 1 1 A 18 18 LYS N N 18 118.100 115.818 2.282 1
1 215 . 16 1 1 A 19 19 VAL H H 19 7.150 7.459 -0.309 1
1 216 . 16 1 1 A 19 19 VAL HA H 19 4.400 4.744 -0.344 1
1 224 . 16 1 1 A 19 19 VAL CA C 19 58.800 58.383 0.417 1
1 225 . 16 1 1 A 19 19 VAL CB C 19 34.300 34.809 -0.509 1
1 228 . 16 1 1 A 19 19 VAL N N 19 111.100 113.195 -2.095 1
1 229 . 16 1 1 A 20 20 ASN HA H 20 4.660 5.016 -0.356 1
1 234 . 16 1 1 A 20 20 ASN C C 20 174.600 176.083 -1.483 1
1 235 . 16 1 1 A 20 20 ASN CA C 20 52.700 52.569 0.131 1
1 236 . 16 1 1 A 20 20 ASN CB C 20 37.900 40.077 -2.177 1
1 238 . 16 1 1 A 21 21 PHE H H 21 8.580 9.123 -0.543 1
1 239 . 16 1 1 A 21 21 PHE HA H 21 3.730 3.970 -0.240 1
1 247 . 16 1 1 A 21 21 PHE C C 21 175.300 177.045 -1.745 1
1 248 . 16 1 1 A 21 21 PHE CA C 21 62.500 62.338 0.162 1
1 249 . 16 1 1 A 21 21 PHE CB C 21 40.400 39.441 0.959 1
1 255 . 16 1 1 A 21 21 PHE N N 21 128.200 127.696 0.504 1
1 256 . 16 1 1 A 22 22 ASN H H 22 8.220 8.338 -0.118 1
1 257 . 16 1 1 A 22 22 ASN HA H 22 4.300 4.457 -0.157 1
1 262 . 16 1 1 A 22 22 ASN C C 22 177.800 177.809 -0.009 1
1 263 . 16 1 1 A 22 22 ASN CA C 22 56.400 56.650 -0.250 1
1 264 . 16 1 1 A 22 22 ASN CB C 22 37.900 38.445 -0.545 1
1 265 . 16 1 1 A 22 22 ASN N N 22 114.600 118.760 -4.160 1
1 267 . 16 1 1 A 23 23 LEU H H 23 7.440 7.302 0.138 1
1 268 . 16 1 1 A 23 23 LEU HA H 23 4.190 3.965 0.225 1
1 278 . 16 1 1 A 23 23 LEU C C 23 177.800 178.583 -0.783 1
1 279 . 16 1 1 A 23 23 LEU CA C 23 56.900 57.817 -0.917 1
1 280 . 16 1 1 A 23 23 LEU CB C 23 41.400 41.656 -0.256 1
1 284 . 16 1 1 A 23 23 LEU N N 23 122.500 121.514 0.986 1
1 285 . 16 1 1 A 24 24 VAL H H 24 7.930 8.316 -0.386 1
1 286 . 16 1 1 A 24 24 VAL HA H 24 3.560 3.523 0.037 1
1 294 . 16 1 1 A 24 24 VAL C C 24 177.500 177.357 0.143 1
1 295 . 16 1 1 A 24 24 VAL CA C 24 67.200 66.885 0.315 1
1 296 . 16 1 1 A 24 24 VAL CB C 24 31.000 31.345 -0.345 1
1 299 . 16 1 1 A 24 24 VAL N N 24 119.400 118.949 0.451 1
1 300 . 16 1 1 A 25 25 MET H H 25 8.020 8.145 -0.125 1
1 301 . 16 1 1 A 25 25 MET HA H 25 3.640 3.981 -0.341 1
1 309 . 16 1 1 A 25 25 MET C C 25 176.800 178.047 -1.247 1
1 310 . 16 1 1 A 25 25 MET CA C 25 60.000 58.208 1.792 1
1 311 . 16 1 1 A 25 25 MET CB C 25 32.900 31.455 1.445 1
1 314 . 16 1 1 A 25 25 MET N N 25 116.600 119.397 -2.797 1
1 315 . 16 1 1 A 26 26 GLN H H 26 7.530 8.104 -0.574 1
1 316 . 16 1 1 A 26 26 GLN HA H 26 4.050 4.091 -0.041 1
1 323 . 16 1 1 A 26 26 GLN C C 26 177.800 178.525 -0.725 1
1 324 . 16 1 1 A 26 26 GLN CA C 26 59.100 58.715 0.385 1
1 325 . 16 1 1 A 26 26 GLN CB C 26 28.100 28.179 -0.079 1
1 327 . 16 1 1 A 26 26 GLN N N 26 118.200 118.611 -0.411 1
1 329 . 16 1 1 A 27 27 ILE H H 27 8.230 8.298 -0.068 1
1 330 . 16 1 1 A 27 27 ILE HA H 27 3.350 3.537 -0.187 1
1 340 . 16 1 1 A 27 27 ILE C C 27 177.700 178.498 -0.798 1
1 341 . 16 1 1 A 27 27 ILE CA C 27 65.900 65.957 -0.057 1
1 342 . 16 1 1 A 27 27 ILE CB C 27 37.900 38.011 -0.111 1
1 346 . 16 1 1 A 27 27 ILE N N 27 120.700 120.814 -0.114 1
1 347 . 16 1 1 A 28 28 LEU H H 28 8.550 8.343 0.207 1
1 348 . 16 1 1 A 28 28 LEU HA H 28 4.020 3.935 0.085 1
1 358 . 16 1 1 A 28 28 LEU C C 28 179.900 178.957 0.943 1
1 359 . 16 1 1 A 28 28 LEU CA C 28 58.400 58.294 0.106 1
1 360 . 16 1 1 A 28 28 LEU CB C 28 39.700 41.198 -1.498 1
1 364 . 16 1 1 A 28 28 LEU N N 28 118.900 119.230 -0.330 1
1 365 . 16 1 1 A 29 29 ASP H H 29 8.470 8.473 -0.003 1
1 366 . 16 1 1 A 29 29 ASP HA H 29 4.440 4.247 0.193 1
1 369 . 16 1 1 A 29 29 ASP C C 29 179.600 178.422 1.178 1
1 370 . 16 1 1 A 29 29 ASP CA C 29 57.400 57.805 -0.405 1
1 371 . 16 1 1 A 29 29 ASP CB C 29 40.400 41.277 -0.877 1
1 372 . 16 1 1 A 29 29 ASP N N 29 120.700 119.246 1.454 1
1 373 . 16 1 1 A 30 30 GLU H H 30 8.630 8.691 -0.061 1
1 374 . 16 1 1 A 30 30 GLU HA H 30 3.980 4.097 -0.117 1
1 379 . 16 1 1 A 30 30 GLU C C 30 180.600 178.761 1.839 1
1 380 . 16 1 1 A 30 30 GLU CA C 30 60.000 59.227 0.773 1
1 381 . 16 1 1 A 30 30 GLU CB C 30 29.900 29.551 0.349 1
1 383 . 16 1 1 A 30 30 GLU N N 30 120.800 119.041 1.759 1
1 384 . 16 1 1 A 31 31 ILE H H 31 8.520 7.685 0.835 1
1 385 . 16 1 1 A 31 31 ILE HA H 31 3.540 3.905 -0.365 1
1 395 . 16 1 1 A 31 31 ILE C C 31 176.400 178.041 -1.641 1
1 396 . 16 1 1 A 31 31 ILE CA C 31 66.600 64.043 2.557 1
1 397 . 16 1 1 A 31 31 ILE CB C 31 37.800 37.625 0.175 1
1 401 . 16 1 1 A 31 31 ILE N N 31 123.100 119.992 3.108 1
1 402 . 16 1 1 A 32 32 GLU H H 32 8.070 8.319 -0.249 1
1 403 . 16 1 1 A 32 32 GLU HA H 32 3.730 3.988 -0.258 1
1 408 . 16 1 1 A 32 32 GLU C C 32 178.400 179.008 -0.608 1
1 409 . 16 1 1 A 32 32 GLU CA C 32 60.800 59.305 1.495 1
1 410 . 16 1 1 A 32 32 GLU CB C 32 28.800 29.481 -0.681 1
1 412 . 16 1 1 A 32 32 GLU N N 32 120.300 121.554 -1.254 1
1 413 . 16 1 1 A 33 33 LEU H H 33 8.160 8.423 -0.263 1
1 414 . 16 1 1 A 33 33 LEU HA H 33 3.980 3.953 0.027 1
1 424 . 16 1 1 A 33 33 LEU C C 33 180.100 178.354 1.746 1
1 425 . 16 1 1 A 33 33 LEU CA C 33 58.000 58.030 -0.030 1
1 426 . 16 1 1 A 33 33 LEU CB C 33 42.100 41.136 0.964 1
1 430 . 16 1 1 A 33 33 LEU N N 33 117.900 120.121 -2.221 1
1 431 . 16 1 1 A 34 34 ASP H H 34 8.200 7.939 0.261 1
1 432 . 16 1 1 A 34 34 ASP HA H 34 4.290 4.347 -0.057 1
1 435 . 16 1 1 A 34 34 ASP C C 34 178.600 178.282 0.318 1
1 436 . 16 1 1 A 34 34 ASP CA C 34 58.200 57.525 0.675 1
1 437 . 16 1 1 A 34 34 ASP CB C 34 42.800 40.997 1.803 1
1 438 . 16 1 1 A 34 34 ASP N N 34 120.500 119.920 0.580 1
1 439 . 16 1 1 A 35 35 LEU H H 35 8.630 8.402 0.228 1
1 440 . 16 1 1 A 35 35 LEU HA H 35 4.360 4.020 0.340 1
1 450 . 16 1 1 A 35 35 LEU C C 35 179.000 178.632 0.368 1
1 451 . 16 1 1 A 35 35 LEU CA C 35 56.400 57.468 -1.068 1
1 452 . 16 1 1 A 35 35 LEU CB C 35 42.800 41.843 0.957 1
1 456 . 16 1 1 A 35 35 LEU N N 35 121.300 120.774 0.526 1
1 457 . 16 1 1 A 36 36 ARG H H 36 7.410 7.679 -0.269 1
1 458 . 16 1 1 A 36 36 ARG HA H 36 4.050 4.141 -0.091 1
1 465 . 16 1 1 A 36 36 ARG C C 36 177.800 177.822 -0.022 1
1 466 . 16 1 1 A 36 36 ARG CA C 36 59.000 58.215 0.785 1
1 467 . 16 1 1 A 36 36 ARG CB C 36 30.000 30.165 -0.165 1
1 470 . 16 1 1 A 36 36 ARG N N 36 117.000 118.467 -1.467 1
1 471 . 16 1 1 A 37 37 GLY H H 37 7.580 8.238 -0.658 1
1 472 . 16 1 1 A 37 37 GLY HA2 H 37 3.830 4.079 -0.249 1
1 473 . 16 1 1 A 37 37 GLY HA3 H 37 4.280 4.086 0.194 1
1 474 . 16 1 1 A 37 37 GLY C C 37 174.800 173.699 1.101 1
1 475 . 16 1 1 A 37 37 GLY CA C 37 45.200 45.379 -0.179 1
1 476 . 16 1 1 A 37 37 GLY N N 37 103.600 107.751 -4.151 1
1 477 . 16 1 1 A 38 38 SER H H 38 8.380 7.955 0.425 1
1 478 . 16 1 1 A 38 38 SER HA H 38 4.330 4.663 -0.333 1
1 481 . 16 1 1 A 38 38 SER C C 38 175.100 174.852 0.248 1
1 482 . 16 1 1 A 38 38 SER CA C 38 58.700 56.972 1.728 1
1 483 . 16 1 1 A 38 38 SER CB C 38 63.800 65.299 -1.499 1
1 484 . 16 1 1 A 38 38 SER N N 38 117.800 116.256 1.544 1
1 485 . 16 1 1 A 39 39 ASP H H 39 8.520 8.817 -0.297 1
1 486 . 16 1 1 A 39 39 ASP HA H 39 4.470 4.677 -0.207 1
1 489 . 16 1 1 A 39 39 ASP C C 39 175.300 176.012 -0.712 1
1 490 . 16 1 1 A 39 39 ASP CA C 39 55.400 54.715 0.685 1
1 491 . 16 1 1 A 39 39 ASP CB C 39 41.500 41.633 -0.133 1
1 492 . 16 1 1 A 39 39 ASP N N 39 120.500 123.020 -2.520 1
1 493 . 16 1 1 A 40 40 ASN H H 40 8.230 7.801 0.429 1
1 494 . 16 1 1 A 40 40 ASN HA H 40 4.800 5.084 -0.284 1
1 499 . 16 1 1 A 40 40 ASN C C 40 174.600 175.180 -0.580 1
1 500 . 16 1 1 A 40 40 ASN CA C 40 52.900 52.528 0.372 1
1 501 . 16 1 1 A 40 40 ASN CB C 40 39.500 41.420 -1.920 1
1 502 . 16 1 1 A 40 40 ASN N N 40 116.100 116.539 -0.439 1
1 504 . 16 1 1 A 41 41 ILE H H 41 8.340 8.536 -0.196 1
1 505 . 16 1 1 A 41 41 ILE HA H 41 3.840 3.827 0.013 1
1 515 . 16 1 1 A 41 41 ILE C C 41 175.000 177.507 -2.507 1
1 516 . 16 1 1 A 41 41 ILE CA C 41 62.500 62.973 -0.473 1
1 517 . 16 1 1 A 41 41 ILE CB C 41 37.600 37.657 -0.057 1
1 521 . 16 1 1 A 41 41 ILE N N 41 124.800 125.452 -0.652 1
1 522 . 16 1 1 A 42 42 LYS H H 42 7.790 8.501 -0.711 1
1 523 . 16 1 1 A 42 42 LYS HA H 42 3.780 3.982 -0.202 1
1 532 . 16 1 1 A 42 42 LYS C C 42 178.300 178.924 -0.624 1
1 533 . 16 1 1 A 42 42 LYS CA C 42 60.200 58.827 1.373 1
1 534 . 16 1 1 A 42 42 LYS CB C 42 31.800 31.621 0.179 1
1 538 . 16 1 1 A 42 42 LYS N N 42 122.100 120.185 1.915 1
1 539 . 16 1 1 A 43 43 THR H H 43 7.500 8.136 -0.636 1
1 540 . 16 1 1 A 43 43 THR HA H 43 3.790 3.670 0.120 1
1 545 . 16 1 1 A 43 43 THR C C 43 177.100 176.282 0.818 1
1 546 . 16 1 1 A 43 43 THR CA C 43 65.900 66.376 -0.476 1
1 547 . 16 1 1 A 43 43 THR CB C 43 68.400 68.328 0.072 1
1 549 . 16 1 1 A 43 43 THR N N 43 112.900 117.063 -4.163 1
1 550 . 16 1 1 A 44 44 SER H H 44 7.860 7.803 0.057 1
1 551 . 16 1 1 A 44 44 SER HA H 44 4.570 4.506 0.064 1
1 554 . 16 1 1 A 44 44 SER C C 44 175.100 176.108 -1.008 1
1 555 . 16 1 1 A 44 44 SER CA C 44 63.600 62.184 1.416 1
1 556 . 16 1 1 A 44 44 SER CB C 44 63.900 63.045 0.855 1
1 557 . 16 1 1 A 44 44 SER N N 44 119.700 116.997 2.703 1
1 558 . 16 1 1 A 45 45 ILE H H 45 8.240 7.901 0.339 1
1 559 . 16 1 1 A 45 45 ILE HA H 45 3.140 3.537 -0.397 1
1 569 . 16 1 1 A 45 45 ILE C C 45 176.500 177.910 -1.410 1
1 570 . 16 1 1 A 45 45 ILE CA C 45 66.200 64.600 1.600 1
1 571 . 16 1 1 A 45 45 ILE CB C 45 37.800 37.648 0.152 1
1 575 . 16 1 1 A 45 45 ILE N N 45 121.300 120.773 0.527 1
1 576 . 16 1 1 A 46 46 ILE H H 46 7.680 7.813 -0.133 1
1 577 . 16 1 1 A 46 46 ILE HA H 46 3.480 3.500 -0.020 1
1 587 . 16 1 1 A 46 46 ILE C C 46 178.900 177.654 1.246 1
1 588 . 16 1 1 A 46 46 ILE CA C 46 65.300 65.147 0.153 1
1 589 . 16 1 1 A 46 46 ILE CB C 46 37.800 37.863 -0.063 1
1 593 . 16 1 1 A 46 46 ILE N N 46 117.100 120.008 -2.908 1
1 594 . 16 1 1 A 47 47 TYR H H 47 8.400 7.469 0.931 1
1 595 . 16 1 1 A 47 47 TYR HA H 47 4.190 4.373 -0.183 1
1 602 . 16 1 1 A 47 47 TYR C C 47 178.700 178.494 0.206 1
1 603 . 16 1 1 A 47 47 TYR CA C 47 61.300 60.956 0.344 1
1 604 . 16 1 1 A 47 47 TYR CB C 47 38.400 38.269 0.131 1
1 609 . 16 1 1 A 47 47 TYR N N 47 120.900 119.783 1.117 1
1 610 . 16 1 1 A 48 48 VAL H H 48 8.480 8.262 0.218 1
1 611 . 16 1 1 A 48 48 VAL HA H 48 3.560 3.885 -0.325 1
1 619 . 16 1 1 A 48 48 VAL C C 48 179.600 177.758 1.842 1
1 620 . 16 1 1 A 48 48 VAL CA C 48 67.000 66.526 0.474 1
1 621 . 16 1 1 A 48 48 VAL CB C 48 31.700 31.777 -0.077 1
1 624 . 16 1 1 A 48 48 VAL N N 48 121.600 119.769 1.831 1
1 625 . 16 1 1 A 49 49 TYR H H 49 9.630 8.381 1.249 1
1 626 . 16 1 1 A 49 49 TYR HA H 49 4.080 4.034 0.046 1
1 633 . 16 1 1 A 49 49 TYR C C 49 179.300 178.001 1.299 1
1 634 . 16 1 1 A 49 49 TYR CA C 49 59.900 61.365 -1.465 1
1 635 . 16 1 1 A 49 49 TYR CB C 49 35.300 37.797 -2.497 1
1 640 . 16 1 1 A 49 49 TYR N N 49 122.000 119.388 2.612 1
1 641 . 16 1 1 A 50 50 SER H H 50 8.120 8.135 -0.015 1
1 642 . 16 1 1 A 50 50 SER HA H 50 4.130 4.136 -0.006 1
1 645 . 16 1 1 A 50 50 SER C C 50 175.700 176.757 -1.057 1
1 646 . 16 1 1 A 50 50 SER CA C 50 62.000 61.256 0.744 1
1 647 . 16 1 1 A 50 50 SER CB C 50 62.900 63.003 -0.103 1
1 648 . 16 1 1 A 50 50 SER N N 50 112.600 116.323 -3.723 1
1 649 . 16 1 1 A 51 51 SER H H 51 7.510 8.111 -0.601 1
1 650 . 16 1 1 A 51 51 SER HA H 51 4.350 4.119 0.231 1
1 653 . 16 1 1 A 51 51 SER C C 51 173.600 175.888 -2.288 1
1 654 . 16 1 1 A 51 51 SER CA C 51 59.500 61.460 -1.960 1
1 655 . 16 1 1 A 51 51 SER CB C 51 63.300 62.723 0.577 1
1 656 . 16 1 1 A 51 51 SER N N 51 116.800 116.009 0.791 1
1 657 . 16 1 1 A 52 52 HIS H H 52 7.590 8.178 -0.588 1
1 658 . 16 1 1 A 52 52 HIS HA H 52 4.890 4.857 0.033 1
1 663 . 16 1 1 A 52 52 HIS C C 52 175.200 175.520 -0.320 1
1 664 . 16 1 1 A 52 52 HIS CA C 52 54.100 54.353 -0.253 1
1 665 . 16 1 1 A 52 52 HIS CB C 52 29.500 28.716 0.784 1
1 668 . 16 1 1 A 52 52 HIS N N 52 120.500 116.045 4.455 1
1 669 . 16 1 1 A 53 53 LEU H H 53 7.440 7.789 -0.349 1
1 670 . 16 1 1 A 53 53 LEU HA H 53 3.870 3.730 0.140 1
1 680 . 16 1 1 A 53 53 LEU C C 53 177.900 178.348 -0.448 1
1 681 . 16 1 1 A 53 53 LEU CA C 53 59.100 57.951 1.149 1
1 682 . 16 1 1 A 53 53 LEU CB C 53 42.300 41.147 1.153 1
1 686 . 16 1 1 A 53 53 LEU N N 53 121.400 121.062 0.338 1
1 687 . 16 1 1 A 54 54 ASP H H 54 8.400 8.121 0.279 1
1 688 . 16 1 1 A 54 54 ASP HA H 54 4.290 4.241 0.049 1
1 691 . 16 1 1 A 54 54 ASP C C 54 177.900 179.038 -1.138 1
1 692 . 16 1 1 A 54 54 ASP CA C 54 57.600 57.642 -0.042 1
1 693 . 16 1 1 A 54 54 ASP CB C 54 40.200 42.155 -1.955 1
1 694 . 16 1 1 A 54 54 ASP N N 54 115.900 119.663 -3.763 1
1 695 . 16 1 1 A 55 55 GLU H H 55 7.500 7.592 -0.092 1
1 696 . 16 1 1 A 55 55 GLU HA H 55 4.310 4.152 0.158 1
1 701 . 16 1 1 A 55 55 GLU C C 55 178.300 179.199 -0.899 1
1 702 . 16 1 1 A 55 55 GLU CA C 55 57.800 58.658 -0.858 1
1 703 . 16 1 1 A 55 55 GLU CB C 55 29.100 29.218 -0.118 1
1 705 . 16 1 1 A 55 55 GLU N N 55 120.100 118.935 1.165 1
1 706 . 16 1 1 A 56 56 ILE H H 56 7.720 7.683 0.037 1
1 707 . 16 1 1 A 56 56 ILE HA H 56 3.440 3.305 0.135 1
1 717 . 16 1 1 A 56 56 ILE C C 56 178.600 178.399 0.201 1
1 718 . 16 1 1 A 56 56 ILE CA C 56 62.500 65.283 -2.783 1
1 719 . 16 1 1 A 56 56 ILE CB C 56 36.200 37.591 -1.391 1
1 723 . 16 1 1 A 56 56 ILE N N 56 119.600 120.445 -0.845 1
1 724 . 16 1 1 A 57 57 ARG H H 57 8.200 8.486 -0.286 1
1 725 . 16 1 1 A 57 57 ARG HA H 57 3.930 4.070 -0.140 1
1 732 . 16 1 1 A 57 57 ARG C C 57 178.800 178.625 0.175 1
1 733 . 16 1 1 A 57 57 ARG CA C 57 59.000 58.818 0.182 1
1 734 . 16 1 1 A 57 57 ARG CB C 57 30.100 29.693 0.407 1
1 737 . 16 1 1 A 57 57 ARG N N 57 115.500 120.742 -5.242 1
1 738 . 16 1 1 A 58 58 LYS H H 58 7.400 7.445 -0.045 1
1 739 . 16 1 1 A 58 58 LYS HA H 58 4.210 4.087 0.123 1
1 748 . 16 1 1 A 58 58 LYS C C 58 176.800 177.012 -0.212 1
1 749 . 16 1 1 A 58 58 LYS CA C 58 58.100 59.312 -1.212 1
1 750 . 16 1 1 A 58 58 LYS CB C 58 33.100 32.934 0.166 1
1 754 . 16 1 1 A 58 58 LYS N N 58 117.400 119.750 -2.350 1
1 755 . 16 1 1 A 59 59 ASN H H 59 7.630 8.152 -0.522 1
1 756 . 16 1 1 A 59 59 ASN HA H 59 5.310 5.353 -0.043 1
1 761 . 16 1 1 A 59 59 ASN C C 59 174.900 175.183 -0.283 1
1 762 . 16 1 1 A 59 59 ASN CA C 59 52.100 52.402 -0.302 1
1 763 . 16 1 1 A 59 59 ASN CB C 59 40.200 38.451 1.749 1
1 764 . 16 1 1 A 59 59 ASN N N 59 119.200 115.808 3.392 1
1 766 . 16 1 1 A 60 60 LYS H H 60 7.460 8.316 -0.856 1
1 767 . 16 1 1 A 60 60 LYS HA H 60 4.070 4.435 -0.365 1
1 776 . 16 1 1 A 60 60 LYS C C 60 177.900 178.271 -0.371 1
1 777 . 16 1 1 A 60 60 LYS CA C 60 61.100 59.556 1.544 1
1 778 . 16 1 1 A 60 60 LYS CB C 60 33.300 32.065 1.235 1
1 782 . 16 1 1 A 60 60 LYS N N 60 122.700 119.233 3.467 1
1 783 . 16 1 1 A 61 61 GLU H H 61 8.660 7.954 0.706 1
1 784 . 16 1 1 A 61 61 GLU HA H 61 4.080 4.001 0.079 1
1 789 . 16 1 1 A 61 61 GLU C C 61 178.900 178.619 0.281 1
1 790 . 16 1 1 A 61 61 GLU CA C 61 60.100 58.959 1.141 1
1 791 . 16 1 1 A 61 61 GLU CB C 61 29.100 29.270 -0.170 1
1 793 . 16 1 1 A 61 61 GLU N N 61 117.300 119.700 -2.400 1
1 794 . 16 1 1 A 62 62 PHE H H 62 7.670 7.971 -0.301 1
1 795 . 16 1 1 A 62 62 PHE HA H 62 3.420 3.741 -0.321 1
1 803 . 16 1 1 A 62 62 PHE C C 62 176.200 177.032 -0.832 1
1 804 . 16 1 1 A 62 62 PHE CA C 62 60.900 61.051 -0.151 1
1 805 . 16 1 1 A 62 62 PHE CB C 62 38.300 38.773 -0.473 1
1 811 . 16 1 1 A 62 62 PHE N N 62 119.300 120.841 -1.541 1
1 812 . 16 1 1 A 63 63 TYR H H 63 7.850 8.319 -0.469 1
1 813 . 16 1 1 A 63 63 TYR HA H 63 3.870 4.391 -0.521 1
1 820 . 16 1 1 A 63 63 TYR C C 63 180.200 177.954 2.246 1
1 821 . 16 1 1 A 63 63 TYR CA C 63 63.500 62.018 1.482 1
1 822 . 16 1 1 A 63 63 TYR CB C 63 37.100 37.319 -0.219 1
1 827 . 16 1 1 A 63 63 TYR N N 63 116.500 116.948 -0.448 1
1 828 . 16 1 1 A 64 64 ASP H H 64 9.110 8.442 0.668 1
1 829 . 16 1 1 A 64 64 ASP HA H 64 4.650 4.450 0.200 1
1 832 . 16 1 1 A 64 64 ASP C C 64 178.700 178.655 0.045 1
1 833 . 16 1 1 A 64 64 ASP CA C 64 57.600 57.437 0.163 1
1 834 . 16 1 1 A 64 64 ASP CB C 64 39.800 40.910 -1.110 1
1 835 . 16 1 1 A 64 64 ASP N N 64 126.100 121.546 4.554 1
1 836 . 16 1 1 A 65 65 MET H H 65 7.600 8.284 -0.684 1
1 837 . 16 1 1 A 65 65 MET HA H 65 4.140 4.136 0.004 1
1 845 . 16 1 1 A 65 65 MET C C 65 178.800 178.083 0.717 1
1 846 . 16 1 1 A 65 65 MET CA C 65 59.300 58.616 0.684 1
1 847 . 16 1 1 A 65 65 MET CB C 65 32.800 32.942 -0.142 1
1 850 . 16 1 1 A 65 65 MET N N 65 121.100 117.842 3.258 1
1 851 . 16 1 1 A 66 66 ILE H H 66 7.910 8.030 -0.120 1
1 852 . 16 1 1 A 66 66 ILE HA H 66 3.430 3.704 -0.274 1
1 862 . 16 1 1 A 66 66 ILE C C 66 177.000 177.867 -0.867 1
1 863 . 16 1 1 A 66 66 ILE CA C 66 64.500 64.116 0.384 1
1 864 . 16 1 1 A 66 66 ILE CB C 66 36.700 37.270 -0.570 1
1 868 . 16 1 1 A 66 66 ILE N N 66 116.900 116.253 0.647 1
1 869 . 16 1 1 A 67 67 ALA H H 67 7.660 8.143 -0.483 1
1 870 . 16 1 1 A 67 67 ALA HA H 67 3.940 3.995 -0.055 1
1 874 . 16 1 1 A 67 67 ALA C C 67 180.200 179.692 0.508 1
1 875 . 16 1 1 A 67 67 ALA CA C 67 55.600 55.899 -0.299 1
1 876 . 16 1 1 A 67 67 ALA CB C 67 18.000 18.268 -0.268 1
1 877 . 16 1 1 A 67 67 ALA N N 67 120.700 122.131 -1.431 1
1 878 . 16 1 1 A 68 68 GLU H H 68 7.660 7.789 -0.129 1
1 879 . 16 1 1 A 68 68 GLU HA H 68 4.040 4.107 -0.067 1
1 884 . 16 1 1 A 68 68 GLU C C 68 179.000 179.056 -0.056 1
1 885 . 16 1 1 A 68 68 GLU CA C 68 59.300 59.292 0.008 1
1 886 . 16 1 1 A 68 68 GLU CB C 68 29.500 29.116 0.384 1
1 888 . 16 1 1 A 68 68 GLU N N 68 118.700 116.331 2.369 1
1 889 . 16 1 1 A 69 69 ILE H H 69 8.240 7.750 0.490 1
1 890 . 16 1 1 A 69 69 ILE HA H 69 3.630 3.802 -0.172 1
1 900 . 16 1 1 A 69 69 ILE C C 69 178.200 178.314 -0.114 1
1 901 . 16 1 1 A 69 69 ILE CA C 69 65.700 65.923 -0.223 1
1 902 . 16 1 1 A 69 69 ILE CB C 69 38.100 37.843 0.257 1
1 906 . 16 1 1 A 69 69 ILE N N 69 120.700 121.446 -0.746 1
1 907 . 16 1 1 A 70 70 LEU H H 70 8.770 8.902 -0.132 1
1 908 . 16 1 1 A 70 70 LEU HA H 70 3.960 3.929 0.031 1
1 918 . 16 1 1 A 70 70 LEU C C 70 179.300 179.474 -0.174 1
1 919 . 16 1 1 A 70 70 LEU CA C 70 59.100 58.320 0.780 1
1 920 . 16 1 1 A 70 70 LEU CB C 70 43.000 41.466 1.534 1
1 924 . 16 1 1 A 70 70 LEU N N 70 119.100 120.087 -0.987 1
1 925 . 16 1 1 A 71 71 GLN H H 71 7.660 7.795 -0.135 1
1 926 . 16 1 1 A 71 71 GLN HA H 71 3.960 4.135 -0.175 1
1 933 . 16 1 1 A 71 71 GLN C C 71 177.700 178.773 -1.073 1
1 934 . 16 1 1 A 71 71 GLN CA C 71 59.800 59.112 0.688 1
1 935 . 16 1 1 A 71 71 GLN CB C 71 30.000 28.544 1.456 1
1 937 . 16 1 1 A 71 71 GLN N N 71 114.200 118.113 -3.913 1
1 939 . 16 1 1 A 72 72 ARG H H 72 8.180 8.291 -0.111 1
1 940 . 16 1 1 A 72 72 ARG HA H 72 4.000 3.964 0.036 1
1 947 . 16 1 1 A 72 72 ARG C C 72 178.900 177.900 1.000 1
1 948 . 16 1 1 A 72 72 ARG CA C 72 58.900 58.987 -0.087 1
1 949 . 16 1 1 A 72 72 ARG CB C 72 31.100 30.015 1.085 1
1 952 . 16 1 1 A 72 72 ARG N N 72 118.300 120.089 -1.789 1
1 953 . 16 1 1 A 73 73 TYR H H 73 7.970 8.493 -0.523 1
1 954 . 16 1 1 A 73 73 TYR HA H 73 4.800 4.361 0.439 1
1 961 . 16 1 1 A 73 73 TYR C C 73 178.000 178.068 -0.068 1
1 962 . 16 1 1 A 73 73 TYR CA C 73 60.100 59.964 0.136 1
1 963 . 16 1 1 A 73 73 TYR CB C 73 41.200 38.027 3.173 1
1 968 . 16 1 1 A 73 73 TYR N N 73 111.500 118.406 -6.906 1
1 969 . 16 1 1 A 74 74 TYR H H 74 8.750 8.147 0.603 1
1 970 . 16 1 1 A 74 74 TYR HA H 74 4.080 4.201 -0.121 1
1 977 . 16 1 1 A 74 74 TYR C C 74 176.600 177.436 -0.836 1
1 978 . 16 1 1 A 74 74 TYR CA C 74 62.400 61.093 1.307 1
1 979 . 16 1 1 A 74 74 TYR CB C 74 36.100 38.631 -2.531 1
1 984 . 16 1 1 A 74 74 TYR N N 74 121.500 120.996 0.504 1
1 985 . 16 1 1 A 75 75 LYS H H 75 7.760 7.359 0.401 1
1 986 . 16 1 1 A 75 75 LYS HA H 75 3.710 3.735 -0.025 1
1 995 . 16 1 1 A 75 75 LYS C C 75 177.500 178.890 -1.390 1
1 996 . 16 1 1 A 75 75 LYS CA C 75 57.600 58.600 -1.000 1
1 997 . 16 1 1 A 75 75 LYS CB C 75 31.800 32.443 -0.643 1
1 1001 . 16 1 1 A 75 75 LYS N N 75 120.300 120.250 0.050 1
1 1002 . 16 1 1 A 76 76 LYS H H 76 7.510 7.581 -0.071 1
1 1003 . 16 1 1 A 76 76 LYS HA H 76 4.230 3.958 0.272 1
1 1012 . 16 1 1 A 76 76 LYS C C 76 177.900 177.865 0.035 1
1 1013 . 16 1 1 A 76 76 LYS CA C 76 58.300 59.142 -0.842 1
1 1014 . 16 1 1 A 76 76 LYS CB C 76 33.700 32.921 0.779 1
1 1018 . 16 1 1 A 76 76 LYS N N 76 118.000 120.240 -2.240 1
1 1019 . 16 1 1 A 77 77 ILE H H 77 7.610 8.239 -0.629 1
1 1020 . 16 1 1 A 77 77 ILE HA H 77 4.670 4.463 0.207 1
1 1030 . 16 1 1 A 77 77 ILE C C 77 176.000 175.881 0.119 1
1 1031 . 16 1 1 A 77 77 ILE CA C 77 60.600 61.097 -0.497 1
1 1032 . 16 1 1 A 77 77 ILE CB C 77 39.700 40.331 -0.631 1
1 1036 . 16 1 1 A 77 77 ILE N N 77 108.200 112.125 -3.925 1
1 1037 . 16 1 1 A 78 78 GLY H H 78 7.390 7.727 -0.337 1
1 1038 . 16 1 1 A 78 78 GLY HA2 H 78 4.730 4.136 0.594 1
1 1039 . 16 1 1 A 78 78 GLY HA3 H 78 3.970 4.141 -0.171 1
1 1040 . 16 1 1 A 78 78 GLY C C 78 175.800 175.002 0.798 1
1 1041 . 16 1 1 A 78 78 GLY CA C 78 44.900 44.670 0.230 1
1 1042 . 16 1 1 A 78 78 GLY N N 78 112.200 109.831 2.369 1
1 1043 . 16 1 1 A 79 79 ILE H H 79 9.030 8.836 0.194 1
1 1044 . 16 1 1 A 79 79 ILE HA H 79 4.080 4.021 0.059 1
1 1054 . 16 1 1 A 79 79 ILE C C 79 174.700 177.945 -3.245 1
1 1055 . 16 1 1 A 79 79 ILE CA C 79 62.900 63.373 -0.473 1
1 1056 . 16 1 1 A 79 79 ILE CB C 79 38.600 38.208 0.392 1
1 1060 . 16 1 1 A 79 79 ILE N N 79 125.700 122.026 3.674 1
1 1061 . 16 1 1 A 80 80 GLU H H 80 9.480 8.404 1.076 1
1 1062 . 16 1 1 A 80 80 GLU HA H 80 4.070 3.955 0.115 1
1 1067 . 16 1 1 A 80 80 GLU C C 80 179.200 179.690 -0.490 1
1 1068 . 16 1 1 A 80 80 GLU CA C 80 59.700 59.900 -0.200 1
1 1069 . 16 1 1 A 80 80 GLU CB C 80 28.100 29.412 -1.312 1
1 1071 . 16 1 1 A 80 80 GLU N N 80 122.400 122.520 -0.120 1
1 1072 . 16 1 1 A 81 81 ASN H H 81 7.570 8.181 -0.611 1
1 1073 . 16 1 1 A 81 81 ASN HA H 81 4.580 4.606 -0.026 1
1 1078 . 16 1 1 A 81 81 ASN C C 81 177.600 177.976 -0.376 1
1 1079 . 16 1 1 A 81 81 ASN CA C 81 55.600 56.116 -0.516 1
1 1080 . 16 1 1 A 81 81 ASN CB C 81 37.900 38.425 -0.525 1
1 1081 . 16 1 1 A 81 81 ASN N N 81 117.000 117.603 -0.603 1
1 1083 . 16 1 1 A 82 82 VAL H H 82 8.180 7.912 0.268 1
1 1084 . 16 1 1 A 82 82 VAL HA H 82 3.590 3.503 0.087 1
1 1092 . 16 1 1 A 82 82 VAL C C 82 176.900 177.831 -0.931 1
1 1093 . 16 1 1 A 82 82 VAL CA C 82 66.800 66.559 0.241 1
1 1094 . 16 1 1 A 82 82 VAL CB C 82 31.100 31.662 -0.562 1
1 1097 . 16 1 1 A 82 82 VAL N N 82 120.900 120.595 0.305 1
1 1098 . 16 1 1 A 83 83 ASN H H 83 8.440 8.745 -0.305 1
1 1099 . 16 1 1 A 83 83 ASN HA H 83 4.440 4.427 0.013 1
1 1104 . 16 1 1 A 83 83 ASN C C 83 177.700 177.798 -0.098 1
1 1105 . 16 1 1 A 83 83 ASN CA C 83 56.000 56.511 -0.511 1
1 1106 . 16 1 1 A 83 83 ASN CB C 83 37.000 37.723 -0.723 1
1 1107 . 16 1 1 A 83 83 ASN N N 83 120.500 118.980 1.520 1
1 1109 . 16 1 1 A 84 84 GLN H H 84 7.550 7.611 -0.061 1
1 1110 . 16 1 1 A 84 84 GLN HA H 84 4.050 4.065 -0.015 1
1 1117 . 16 1 1 A 84 84 GLN C C 84 179.000 178.594 0.406 1
1 1118 . 16 1 1 A 84 84 GLN CA C 84 58.900 58.666 0.234 1
1 1119 . 16 1 1 A 84 84 GLN CB C 84 28.300 28.154 0.146 1
1 1121 . 16 1 1 A 84 84 GLN N N 84 116.900 119.569 -2.669 1
1 1123 . 16 1 1 A 85 85 LEU H H 85 7.990 8.126 -0.136 1
1 1124 . 16 1 1 A 85 85 LEU HA H 85 4.080 4.061 0.019 1
1 1134 . 16 1 1 A 85 85 LEU C C 85 180.400 179.464 0.936 1
1 1135 . 16 1 1 A 85 85 LEU CA C 85 58.200 58.035 0.165 1
1 1136 . 16 1 1 A 85 85 LEU CB C 85 41.700 41.532 0.168 1
1 1140 . 16 1 1 A 85 85 LEU N N 85 121.300 119.289 2.011 1
1 1141 . 16 1 1 A 86 86 ILE H H 86 8.630 8.416 0.214 1
1 1142 . 16 1 1 A 86 86 ILE HA H 86 3.560 3.623 -0.063 1
1 1152 . 16 1 1 A 86 86 ILE C C 86 177.700 178.631 -0.931 1
1 1153 . 16 1 1 A 86 86 ILE CA C 86 66.600 64.987 1.613 1
1 1154 . 16 1 1 A 86 86 ILE CB C 86 37.800 37.374 0.426 1
1 1158 . 16 1 1 A 86 86 ILE N N 86 122.000 120.692 1.308 1
1 1159 . 16 1 1 A 87 87 LEU H H 87 8.200 8.119 0.081 1
1 1160 . 16 1 1 A 87 87 LEU HA H 87 4.010 4.084 -0.074 1
1 1170 . 16 1 1 A 87 87 LEU C C 87 179.000 179.147 -0.147 1
1 1171 . 16 1 1 A 87 87 LEU CA C 87 58.200 58.071 0.129 1
1 1172 . 16 1 1 A 87 87 LEU CB C 87 40.800 41.953 -1.153 1
1 1176 . 16 1 1 A 87 87 LEU N N 87 118.300 118.967 -0.667 1
1 1177 . 16 1 1 A 88 88 THR H H 88 8.420 8.384 0.036 1
1 1178 . 16 1 1 A 88 88 THR HA H 88 4.000 4.056 -0.056 1
1 1183 . 16 1 1 A 88 88 THR C C 88 176.300 177.282 -0.982 1
1 1184 . 16 1 1 A 88 88 THR CA C 88 66.500 66.158 0.342 1
1 1185 . 16 1 1 A 88 88 THR CB C 88 69.400 68.301 1.099 1
1 1187 . 16 1 1 A 88 88 THR N N 88 112.700 115.889 -3.189 1
1 1188 . 16 1 1 A 89 89 THR H H 89 7.690 7.968 -0.278 1
1 1189 . 16 1 1 A 89 89 THR HA H 89 4.040 3.935 0.105 1
1 1194 . 16 1 1 A 89 89 THR C C 89 175.500 176.959 -1.459 1
1 1195 . 16 1 1 A 89 89 THR CA C 89 67.100 66.876 0.224 1
1 1196 . 16 1 1 A 89 89 THR CB C 89 68.500 68.025 0.475 1
1 1198 . 16 1 1 A 89 89 THR N N 89 116.600 117.693 -1.093 1
1 1199 . 16 1 1 A 90 90 ILE H H 90 8.330 7.646 0.684 1
1 1200 . 16 1 1 A 90 90 ILE HA H 90 4.420 4.216 0.204 1
1 1210 . 16 1 1 A 90 90 ILE C C 90 175.700 176.999 -1.299 1
1 1211 . 16 1 1 A 90 90 ILE CA C 90 62.000 64.399 -2.399 1
1 1212 . 16 1 1 A 90 90 ILE CB C 90 38.500 37.331 1.169 1
1 1216 . 16 1 1 A 90 90 ILE N N 90 125.300 116.528 8.772 1
1 1217 . 16 1 1 A 91 91 LYS H H 91 7.450 7.804 -0.354 1
1 1218 . 16 1 1 A 91 91 LYS HA H 91 3.970 4.345 -0.375 1
1 1227 . 16 1 1 A 91 91 LYS CA C 91 57.200 56.220 0.980 1
1 1228 . 16 1 1 A 91 91 LYS CB C 91 32.900 32.814 0.086 1
1 1 . 17 1 1 A 3 3 ILE H H 3 8.310 7.966 0.344 1
1 2 . 17 1 1 A 3 3 ILE HA H 3 3.740 4.276 -0.536 1
1 12 . 17 1 1 A 3 3 ILE C C 3 175.200 176.915 -1.715 1
1 13 . 17 1 1 A 3 3 ILE CA C 3 64.200 60.555 3.645 1
1 14 . 17 1 1 A 3 3 ILE CB C 3 37.400 40.452 -3.052 1
1 18 . 17 1 1 A 3 3 ILE N N 3 124.900 121.374 3.526 1
1 19 . 17 1 1 A 4 4 LEU H H 4 7.270 7.363 -0.093 1
1 20 . 17 1 1 A 4 4 LEU HA H 4 3.680 4.144 -0.464 1
1 30 . 17 1 1 A 4 4 LEU C C 4 177.300 177.612 -0.312 1
1 31 . 17 1 1 A 4 4 LEU CA C 4 56.300 55.721 0.579 1
1 32 . 17 1 1 A 4 4 LEU CB C 4 41.100 41.037 0.063 1
1 36 . 17 1 1 A 4 4 LEU N N 4 116.100 121.447 -5.347 1
1 37 . 17 1 1 A 5 5 GLU H H 5 7.350 7.926 -0.576 1
1 38 . 17 1 1 A 5 5 GLU HA H 5 4.290 4.324 -0.034 1
1 43 . 17 1 1 A 5 5 GLU C C 5 176.300 175.907 0.393 1
1 44 . 17 1 1 A 5 5 GLU CA C 5 55.200 57.151 -1.951 1
1 45 . 17 1 1 A 5 5 GLU CB C 5 30.000 30.053 -0.053 1
1 47 . 17 1 1 A 5 5 GLU N N 5 114.200 116.844 -2.644 1
1 48 . 17 1 1 A 6 6 ASP H H 6 7.860 7.672 0.188 1
1 49 . 17 1 1 A 6 6 ASP HA H 6 4.830 4.962 -0.132 1
1 52 . 17 1 1 A 6 6 ASP C C 6 175.500 175.959 -0.459 1
1 53 . 17 1 1 A 6 6 ASP CA C 6 53.000 51.581 1.419 1
1 54 . 17 1 1 A 6 6 ASP CB C 6 40.800 43.091 -2.291 1
1 55 . 17 1 1 A 6 6 ASP N N 6 125.000 122.961 2.039 1
1 56 . 17 1 1 A 7 7 PRO HA H 7 4.240 4.352 -0.112 1
1 63 . 17 1 1 A 7 7 PRO C C 7 179.000 178.601 0.399 1
1 64 . 17 1 1 A 7 7 PRO CA C 7 65.700 64.808 0.892 1
1 65 . 17 1 1 A 7 7 PRO CB C 7 32.300 32.187 0.113 1
1 68 . 17 1 1 A 8 8 GLU H H 8 9.250 8.863 0.387 1
1 69 . 17 1 1 A 8 8 GLU HA H 8 4.120 4.102 0.018 1
1 74 . 17 1 1 A 8 8 GLU C C 8 178.100 178.907 -0.807 1
1 75 . 17 1 1 A 8 8 GLU CA C 8 60.000 59.206 0.794 1
1 76 . 17 1 1 A 8 8 GLU CB C 8 29.200 29.225 -0.025 1
1 78 . 17 1 1 A 8 8 GLU N N 8 117.600 118.396 -0.796 1
1 79 . 17 1 1 A 9 9 PHE H H 9 7.640 8.138 -0.498 1
1 80 . 17 1 1 A 9 9 PHE HA H 9 4.130 4.051 0.079 1
1 87 . 17 1 1 A 9 9 PHE C C 9 178.600 177.571 1.029 1
1 88 . 17 1 1 A 9 9 PHE CA C 9 62.200 61.392 0.808 1
1 89 . 17 1 1 A 9 9 PHE CB C 9 40.400 39.182 1.218 1
1 94 . 17 1 1 A 9 9 PHE N N 9 118.200 121.846 -3.646 1
1 95 . 17 1 1 A 10 10 VAL H H 10 8.220 8.157 0.063 1
1 96 . 17 1 1 A 10 10 VAL HA H 10 3.590 3.779 -0.189 1
1 104 . 17 1 1 A 10 10 VAL C C 10 179.400 177.686 1.714 1
1 105 . 17 1 1 A 10 10 VAL CA C 10 66.800 64.650 2.150 1
1 106 . 17 1 1 A 10 10 VAL CB C 10 31.700 31.119 0.581 1
1 109 . 17 1 1 A 10 10 VAL N N 10 120.300 118.763 1.537 1
1 110 . 17 1 1 A 11 11 LYS H H 11 7.760 7.586 0.174 1
1 111 . 17 1 1 A 11 11 LYS HA H 11 4.050 3.988 0.062 1
1 120 . 17 1 1 A 11 11 LYS C C 11 179.000 179.728 -0.728 1
1 121 . 17 1 1 A 11 11 LYS CA C 11 59.300 59.921 -0.621 1
1 122 . 17 1 1 A 11 11 LYS CB C 11 32.600 32.329 0.271 1
1 126 . 17 1 1 A 11 11 LYS N N 11 119.600 122.528 -2.928 1
1 127 . 17 1 1 A 12 12 LEU H H 12 7.750 8.246 -0.496 1
1 128 . 17 1 1 A 12 12 LEU HA H 12 4.190 4.089 0.101 1
1 138 . 17 1 1 A 12 12 LEU C C 12 178.400 179.429 -1.029 1
1 139 . 17 1 1 A 12 12 LEU CA C 12 57.800 58.034 -0.234 1
1 140 . 17 1 1 A 12 12 LEU CB C 12 41.900 41.512 0.388 1
1 144 . 17 1 1 A 12 12 LEU N N 12 119.900 120.355 -0.455 1
1 145 . 17 1 1 A 13 13 ARG H H 13 7.600 8.049 -0.449 1
1 146 . 17 1 1 A 13 13 ARG HA H 13 3.940 3.882 0.058 1
1 153 . 17 1 1 A 13 13 ARG C C 13 178.600 179.080 -0.480 1
1 154 . 17 1 1 A 13 13 ARG CA C 13 59.000 59.604 -0.604 1
1 155 . 17 1 1 A 13 13 ARG CB C 13 30.200 29.836 0.364 1
1 158 . 17 1 1 A 13 13 ARG N N 13 115.300 119.061 -3.761 1
1 159 . 17 1 1 A 14 14 GLN H H 14 7.770 7.589 0.181 1
1 160 . 17 1 1 A 14 14 GLN HA H 14 4.130 4.355 -0.225 1
1 167 . 17 1 1 A 14 14 GLN C C 14 176.500 178.439 -1.939 1
1 168 . 17 1 1 A 14 14 GLN CA C 14 57.100 58.255 -1.155 1
1 169 . 17 1 1 A 14 14 GLN CB C 14 28.200 28.716 -0.516 1
1 171 . 17 1 1 A 14 14 GLN N N 14 116.400 119.129 -2.729 1
1 173 . 17 1 1 A 15 15 PHE H H 15 8.030 8.402 -0.372 1
1 174 . 17 1 1 A 15 15 PHE HA H 15 4.220 4.221 -0.001 1
1 181 . 17 1 1 A 15 15 PHE C C 15 175.200 175.265 -0.065 1
1 182 . 17 1 1 A 15 15 PHE CA C 15 59.100 60.924 -1.824 1
1 183 . 17 1 1 A 15 15 PHE CB C 15 38.800 39.420 -0.620 1
1 188 . 17 1 1 A 15 15 PHE N N 15 116.800 122.940 -6.140 1
1 189 . 17 1 1 A 16 16 LYS H H 16 7.470 8.489 -1.019 1
1 190 . 17 1 1 A 16 16 LYS HA H 16 4.190 4.350 -0.160 1
1 191 . 17 1 1 A 16 16 LYS CA C 16 58.400 57.852 0.548 1
1 192 . 17 1 1 A 16 16 LYS CB C 16 33.300 31.303 1.997 1
1 193 . 17 1 1 A 16 16 LYS N N 16 122.500 117.766 4.734 1
1 194 . 17 1 1 A 17 17 GLY HA2 H 17 3.920 3.595 0.325 1
1 195 . 17 1 1 A 17 17 GLY HA3 H 17 4.210 3.873 0.337 1
1 196 . 17 1 1 A 17 17 GLY C C 17 174.300 174.016 0.284 1
1 197 . 17 1 1 A 17 17 GLY CA C 17 46.200 43.612 2.588 1
1 198 . 17 1 1 A 18 18 LYS H H 18 8.230 8.325 -0.095 1
1 199 . 17 1 1 A 18 18 LYS HA H 18 4.550 4.395 0.155 1
1 208 . 17 1 1 A 18 18 LYS C C 18 175.800 175.946 -0.146 1
1 209 . 17 1 1 A 18 18 LYS CA C 18 56.100 55.809 0.291 1
1 210 . 17 1 1 A 18 18 LYS CB C 18 33.700 32.225 1.475 1
1 214 . 17 1 1 A 18 18 LYS N N 18 118.100 121.611 -3.511 1
1 215 . 17 1 1 A 19 19 VAL H H 19 7.150 7.164 -0.014 1
1 216 . 17 1 1 A 19 19 VAL HA H 19 4.400 4.292 0.108 1
1 224 . 17 1 1 A 19 19 VAL CA C 19 58.800 60.397 -1.597 1
1 225 . 17 1 1 A 19 19 VAL CB C 19 34.300 33.283 1.017 1
1 228 . 17 1 1 A 19 19 VAL N N 19 111.100 117.357 -6.257 1
1 229 . 17 1 1 A 20 20 ASN HA H 20 4.660 4.976 -0.316 1
1 234 . 17 1 1 A 20 20 ASN C C 20 174.600 175.849 -1.249 1
1 235 . 17 1 1 A 20 20 ASN CA C 20 52.700 52.480 0.220 1
1 236 . 17 1 1 A 20 20 ASN CB C 20 37.900 39.123 -1.223 1
1 238 . 17 1 1 A 21 21 PHE H H 21 8.580 9.017 -0.437 1
1 239 . 17 1 1 A 21 21 PHE HA H 21 3.730 3.985 -0.255 1
1 247 . 17 1 1 A 21 21 PHE C C 21 175.300 177.081 -1.781 1
1 248 . 17 1 1 A 21 21 PHE CA C 21 62.500 62.237 0.263 1
1 249 . 17 1 1 A 21 21 PHE CB C 21 40.400 39.491 0.909 1
1 255 . 17 1 1 A 21 21 PHE N N 21 128.200 127.489 0.711 1
1 256 . 17 1 1 A 22 22 ASN H H 22 8.220 8.226 -0.006 1
1 257 . 17 1 1 A 22 22 ASN HA H 22 4.300 4.428 -0.128 1
1 262 . 17 1 1 A 22 22 ASN C C 22 177.800 178.017 -0.217 1
1 263 . 17 1 1 A 22 22 ASN CA C 22 56.400 56.725 -0.325 1
1 264 . 17 1 1 A 22 22 ASN CB C 22 37.900 38.239 -0.339 1
1 265 . 17 1 1 A 22 22 ASN N N 22 114.600 117.932 -3.332 1
1 267 . 17 1 1 A 23 23 LEU H H 23 7.440 7.553 -0.113 1
1 268 . 17 1 1 A 23 23 LEU HA H 23 4.190 4.056 0.134 1
1 278 . 17 1 1 A 23 23 LEU C C 23 177.800 178.593 -0.793 1
1 279 . 17 1 1 A 23 23 LEU CA C 23 56.900 57.775 -0.875 1
1 280 . 17 1 1 A 23 23 LEU CB C 23 41.400 41.768 -0.368 1
1 284 . 17 1 1 A 23 23 LEU N N 23 122.500 120.619 1.881 1
1 285 . 17 1 1 A 24 24 VAL H H 24 7.930 8.407 -0.477 1
1 286 . 17 1 1 A 24 24 VAL HA H 24 3.560 3.563 -0.003 1
1 294 . 17 1 1 A 24 24 VAL C C 24 177.500 177.708 -0.208 1
1 295 . 17 1 1 A 24 24 VAL CA C 24 67.200 67.131 0.069 1
1 296 . 17 1 1 A 24 24 VAL CB C 24 31.000 31.339 -0.339 1
1 299 . 17 1 1 A 24 24 VAL N N 24 119.400 119.130 0.270 1
1 300 . 17 1 1 A 25 25 MET H H 25 8.020 8.205 -0.185 1
1 301 . 17 1 1 A 25 25 MET HA H 25 3.640 4.008 -0.368 1
1 309 . 17 1 1 A 25 25 MET C C 25 176.800 178.230 -1.430 1
1 310 . 17 1 1 A 25 25 MET CA C 25 60.000 58.207 1.793 1
1 311 . 17 1 1 A 25 25 MET CB C 25 32.900 31.555 1.345 1
1 314 . 17 1 1 A 25 25 MET N N 25 116.600 119.035 -2.435 1
1 315 . 17 1 1 A 26 26 GLN H H 26 7.530 7.727 -0.197 1
1 316 . 17 1 1 A 26 26 GLN HA H 26 4.050 4.112 -0.062 1
1 323 . 17 1 1 A 26 26 GLN C C 26 177.800 178.461 -0.661 1
1 324 . 17 1 1 A 26 26 GLN CA C 26 59.100 58.797 0.303 1
1 325 . 17 1 1 A 26 26 GLN CB C 26 28.100 28.454 -0.354 1
1 327 . 17 1 1 A 26 26 GLN N N 26 118.200 118.721 -0.521 1
1 329 . 17 1 1 A 27 27 ILE H H 27 8.230 8.277 -0.047 1
1 330 . 17 1 1 A 27 27 ILE HA H 27 3.350 3.508 -0.158 1
1 340 . 17 1 1 A 27 27 ILE C C 27 177.700 178.547 -0.847 1
1 341 . 17 1 1 A 27 27 ILE CA C 27 65.900 65.819 0.081 1
1 342 . 17 1 1 A 27 27 ILE CB C 27 37.900 38.220 -0.320 1
1 346 . 17 1 1 A 27 27 ILE N N 27 120.700 120.515 0.185 1
1 347 . 17 1 1 A 28 28 LEU H H 28 8.550 8.049 0.501 1
1 348 . 17 1 1 A 28 28 LEU HA H 28 4.020 4.029 -0.009 1
1 358 . 17 1 1 A 28 28 LEU C C 28 179.900 178.575 1.325 1
1 359 . 17 1 1 A 28 28 LEU CA C 28 58.400 58.100 0.300 1
1 360 . 17 1 1 A 28 28 LEU CB C 28 39.700 41.120 -1.420 1
1 364 . 17 1 1 A 28 28 LEU N N 28 118.900 118.830 0.070 1
1 365 . 17 1 1 A 29 29 ASP H H 29 8.470 8.188 0.282 1
1 366 . 17 1 1 A 29 29 ASP HA H 29 4.440 4.263 0.177 1
1 369 . 17 1 1 A 29 29 ASP C C 29 179.600 178.675 0.925 1
1 370 . 17 1 1 A 29 29 ASP CA C 29 57.400 57.748 -0.348 1
1 371 . 17 1 1 A 29 29 ASP CB C 29 40.400 41.301 -0.901 1
1 372 . 17 1 1 A 29 29 ASP N N 29 120.700 119.253 1.447 1
1 373 . 17 1 1 A 30 30 GLU H H 30 8.630 8.653 -0.023 1
1 374 . 17 1 1 A 30 30 GLU HA H 30 3.980 4.113 -0.133 1
1 379 . 17 1 1 A 30 30 GLU C C 30 180.600 178.766 1.834 1
1 380 . 17 1 1 A 30 30 GLU CA C 30 60.000 59.163 0.837 1
1 381 . 17 1 1 A 30 30 GLU CB C 30 29.900 29.557 0.343 1
1 383 . 17 1 1 A 30 30 GLU N N 30 120.800 119.091 1.709 1
1 384 . 17 1 1 A 31 31 ILE H H 31 8.520 7.582 0.938 1
1 385 . 17 1 1 A 31 31 ILE HA H 31 3.540 3.899 -0.359 1
1 395 . 17 1 1 A 31 31 ILE C C 31 176.400 178.079 -1.679 1
1 396 . 17 1 1 A 31 31 ILE CA C 31 66.600 64.141 2.459 1
1 397 . 17 1 1 A 31 31 ILE CB C 31 37.800 37.595 0.205 1
1 401 . 17 1 1 A 31 31 ILE N N 31 123.100 119.894 3.206 1
1 402 . 17 1 1 A 32 32 GLU H H 32 8.070 8.221 -0.151 1
1 403 . 17 1 1 A 32 32 GLU HA H 32 3.730 4.032 -0.302 1
1 408 . 17 1 1 A 32 32 GLU C C 32 178.400 178.917 -0.517 1
1 409 . 17 1 1 A 32 32 GLU CA C 32 60.800 59.357 1.443 1
1 410 . 17 1 1 A 32 32 GLU CB C 32 28.800 29.425 -0.625 1
1 412 . 17 1 1 A 32 32 GLU N N 32 120.300 121.653 -1.353 1
1 413 . 17 1 1 A 33 33 LEU H H 33 8.160 8.404 -0.244 1
1 414 . 17 1 1 A 33 33 LEU HA H 33 3.980 3.959 0.021 1
1 424 . 17 1 1 A 33 33 LEU C C 33 180.100 178.266 1.834 1
1 425 . 17 1 1 A 33 33 LEU CA C 33 58.000 58.078 -0.078 1
1 426 . 17 1 1 A 33 33 LEU CB C 33 42.100 41.409 0.691 1
1 430 . 17 1 1 A 33 33 LEU N N 33 117.900 119.636 -1.736 1
1 431 . 17 1 1 A 34 34 ASP H H 34 8.200 8.068 0.132 1
1 432 . 17 1 1 A 34 34 ASP HA H 34 4.290 4.367 -0.077 1
1 435 . 17 1 1 A 34 34 ASP C C 34 178.600 178.295 0.305 1
1 436 . 17 1 1 A 34 34 ASP CA C 34 58.200 57.495 0.705 1
1 437 . 17 1 1 A 34 34 ASP CB C 34 42.800 41.032 1.768 1
1 438 . 17 1 1 A 34 34 ASP N N 34 120.500 119.794 0.706 1
1 439 . 17 1 1 A 35 35 LEU H H 35 8.630 8.338 0.292 1
1 440 . 17 1 1 A 35 35 LEU HA H 35 4.360 4.065 0.295 1
1 450 . 17 1 1 A 35 35 LEU C C 35 179.000 178.608 0.392 1
1 451 . 17 1 1 A 35 35 LEU CA C 35 56.400 57.458 -1.058 1
1 452 . 17 1 1 A 35 35 LEU CB C 35 42.800 41.306 1.494 1
1 456 . 17 1 1 A 35 35 LEU N N 35 121.300 120.902 0.398 1
1 457 . 17 1 1 A 36 36 ARG H H 36 7.410 7.989 -0.579 1
1 458 . 17 1 1 A 36 36 ARG HA H 36 4.050 4.071 -0.021 1
1 465 . 17 1 1 A 36 36 ARG C C 36 177.800 179.749 -1.949 1
1 466 . 17 1 1 A 36 36 ARG CA C 36 59.000 59.091 -0.091 1
1 467 . 17 1 1 A 36 36 ARG CB C 36 30.000 29.975 0.025 1
1 470 . 17 1 1 A 36 36 ARG N N 36 117.000 119.260 -2.260 1
1 471 . 17 1 1 A 37 37 GLY H H 37 7.580 8.093 -0.513 1
1 472 . 17 1 1 A 37 37 GLY HA2 H 37 3.830 3.729 0.101 1
1 473 . 17 1 1 A 37 37 GLY HA3 H 37 4.280 3.730 0.550 1
1 474 . 17 1 1 A 37 37 GLY C C 37 174.800 175.704 -0.904 1
1 475 . 17 1 1 A 37 37 GLY CA C 37 45.200 47.105 -1.905 1
1 476 . 17 1 1 A 37 37 GLY N N 37 103.600 109.492 -5.892 1
1 477 . 17 1 1 A 38 38 SER H H 38 8.380 8.186 0.194 1
1 478 . 17 1 1 A 38 38 SER HA H 38 4.330 4.703 -0.373 1
1 481 . 17 1 1 A 38 38 SER C C 38 175.100 173.589 1.511 1
1 482 . 17 1 1 A 38 38 SER CA C 38 58.700 57.961 0.739 1
1 483 . 17 1 1 A 38 38 SER CB C 38 63.800 65.181 -1.381 1
1 484 . 17 1 1 A 38 38 SER N N 38 117.800 114.124 3.676 1
1 485 . 17 1 1 A 39 39 ASP H H 39 8.520 7.614 0.906 1
1 486 . 17 1 1 A 39 39 ASP HA H 39 4.470 4.702 -0.232 1
1 489 . 17 1 1 A 39 39 ASP C C 39 175.300 175.297 0.003 1
1 490 . 17 1 1 A 39 39 ASP CA C 39 55.400 52.557 2.843 1
1 491 . 17 1 1 A 39 39 ASP CB C 39 41.500 41.465 0.035 1
1 492 . 17 1 1 A 39 39 ASP N N 39 120.500 120.842 -0.342 1
1 493 . 17 1 1 A 40 40 ASN H H 40 8.230 8.443 -0.213 1
1 494 . 17 1 1 A 40 40 ASN HA H 40 4.800 5.232 -0.432 1
1 499 . 17 1 1 A 40 40 ASN C C 40 174.600 175.824 -1.224 1
1 500 . 17 1 1 A 40 40 ASN CA C 40 52.900 51.913 0.987 1
1 501 . 17 1 1 A 40 40 ASN CB C 40 39.500 41.007 -1.507 1
1 502 . 17 1 1 A 40 40 ASN N N 40 116.100 117.673 -1.573 1
1 504 . 17 1 1 A 41 41 ILE H H 41 8.340 8.537 -0.197 1
1 505 . 17 1 1 A 41 41 ILE HA H 41 3.840 3.809 0.031 1
1 515 . 17 1 1 A 41 41 ILE C C 41 175.000 177.252 -2.252 1
1 516 . 17 1 1 A 41 41 ILE CA C 41 62.500 63.986 -1.486 1
1 517 . 17 1 1 A 41 41 ILE CB C 41 37.600 37.752 -0.152 1
1 521 . 17 1 1 A 41 41 ILE N N 41 124.800 127.099 -2.299 1
1 522 . 17 1 1 A 42 42 LYS H H 42 7.790 8.200 -0.410 1
1 523 . 17 1 1 A 42 42 LYS HA H 42 3.780 3.978 -0.198 1
1 532 . 17 1 1 A 42 42 LYS C C 42 178.300 178.634 -0.334 1
1 533 . 17 1 1 A 42 42 LYS CA C 42 60.200 58.598 1.602 1
1 534 . 17 1 1 A 42 42 LYS CB C 42 31.800 31.666 0.134 1
1 538 . 17 1 1 A 42 42 LYS N N 42 122.100 120.015 2.085 1
1 539 . 17 1 1 A 43 43 THR H H 43 7.500 7.800 -0.300 1
1 540 . 17 1 1 A 43 43 THR HA H 43 3.790 3.687 0.103 1
1 545 . 17 1 1 A 43 43 THR C C 43 177.100 175.727 1.373 1
1 546 . 17 1 1 A 43 43 THR CA C 43 65.900 66.458 -0.558 1
1 547 . 17 1 1 A 43 43 THR CB C 43 68.400 68.461 -0.061 1
1 549 . 17 1 1 A 43 43 THR N N 43 112.900 117.258 -4.358 1
1 550 . 17 1 1 A 44 44 SER H H 44 7.860 8.218 -0.358 1
1 551 . 17 1 1 A 44 44 SER HA H 44 4.570 4.270 0.300 1
1 554 . 17 1 1 A 44 44 SER C C 44 175.100 175.990 -0.890 1
1 555 . 17 1 1 A 44 44 SER CA C 44 63.600 62.157 1.443 1
1 556 . 17 1 1 A 44 44 SER CB C 44 63.900 62.987 0.913 1
1 557 . 17 1 1 A 44 44 SER N N 44 119.700 117.299 2.401 1
1 558 . 17 1 1 A 45 45 ILE H H 45 8.240 7.918 0.322 1
1 559 . 17 1 1 A 45 45 ILE HA H 45 3.140 3.508 -0.368 1
1 569 . 17 1 1 A 45 45 ILE C C 45 176.500 177.948 -1.448 1
1 570 . 17 1 1 A 45 45 ILE CA C 45 66.200 64.902 1.298 1
1 571 . 17 1 1 A 45 45 ILE CB C 45 37.800 37.564 0.236 1
1 575 . 17 1 1 A 45 45 ILE N N 45 121.300 120.713 0.587 1
1 576 . 17 1 1 A 46 46 ILE H H 46 7.680 7.579 0.101 1
1 577 . 17 1 1 A 46 46 ILE HA H 46 3.480 3.505 -0.025 1
1 587 . 17 1 1 A 46 46 ILE C C 46 178.900 177.781 1.119 1
1 588 . 17 1 1 A 46 46 ILE CA C 46 65.300 65.161 0.139 1
1 589 . 17 1 1 A 46 46 ILE CB C 46 37.800 37.867 -0.067 1
1 593 . 17 1 1 A 46 46 ILE N N 46 117.100 119.787 -2.687 1
1 594 . 17 1 1 A 47 47 TYR H H 47 8.400 7.540 0.860 1
1 595 . 17 1 1 A 47 47 TYR HA H 47 4.190 4.393 -0.203 1
1 602 . 17 1 1 A 47 47 TYR C C 47 178.700 178.588 0.112 1
1 603 . 17 1 1 A 47 47 TYR CA C 47 61.300 61.021 0.279 1
1 604 . 17 1 1 A 47 47 TYR CB C 47 38.400 38.488 -0.088 1
1 609 . 17 1 1 A 47 47 TYR N N 47 120.900 120.006 0.894 1
1 610 . 17 1 1 A 48 48 VAL H H 48 8.480 7.944 0.536 1
1 611 . 17 1 1 A 48 48 VAL HA H 48 3.560 3.794 -0.234 1
1 619 . 17 1 1 A 48 48 VAL C C 48 179.600 177.979 1.621 1
1 620 . 17 1 1 A 48 48 VAL CA C 48 67.000 66.410 0.590 1
1 621 . 17 1 1 A 48 48 VAL CB C 48 31.700 31.791 -0.091 1
1 624 . 17 1 1 A 48 48 VAL N N 48 121.600 119.743 1.857 1
1 625 . 17 1 1 A 49 49 TYR H H 49 9.630 8.431 1.199 1
1 626 . 17 1 1 A 49 49 TYR HA H 49 4.080 4.134 -0.054 1
1 633 . 17 1 1 A 49 49 TYR C C 49 179.300 178.233 1.067 1
1 634 . 17 1 1 A 49 49 TYR CA C 49 59.900 60.704 -0.804 1
1 635 . 17 1 1 A 49 49 TYR CB C 49 35.300 37.686 -2.386 1
1 640 . 17 1 1 A 49 49 TYR N N 49 122.000 119.570 2.430 1
1 641 . 17 1 1 A 50 50 SER H H 50 8.120 8.350 -0.230 1
1 642 . 17 1 1 A 50 50 SER HA H 50 4.130 4.174 -0.044 1
1 645 . 17 1 1 A 50 50 SER C C 50 175.700 176.802 -1.102 1
1 646 . 17 1 1 A 50 50 SER CA C 50 62.000 61.290 0.710 1
1 647 . 17 1 1 A 50 50 SER CB C 50 62.900 63.203 -0.303 1
1 648 . 17 1 1 A 50 50 SER N N 50 112.600 115.795 -3.195 1
1 649 . 17 1 1 A 51 51 SER H H 51 7.510 7.782 -0.272 1
1 650 . 17 1 1 A 51 51 SER HA H 51 4.350 4.263 0.087 1
1 653 . 17 1 1 A 51 51 SER C C 51 173.600 175.897 -2.297 1
1 654 . 17 1 1 A 51 51 SER CA C 51 59.500 61.458 -1.958 1
1 655 . 17 1 1 A 51 51 SER CB C 51 63.300 62.943 0.357 1
1 656 . 17 1 1 A 51 51 SER N N 51 116.800 115.417 1.383 1
1 657 . 17 1 1 A 52 52 HIS H H 52 7.590 8.313 -0.723 1
1 658 . 17 1 1 A 52 52 HIS HA H 52 4.890 4.842 0.048 1
1 663 . 17 1 1 A 52 52 HIS C C 52 175.200 175.513 -0.313 1
1 664 . 17 1 1 A 52 52 HIS CA C 52 54.100 54.628 -0.528 1
1 665 . 17 1 1 A 52 52 HIS CB C 52 29.500 28.992 0.508 1
1 668 . 17 1 1 A 52 52 HIS N N 52 120.500 116.109 4.391 1
1 669 . 17 1 1 A 53 53 LEU H H 53 7.440 7.771 -0.331 1
1 670 . 17 1 1 A 53 53 LEU HA H 53 3.870 3.717 0.153 1
1 680 . 17 1 1 A 53 53 LEU C C 53 177.900 178.474 -0.574 1
1 681 . 17 1 1 A 53 53 LEU CA C 53 59.100 58.175 0.925 1
1 682 . 17 1 1 A 53 53 LEU CB C 53 42.300 41.286 1.014 1
1 686 . 17 1 1 A 53 53 LEU N N 53 121.400 121.078 0.322 1
1 687 . 17 1 1 A 54 54 ASP H H 54 8.400 8.124 0.276 1
1 688 . 17 1 1 A 54 54 ASP HA H 54 4.290 4.241 0.049 1
1 691 . 17 1 1 A 54 54 ASP C C 54 177.900 179.010 -1.110 1
1 692 . 17 1 1 A 54 54 ASP CA C 54 57.600 57.578 0.022 1
1 693 . 17 1 1 A 54 54 ASP CB C 54 40.200 42.180 -1.980 1
1 694 . 17 1 1 A 54 54 ASP N N 54 115.900 119.610 -3.710 1
1 695 . 17 1 1 A 55 55 GLU H H 55 7.500 7.693 -0.193 1
1 696 . 17 1 1 A 55 55 GLU HA H 55 4.310 4.188 0.122 1
1 701 . 17 1 1 A 55 55 GLU C C 55 178.300 179.131 -0.831 1
1 702 . 17 1 1 A 55 55 GLU CA C 55 57.800 58.721 -0.921 1
1 703 . 17 1 1 A 55 55 GLU CB C 55 29.100 29.306 -0.206 1
1 705 . 17 1 1 A 55 55 GLU N N 55 120.100 118.814 1.286 1
1 706 . 17 1 1 A 56 56 ILE H H 56 7.720 7.592 0.128 1
1 707 . 17 1 1 A 56 56 ILE HA H 56 3.440 2.949 0.491 1
1 717 . 17 1 1 A 56 56 ILE C C 56 178.600 178.278 0.322 1
1 718 . 17 1 1 A 56 56 ILE CA C 56 62.500 65.050 -2.550 1
1 719 . 17 1 1 A 56 56 ILE CB C 56 36.200 37.776 -1.576 1
1 723 . 17 1 1 A 56 56 ILE N N 56 119.600 120.525 -0.925 1
1 724 . 17 1 1 A 57 57 ARG H H 57 8.200 8.478 -0.278 1
1 725 . 17 1 1 A 57 57 ARG HA H 57 3.930 4.169 -0.239 1
1 732 . 17 1 1 A 57 57 ARG C C 57 178.800 178.819 -0.019 1
1 733 . 17 1 1 A 57 57 ARG CA C 57 59.000 57.942 1.058 1
1 734 . 17 1 1 A 57 57 ARG CB C 57 30.100 29.397 0.703 1
1 737 . 17 1 1 A 57 57 ARG N N 57 115.500 120.424 -4.924 1
1 738 . 17 1 1 A 58 58 LYS H H 58 7.400 7.497 -0.097 1
1 739 . 17 1 1 A 58 58 LYS HA H 58 4.210 4.141 0.069 1
1 748 . 17 1 1 A 58 58 LYS C C 58 176.800 177.217 -0.417 1
1 749 . 17 1 1 A 58 58 LYS CA C 58 58.100 59.149 -1.049 1
1 750 . 17 1 1 A 58 58 LYS CB C 58 33.100 33.473 -0.373 1
1 754 . 17 1 1 A 58 58 LYS N N 58 117.400 120.567 -3.167 1
1 755 . 17 1 1 A 59 59 ASN H H 59 7.630 7.897 -0.267 1
1 756 . 17 1 1 A 59 59 ASN HA H 59 5.310 5.328 -0.018 1
1 761 . 17 1 1 A 59 59 ASN C C 59 174.900 175.608 -0.708 1
1 762 . 17 1 1 A 59 59 ASN CA C 59 52.100 52.504 -0.404 1
1 763 . 17 1 1 A 59 59 ASN CB C 59 40.200 38.950 1.250 1
1 764 . 17 1 1 A 59 59 ASN N N 59 119.200 115.602 3.598 1
1 766 . 17 1 1 A 60 60 LYS H H 60 7.460 8.268 -0.808 1
1 767 . 17 1 1 A 60 60 LYS HA H 60 4.070 4.518 -0.448 1
1 776 . 17 1 1 A 60 60 LYS C C 60 177.900 178.415 -0.515 1
1 777 . 17 1 1 A 60 60 LYS CA C 60 61.100 59.728 1.372 1
1 778 . 17 1 1 A 60 60 LYS CB C 60 33.300 32.099 1.201 1
1 782 . 17 1 1 A 60 60 LYS N N 60 122.700 119.054 3.646 1
1 783 . 17 1 1 A 61 61 GLU H H 61 8.660 8.200 0.460 1
1 784 . 17 1 1 A 61 61 GLU HA H 61 4.080 4.069 0.011 1
1 789 . 17 1 1 A 61 61 GLU C C 61 178.900 179.003 -0.103 1
1 790 . 17 1 1 A 61 61 GLU CA C 61 60.100 59.109 0.991 1
1 791 . 17 1 1 A 61 61 GLU CB C 61 29.100 29.558 -0.458 1
1 793 . 17 1 1 A 61 61 GLU N N 61 117.300 119.807 -2.507 1
1 794 . 17 1 1 A 62 62 PHE H H 62 7.670 8.058 -0.388 1
1 795 . 17 1 1 A 62 62 PHE HA H 62 3.420 4.243 -0.823 1
1 803 . 17 1 1 A 62 62 PHE C C 62 176.200 176.978 -0.778 1
1 804 . 17 1 1 A 62 62 PHE CA C 62 60.900 61.456 -0.556 1
1 805 . 17 1 1 A 62 62 PHE CB C 62 38.300 39.166 -0.866 1
1 811 . 17 1 1 A 62 62 PHE N N 62 119.300 121.674 -2.374 1
1 812 . 17 1 1 A 63 63 TYR H H 63 7.850 8.288 -0.438 1
1 813 . 17 1 1 A 63 63 TYR HA H 63 3.870 4.208 -0.338 1
1 820 . 17 1 1 A 63 63 TYR C C 63 180.200 177.562 2.638 1
1 821 . 17 1 1 A 63 63 TYR CA C 63 63.500 62.115 1.385 1
1 822 . 17 1 1 A 63 63 TYR CB C 63 37.100 37.469 -0.369 1
1 827 . 17 1 1 A 63 63 TYR N N 63 116.500 118.121 -1.621 1
1 828 . 17 1 1 A 64 64 ASP H H 64 9.110 8.668 0.442 1
1 829 . 17 1 1 A 64 64 ASP HA H 64 4.650 4.418 0.232 1
1 832 . 17 1 1 A 64 64 ASP C C 64 178.700 178.600 0.100 1
1 833 . 17 1 1 A 64 64 ASP CA C 64 57.600 57.739 -0.139 1
1 834 . 17 1 1 A 64 64 ASP CB C 64 39.800 41.304 -1.504 1
1 835 . 17 1 1 A 64 64 ASP N N 64 126.100 120.830 5.270 1
1 836 . 17 1 1 A 65 65 MET H H 65 7.600 8.044 -0.444 1
1 837 . 17 1 1 A 65 65 MET HA H 65 4.140 4.209 -0.069 1
1 845 . 17 1 1 A 65 65 MET C C 65 178.800 178.128 0.672 1
1 846 . 17 1 1 A 65 65 MET CA C 65 59.300 58.355 0.945 1
1 847 . 17 1 1 A 65 65 MET CB C 65 32.800 33.014 -0.214 1
1 850 . 17 1 1 A 65 65 MET N N 65 121.100 117.800 3.300 1
1 851 . 17 1 1 A 66 66 ILE H H 66 7.910 7.997 -0.087 1
1 852 . 17 1 1 A 66 66 ILE HA H 66 3.430 3.792 -0.362 1
1 862 . 17 1 1 A 66 66 ILE C C 66 177.000 177.951 -0.951 1
1 863 . 17 1 1 A 66 66 ILE CA C 66 64.500 63.958 0.542 1
1 864 . 17 1 1 A 66 66 ILE CB C 66 36.700 37.319 -0.619 1
1 868 . 17 1 1 A 66 66 ILE N N 66 116.900 116.348 0.552 1
1 869 . 17 1 1 A 67 67 ALA H H 67 7.660 8.659 -0.999 1
1 870 . 17 1 1 A 67 67 ALA HA H 67 3.940 3.950 -0.010 1
1 874 . 17 1 1 A 67 67 ALA C C 67 180.200 179.179 1.021 1
1 875 . 17 1 1 A 67 67 ALA CA C 67 55.600 55.598 0.002 1
1 876 . 17 1 1 A 67 67 ALA CB C 67 18.000 18.150 -0.150 1
1 877 . 17 1 1 A 67 67 ALA N N 67 120.700 123.339 -2.639 1
1 878 . 17 1 1 A 68 68 GLU H H 68 7.660 7.753 -0.093 1
1 879 . 17 1 1 A 68 68 GLU HA H 68 4.040 4.045 -0.005 1
1 884 . 17 1 1 A 68 68 GLU C C 68 179.000 178.988 0.012 1
1 885 . 17 1 1 A 68 68 GLU CA C 68 59.300 59.562 -0.262 1
1 886 . 17 1 1 A 68 68 GLU CB C 68 29.500 29.654 -0.154 1
1 888 . 17 1 1 A 68 68 GLU N N 68 118.700 118.621 0.079 1
1 889 . 17 1 1 A 69 69 ILE H H 69 8.240 8.288 -0.048 1
1 890 . 17 1 1 A 69 69 ILE HA H 69 3.630 3.836 -0.206 1
1 900 . 17 1 1 A 69 69 ILE C C 69 178.200 178.506 -0.306 1
1 901 . 17 1 1 A 69 69 ILE CA C 69 65.700 65.537 0.163 1
1 902 . 17 1 1 A 69 69 ILE CB C 69 38.100 37.398 0.702 1
1 906 . 17 1 1 A 69 69 ILE N N 69 120.700 119.184 1.516 1
1 907 . 17 1 1 A 70 70 LEU H H 70 8.770 8.835 -0.065 1
1 908 . 17 1 1 A 70 70 LEU HA H 70 3.960 3.933 0.027 1
1 918 . 17 1 1 A 70 70 LEU C C 70 179.300 179.503 -0.203 1
1 919 . 17 1 1 A 70 70 LEU CA C 70 59.100 58.286 0.814 1
1 920 . 17 1 1 A 70 70 LEU CB C 70 43.000 41.646 1.354 1
1 924 . 17 1 1 A 70 70 LEU N N 70 119.100 120.522 -1.422 1
1 925 . 17 1 1 A 71 71 GLN H H 71 7.660 7.725 -0.065 1
1 926 . 17 1 1 A 71 71 GLN HA H 71 3.960 4.074 -0.114 1
1 933 . 17 1 1 A 71 71 GLN C C 71 177.700 178.880 -1.180 1
1 934 . 17 1 1 A 71 71 GLN CA C 71 59.800 59.136 0.664 1
1 935 . 17 1 1 A 71 71 GLN CB C 71 30.000 28.529 1.471 1
1 937 . 17 1 1 A 71 71 GLN N N 71 114.200 117.827 -3.627 1
1 939 . 17 1 1 A 72 72 ARG H H 72 8.180 8.114 0.066 1
1 940 . 17 1 1 A 72 72 ARG HA H 72 4.000 3.976 0.024 1
1 947 . 17 1 1 A 72 72 ARG C C 72 178.900 177.572 1.328 1
1 948 . 17 1 1 A 72 72 ARG CA C 72 58.900 58.949 -0.049 1
1 949 . 17 1 1 A 72 72 ARG CB C 72 31.100 29.832 1.268 1
1 952 . 17 1 1 A 72 72 ARG N N 72 118.300 120.389 -2.089 1
1 953 . 17 1 1 A 73 73 TYR H H 73 7.970 8.095 -0.125 1
1 954 . 17 1 1 A 73 73 TYR HA H 73 4.800 4.456 0.344 1
1 961 . 17 1 1 A 73 73 TYR C C 73 178.000 177.382 0.618 1
1 962 . 17 1 1 A 73 73 TYR CA C 73 60.100 59.203 0.897 1
1 963 . 17 1 1 A 73 73 TYR CB C 73 41.200 39.998 1.202 1
1 968 . 17 1 1 A 73 73 TYR N N 73 111.500 117.096 -5.596 1
1 969 . 17 1 1 A 74 74 TYR H H 74 8.750 8.148 0.602 1
1 970 . 17 1 1 A 74 74 TYR HA H 74 4.080 4.244 -0.164 1
1 977 . 17 1 1 A 74 74 TYR C C 74 176.600 177.530 -0.930 1
1 978 . 17 1 1 A 74 74 TYR CA C 74 62.400 60.694 1.706 1
1 979 . 17 1 1 A 74 74 TYR CB C 74 36.100 38.697 -2.597 1
1 984 . 17 1 1 A 74 74 TYR N N 74 121.500 120.479 1.021 1
1 985 . 17 1 1 A 75 75 LYS H H 75 7.760 7.631 0.129 1
1 986 . 17 1 1 A 75 75 LYS HA H 75 3.710 3.820 -0.110 1
1 995 . 17 1 1 A 75 75 LYS C C 75 177.500 177.413 0.087 1
1 996 . 17 1 1 A 75 75 LYS CA C 75 57.600 58.055 -0.455 1
1 997 . 17 1 1 A 75 75 LYS CB C 75 31.800 32.498 -0.698 1
1 1001 . 17 1 1 A 75 75 LYS N N 75 120.300 117.971 2.329 1
1 1002 . 17 1 1 A 76 76 LYS H H 76 7.510 7.675 -0.165 1
1 1003 . 17 1 1 A 76 76 LYS HA H 76 4.230 4.249 -0.019 1
1 1012 . 17 1 1 A 76 76 LYS C C 76 177.900 178.388 -0.488 1
1 1013 . 17 1 1 A 76 76 LYS CA C 76 58.300 57.412 0.888 1
1 1014 . 17 1 1 A 76 76 LYS CB C 76 33.700 33.720 -0.020 1
1 1018 . 17 1 1 A 76 76 LYS N N 76 118.000 117.202 0.798 1
1 1019 . 17 1 1 A 77 77 ILE H H 77 7.610 8.267 -0.657 1
1 1020 . 17 1 1 A 77 77 ILE HA H 77 4.670 4.430 0.240 1
1 1030 . 17 1 1 A 77 77 ILE C C 77 176.000 175.980 0.020 1
1 1031 . 17 1 1 A 77 77 ILE CA C 77 60.600 61.060 -0.460 1
1 1032 . 17 1 1 A 77 77 ILE CB C 77 39.700 40.217 -0.517 1
1 1036 . 17 1 1 A 77 77 ILE N N 77 108.200 112.098 -3.898 1
1 1037 . 17 1 1 A 78 78 GLY H H 78 7.390 7.455 -0.065 1
1 1038 . 17 1 1 A 78 78 GLY HA2 H 78 4.730 4.113 0.617 1
1 1039 . 17 1 1 A 78 78 GLY HA3 H 78 3.970 4.122 -0.152 1
1 1040 . 17 1 1 A 78 78 GLY C C 78 175.800 175.030 0.770 1
1 1041 . 17 1 1 A 78 78 GLY CA C 78 44.900 44.529 0.371 1
1 1042 . 17 1 1 A 78 78 GLY N N 78 112.200 109.906 2.294 1
1 1043 . 17 1 1 A 79 79 ILE H H 79 9.030 8.978 0.052 1
1 1044 . 17 1 1 A 79 79 ILE HA H 79 4.080 4.046 0.034 1
1 1054 . 17 1 1 A 79 79 ILE C C 79 174.700 177.889 -3.189 1
1 1055 . 17 1 1 A 79 79 ILE CA C 79 62.900 63.441 -0.541 1
1 1056 . 17 1 1 A 79 79 ILE CB C 79 38.600 38.020 0.580 1
1 1060 . 17 1 1 A 79 79 ILE N N 79 125.700 122.031 3.669 1
1 1061 . 17 1 1 A 80 80 GLU H H 80 9.480 8.212 1.268 1
1 1062 . 17 1 1 A 80 80 GLU HA H 80 4.070 3.965 0.105 1
1 1067 . 17 1 1 A 80 80 GLU C C 80 179.200 179.603 -0.403 1
1 1068 . 17 1 1 A 80 80 GLU CA C 80 59.700 59.753 -0.053 1
1 1069 . 17 1 1 A 80 80 GLU CB C 80 28.100 29.453 -1.353 1
1 1071 . 17 1 1 A 80 80 GLU N N 80 122.400 121.822 0.578 1
1 1072 . 17 1 1 A 81 81 ASN H H 81 7.570 8.118 -0.548 1
1 1073 . 17 1 1 A 81 81 ASN HA H 81 4.580 4.565 0.015 1
1 1078 . 17 1 1 A 81 81 ASN C C 81 177.600 177.969 -0.369 1
1 1079 . 17 1 1 A 81 81 ASN CA C 81 55.600 56.256 -0.656 1
1 1080 . 17 1 1 A 81 81 ASN CB C 81 37.900 38.664 -0.764 1
1 1081 . 17 1 1 A 81 81 ASN N N 81 117.000 118.300 -1.300 1
1 1083 . 17 1 1 A 82 82 VAL H H 82 8.180 8.053 0.127 1
1 1084 . 17 1 1 A 82 82 VAL HA H 82 3.590 3.539 0.051 1
1 1092 . 17 1 1 A 82 82 VAL C C 82 176.900 177.869 -0.969 1
1 1093 . 17 1 1 A 82 82 VAL CA C 82 66.800 66.647 0.153 1
1 1094 . 17 1 1 A 82 82 VAL CB C 82 31.100 31.737 -0.637 1
1 1097 . 17 1 1 A 82 82 VAL N N 82 120.900 120.415 0.485 1
1 1098 . 17 1 1 A 83 83 ASN H H 83 8.440 8.959 -0.519 1
1 1099 . 17 1 1 A 83 83 ASN HA H 83 4.440 4.452 -0.012 1
1 1104 . 17 1 1 A 83 83 ASN C C 83 177.700 177.724 -0.024 1
1 1105 . 17 1 1 A 83 83 ASN CA C 83 56.000 56.495 -0.495 1
1 1106 . 17 1 1 A 83 83 ASN CB C 83 37.000 37.695 -0.695 1
1 1107 . 17 1 1 A 83 83 ASN N N 83 120.500 119.078 1.422 1
1 1109 . 17 1 1 A 84 84 GLN H H 84 7.550 7.582 -0.032 1
1 1110 . 17 1 1 A 84 84 GLN HA H 84 4.050 4.120 -0.070 1
1 1117 . 17 1 1 A 84 84 GLN C C 84 179.000 178.757 0.243 1
1 1118 . 17 1 1 A 84 84 GLN CA C 84 58.900 58.635 0.265 1
1 1119 . 17 1 1 A 84 84 GLN CB C 84 28.300 28.127 0.173 1
1 1121 . 17 1 1 A 84 84 GLN N N 84 116.900 119.530 -2.630 1
1 1123 . 17 1 1 A 85 85 LEU H H 85 7.990 8.308 -0.318 1
1 1124 . 17 1 1 A 85 85 LEU HA H 85 4.080 4.131 -0.051 1
1 1134 . 17 1 1 A 85 85 LEU C C 85 180.400 179.191 1.209 1
1 1135 . 17 1 1 A 85 85 LEU CA C 85 58.200 58.138 0.062 1
1 1136 . 17 1 1 A 85 85 LEU CB C 85 41.700 41.682 0.018 1
1 1140 . 17 1 1 A 85 85 LEU N N 85 121.300 119.410 1.890 1
1 1141 . 17 1 1 A 86 86 ILE H H 86 8.630 8.612 0.018 1
1 1142 . 17 1 1 A 86 86 ILE HA H 86 3.560 3.787 -0.227 1
1 1152 . 17 1 1 A 86 86 ILE C C 86 177.700 178.674 -0.974 1
1 1153 . 17 1 1 A 86 86 ILE CA C 86 66.600 64.923 1.677 1
1 1154 . 17 1 1 A 86 86 ILE CB C 86 37.800 36.734 1.066 1
1 1158 . 17 1 1 A 86 86 ILE N N 86 122.000 120.263 1.737 1
1 1159 . 17 1 1 A 87 87 LEU H H 87 8.200 7.926 0.274 1
1 1160 . 17 1 1 A 87 87 LEU HA H 87 4.010 4.152 -0.142 1
1 1170 . 17 1 1 A 87 87 LEU C C 87 179.000 179.548 -0.548 1
1 1171 . 17 1 1 A 87 87 LEU CA C 87 58.200 58.139 0.061 1
1 1172 . 17 1 1 A 87 87 LEU CB C 87 40.800 41.838 -1.038 1
1 1176 . 17 1 1 A 87 87 LEU N N 87 118.300 119.018 -0.718 1
1 1177 . 17 1 1 A 88 88 THR H H 88 8.420 8.323 0.097 1
1 1178 . 17 1 1 A 88 88 THR HA H 88 4.000 4.077 -0.077 1
1 1183 . 17 1 1 A 88 88 THR C C 88 176.300 177.057 -0.757 1
1 1184 . 17 1 1 A 88 88 THR CA C 88 66.500 66.146 0.354 1
1 1185 . 17 1 1 A 88 88 THR CB C 88 69.400 68.435 0.965 1
1 1187 . 17 1 1 A 88 88 THR N N 88 112.700 116.245 -3.545 1
1 1188 . 17 1 1 A 89 89 THR H H 89 7.690 8.088 -0.398 1
1 1189 . 17 1 1 A 89 89 THR HA H 89 4.040 4.038 0.002 1
1 1194 . 17 1 1 A 89 89 THR C C 89 175.500 176.671 -1.171 1
1 1195 . 17 1 1 A 89 89 THR CA C 89 67.100 66.979 0.121 1
1 1196 . 17 1 1 A 89 89 THR CB C 89 68.500 68.095 0.405 1
1 1198 . 17 1 1 A 89 89 THR N N 89 116.600 117.843 -1.243 1
1 1199 . 17 1 1 A 90 90 ILE H H 90 8.330 7.272 1.058 1
1 1200 . 17 1 1 A 90 90 ILE HA H 90 4.420 4.116 0.304 1
1 1210 . 17 1 1 A 90 90 ILE C C 90 175.700 176.225 -0.525 1
1 1211 . 17 1 1 A 90 90 ILE CA C 90 62.000 63.290 -1.290 1
1 1212 . 17 1 1 A 90 90 ILE CB C 90 38.500 38.514 -0.014 1
1 1216 . 17 1 1 A 90 90 ILE N N 90 125.300 115.556 9.744 1
1 1217 . 17 1 1 A 91 91 LYS H H 91 7.450 8.001 -0.551 1
1 1218 . 17 1 1 A 91 91 LYS HA H 91 3.970 4.498 -0.528 1
1 1227 . 17 1 1 A 91 91 LYS CA C 91 57.200 55.193 2.007 1
1 1228 . 17 1 1 A 91 91 LYS CB C 91 32.900 33.219 -0.319 1
1 1 . 18 1 1 A 3 3 ILE H H 3 8.310 7.727 0.583 1
1 2 . 18 1 1 A 3 3 ILE HA H 3 3.740 3.940 -0.200 1
1 12 . 18 1 1 A 3 3 ILE C C 3 175.200 176.523 -1.323 1
1 13 . 18 1 1 A 3 3 ILE CA C 3 64.200 61.307 2.893 1
1 14 . 18 1 1 A 3 3 ILE CB C 3 37.400 40.572 -3.172 1
1 18 . 18 1 1 A 3 3 ILE N N 3 124.900 119.764 5.136 1
1 19 . 18 1 1 A 4 4 LEU H H 4 7.270 7.505 -0.235 1
1 20 . 18 1 1 A 4 4 LEU HA H 4 3.680 4.178 -0.498 1
1 30 . 18 1 1 A 4 4 LEU C C 4 177.300 178.571 -1.271 1
1 31 . 18 1 1 A 4 4 LEU CA C 4 56.300 56.360 -0.060 1
1 32 . 18 1 1 A 4 4 LEU CB C 4 41.100 41.216 -0.116 1
1 36 . 18 1 1 A 4 4 LEU N N 4 116.100 122.444 -6.344 1
1 37 . 18 1 1 A 5 5 GLU H H 5 7.350 7.862 -0.512 1
1 38 . 18 1 1 A 5 5 GLU HA H 5 4.290 4.254 0.036 1
1 43 . 18 1 1 A 5 5 GLU C C 5 176.300 176.472 -0.172 1
1 44 . 18 1 1 A 5 5 GLU CA C 5 55.200 59.540 -4.340 1
1 45 . 18 1 1 A 5 5 GLU CB C 5 30.000 29.911 0.089 1
1 47 . 18 1 1 A 5 5 GLU N N 5 114.200 117.094 -2.894 1
1 48 . 18 1 1 A 6 6 ASP H H 6 7.860 7.875 -0.015 1
1 49 . 18 1 1 A 6 6 ASP HA H 6 4.830 4.940 -0.110 1
1 52 . 18 1 1 A 6 6 ASP C C 6 175.500 175.793 -0.293 1
1 53 . 18 1 1 A 6 6 ASP CA C 6 53.000 51.624 1.376 1
1 54 . 18 1 1 A 6 6 ASP CB C 6 40.800 42.713 -1.913 1
1 55 . 18 1 1 A 6 6 ASP N N 6 125.000 120.900 4.100 1
1 56 . 18 1 1 A 7 7 PRO HA H 7 4.240 4.334 -0.094 1
1 63 . 18 1 1 A 7 7 PRO C C 7 179.000 178.672 0.328 1
1 64 . 18 1 1 A 7 7 PRO CA C 7 65.700 64.865 0.835 1
1 65 . 18 1 1 A 7 7 PRO CB C 7 32.300 32.152 0.148 1
1 68 . 18 1 1 A 8 8 GLU H H 8 9.250 8.676 0.574 1
1 69 . 18 1 1 A 8 8 GLU HA H 8 4.120 4.108 0.012 1
1 74 . 18 1 1 A 8 8 GLU C C 8 178.100 179.035 -0.935 1
1 75 . 18 1 1 A 8 8 GLU CA C 8 60.000 59.170 0.830 1
1 76 . 18 1 1 A 8 8 GLU CB C 8 29.200 29.400 -0.200 1
1 78 . 18 1 1 A 8 8 GLU N N 8 117.600 118.391 -0.791 1
1 79 . 18 1 1 A 9 9 PHE H H 9 7.640 8.225 -0.585 1
1 80 . 18 1 1 A 9 9 PHE HA H 9 4.130 4.032 0.098 1
1 87 . 18 1 1 A 9 9 PHE C C 9 178.600 177.680 0.920 1
1 88 . 18 1 1 A 9 9 PHE CA C 9 62.200 61.404 0.796 1
1 89 . 18 1 1 A 9 9 PHE CB C 9 40.400 39.234 1.166 1
1 94 . 18 1 1 A 9 9 PHE N N 9 118.200 122.663 -4.463 1
1 95 . 18 1 1 A 10 10 VAL H H 10 8.220 7.863 0.357 1
1 96 . 18 1 1 A 10 10 VAL HA H 10 3.590 3.808 -0.218 1
1 104 . 18 1 1 A 10 10 VAL C C 10 179.400 177.743 1.657 1
1 105 . 18 1 1 A 10 10 VAL CA C 10 66.800 64.433 2.367 1
1 106 . 18 1 1 A 10 10 VAL CB C 10 31.700 31.443 0.257 1
1 109 . 18 1 1 A 10 10 VAL N N 10 120.300 118.769 1.531 1
1 110 . 18 1 1 A 11 11 LYS H H 11 7.760 7.816 -0.056 1
1 111 . 18 1 1 A 11 11 LYS HA H 11 4.050 4.059 -0.009 1
1 120 . 18 1 1 A 11 11 LYS C C 11 179.000 179.777 -0.777 1
1 121 . 18 1 1 A 11 11 LYS CA C 11 59.300 60.172 -0.872 1
1 122 . 18 1 1 A 11 11 LYS CB C 11 32.600 32.468 0.132 1
1 126 . 18 1 1 A 11 11 LYS N N 11 119.600 122.827 -3.227 1
1 127 . 18 1 1 A 12 12 LEU H H 12 7.750 8.503 -0.753 1
1 128 . 18 1 1 A 12 12 LEU HA H 12 4.190 3.948 0.242 1
1 138 . 18 1 1 A 12 12 LEU C C 12 178.400 179.463 -1.063 1
1 139 . 18 1 1 A 12 12 LEU CA C 12 57.800 57.934 -0.134 1
1 140 . 18 1 1 A 12 12 LEU CB C 12 41.900 41.271 0.629 1
1 144 . 18 1 1 A 12 12 LEU N N 12 119.900 119.907 -0.007 1
1 145 . 18 1 1 A 13 13 ARG H H 13 7.600 7.888 -0.288 1
1 146 . 18 1 1 A 13 13 ARG HA H 13 3.940 3.963 -0.023 1
1 153 . 18 1 1 A 13 13 ARG C C 13 178.600 179.076 -0.476 1
1 154 . 18 1 1 A 13 13 ARG CA C 13 59.000 59.476 -0.476 1
1 155 . 18 1 1 A 13 13 ARG CB C 13 30.200 29.610 0.590 1
1 158 . 18 1 1 A 13 13 ARG N N 13 115.300 119.323 -4.023 1
1 159 . 18 1 1 A 14 14 GLN H H 14 7.770 7.914 -0.144 1
1 160 . 18 1 1 A 14 14 GLN HA H 14 4.130 4.144 -0.014 1
1 167 . 18 1 1 A 14 14 GLN C C 14 176.500 178.825 -2.325 1
1 168 . 18 1 1 A 14 14 GLN CA C 14 57.100 58.440 -1.340 1
1 169 . 18 1 1 A 14 14 GLN CB C 14 28.200 28.767 -0.567 1
1 171 . 18 1 1 A 14 14 GLN N N 14 116.400 118.971 -2.571 1
1 173 . 18 1 1 A 15 15 PHE H H 15 8.030 8.231 -0.201 1
1 174 . 18 1 1 A 15 15 PHE HA H 15 4.220 4.246 -0.026 1
1 181 . 18 1 1 A 15 15 PHE C C 15 175.200 175.800 -0.600 1
1 182 . 18 1 1 A 15 15 PHE CA C 15 59.100 61.020 -1.920 1
1 183 . 18 1 1 A 15 15 PHE CB C 15 38.800 38.744 0.056 1
1 188 . 18 1 1 A 15 15 PHE N N 15 116.800 118.951 -2.151 1
1 189 . 18 1 1 A 16 16 LYS H H 16 7.470 8.604 -1.134 1
1 190 . 18 1 1 A 16 16 LYS HA H 16 4.190 4.207 -0.017 1
1 191 . 18 1 1 A 16 16 LYS CA C 16 58.400 57.953 0.447 1
1 192 . 18 1 1 A 16 16 LYS CB C 16 33.300 32.364 0.936 1
1 193 . 18 1 1 A 16 16 LYS N N 16 122.500 119.502 2.998 1
1 194 . 18 1 1 A 17 17 GLY HA2 H 17 3.920 3.619 0.301 1
1 195 . 18 1 1 A 17 17 GLY HA3 H 17 4.210 3.825 0.385 1
1 196 . 18 1 1 A 17 17 GLY C C 17 174.300 175.023 -0.723 1
1 197 . 18 1 1 A 17 17 GLY CA C 17 46.200 45.449 0.751 1
1 198 . 18 1 1 A 18 18 LYS H H 18 8.230 7.959 0.271 1
1 199 . 18 1 1 A 18 18 LYS HA H 18 4.550 3.738 0.812 1
1 208 . 18 1 1 A 18 18 LYS C C 18 175.800 174.594 1.206 1
1 209 . 18 1 1 A 18 18 LYS CA C 18 56.100 57.387 -1.287 1
1 210 . 18 1 1 A 18 18 LYS CB C 18 33.700 29.529 4.171 1
1 214 . 18 1 1 A 18 18 LYS N N 18 118.100 116.385 1.715 1
1 215 . 18 1 1 A 19 19 VAL H H 19 7.150 7.500 -0.350 1
1 216 . 18 1 1 A 19 19 VAL HA H 19 4.400 4.725 -0.325 1
1 224 . 18 1 1 A 19 19 VAL CA C 19 58.800 58.677 0.123 1
1 225 . 18 1 1 A 19 19 VAL CB C 19 34.300 34.501 -0.201 1
1 228 . 18 1 1 A 19 19 VAL N N 19 111.100 113.686 -2.586 1
1 229 . 18 1 1 A 20 20 ASN HA H 20 4.660 4.915 -0.255 1
1 234 . 18 1 1 A 20 20 ASN C C 20 174.600 175.504 -0.904 1
1 235 . 18 1 1 A 20 20 ASN CA C 20 52.700 52.185 0.515 1
1 236 . 18 1 1 A 20 20 ASN CB C 20 37.900 38.761 -0.861 1
1 238 . 18 1 1 A 21 21 PHE H H 21 8.580 9.006 -0.426 1
1 239 . 18 1 1 A 21 21 PHE HA H 21 3.730 3.969 -0.239 1
1 247 . 18 1 1 A 21 21 PHE C C 21 175.300 177.077 -1.777 1
1 248 . 18 1 1 A 21 21 PHE CA C 21 62.500 62.177 0.323 1
1 249 . 18 1 1 A 21 21 PHE CB C 21 40.400 39.503 0.897 1
1 255 . 18 1 1 A 21 21 PHE N N 21 128.200 127.408 0.792 1
1 256 . 18 1 1 A 22 22 ASN H H 22 8.220 8.339 -0.119 1
1 257 . 18 1 1 A 22 22 ASN HA H 22 4.300 4.460 -0.160 1
1 262 . 18 1 1 A 22 22 ASN C C 22 177.800 177.874 -0.074 1
1 263 . 18 1 1 A 22 22 ASN CA C 22 56.400 56.366 0.034 1
1 264 . 18 1 1 A 22 22 ASN CB C 22 37.900 38.574 -0.674 1
1 265 . 18 1 1 A 22 22 ASN N N 22 114.600 118.282 -3.682 1
1 267 . 18 1 1 A 23 23 LEU H H 23 7.440 7.773 -0.333 1
1 268 . 18 1 1 A 23 23 LEU HA H 23 4.190 4.042 0.148 1
1 278 . 18 1 1 A 23 23 LEU C C 23 177.800 178.684 -0.884 1
1 279 . 18 1 1 A 23 23 LEU CA C 23 56.900 57.714 -0.814 1
1 280 . 18 1 1 A 23 23 LEU CB C 23 41.400 41.946 -0.546 1
1 284 . 18 1 1 A 23 23 LEU N N 23 122.500 120.883 1.617 1
1 285 . 18 1 1 A 24 24 VAL H H 24 7.930 8.359 -0.429 1
1 286 . 18 1 1 A 24 24 VAL HA H 24 3.560 3.547 0.013 1
1 294 . 18 1 1 A 24 24 VAL C C 24 177.500 177.429 0.071 1
1 295 . 18 1 1 A 24 24 VAL CA C 24 67.200 67.097 0.103 1
1 296 . 18 1 1 A 24 24 VAL CB C 24 31.000 31.311 -0.311 1
1 299 . 18 1 1 A 24 24 VAL N N 24 119.400 119.009 0.391 1
1 300 . 18 1 1 A 25 25 MET H H 25 8.020 8.267 -0.247 1
1 301 . 18 1 1 A 25 25 MET HA H 25 3.640 3.944 -0.304 1
1 309 . 18 1 1 A 25 25 MET C C 25 176.800 177.969 -1.169 1
1 310 . 18 1 1 A 25 25 MET CA C 25 60.000 58.282 1.718 1
1 311 . 18 1 1 A 25 25 MET CB C 25 32.900 31.252 1.648 1
1 314 . 18 1 1 A 25 25 MET N N 25 116.600 119.701 -3.101 1
1 315 . 18 1 1 A 26 26 GLN H H 26 7.530 7.994 -0.464 1
1 316 . 18 1 1 A 26 26 GLN HA H 26 4.050 4.057 -0.007 1
1 323 . 18 1 1 A 26 26 GLN C C 26 177.800 178.442 -0.642 1
1 324 . 18 1 1 A 26 26 GLN CA C 26 59.100 58.819 0.281 1
1 325 . 18 1 1 A 26 26 GLN CB C 26 28.100 28.177 -0.077 1
1 327 . 18 1 1 A 26 26 GLN N N 26 118.200 118.568 -0.368 1
1 329 . 18 1 1 A 27 27 ILE H H 27 8.230 8.348 -0.118 1
1 330 . 18 1 1 A 27 27 ILE HA H 27 3.350 3.495 -0.145 1
1 340 . 18 1 1 A 27 27 ILE C C 27 177.700 178.430 -0.730 1
1 341 . 18 1 1 A 27 27 ILE CA C 27 65.900 65.849 0.051 1
1 342 . 18 1 1 A 27 27 ILE CB C 27 37.900 38.183 -0.283 1
1 346 . 18 1 1 A 27 27 ILE N N 27 120.700 120.736 -0.036 1
1 347 . 18 1 1 A 28 28 LEU H H 28 8.550 8.409 0.141 1
1 348 . 18 1 1 A 28 28 LEU HA H 28 4.020 3.939 0.081 1
1 358 . 18 1 1 A 28 28 LEU C C 28 179.900 179.101 0.799 1
1 359 . 18 1 1 A 28 28 LEU CA C 28 58.400 58.191 0.209 1
1 360 . 18 1 1 A 28 28 LEU CB C 28 39.700 40.944 -1.244 1
1 364 . 18 1 1 A 28 28 LEU N N 28 118.900 118.549 0.351 1
1 365 . 18 1 1 A 29 29 ASP H H 29 8.470 8.516 -0.046 1
1 366 . 18 1 1 A 29 29 ASP HA H 29 4.440 4.249 0.191 1
1 369 . 18 1 1 A 29 29 ASP C C 29 179.600 178.484 1.116 1
1 370 . 18 1 1 A 29 29 ASP CA C 29 57.400 57.778 -0.378 1
1 371 . 18 1 1 A 29 29 ASP CB C 29 40.400 41.206 -0.806 1
1 372 . 18 1 1 A 29 29 ASP N N 29 120.700 119.459 1.241 1
1 373 . 18 1 1 A 30 30 GLU H H 30 8.630 8.677 -0.047 1
1 374 . 18 1 1 A 30 30 GLU HA H 30 3.980 4.110 -0.130 1
1 379 . 18 1 1 A 30 30 GLU C C 30 180.600 178.797 1.803 1
1 380 . 18 1 1 A 30 30 GLU CA C 30 60.000 59.200 0.800 1
1 381 . 18 1 1 A 30 30 GLU CB C 30 29.900 29.614 0.286 1
1 383 . 18 1 1 A 30 30 GLU N N 30 120.800 119.030 1.770 1
1 384 . 18 1 1 A 31 31 ILE H H 31 8.520 7.764 0.756 1
1 385 . 18 1 1 A 31 31 ILE HA H 31 3.540 3.883 -0.343 1
1 395 . 18 1 1 A 31 31 ILE C C 31 176.400 178.031 -1.631 1
1 396 . 18 1 1 A 31 31 ILE CA C 31 66.600 64.005 2.595 1
1 397 . 18 1 1 A 31 31 ILE CB C 31 37.800 37.535 0.265 1
1 401 . 18 1 1 A 31 31 ILE N N 31 123.100 119.906 3.194 1
1 402 . 18 1 1 A 32 32 GLU H H 32 8.070 8.366 -0.296 1
1 403 . 18 1 1 A 32 32 GLU HA H 32 3.730 4.003 -0.273 1
1 408 . 18 1 1 A 32 32 GLU C C 32 178.400 178.882 -0.482 1
1 409 . 18 1 1 A 32 32 GLU CA C 32 60.800 59.374 1.426 1
1 410 . 18 1 1 A 32 32 GLU CB C 32 28.800 29.472 -0.672 1
1 412 . 18 1 1 A 32 32 GLU N N 32 120.300 121.530 -1.230 1
1 413 . 18 1 1 A 33 33 LEU H H 33 8.160 8.249 -0.089 1
1 414 . 18 1 1 A 33 33 LEU HA H 33 3.980 3.959 0.021 1
1 424 . 18 1 1 A 33 33 LEU C C 33 180.100 178.273 1.827 1
1 425 . 18 1 1 A 33 33 LEU CA C 33 58.000 58.049 -0.049 1
1 426 . 18 1 1 A 33 33 LEU CB C 33 42.100 41.281 0.819 1
1 430 . 18 1 1 A 33 33 LEU N N 33 117.900 119.838 -1.938 1
1 431 . 18 1 1 A 34 34 ASP H H 34 8.200 7.976 0.224 1
1 432 . 18 1 1 A 34 34 ASP HA H 34 4.290 4.394 -0.104 1
1 435 . 18 1 1 A 34 34 ASP C C 34 178.600 178.262 0.338 1
1 436 . 18 1 1 A 34 34 ASP CA C 34 58.200 57.626 0.574 1
1 437 . 18 1 1 A 34 34 ASP CB C 34 42.800 41.105 1.695 1
1 438 . 18 1 1 A 34 34 ASP N N 34 120.500 119.749 0.751 1
1 439 . 18 1 1 A 35 35 LEU H H 35 8.630 8.652 -0.022 1
1 440 . 18 1 1 A 35 35 LEU HA H 35 4.360 4.040 0.320 1
1 450 . 18 1 1 A 35 35 LEU C C 35 179.000 178.608 0.392 1
1 451 . 18 1 1 A 35 35 LEU CA C 35 56.400 57.551 -1.151 1
1 452 . 18 1 1 A 35 35 LEU CB C 35 42.800 41.580 1.220 1
1 456 . 18 1 1 A 35 35 LEU N N 35 121.300 120.538 0.762 1
1 457 . 18 1 1 A 36 36 ARG H H 36 7.410 8.007 -0.597 1
1 458 . 18 1 1 A 36 36 ARG HA H 36 4.050 4.012 0.038 1
1 465 . 18 1 1 A 36 36 ARG C C 36 177.800 177.902 -0.102 1
1 466 . 18 1 1 A 36 36 ARG CA C 36 59.000 59.901 -0.901 1
1 467 . 18 1 1 A 36 36 ARG CB C 36 30.000 29.744 0.256 1
1 470 . 18 1 1 A 36 36 ARG N N 36 117.000 119.640 -2.640 1
1 471 . 18 1 1 A 37 37 GLY H H 37 7.580 7.796 -0.216 1
1 472 . 18 1 1 A 37 37 GLY HA2 H 37 3.830 4.146 -0.316 1
1 473 . 18 1 1 A 37 37 GLY HA3 H 37 4.280 4.151 0.129 1
1 474 . 18 1 1 A 37 37 GLY C C 37 174.800 174.813 -0.013 1
1 475 . 18 1 1 A 37 37 GLY CA C 37 45.200 45.679 -0.479 1
1 476 . 18 1 1 A 37 37 GLY N N 37 103.600 106.352 -2.752 1
1 477 . 18 1 1 A 38 38 SER H H 38 8.380 7.944 0.436 1
1 478 . 18 1 1 A 38 38 SER HA H 38 4.330 4.708 -0.378 1
1 481 . 18 1 1 A 38 38 SER C C 38 175.100 174.165 0.935 1
1 482 . 18 1 1 A 38 38 SER CA C 38 58.700 58.997 -0.297 1
1 483 . 18 1 1 A 38 38 SER CB C 38 63.800 64.936 -1.136 1
1 484 . 18 1 1 A 38 38 SER N N 38 117.800 114.868 2.932 1
1 485 . 18 1 1 A 39 39 ASP H H 39 8.520 8.464 0.056 1
1 486 . 18 1 1 A 39 39 ASP HA H 39 4.470 4.595 -0.125 1
1 489 . 18 1 1 A 39 39 ASP C C 39 175.300 175.348 -0.048 1
1 490 . 18 1 1 A 39 39 ASP CA C 39 55.400 56.154 -0.754 1
1 491 . 18 1 1 A 39 39 ASP CB C 39 41.500 40.581 0.919 1
1 492 . 18 1 1 A 39 39 ASP N N 39 120.500 120.661 -0.161 1
1 493 . 18 1 1 A 40 40 ASN H H 40 8.230 8.521 -0.291 1
1 494 . 18 1 1 A 40 40 ASN HA H 40 4.800 4.965 -0.165 1
1 499 . 18 1 1 A 40 40 ASN C C 40 174.600 175.173 -0.573 1
1 500 . 18 1 1 A 40 40 ASN CA C 40 52.900 52.091 0.809 1
1 501 . 18 1 1 A 40 40 ASN CB C 40 39.500 36.553 2.947 1
1 502 . 18 1 1 A 40 40 ASN N N 40 116.100 116.638 -0.538 1
1 504 . 18 1 1 A 41 41 ILE H H 41 8.340 7.863 0.477 1
1 505 . 18 1 1 A 41 41 ILE HA H 41 3.840 3.797 0.043 1
1 515 . 18 1 1 A 41 41 ILE C C 41 175.000 177.540 -2.540 1
1 516 . 18 1 1 A 41 41 ILE CA C 41 62.500 62.825 -0.325 1
1 517 . 18 1 1 A 41 41 ILE CB C 41 37.600 37.861 -0.261 1
1 521 . 18 1 1 A 41 41 ILE N N 41 124.800 125.531 -0.731 1
1 522 . 18 1 1 A 42 42 LYS H H 42 7.790 8.042 -0.252 1
1 523 . 18 1 1 A 42 42 LYS HA H 42 3.780 3.897 -0.117 1
1 532 . 18 1 1 A 42 42 LYS C C 42 178.300 179.218 -0.918 1
1 533 . 18 1 1 A 42 42 LYS CA C 42 60.200 59.117 1.083 1
1 534 . 18 1 1 A 42 42 LYS CB C 42 31.800 32.270 -0.470 1
1 538 . 18 1 1 A 42 42 LYS N N 42 122.100 121.849 0.251 1
1 539 . 18 1 1 A 43 43 THR H H 43 7.500 7.669 -0.169 1
1 540 . 18 1 1 A 43 43 THR HA H 43 3.790 3.626 0.164 1
1 545 . 18 1 1 A 43 43 THR C C 43 177.100 175.956 1.144 1
1 546 . 18 1 1 A 43 43 THR CA C 43 65.900 66.311 -0.411 1
1 547 . 18 1 1 A 43 43 THR CB C 43 68.400 68.263 0.137 1
1 549 . 18 1 1 A 43 43 THR N N 43 112.900 117.824 -4.924 1
1 550 . 18 1 1 A 44 44 SER H H 44 7.860 7.580 0.280 1
1 551 . 18 1 1 A 44 44 SER HA H 44 4.570 4.215 0.355 1
1 554 . 18 1 1 A 44 44 SER C C 44 175.100 175.917 -0.817 1
1 555 . 18 1 1 A 44 44 SER CA C 44 63.600 62.324 1.276 1
1 556 . 18 1 1 A 44 44 SER CB C 44 63.900 62.851 1.049 1
1 557 . 18 1 1 A 44 44 SER N N 44 119.700 117.139 2.561 1
1 558 . 18 1 1 A 45 45 ILE H H 45 8.240 8.083 0.157 1
1 559 . 18 1 1 A 45 45 ILE HA H 45 3.140 3.443 -0.303 1
1 569 . 18 1 1 A 45 45 ILE C C 45 176.500 177.898 -1.398 1
1 570 . 18 1 1 A 45 45 ILE CA C 45 66.200 64.839 1.361 1
1 571 . 18 1 1 A 45 45 ILE CB C 45 37.800 37.507 0.293 1
1 575 . 18 1 1 A 45 45 ILE N N 45 121.300 120.676 0.624 1
1 576 . 18 1 1 A 46 46 ILE H H 46 7.680 7.632 0.048 1
1 577 . 18 1 1 A 46 46 ILE HA H 46 3.480 3.499 -0.019 1
1 587 . 18 1 1 A 46 46 ILE C C 46 178.900 177.805 1.095 1
1 588 . 18 1 1 A 46 46 ILE CA C 46 65.300 65.148 0.152 1
1 589 . 18 1 1 A 46 46 ILE CB C 46 37.800 37.849 -0.049 1
1 593 . 18 1 1 A 46 46 ILE N N 46 117.100 119.656 -2.556 1
1 594 . 18 1 1 A 47 47 TYR H H 47 8.400 7.580 0.820 1
1 595 . 18 1 1 A 47 47 TYR HA H 47 4.190 4.398 -0.208 1
1 602 . 18 1 1 A 47 47 TYR C C 47 178.700 178.480 0.220 1
1 603 . 18 1 1 A 47 47 TYR CA C 47 61.300 61.023 0.277 1
1 604 . 18 1 1 A 47 47 TYR CB C 47 38.400 38.521 -0.121 1
1 609 . 18 1 1 A 47 47 TYR N N 47 120.900 120.112 0.788 1
1 610 . 18 1 1 A 48 48 VAL H H 48 8.480 8.027 0.453 1
1 611 . 18 1 1 A 48 48 VAL HA H 48 3.560 3.897 -0.337 1
1 619 . 18 1 1 A 48 48 VAL C C 48 179.600 177.892 1.708 1
1 620 . 18 1 1 A 48 48 VAL CA C 48 67.000 66.400 0.600 1
1 621 . 18 1 1 A 48 48 VAL CB C 48 31.700 31.789 -0.089 1
1 624 . 18 1 1 A 48 48 VAL N N 48 121.600 119.757 1.843 1
1 625 . 18 1 1 A 49 49 TYR H H 49 9.630 8.524 1.106 1
1 626 . 18 1 1 A 49 49 TYR HA H 49 4.080 4.170 -0.090 1
1 633 . 18 1 1 A 49 49 TYR C C 49 179.300 178.195 1.105 1
1 634 . 18 1 1 A 49 49 TYR CA C 49 59.900 60.525 -0.625 1
1 635 . 18 1 1 A 49 49 TYR CB C 49 35.300 37.672 -2.372 1
1 640 . 18 1 1 A 49 49 TYR N N 49 122.000 119.450 2.550 1
1 641 . 18 1 1 A 50 50 SER H H 50 8.120 8.239 -0.119 1
1 642 . 18 1 1 A 50 50 SER HA H 50 4.130 4.162 -0.032 1
1 645 . 18 1 1 A 50 50 SER C C 50 175.700 176.963 -1.263 1
1 646 . 18 1 1 A 50 50 SER CA C 50 62.000 61.156 0.844 1
1 647 . 18 1 1 A 50 50 SER CB C 50 62.900 63.180 -0.280 1
1 648 . 18 1 1 A 50 50 SER N N 50 112.600 115.856 -3.256 1
1 649 . 18 1 1 A 51 51 SER H H 51 7.510 7.793 -0.283 1
1 650 . 18 1 1 A 51 51 SER HA H 51 4.350 4.250 0.100 1
1 653 . 18 1 1 A 51 51 SER C C 51 173.600 175.984 -2.384 1
1 654 . 18 1 1 A 51 51 SER CA C 51 59.500 61.425 -1.925 1
1 655 . 18 1 1 A 51 51 SER CB C 51 63.300 62.866 0.434 1
1 656 . 18 1 1 A 51 51 SER N N 51 116.800 115.403 1.397 1
1 657 . 18 1 1 A 52 52 HIS H H 52 7.590 8.183 -0.593 1
1 658 . 18 1 1 A 52 52 HIS HA H 52 4.890 4.844 0.046 1
1 663 . 18 1 1 A 52 52 HIS C C 52 175.200 175.510 -0.310 1
1 664 . 18 1 1 A 52 52 HIS CA C 52 54.100 54.879 -0.779 1
1 665 . 18 1 1 A 52 52 HIS CB C 52 29.500 29.125 0.375 1
1 668 . 18 1 1 A 52 52 HIS N N 52 120.500 116.117 4.383 1
1 669 . 18 1 1 A 53 53 LEU H H 53 7.440 7.768 -0.328 1
1 670 . 18 1 1 A 53 53 LEU HA H 53 3.870 3.774 0.096 1
1 680 . 18 1 1 A 53 53 LEU C C 53 177.900 178.349 -0.449 1
1 681 . 18 1 1 A 53 53 LEU CA C 53 59.100 57.892 1.208 1
1 682 . 18 1 1 A 53 53 LEU CB C 53 42.300 41.275 1.025 1
1 686 . 18 1 1 A 53 53 LEU N N 53 121.400 121.007 0.393 1
1 687 . 18 1 1 A 54 54 ASP H H 54 8.400 8.134 0.266 1
1 688 . 18 1 1 A 54 54 ASP HA H 54 4.290 4.232 0.058 1
1 691 . 18 1 1 A 54 54 ASP C C 54 177.900 179.017 -1.117 1
1 692 . 18 1 1 A 54 54 ASP CA C 54 57.600 57.616 -0.016 1
1 693 . 18 1 1 A 54 54 ASP CB C 54 40.200 42.092 -1.892 1
1 694 . 18 1 1 A 54 54 ASP N N 54 115.900 119.732 -3.832 1
1 695 . 18 1 1 A 55 55 GLU H H 55 7.500 7.698 -0.198 1
1 696 . 18 1 1 A 55 55 GLU HA H 55 4.310 4.120 0.190 1
1 701 . 18 1 1 A 55 55 GLU C C 55 178.300 179.224 -0.924 1
1 702 . 18 1 1 A 55 55 GLU CA C 55 57.800 58.691 -0.891 1
1 703 . 18 1 1 A 55 55 GLU CB C 55 29.100 29.050 0.050 1
1 705 . 18 1 1 A 55 55 GLU N N 55 120.100 118.990 1.110 1
1 706 . 18 1 1 A 56 56 ILE H H 56 7.720 7.441 0.279 1
1 707 . 18 1 1 A 56 56 ILE HA H 56 3.440 3.143 0.297 1
1 717 . 18 1 1 A 56 56 ILE C C 56 178.600 178.351 0.249 1
1 718 . 18 1 1 A 56 56 ILE CA C 56 62.500 64.819 -2.319 1
1 719 . 18 1 1 A 56 56 ILE CB C 56 36.200 37.432 -1.232 1
1 723 . 18 1 1 A 56 56 ILE N N 56 119.600 120.610 -1.010 1
1 724 . 18 1 1 A 57 57 ARG H H 57 8.200 8.571 -0.371 1
1 725 . 18 1 1 A 57 57 ARG HA H 57 3.930 4.065 -0.135 1
1 732 . 18 1 1 A 57 57 ARG C C 57 178.800 178.551 0.249 1
1 733 . 18 1 1 A 57 57 ARG CA C 57 59.000 58.797 0.203 1
1 734 . 18 1 1 A 57 57 ARG CB C 57 30.100 29.714 0.386 1
1 737 . 18 1 1 A 57 57 ARG N N 57 115.500 120.864 -5.364 1
1 738 . 18 1 1 A 58 58 LYS H H 58 7.400 7.956 -0.556 1
1 739 . 18 1 1 A 58 58 LYS HA H 58 4.210 4.134 0.076 1
1 748 . 18 1 1 A 58 58 LYS C C 58 176.800 177.244 -0.444 1
1 749 . 18 1 1 A 58 58 LYS CA C 58 58.100 59.182 -1.082 1
1 750 . 18 1 1 A 58 58 LYS CB C 58 33.100 32.603 0.497 1
1 754 . 18 1 1 A 58 58 LYS N N 58 117.400 118.814 -1.414 1
1 755 . 18 1 1 A 59 59 ASN H H 59 7.630 7.932 -0.302 1
1 756 . 18 1 1 A 59 59 ASN HA H 59 5.310 5.179 0.131 1
1 761 . 18 1 1 A 59 59 ASN C C 59 174.900 174.960 -0.060 1
1 762 . 18 1 1 A 59 59 ASN CA C 59 52.100 52.326 -0.226 1
1 763 . 18 1 1 A 59 59 ASN CB C 59 40.200 38.931 1.269 1
1 764 . 18 1 1 A 59 59 ASN N N 59 119.200 115.775 3.425 1
1 766 . 18 1 1 A 60 60 LYS H H 60 7.460 8.282 -0.822 1
1 767 . 18 1 1 A 60 60 LYS HA H 60 4.070 4.415 -0.345 1
1 776 . 18 1 1 A 60 60 LYS C C 60 177.900 178.714 -0.814 1
1 777 . 18 1 1 A 60 60 LYS CA C 60 61.100 59.218 1.882 1
1 778 . 18 1 1 A 60 60 LYS CB C 60 33.300 32.105 1.195 1
1 782 . 18 1 1 A 60 60 LYS N N 60 122.700 119.399 3.301 1
1 783 . 18 1 1 A 61 61 GLU H H 61 8.660 7.982 0.678 1
1 784 . 18 1 1 A 61 61 GLU HA H 61 4.080 4.068 0.012 1
1 789 . 18 1 1 A 61 61 GLU C C 61 178.900 179.078 -0.178 1
1 790 . 18 1 1 A 61 61 GLU CA C 61 60.100 59.073 1.027 1
1 791 . 18 1 1 A 61 61 GLU CB C 61 29.100 29.727 -0.627 1
1 793 . 18 1 1 A 61 61 GLU N N 61 117.300 119.794 -2.494 1
1 794 . 18 1 1 A 62 62 PHE H H 62 7.670 8.134 -0.464 1
1 795 . 18 1 1 A 62 62 PHE HA H 62 3.420 3.977 -0.557 1
1 803 . 18 1 1 A 62 62 PHE C C 62 176.200 177.021 -0.821 1
1 804 . 18 1 1 A 62 62 PHE CA C 62 60.900 61.078 -0.178 1
1 805 . 18 1 1 A 62 62 PHE CB C 62 38.300 38.914 -0.614 1
1 811 . 18 1 1 A 62 62 PHE N N 62 119.300 120.895 -1.595 1
1 812 . 18 1 1 A 63 63 TYR H H 63 7.850 8.430 -0.580 1
1 813 . 18 1 1 A 63 63 TYR HA H 63 3.870 4.172 -0.302 1
1 820 . 18 1 1 A 63 63 TYR C C 63 180.200 177.461 2.739 1
1 821 . 18 1 1 A 63 63 TYR CA C 63 63.500 61.918 1.582 1
1 822 . 18 1 1 A 63 63 TYR CB C 63 37.100 37.320 -0.220 1
1 827 . 18 1 1 A 63 63 TYR N N 63 116.500 117.732 -1.232 1
1 828 . 18 1 1 A 64 64 ASP H H 64 9.110 8.269 0.841 1
1 829 . 18 1 1 A 64 64 ASP HA H 64 4.650 4.412 0.238 1
1 832 . 18 1 1 A 64 64 ASP C C 64 178.700 178.429 0.271 1
1 833 . 18 1 1 A 64 64 ASP CA C 64 57.600 57.570 0.030 1
1 834 . 18 1 1 A 64 64 ASP CB C 64 39.800 41.252 -1.452 1
1 835 . 18 1 1 A 64 64 ASP N N 64 126.100 120.953 5.147 1
1 836 . 18 1 1 A 65 65 MET H H 65 7.600 8.138 -0.538 1
1 837 . 18 1 1 A 65 65 MET HA H 65 4.140 4.146 -0.006 1
1 845 . 18 1 1 A 65 65 MET C C 65 178.800 178.047 0.753 1
1 846 . 18 1 1 A 65 65 MET CA C 65 59.300 58.393 0.907 1
1 847 . 18 1 1 A 65 65 MET CB C 65 32.800 32.863 -0.063 1
1 850 . 18 1 1 A 65 65 MET N N 65 121.100 117.636 3.464 1
1 851 . 18 1 1 A 66 66 ILE H H 66 7.910 7.961 -0.051 1
1 852 . 18 1 1 A 66 66 ILE HA H 66 3.430 3.713 -0.283 1
1 862 . 18 1 1 A 66 66 ILE C C 66 177.000 177.844 -0.844 1
1 863 . 18 1 1 A 66 66 ILE CA C 66 64.500 64.061 0.439 1
1 864 . 18 1 1 A 66 66 ILE CB C 66 36.700 37.259 -0.559 1
1 868 . 18 1 1 A 66 66 ILE N N 66 116.900 116.173 0.727 1
1 869 . 18 1 1 A 67 67 ALA H H 67 7.660 8.479 -0.819 1
1 870 . 18 1 1 A 67 67 ALA HA H 67 3.940 3.941 -0.001 1
1 874 . 18 1 1 A 67 67 ALA C C 67 180.200 179.213 0.987 1
1 875 . 18 1 1 A 67 67 ALA CA C 67 55.600 55.719 -0.119 1
1 876 . 18 1 1 A 67 67 ALA CB C 67 18.000 18.324 -0.324 1
1 877 . 18 1 1 A 67 67 ALA N N 67 120.700 122.800 -2.100 1
1 878 . 18 1 1 A 68 68 GLU H H 68 7.660 7.807 -0.147 1
1 879 . 18 1 1 A 68 68 GLU HA H 68 4.040 4.059 -0.019 1
1 884 . 18 1 1 A 68 68 GLU C C 68 179.000 179.132 -0.132 1
1 885 . 18 1 1 A 68 68 GLU CA C 68 59.300 59.339 -0.039 1
1 886 . 18 1 1 A 68 68 GLU CB C 68 29.500 29.504 -0.004 1
1 888 . 18 1 1 A 68 68 GLU N N 68 118.700 118.627 0.073 1
1 889 . 18 1 1 A 69 69 ILE H H 69 8.240 7.963 0.277 1
1 890 . 18 1 1 A 69 69 ILE HA H 69 3.630 3.812 -0.182 1
1 900 . 18 1 1 A 69 69 ILE C C 69 178.200 178.557 -0.357 1
1 901 . 18 1 1 A 69 69 ILE CA C 69 65.700 65.513 0.187 1
1 902 . 18 1 1 A 69 69 ILE CB C 69 38.100 37.607 0.493 1
1 906 . 18 1 1 A 69 69 ILE N N 69 120.700 119.616 1.084 1
1 907 . 18 1 1 A 70 70 LEU H H 70 8.770 8.931 -0.161 1
1 908 . 18 1 1 A 70 70 LEU HA H 70 3.960 3.947 0.013 1
1 918 . 18 1 1 A 70 70 LEU C C 70 179.300 179.515 -0.215 1
1 919 . 18 1 1 A 70 70 LEU CA C 70 59.100 58.392 0.708 1
1 920 . 18 1 1 A 70 70 LEU CB C 70 43.000 41.643 1.357 1
1 924 . 18 1 1 A 70 70 LEU N N 70 119.100 120.287 -1.187 1
1 925 . 18 1 1 A 71 71 GLN H H 71 7.660 7.990 -0.330 1
1 926 . 18 1 1 A 71 71 GLN HA H 71 3.960 4.223 -0.263 1
1 933 . 18 1 1 A 71 71 GLN C C 71 177.700 178.875 -1.175 1
1 934 . 18 1 1 A 71 71 GLN CA C 71 59.800 59.397 0.403 1
1 935 . 18 1 1 A 71 71 GLN CB C 71 30.000 28.577 1.423 1
1 937 . 18 1 1 A 71 71 GLN N N 71 114.200 117.965 -3.765 1
1 939 . 18 1 1 A 72 72 ARG H H 72 8.180 8.006 0.174 1
1 940 . 18 1 1 A 72 72 ARG HA H 72 4.000 3.975 0.025 1
1 947 . 18 1 1 A 72 72 ARG C C 72 178.900 178.168 0.732 1
1 948 . 18 1 1 A 72 72 ARG CA C 72 58.900 59.008 -0.108 1
1 949 . 18 1 1 A 72 72 ARG CB C 72 31.100 29.775 1.325 1
1 952 . 18 1 1 A 72 72 ARG N N 72 118.300 120.093 -1.793 1
1 953 . 18 1 1 A 73 73 TYR H H 73 7.970 8.225 -0.255 1
1 954 . 18 1 1 A 73 73 TYR HA H 73 4.800 4.334 0.466 1
1 961 . 18 1 1 A 73 73 TYR C C 73 178.000 178.109 -0.109 1
1 962 . 18 1 1 A 73 73 TYR CA C 73 60.100 59.827 0.273 1
1 963 . 18 1 1 A 73 73 TYR CB C 73 41.200 39.094 2.106 1
1 968 . 18 1 1 A 73 73 TYR N N 73 111.500 117.881 -6.381 1
1 969 . 18 1 1 A 74 74 TYR H H 74 8.750 8.706 0.044 1
1 970 . 18 1 1 A 74 74 TYR HA H 74 4.080 4.404 -0.324 1
1 977 . 18 1 1 A 74 74 TYR C C 74 176.600 178.310 -1.710 1
1 978 . 18 1 1 A 74 74 TYR CA C 74 62.400 60.262 2.138 1
1 979 . 18 1 1 A 74 74 TYR CB C 74 36.100 37.456 -1.356 1
1 984 . 18 1 1 A 74 74 TYR N N 74 121.500 120.472 1.028 1
1 985 . 18 1 1 A 75 75 LYS H H 75 7.760 7.219 0.541 1
1 986 . 18 1 1 A 75 75 LYS HA H 75 3.710 3.645 0.065 1
1 995 . 18 1 1 A 75 75 LYS C C 75 177.500 178.859 -1.359 1
1 996 . 18 1 1 A 75 75 LYS CA C 75 57.600 58.510 -0.910 1
1 997 . 18 1 1 A 75 75 LYS CB C 75 31.800 31.997 -0.197 1
1 1001 . 18 1 1 A 75 75 LYS N N 75 120.300 122.454 -2.154 1
1 1002 . 18 1 1 A 76 76 LYS H H 76 7.510 7.099 0.411 1
1 1003 . 18 1 1 A 76 76 LYS HA H 76 4.230 3.887 0.343 1
1 1012 . 18 1 1 A 76 76 LYS C C 76 177.900 177.828 0.072 1
1 1013 . 18 1 1 A 76 76 LYS CA C 76 58.300 59.136 -0.836 1
1 1014 . 18 1 1 A 76 76 LYS CB C 76 33.700 32.729 0.971 1
1 1018 . 18 1 1 A 76 76 LYS N N 76 118.000 119.774 -1.774 1
1 1019 . 18 1 1 A 77 77 ILE H H 77 7.610 8.175 -0.565 1
1 1020 . 18 1 1 A 77 77 ILE HA H 77 4.670 4.454 0.216 1
1 1030 . 18 1 1 A 77 77 ILE C C 77 176.000 175.802 0.198 1
1 1031 . 18 1 1 A 77 77 ILE CA C 77 60.600 61.150 -0.550 1
1 1032 . 18 1 1 A 77 77 ILE CB C 77 39.700 40.290 -0.590 1
1 1036 . 18 1 1 A 77 77 ILE N N 77 108.200 111.822 -3.622 1
1 1037 . 18 1 1 A 78 78 GLY H H 78 7.390 7.468 -0.078 1
1 1038 . 18 1 1 A 78 78 GLY HA2 H 78 4.730 4.102 0.628 1
1 1039 . 18 1 1 A 78 78 GLY HA3 H 78 3.970 4.120 -0.150 1
1 1040 . 18 1 1 A 78 78 GLY C C 78 175.800 174.879 0.921 1
1 1041 . 18 1 1 A 78 78 GLY CA C 78 44.900 44.706 0.194 1
1 1042 . 18 1 1 A 78 78 GLY N N 78 112.200 109.837 2.363 1
1 1043 . 18 1 1 A 79 79 ILE H H 79 9.030 8.835 0.195 1
1 1044 . 18 1 1 A 79 79 ILE HA H 79 4.080 3.994 0.086 1
1 1054 . 18 1 1 A 79 79 ILE C C 79 174.700 177.864 -3.164 1
1 1055 . 18 1 1 A 79 79 ILE CA C 79 62.900 63.278 -0.378 1
1 1056 . 18 1 1 A 79 79 ILE CB C 79 38.600 37.907 0.693 1
1 1060 . 18 1 1 A 79 79 ILE N N 79 125.700 122.029 3.671 1
1 1061 . 18 1 1 A 80 80 GLU H H 80 9.480 8.284 1.196 1
1 1062 . 18 1 1 A 80 80 GLU HA H 80 4.070 3.997 0.073 1
1 1067 . 18 1 1 A 80 80 GLU C C 80 179.200 179.752 -0.552 1
1 1068 . 18 1 1 A 80 80 GLU CA C 80 59.700 59.870 -0.170 1
1 1069 . 18 1 1 A 80 80 GLU CB C 80 28.100 29.334 -1.234 1
1 1071 . 18 1 1 A 80 80 GLU N N 80 122.400 121.758 0.642 1
1 1072 . 18 1 1 A 81 81 ASN H H 81 7.570 8.109 -0.539 1
1 1073 . 18 1 1 A 81 81 ASN HA H 81 4.580 4.541 0.039 1
1 1078 . 18 1 1 A 81 81 ASN C C 81 177.600 177.982 -0.382 1
1 1079 . 18 1 1 A 81 81 ASN CA C 81 55.600 56.314 -0.714 1
1 1080 . 18 1 1 A 81 81 ASN CB C 81 37.900 38.727 -0.827 1
1 1081 . 18 1 1 A 81 81 ASN N N 81 117.000 117.821 -0.821 1
1 1083 . 18 1 1 A 82 82 VAL H H 82 8.180 8.023 0.157 1
1 1084 . 18 1 1 A 82 82 VAL HA H 82 3.590 3.502 0.088 1
1 1092 . 18 1 1 A 82 82 VAL C C 82 176.900 177.795 -0.895 1
1 1093 . 18 1 1 A 82 82 VAL CA C 82 66.800 66.739 0.061 1
1 1094 . 18 1 1 A 82 82 VAL CB C 82 31.100 31.443 -0.343 1
1 1097 . 18 1 1 A 82 82 VAL N N 82 120.900 120.157 0.743 1
1 1098 . 18 1 1 A 83 83 ASN H H 83 8.440 8.678 -0.238 1
1 1099 . 18 1 1 A 83 83 ASN HA H 83 4.440 4.390 0.050 1
1 1104 . 18 1 1 A 83 83 ASN C C 83 177.700 178.120 -0.420 1
1 1105 . 18 1 1 A 83 83 ASN CA C 83 56.000 56.730 -0.730 1
1 1106 . 18 1 1 A 83 83 ASN CB C 83 37.000 39.802 -2.802 1
1 1107 . 18 1 1 A 83 83 ASN N N 83 120.500 118.765 1.735 1
1 1109 . 18 1 1 A 84 84 GLN H H 84 7.550 7.463 0.087 1
1 1110 . 18 1 1 A 84 84 GLN HA H 84 4.050 4.120 -0.070 1
1 1117 . 18 1 1 A 84 84 GLN C C 84 179.000 178.653 0.347 1
1 1118 . 18 1 1 A 84 84 GLN CA C 84 58.900 58.668 0.232 1
1 1119 . 18 1 1 A 84 84 GLN CB C 84 28.300 28.266 0.034 1
1 1121 . 18 1 1 A 84 84 GLN N N 84 116.900 119.462 -2.562 1
1 1123 . 18 1 1 A 85 85 LEU H H 85 7.990 8.046 -0.056 1
1 1124 . 18 1 1 A 85 85 LEU HA H 85 4.080 4.155 -0.075 1
1 1134 . 18 1 1 A 85 85 LEU C C 85 180.400 179.382 1.018 1
1 1135 . 18 1 1 A 85 85 LEU CA C 85 58.200 58.049 0.151 1
1 1136 . 18 1 1 A 85 85 LEU CB C 85 41.700 41.555 0.145 1
1 1140 . 18 1 1 A 85 85 LEU N N 85 121.300 119.183 2.117 1
1 1141 . 18 1 1 A 86 86 ILE H H 86 8.630 8.543 0.087 1
1 1142 . 18 1 1 A 86 86 ILE HA H 86 3.560 3.692 -0.132 1
1 1152 . 18 1 1 A 86 86 ILE C C 86 177.700 178.704 -1.004 1
1 1153 . 18 1 1 A 86 86 ILE CA C 86 66.600 64.877 1.723 1
1 1154 . 18 1 1 A 86 86 ILE CB C 86 37.800 37.164 0.636 1
1 1158 . 18 1 1 A 86 86 ILE N N 86 122.000 120.391 1.609 1
1 1159 . 18 1 1 A 87 87 LEU H H 87 8.200 8.002 0.198 1
1 1160 . 18 1 1 A 87 87 LEU HA H 87 4.010 4.121 -0.111 1
1 1170 . 18 1 1 A 87 87 LEU C C 87 179.000 179.272 -0.272 1
1 1171 . 18 1 1 A 87 87 LEU CA C 87 58.200 58.083 0.117 1
1 1172 . 18 1 1 A 87 87 LEU CB C 87 40.800 42.024 -1.224 1
1 1176 . 18 1 1 A 87 87 LEU N N 87 118.300 119.585 -1.285 1
1 1177 . 18 1 1 A 88 88 THR H H 88 8.420 8.431 -0.011 1
1 1178 . 18 1 1 A 88 88 THR HA H 88 4.000 4.035 -0.035 1
1 1183 . 18 1 1 A 88 88 THR C C 88 176.300 177.161 -0.861 1
1 1184 . 18 1 1 A 88 88 THR CA C 88 66.500 66.170 0.330 1
1 1185 . 18 1 1 A 88 88 THR CB C 88 69.400 68.239 1.161 1
1 1187 . 18 1 1 A 88 88 THR N N 88 112.700 115.764 -3.064 1
1 1188 . 18 1 1 A 89 89 THR H H 89 7.690 7.950 -0.260 1
1 1189 . 18 1 1 A 89 89 THR HA H 89 4.040 3.862 0.178 1
1 1194 . 18 1 1 A 89 89 THR C C 89 175.500 176.574 -1.074 1
1 1195 . 18 1 1 A 89 89 THR CA C 89 67.100 66.918 0.182 1
1 1196 . 18 1 1 A 89 89 THR CB C 89 68.500 68.172 0.328 1
1 1198 . 18 1 1 A 89 89 THR N N 89 116.600 117.647 -1.047 1
1 1199 . 18 1 1 A 90 90 ILE H H 90 8.330 7.341 0.989 1
1 1200 . 18 1 1 A 90 90 ILE HA H 90 4.420 4.361 0.059 1
1 1210 . 18 1 1 A 90 90 ILE C C 90 175.700 176.186 -0.486 1
1 1211 . 18 1 1 A 90 90 ILE CA C 90 62.000 62.212 -0.212 1
1 1212 . 18 1 1 A 90 90 ILE CB C 90 38.500 38.128 0.372 1
1 1216 . 18 1 1 A 90 90 ILE N N 90 125.300 112.196 13.104 1
1 1217 . 18 1 1 A 91 91 LYS H H 91 7.450 7.222 0.228 1
1 1218 . 18 1 1 A 91 91 LYS HA H 91 3.970 4.409 -0.439 1
1 1227 . 18 1 1 A 91 91 LYS CA C 91 57.200 55.791 1.409 1
1 1228 . 18 1 1 A 91 91 LYS CB C 91 32.900 32.956 -0.056 1
1 1 . 19 1 1 A 3 3 ILE H H 3 8.310 7.975 0.335 1
1 2 . 19 1 1 A 3 3 ILE HA H 3 3.740 3.982 -0.242 1
1 12 . 19 1 1 A 3 3 ILE C C 3 175.200 175.683 -0.483 1
1 13 . 19 1 1 A 3 3 ILE CA C 3 64.200 60.616 3.584 1
1 14 . 19 1 1 A 3 3 ILE CB C 3 37.400 36.616 0.784 1
1 18 . 19 1 1 A 3 3 ILE N N 3 124.900 123.802 1.098 1
1 19 . 19 1 1 A 4 4 LEU H H 4 7.270 7.955 -0.685 1
1 20 . 19 1 1 A 4 4 LEU HA H 4 3.680 4.452 -0.772 1
1 30 . 19 1 1 A 4 4 LEU C C 4 177.300 177.736 -0.436 1
1 31 . 19 1 1 A 4 4 LEU CA C 4 56.300 54.496 1.804 1
1 32 . 19 1 1 A 4 4 LEU CB C 4 41.100 41.330 -0.230 1
1 36 . 19 1 1 A 4 4 LEU N N 4 116.100 127.855 -11.755 1
1 37 . 19 1 1 A 5 5 GLU H H 5 7.350 7.890 -0.540 1
1 38 . 19 1 1 A 5 5 GLU HA H 5 4.290 4.264 0.026 1
1 43 . 19 1 1 A 5 5 GLU C C 5 176.300 176.979 -0.679 1
1 44 . 19 1 1 A 5 5 GLU CA C 5 55.200 59.492 -4.292 1
1 45 . 19 1 1 A 5 5 GLU CB C 5 30.000 29.745 0.255 1
1 47 . 19 1 1 A 5 5 GLU N N 5 114.200 118.197 -3.997 1
1 48 . 19 1 1 A 6 6 ASP H H 6 7.860 8.007 -0.147 1
1 49 . 19 1 1 A 6 6 ASP HA H 6 4.830 4.945 -0.115 1
1 52 . 19 1 1 A 6 6 ASP C C 6 175.500 175.932 -0.432 1
1 53 . 19 1 1 A 6 6 ASP CA C 6 53.000 51.901 1.099 1
1 54 . 19 1 1 A 6 6 ASP CB C 6 40.800 43.239 -2.439 1
1 55 . 19 1 1 A 6 6 ASP N N 6 125.000 119.816 5.184 1
1 56 . 19 1 1 A 7 7 PRO HA H 7 4.240 4.481 -0.241 1
1 63 . 19 1 1 A 7 7 PRO C C 7 179.000 178.268 0.732 1
1 64 . 19 1 1 A 7 7 PRO CA C 7 65.700 64.808 0.892 1
1 65 . 19 1 1 A 7 7 PRO CB C 7 32.300 32.196 0.104 1
1 68 . 19 1 1 A 8 8 GLU H H 8 9.250 8.713 0.537 1
1 69 . 19 1 1 A 8 8 GLU HA H 8 4.120 4.118 0.002 1
1 74 . 19 1 1 A 8 8 GLU C C 8 178.100 178.979 -0.879 1
1 75 . 19 1 1 A 8 8 GLU CA C 8 60.000 59.171 0.829 1
1 76 . 19 1 1 A 8 8 GLU CB C 8 29.200 29.310 -0.110 1
1 78 . 19 1 1 A 8 8 GLU N N 8 117.600 118.397 -0.797 1
1 79 . 19 1 1 A 9 9 PHE H H 9 7.640 8.221 -0.581 1
1 80 . 19 1 1 A 9 9 PHE HA H 9 4.130 4.025 0.105 1
1 87 . 19 1 1 A 9 9 PHE C C 9 178.600 177.564 1.036 1
1 88 . 19 1 1 A 9 9 PHE CA C 9 62.200 61.390 0.810 1
1 89 . 19 1 1 A 9 9 PHE CB C 9 40.400 39.279 1.121 1
1 94 . 19 1 1 A 9 9 PHE N N 9 118.200 122.422 -4.222 1
1 95 . 19 1 1 A 10 10 VAL H H 10 8.220 7.829 0.391 1
1 96 . 19 1 1 A 10 10 VAL HA H 10 3.590 3.846 -0.256 1
1 104 . 19 1 1 A 10 10 VAL C C 10 179.400 177.730 1.670 1
1 105 . 19 1 1 A 10 10 VAL CA C 10 66.800 64.441 2.359 1
1 106 . 19 1 1 A 10 10 VAL CB C 10 31.700 31.389 0.311 1
1 109 . 19 1 1 A 10 10 VAL N N 10 120.300 118.819 1.481 1
1 110 . 19 1 1 A 11 11 LYS H H 11 7.760 7.609 0.151 1
1 111 . 19 1 1 A 11 11 LYS HA H 11 4.050 3.941 0.109 1
1 120 . 19 1 1 A 11 11 LYS C C 11 179.000 179.483 -0.483 1
1 121 . 19 1 1 A 11 11 LYS CA C 11 59.300 60.014 -0.714 1
1 122 . 19 1 1 A 11 11 LYS CB C 11 32.600 32.428 0.172 1
1 126 . 19 1 1 A 11 11 LYS N N 11 119.600 122.723 -3.123 1
1 127 . 19 1 1 A 12 12 LEU H H 12 7.750 8.241 -0.491 1
1 128 . 19 1 1 A 12 12 LEU HA H 12 4.190 4.017 0.173 1
1 138 . 19 1 1 A 12 12 LEU C C 12 178.400 179.231 -0.831 1
1 139 . 19 1 1 A 12 12 LEU CA C 12 57.800 57.997 -0.197 1
1 140 . 19 1 1 A 12 12 LEU CB C 12 41.900 41.195 0.705 1
1 144 . 19 1 1 A 12 12 LEU N N 12 119.900 120.091 -0.191 1
1 145 . 19 1 1 A 13 13 ARG H H 13 7.600 8.064 -0.464 1
1 146 . 19 1 1 A 13 13 ARG HA H 13 3.940 3.893 0.047 1
1 153 . 19 1 1 A 13 13 ARG C C 13 178.600 178.964 -0.364 1
1 154 . 19 1 1 A 13 13 ARG CA C 13 59.000 59.609 -0.609 1
1 155 . 19 1 1 A 13 13 ARG CB C 13 30.200 29.674 0.526 1
1 158 . 19 1 1 A 13 13 ARG N N 13 115.300 119.084 -3.784 1
1 159 . 19 1 1 A 14 14 GLN H H 14 7.770 8.139 -0.369 1
1 160 . 19 1 1 A 14 14 GLN HA H 14 4.130 4.188 -0.058 1
1 167 . 19 1 1 A 14 14 GLN C C 14 176.500 178.304 -1.804 1
1 168 . 19 1 1 A 14 14 GLN CA C 14 57.100 58.441 -1.341 1
1 169 . 19 1 1 A 14 14 GLN CB C 14 28.200 28.545 -0.345 1
1 171 . 19 1 1 A 14 14 GLN N N 14 116.400 119.427 -3.027 1
1 173 . 19 1 1 A 15 15 PHE H H 15 8.030 8.090 -0.060 1
1 174 . 19 1 1 A 15 15 PHE HA H 15 4.220 4.116 0.104 1
1 181 . 19 1 1 A 15 15 PHE C C 15 175.200 175.343 -0.143 1
1 182 . 19 1 1 A 15 15 PHE CA C 15 59.100 61.299 -2.199 1
1 183 . 19 1 1 A 15 15 PHE CB C 15 38.800 39.318 -0.518 1
1 188 . 19 1 1 A 15 15 PHE N N 15 116.800 122.824 -6.024 1
1 189 . 19 1 1 A 16 16 LYS H H 16 7.470 8.086 -0.616 1
1 190 . 19 1 1 A 16 16 LYS HA H 16 4.190 4.330 -0.140 1
1 191 . 19 1 1 A 16 16 LYS CA C 16 58.400 56.621 1.779 1
1 192 . 19 1 1 A 16 16 LYS CB C 16 33.300 32.684 0.616 1
1 193 . 19 1 1 A 16 16 LYS N N 16 122.500 118.964 3.536 1
1 194 . 19 1 1 A 17 17 GLY HA2 H 17 3.920 3.827 0.093 1
1 195 . 19 1 1 A 17 17 GLY HA3 H 17 4.210 3.881 0.329 1
1 196 . 19 1 1 A 17 17 GLY C C 17 174.300 174.555 -0.255 1
1 197 . 19 1 1 A 17 17 GLY CA C 17 46.200 47.203 -1.003 1
1 198 . 19 1 1 A 18 18 LYS H H 18 8.230 8.390 -0.160 1
1 199 . 19 1 1 A 18 18 LYS HA H 18 4.550 4.148 0.402 1
1 208 . 19 1 1 A 18 18 LYS C C 18 175.800 176.391 -0.591 1
1 209 . 19 1 1 A 18 18 LYS CA C 18 56.100 56.489 -0.389 1
1 210 . 19 1 1 A 18 18 LYS CB C 18 33.700 32.459 1.241 1
1 214 . 19 1 1 A 18 18 LYS N N 18 118.100 122.723 -4.623 1
1 215 . 19 1 1 A 19 19 VAL H H 19 7.150 7.186 -0.036 1
1 216 . 19 1 1 A 19 19 VAL HA H 19 4.400 4.282 0.118 1
1 224 . 19 1 1 A 19 19 VAL CA C 19 58.800 60.282 -1.482 1
1 225 . 19 1 1 A 19 19 VAL CB C 19 34.300 33.264 1.036 1
1 228 . 19 1 1 A 19 19 VAL N N 19 111.100 114.490 -3.390 1
1 229 . 19 1 1 A 20 20 ASN HA H 20 4.660 4.699 -0.039 1
1 234 . 19 1 1 A 20 20 ASN C C 20 174.600 176.319 -1.719 1
1 235 . 19 1 1 A 20 20 ASN CA C 20 52.700 54.101 -1.401 1
1 236 . 19 1 1 A 20 20 ASN CB C 20 37.900 38.286 -0.386 1
1 238 . 19 1 1 A 21 21 PHE H H 21 8.580 8.997 -0.417 1
1 239 . 19 1 1 A 21 21 PHE HA H 21 3.730 3.922 -0.192 1
1 247 . 19 1 1 A 21 21 PHE C C 21 175.300 177.072 -1.772 1
1 248 . 19 1 1 A 21 21 PHE CA C 21 62.500 62.580 -0.080 1
1 249 . 19 1 1 A 21 21 PHE CB C 21 40.400 39.865 0.535 1
1 255 . 19 1 1 A 21 21 PHE N N 21 128.200 125.973 2.227 1
1 256 . 19 1 1 A 22 22 ASN H H 22 8.220 8.250 -0.030 1
1 257 . 19 1 1 A 22 22 ASN HA H 22 4.300 4.338 -0.038 1
1 262 . 19 1 1 A 22 22 ASN C C 22 177.800 178.031 -0.231 1
1 263 . 19 1 1 A 22 22 ASN CA C 22 56.400 56.576 -0.176 1
1 264 . 19 1 1 A 22 22 ASN CB C 22 37.900 37.928 -0.028 1
1 265 . 19 1 1 A 22 22 ASN N N 22 114.600 117.344 -2.744 1
1 267 . 19 1 1 A 23 23 LEU H H 23 7.440 7.615 -0.175 1
1 268 . 19 1 1 A 23 23 LEU HA H 23 4.190 4.094 0.096 1
1 278 . 19 1 1 A 23 23 LEU C C 23 177.800 178.631 -0.831 1
1 279 . 19 1 1 A 23 23 LEU CA C 23 56.900 57.809 -0.909 1
1 280 . 19 1 1 A 23 23 LEU CB C 23 41.400 41.820 -0.420 1
1 284 . 19 1 1 A 23 23 LEU N N 23 122.500 120.966 1.534 1
1 285 . 19 1 1 A 24 24 VAL H H 24 7.930 8.462 -0.532 1
1 286 . 19 1 1 A 24 24 VAL HA H 24 3.560 3.574 -0.014 1
1 294 . 19 1 1 A 24 24 VAL C C 24 177.500 177.735 -0.235 1
1 295 . 19 1 1 A 24 24 VAL CA C 24 67.200 67.075 0.125 1
1 296 . 19 1 1 A 24 24 VAL CB C 24 31.000 31.326 -0.326 1
1 299 . 19 1 1 A 24 24 VAL N N 24 119.400 119.106 0.294 1
1 300 . 19 1 1 A 25 25 MET H H 25 8.020 8.259 -0.239 1
1 301 . 19 1 1 A 25 25 MET HA H 25 3.640 3.965 -0.325 1
1 309 . 19 1 1 A 25 25 MET C C 25 176.800 178.240 -1.440 1
1 310 . 19 1 1 A 25 25 MET CA C 25 60.000 58.325 1.675 1
1 311 . 19 1 1 A 25 25 MET CB C 25 32.900 31.511 1.389 1
1 314 . 19 1 1 A 25 25 MET N N 25 116.600 118.879 -2.279 1
1 315 . 19 1 1 A 26 26 GLN H H 26 7.530 7.603 -0.073 1
1 316 . 19 1 1 A 26 26 GLN HA H 26 4.050 4.136 -0.086 1
1 323 . 19 1 1 A 26 26 GLN C C 26 177.800 178.550 -0.750 1
1 324 . 19 1 1 A 26 26 GLN CA C 26 59.100 58.815 0.285 1
1 325 . 19 1 1 A 26 26 GLN CB C 26 28.100 28.528 -0.428 1
1 327 . 19 1 1 A 26 26 GLN N N 26 118.200 118.718 -0.518 1
1 329 . 19 1 1 A 27 27 ILE H H 27 8.230 8.325 -0.095 1
1 330 . 19 1 1 A 27 27 ILE HA H 27 3.350 3.443 -0.093 1
1 340 . 19 1 1 A 27 27 ILE C C 27 177.700 178.503 -0.803 1
1 341 . 19 1 1 A 27 27 ILE CA C 27 65.900 65.891 0.009 1
1 342 . 19 1 1 A 27 27 ILE CB C 27 37.900 38.166 -0.266 1
1 346 . 19 1 1 A 27 27 ILE N N 27 120.700 120.647 0.053 1
1 347 . 19 1 1 A 28 28 LEU H H 28 8.550 8.531 0.019 1
1 348 . 19 1 1 A 28 28 LEU HA H 28 4.020 3.938 0.082 1
1 358 . 19 1 1 A 28 28 LEU C C 28 179.900 178.769 1.131 1
1 359 . 19 1 1 A 28 28 LEU CA C 28 58.400 58.233 0.167 1
1 360 . 19 1 1 A 28 28 LEU CB C 28 39.700 41.088 -1.388 1
1 364 . 19 1 1 A 28 28 LEU N N 28 118.900 118.685 0.215 1
1 365 . 19 1 1 A 29 29 ASP H H 29 8.470 8.212 0.258 1
1 366 . 19 1 1 A 29 29 ASP HA H 29 4.440 4.188 0.252 1
1 369 . 19 1 1 A 29 29 ASP C C 29 179.600 178.502 1.098 1
1 370 . 19 1 1 A 29 29 ASP CA C 29 57.400 57.910 -0.510 1
1 371 . 19 1 1 A 29 29 ASP CB C 29 40.400 41.615 -1.215 1
1 372 . 19 1 1 A 29 29 ASP N N 29 120.700 119.347 1.353 1
1 373 . 19 1 1 A 30 30 GLU H H 30 8.630 8.710 -0.080 1
1 374 . 19 1 1 A 30 30 GLU HA H 30 3.980 4.090 -0.110 1
1 379 . 19 1 1 A 30 30 GLU C C 30 180.600 178.732 1.868 1
1 380 . 19 1 1 A 30 30 GLU CA C 30 60.000 59.200 0.800 1
1 381 . 19 1 1 A 30 30 GLU CB C 30 29.900 29.563 0.337 1
1 383 . 19 1 1 A 30 30 GLU N N 30 120.800 118.841 1.959 1
1 384 . 19 1 1 A 31 31 ILE H H 31 8.520 7.688 0.832 1
1 385 . 19 1 1 A 31 31 ILE HA H 31 3.540 3.877 -0.337 1
1 395 . 19 1 1 A 31 31 ILE C C 31 176.400 178.012 -1.612 1
1 396 . 19 1 1 A 31 31 ILE CA C 31 66.600 63.838 2.762 1
1 397 . 19 1 1 A 31 31 ILE CB C 31 37.800 37.486 0.314 1
1 401 . 19 1 1 A 31 31 ILE N N 31 123.100 119.960 3.140 1
1 402 . 19 1 1 A 32 32 GLU H H 32 8.070 8.416 -0.346 1
1 403 . 19 1 1 A 32 32 GLU HA H 32 3.730 4.036 -0.306 1
1 408 . 19 1 1 A 32 32 GLU C C 32 178.400 179.109 -0.709 1
1 409 . 19 1 1 A 32 32 GLU CA C 32 60.800 59.356 1.444 1
1 410 . 19 1 1 A 32 32 GLU CB C 32 28.800 29.484 -0.684 1
1 412 . 19 1 1 A 32 32 GLU N N 32 120.300 121.501 -1.201 1
1 413 . 19 1 1 A 33 33 LEU H H 33 8.160 8.331 -0.171 1
1 414 . 19 1 1 A 33 33 LEU HA H 33 3.980 4.010 -0.030 1
1 424 . 19 1 1 A 33 33 LEU C C 33 180.100 178.552 1.548 1
1 425 . 19 1 1 A 33 33 LEU CA C 33 58.000 57.989 0.011 1
1 426 . 19 1 1 A 33 33 LEU CB C 33 42.100 41.107 0.993 1
1 430 . 19 1 1 A 33 33 LEU N N 33 117.900 120.147 -2.247 1
1 431 . 19 1 1 A 34 34 ASP H H 34 8.200 7.949 0.251 1
1 432 . 19 1 1 A 34 34 ASP HA H 34 4.290 4.331 -0.041 1
1 435 . 19 1 1 A 34 34 ASP C C 34 178.600 178.468 0.132 1
1 436 . 19 1 1 A 34 34 ASP CA C 34 58.200 57.780 0.420 1
1 437 . 19 1 1 A 34 34 ASP CB C 34 42.800 41.127 1.673 1
1 438 . 19 1 1 A 34 34 ASP N N 34 120.500 119.693 0.807 1
1 439 . 19 1 1 A 35 35 LEU H H 35 8.630 7.881 0.749 1
1 440 . 19 1 1 A 35 35 LEU HA H 35 4.360 4.065 0.295 1
1 450 . 19 1 1 A 35 35 LEU C C 35 179.000 176.708 2.292 1
1 451 . 19 1 1 A 35 35 LEU CA C 35 56.400 58.094 -1.694 1
1 452 . 19 1 1 A 35 35 LEU CB C 35 42.800 41.758 1.042 1
1 456 . 19 1 1 A 35 35 LEU N N 35 121.300 120.549 0.751 1
1 457 . 19 1 1 A 36 36 ARG H H 36 7.410 8.551 -1.141 1
1 458 . 19 1 1 A 36 36 ARG HA H 36 4.050 4.143 -0.093 1
1 465 . 19 1 1 A 36 36 ARG C C 36 177.800 176.210 1.590 1
1 466 . 19 1 1 A 36 36 ARG CA C 36 59.000 58.374 0.626 1
1 467 . 19 1 1 A 36 36 ARG CB C 36 30.000 30.193 -0.193 1
1 470 . 19 1 1 A 36 36 ARG N N 36 117.000 119.752 -2.752 1
1 471 . 19 1 1 A 37 37 GLY H H 37 7.580 8.297 -0.717 1
1 472 . 19 1 1 A 37 37 GLY HA2 H 37 3.830 4.111 -0.281 1
1 473 . 19 1 1 A 37 37 GLY HA3 H 37 4.280 4.130 0.150 1
1 474 . 19 1 1 A 37 37 GLY C C 37 174.800 175.080 -0.280 1
1 475 . 19 1 1 A 37 37 GLY CA C 37 45.200 45.600 -0.400 1
1 476 . 19 1 1 A 37 37 GLY N N 37 103.600 106.826 -3.226 1
1 477 . 19 1 1 A 38 38 SER H H 38 8.380 7.983 0.397 1
1 478 . 19 1 1 A 38 38 SER HA H 38 4.330 4.773 -0.443 1
1 481 . 19 1 1 A 38 38 SER C C 38 175.100 172.969 2.131 1
1 482 . 19 1 1 A 38 38 SER CA C 38 58.700 57.997 0.703 1
1 483 . 19 1 1 A 38 38 SER CB C 38 63.800 65.043 -1.243 1
1 484 . 19 1 1 A 38 38 SER N N 38 117.800 114.296 3.504 1
1 485 . 19 1 1 A 39 39 ASP H H 39 8.520 7.563 0.957 1
1 486 . 19 1 1 A 39 39 ASP HA H 39 4.470 4.950 -0.480 1
1 489 . 19 1 1 A 39 39 ASP C C 39 175.300 173.672 1.628 1
1 490 . 19 1 1 A 39 39 ASP CA C 39 55.400 52.702 2.698 1
1 491 . 19 1 1 A 39 39 ASP CB C 39 41.500 44.188 -2.688 1
1 492 . 19 1 1 A 39 39 ASP N N 39 120.500 120.876 -0.376 1
1 493 . 19 1 1 A 40 40 ASN H H 40 8.230 8.734 -0.504 1
1 494 . 19 1 1 A 40 40 ASN HA H 40 4.800 5.241 -0.441 1
1 499 . 19 1 1 A 40 40 ASN C C 40 174.600 175.700 -1.100 1
1 500 . 19 1 1 A 40 40 ASN CA C 40 52.900 52.099 0.801 1
1 501 . 19 1 1 A 40 40 ASN CB C 40 39.500 40.506 -1.006 1
1 502 . 19 1 1 A 40 40 ASN N N 40 116.100 118.203 -2.103 1
1 504 . 19 1 1 A 41 41 ILE H H 41 8.340 8.429 -0.089 1
1 505 . 19 1 1 A 41 41 ILE HA H 41 3.840 3.805 0.035 1
1 515 . 19 1 1 A 41 41 ILE C C 41 175.000 177.425 -2.425 1
1 516 . 19 1 1 A 41 41 ILE CA C 41 62.500 63.316 -0.816 1
1 517 . 19 1 1 A 41 41 ILE CB C 41 37.600 37.181 0.419 1
1 521 . 19 1 1 A 41 41 ILE N N 41 124.800 127.191 -2.391 1
1 522 . 19 1 1 A 42 42 LYS H H 42 7.790 7.999 -0.209 1
1 523 . 19 1 1 A 42 42 LYS HA H 42 3.780 3.938 -0.158 1
1 532 . 19 1 1 A 42 42 LYS C C 42 178.300 178.845 -0.545 1
1 533 . 19 1 1 A 42 42 LYS CA C 42 60.200 58.714 1.486 1
1 534 . 19 1 1 A 42 42 LYS CB C 42 31.800 31.629 0.171 1
1 538 . 19 1 1 A 42 42 LYS N N 42 122.100 119.809 2.291 1
1 539 . 19 1 1 A 43 43 THR H H 43 7.500 7.971 -0.471 1
1 540 . 19 1 1 A 43 43 THR HA H 43 3.790 3.712 0.078 1
1 545 . 19 1 1 A 43 43 THR C C 43 177.100 176.052 1.048 1
1 546 . 19 1 1 A 43 43 THR CA C 43 65.900 66.474 -0.574 1
1 547 . 19 1 1 A 43 43 THR CB C 43 68.400 68.297 0.103 1
1 549 . 19 1 1 A 43 43 THR N N 43 112.900 117.258 -4.358 1
1 550 . 19 1 1 A 44 44 SER H H 44 7.860 7.850 0.010 1
1 551 . 19 1 1 A 44 44 SER HA H 44 4.570 4.348 0.222 1
1 554 . 19 1 1 A 44 44 SER C C 44 175.100 176.009 -0.909 1
1 555 . 19 1 1 A 44 44 SER CA C 44 63.600 62.302 1.298 1
1 556 . 19 1 1 A 44 44 SER CB C 44 63.900 62.977 0.923 1
1 557 . 19 1 1 A 44 44 SER N N 44 119.700 117.192 2.508 1
1 558 . 19 1 1 A 45 45 ILE H H 45 8.240 8.056 0.184 1
1 559 . 19 1 1 A 45 45 ILE HA H 45 3.140 3.456 -0.316 1
1 569 . 19 1 1 A 45 45 ILE C C 45 176.500 177.998 -1.498 1
1 570 . 19 1 1 A 45 45 ILE CA C 45 66.200 64.480 1.720 1
1 571 . 19 1 1 A 45 45 ILE CB C 45 37.800 37.612 0.188 1
1 575 . 19 1 1 A 45 45 ILE N N 45 121.300 120.658 0.642 1
1 576 . 19 1 1 A 46 46 ILE H H 46 7.680 7.695 -0.015 1
1 577 . 19 1 1 A 46 46 ILE HA H 46 3.480 3.464 0.016 1
1 587 . 19 1 1 A 46 46 ILE C C 46 178.900 177.601 1.299 1
1 588 . 19 1 1 A 46 46 ILE CA C 46 65.300 65.112 0.188 1
1 589 . 19 1 1 A 46 46 ILE CB C 46 37.800 37.720 0.080 1
1 593 . 19 1 1 A 46 46 ILE N N 46 117.100 119.936 -2.836 1
1 594 . 19 1 1 A 47 47 TYR H H 47 8.400 7.464 0.936 1
1 595 . 19 1 1 A 47 47 TYR HA H 47 4.190 4.402 -0.212 1
1 602 . 19 1 1 A 47 47 TYR C C 47 178.700 178.596 0.104 1
1 603 . 19 1 1 A 47 47 TYR CA C 47 61.300 60.914 0.386 1
1 604 . 19 1 1 A 47 47 TYR CB C 47 38.400 38.085 0.315 1
1 609 . 19 1 1 A 47 47 TYR N N 47 120.900 119.693 1.207 1
1 610 . 19 1 1 A 48 48 VAL H H 48 8.480 7.907 0.573 1
1 611 . 19 1 1 A 48 48 VAL HA H 48 3.560 3.748 -0.188 1
1 619 . 19 1 1 A 48 48 VAL C C 48 179.600 177.991 1.609 1
1 620 . 19 1 1 A 48 48 VAL CA C 48 67.000 66.264 0.736 1
1 621 . 19 1 1 A 48 48 VAL CB C 48 31.700 31.891 -0.191 1
1 624 . 19 1 1 A 48 48 VAL N N 48 121.600 119.647 1.953 1
1 625 . 19 1 1 A 49 49 TYR H H 49 9.630 8.541 1.089 1
1 626 . 19 1 1 A 49 49 TYR HA H 49 4.080 4.237 -0.157 1
1 633 . 19 1 1 A 49 49 TYR C C 49 179.300 179.118 0.182 1
1 634 . 19 1 1 A 49 49 TYR CA C 49 59.900 60.349 -0.449 1
1 635 . 19 1 1 A 49 49 TYR CB C 49 35.300 37.663 -2.363 1
1 640 . 19 1 1 A 49 49 TYR N N 49 122.000 119.452 2.548 1
1 641 . 19 1 1 A 50 50 SER H H 50 8.120 8.345 -0.225 1
1 642 . 19 1 1 A 50 50 SER HA H 50 4.130 4.323 -0.193 1
1 645 . 19 1 1 A 50 50 SER C C 50 175.700 176.099 -0.399 1
1 646 . 19 1 1 A 50 50 SER CA C 50 62.000 61.007 0.993 1
1 647 . 19 1 1 A 50 50 SER CB C 50 62.900 62.809 0.091 1
1 648 . 19 1 1 A 50 50 SER N N 50 112.600 116.703 -4.103 1
1 649 . 19 1 1 A 51 51 SER H H 51 7.510 7.824 -0.314 1
1 650 . 19 1 1 A 51 51 SER HA H 51 4.350 4.378 -0.028 1
1 653 . 19 1 1 A 51 51 SER C C 51 173.600 174.884 -1.284 1
1 654 . 19 1 1 A 51 51 SER CA C 51 59.500 59.958 -0.458 1
1 655 . 19 1 1 A 51 51 SER CB C 51 63.300 63.555 -0.255 1
1 656 . 19 1 1 A 51 51 SER N N 51 116.800 116.024 0.776 1
1 657 . 19 1 1 A 52 52 HIS H H 52 7.590 7.808 -0.218 1
1 658 . 19 1 1 A 52 52 HIS HA H 52 4.890 4.998 -0.108 1
1 663 . 19 1 1 A 52 52 HIS C C 52 175.200 175.568 -0.368 1
1 664 . 19 1 1 A 52 52 HIS CA C 52 54.100 54.901 -0.801 1
1 665 . 19 1 1 A 52 52 HIS CB C 52 29.500 29.313 0.187 1
1 668 . 19 1 1 A 52 52 HIS N N 52 120.500 116.951 3.549 1
1 669 . 19 1 1 A 53 53 LEU H H 53 7.440 7.827 -0.387 1
1 670 . 19 1 1 A 53 53 LEU HA H 53 3.870 3.726 0.144 1
1 680 . 19 1 1 A 53 53 LEU C C 53 177.900 178.727 -0.827 1
1 681 . 19 1 1 A 53 53 LEU CA C 53 59.100 57.926 1.174 1
1 682 . 19 1 1 A 53 53 LEU CB C 53 42.300 41.293 1.007 1
1 686 . 19 1 1 A 53 53 LEU N N 53 121.400 121.058 0.342 1
1 687 . 19 1 1 A 54 54 ASP H H 54 8.400 8.431 -0.031 1
1 688 . 19 1 1 A 54 54 ASP HA H 54 4.290 4.314 -0.024 1
1 691 . 19 1 1 A 54 54 ASP C C 54 177.900 178.072 -0.172 1
1 692 . 19 1 1 A 54 54 ASP CA C 54 57.600 57.518 0.082 1
1 693 . 19 1 1 A 54 54 ASP CB C 54 40.200 40.125 0.075 1
1 694 . 19 1 1 A 54 54 ASP N N 54 115.900 120.158 -4.258 1
1 695 . 19 1 1 A 55 55 GLU H H 55 7.500 7.695 -0.195 1
1 696 . 19 1 1 A 55 55 GLU HA H 55 4.310 4.201 0.109 1
1 701 . 19 1 1 A 55 55 GLU C C 55 178.300 179.220 -0.920 1
1 702 . 19 1 1 A 55 55 GLU CA C 55 57.800 58.731 -0.931 1
1 703 . 19 1 1 A 55 55 GLU CB C 55 29.100 29.379 -0.279 1
1 705 . 19 1 1 A 55 55 GLU N N 55 120.100 119.196 0.904 1
1 706 . 19 1 1 A 56 56 ILE H H 56 7.720 7.716 0.004 1
1 707 . 19 1 1 A 56 56 ILE HA H 56 3.440 2.984 0.456 1
1 717 . 19 1 1 A 56 56 ILE C C 56 178.600 178.213 0.387 1
1 718 . 19 1 1 A 56 56 ILE CA C 56 62.500 64.878 -2.378 1
1 719 . 19 1 1 A 56 56 ILE CB C 56 36.200 37.451 -1.251 1
1 723 . 19 1 1 A 56 56 ILE N N 56 119.600 120.255 -0.655 1
1 724 . 19 1 1 A 57 57 ARG H H 57 8.200 8.337 -0.137 1
1 725 . 19 1 1 A 57 57 ARG HA H 57 3.930 4.074 -0.144 1
1 732 . 19 1 1 A 57 57 ARG C C 57 178.800 179.068 -0.268 1
1 733 . 19 1 1 A 57 57 ARG CA C 57 59.000 59.040 -0.040 1
1 734 . 19 1 1 A 57 57 ARG CB C 57 30.100 29.587 0.513 1
1 737 . 19 1 1 A 57 57 ARG N N 57 115.500 119.775 -4.275 1
1 738 . 19 1 1 A 58 58 LYS H H 58 7.400 7.430 -0.030 1
1 739 . 19 1 1 A 58 58 LYS HA H 58 4.210 4.100 0.110 1
1 748 . 19 1 1 A 58 58 LYS C C 58 176.800 177.338 -0.538 1
1 749 . 19 1 1 A 58 58 LYS CA C 58 58.100 59.109 -1.009 1
1 750 . 19 1 1 A 58 58 LYS CB C 58 33.100 33.208 -0.108 1
1 754 . 19 1 1 A 58 58 LYS N N 58 117.400 119.455 -2.055 1
1 755 . 19 1 1 A 59 59 ASN H H 59 7.630 7.741 -0.111 1
1 756 . 19 1 1 A 59 59 ASN HA H 59 5.310 5.309 0.001 1
1 761 . 19 1 1 A 59 59 ASN C C 59 174.900 175.742 -0.842 1
1 762 . 19 1 1 A 59 59 ASN CA C 59 52.100 52.606 -0.506 1
1 763 . 19 1 1 A 59 59 ASN CB C 59 40.200 39.316 0.884 1
1 764 . 19 1 1 A 59 59 ASN N N 59 119.200 115.617 3.583 1
1 766 . 19 1 1 A 60 60 LYS H H 60 7.460 8.222 -0.762 1
1 767 . 19 1 1 A 60 60 LYS HA H 60 4.070 4.444 -0.374 1
1 776 . 19 1 1 A 60 60 LYS C C 60 177.900 178.377 -0.477 1
1 777 . 19 1 1 A 60 60 LYS CA C 60 61.100 59.523 1.577 1
1 778 . 19 1 1 A 60 60 LYS CB C 60 33.300 31.965 1.335 1
1 782 . 19 1 1 A 60 60 LYS N N 60 122.700 119.198 3.502 1
1 783 . 19 1 1 A 61 61 GLU H H 61 8.660 8.044 0.616 1
1 784 . 19 1 1 A 61 61 GLU HA H 61 4.080 4.007 0.073 1
1 789 . 19 1 1 A 61 61 GLU C C 61 178.900 178.712 0.188 1
1 790 . 19 1 1 A 61 61 GLU CA C 61 60.100 59.126 0.974 1
1 791 . 19 1 1 A 61 61 GLU CB C 61 29.100 29.346 -0.246 1
1 793 . 19 1 1 A 61 61 GLU N N 61 117.300 119.676 -2.376 1
1 794 . 19 1 1 A 62 62 PHE H H 62 7.670 7.560 0.110 1
1 795 . 19 1 1 A 62 62 PHE HA H 62 3.420 3.745 -0.325 1
1 803 . 19 1 1 A 62 62 PHE C C 62 176.200 176.746 -0.546 1
1 804 . 19 1 1 A 62 62 PHE CA C 62 60.900 61.019 -0.119 1
1 805 . 19 1 1 A 62 62 PHE CB C 62 38.300 38.644 -0.344 1
1 811 . 19 1 1 A 62 62 PHE N N 62 119.300 120.787 -1.487 1
1 812 . 19 1 1 A 63 63 TYR H H 63 7.850 8.234 -0.384 1
1 813 . 19 1 1 A 63 63 TYR HA H 63 3.870 4.087 -0.217 1
1 820 . 19 1 1 A 63 63 TYR C C 63 180.200 177.622 2.578 1
1 821 . 19 1 1 A 63 63 TYR CA C 63 63.500 61.578 1.922 1
1 822 . 19 1 1 A 63 63 TYR CB C 63 37.100 37.089 0.011 1
1 827 . 19 1 1 A 63 63 TYR N N 63 116.500 117.550 -1.050 1
1 828 . 19 1 1 A 64 64 ASP H H 64 9.110 8.651 0.459 1
1 829 . 19 1 1 A 64 64 ASP HA H 64 4.650 4.451 0.199 1
1 832 . 19 1 1 A 64 64 ASP C C 64 178.700 178.625 0.075 1
1 833 . 19 1 1 A 64 64 ASP CA C 64 57.600 57.443 0.157 1
1 834 . 19 1 1 A 64 64 ASP CB C 64 39.800 41.136 -1.336 1
1 835 . 19 1 1 A 64 64 ASP N N 64 126.100 121.272 4.828 1
1 836 . 19 1 1 A 65 65 MET H H 65 7.600 8.068 -0.468 1
1 837 . 19 1 1 A 65 65 MET HA H 65 4.140 4.149 -0.009 1
1 845 . 19 1 1 A 65 65 MET C C 65 178.800 178.038 0.762 1
1 846 . 19 1 1 A 65 65 MET CA C 65 59.300 58.645 0.655 1
1 847 . 19 1 1 A 65 65 MET CB C 65 32.800 32.924 -0.124 1
1 850 . 19 1 1 A 65 65 MET N N 65 121.100 117.634 3.466 1
1 851 . 19 1 1 A 66 66 ILE H H 66 7.910 7.923 -0.013 1
1 852 . 19 1 1 A 66 66 ILE HA H 66 3.430 3.707 -0.277 1
1 862 . 19 1 1 A 66 66 ILE C C 66 177.000 177.896 -0.896 1
1 863 . 19 1 1 A 66 66 ILE CA C 66 64.500 64.206 0.294 1
1 864 . 19 1 1 A 66 66 ILE CB C 66 36.700 37.440 -0.740 1
1 868 . 19 1 1 A 66 66 ILE N N 66 116.900 116.235 0.665 1
1 869 . 19 1 1 A 67 67 ALA H H 67 7.660 8.230 -0.570 1
1 870 . 19 1 1 A 67 67 ALA HA H 67 3.940 3.904 0.036 1
1 874 . 19 1 1 A 67 67 ALA C C 67 180.200 179.722 0.478 1
1 875 . 19 1 1 A 67 67 ALA CA C 67 55.600 55.410 0.190 1
1 876 . 19 1 1 A 67 67 ALA CB C 67 18.000 18.176 -0.176 1
1 877 . 19 1 1 A 67 67 ALA N N 67 120.700 123.486 -2.786 1
1 878 . 19 1 1 A 68 68 GLU H H 68 7.660 7.553 0.107 1
1 879 . 19 1 1 A 68 68 GLU HA H 68 4.040 4.104 -0.064 1
1 884 . 19 1 1 A 68 68 GLU C C 68 179.000 179.070 -0.070 1
1 885 . 19 1 1 A 68 68 GLU CA C 68 59.300 59.079 0.221 1
1 886 . 19 1 1 A 68 68 GLU CB C 68 29.500 29.319 0.181 1
1 888 . 19 1 1 A 68 68 GLU N N 68 118.700 118.517 0.183 1
1 889 . 19 1 1 A 69 69 ILE H H 69 8.240 8.036 0.204 1
1 890 . 19 1 1 A 69 69 ILE HA H 69 3.630 3.800 -0.170 1
1 900 . 19 1 1 A 69 69 ILE C C 69 178.200 178.515 -0.315 1
1 901 . 19 1 1 A 69 69 ILE CA C 69 65.700 65.565 0.135 1
1 902 . 19 1 1 A 69 69 ILE CB C 69 38.100 37.629 0.471 1
1 906 . 19 1 1 A 69 69 ILE N N 69 120.700 119.287 1.413 1
1 907 . 19 1 1 A 70 70 LEU H H 70 8.770 8.993 -0.223 1
1 908 . 19 1 1 A 70 70 LEU HA H 70 3.960 3.914 0.046 1
1 918 . 19 1 1 A 70 70 LEU C C 70 179.300 179.621 -0.321 1
1 919 . 19 1 1 A 70 70 LEU CA C 70 59.100 58.395 0.705 1
1 920 . 19 1 1 A 70 70 LEU CB C 70 43.000 41.565 1.435 1
1 924 . 19 1 1 A 70 70 LEU N N 70 119.100 120.559 -1.459 1
1 925 . 19 1 1 A 71 71 GLN H H 71 7.660 7.794 -0.134 1
1 926 . 19 1 1 A 71 71 GLN HA H 71 3.960 4.168 -0.208 1
1 933 . 19 1 1 A 71 71 GLN C C 71 177.700 178.853 -1.153 1
1 934 . 19 1 1 A 71 71 GLN CA C 71 59.800 59.443 0.357 1
1 935 . 19 1 1 A 71 71 GLN CB C 71 30.000 28.347 1.653 1
1 937 . 19 1 1 A 71 71 GLN N N 71 114.200 118.155 -3.955 1
1 939 . 19 1 1 A 72 72 ARG H H 72 8.180 8.031 0.149 1
1 940 . 19 1 1 A 72 72 ARG HA H 72 4.000 4.014 -0.014 1
1 947 . 19 1 1 A 72 72 ARG C C 72 178.900 177.977 0.923 1
1 948 . 19 1 1 A 72 72 ARG CA C 72 58.900 59.021 -0.121 1
1 949 . 19 1 1 A 72 72 ARG CB C 72 31.100 30.002 1.098 1
1 952 . 19 1 1 A 72 72 ARG N N 72 118.300 120.407 -2.107 1
1 953 . 19 1 1 A 73 73 TYR H H 73 7.970 8.273 -0.303 1
1 954 . 19 1 1 A 73 73 TYR HA H 73 4.800 4.340 0.460 1
1 961 . 19 1 1 A 73 73 TYR C C 73 178.000 177.936 0.064 1
1 962 . 19 1 1 A 73 73 TYR CA C 73 60.100 59.794 0.306 1
1 963 . 19 1 1 A 73 73 TYR CB C 73 41.200 38.640 2.560 1
1 968 . 19 1 1 A 73 73 TYR N N 73 111.500 118.231 -6.731 1
1 969 . 19 1 1 A 74 74 TYR H H 74 8.750 8.164 0.586 1
1 970 . 19 1 1 A 74 74 TYR HA H 74 4.080 4.240 -0.160 1
1 977 . 19 1 1 A 74 74 TYR C C 74 176.600 177.537 -0.937 1
1 978 . 19 1 1 A 74 74 TYR CA C 74 62.400 61.041 1.359 1
1 979 . 19 1 1 A 74 74 TYR CB C 74 36.100 38.313 -2.213 1
1 984 . 19 1 1 A 74 74 TYR N N 74 121.500 120.264 1.236 1
1 985 . 19 1 1 A 75 75 LYS H H 75 7.760 7.375 0.385 1
1 986 . 19 1 1 A 75 75 LYS HA H 75 3.710 3.713 -0.003 1
1 995 . 19 1 1 A 75 75 LYS C C 75 177.500 178.597 -1.097 1
1 996 . 19 1 1 A 75 75 LYS CA C 75 57.600 58.374 -0.774 1
1 997 . 19 1 1 A 75 75 LYS CB C 75 31.800 32.268 -0.468 1
1 1001 . 19 1 1 A 75 75 LYS N N 75 120.300 120.003 0.297 1
1 1002 . 19 1 1 A 76 76 LYS H H 76 7.510 7.885 -0.375 1
1 1003 . 19 1 1 A 76 76 LYS HA H 76 4.230 4.072 0.158 1
1 1012 . 19 1 1 A 76 76 LYS C C 76 177.900 177.739 0.161 1
1 1013 . 19 1 1 A 76 76 LYS CA C 76 58.300 58.644 -0.344 1
1 1014 . 19 1 1 A 76 76 LYS CB C 76 33.700 33.110 0.590 1
1 1018 . 19 1 1 A 76 76 LYS N N 76 118.000 119.196 -1.196 1
1 1019 . 19 1 1 A 77 77 ILE H H 77 7.610 8.438 -0.828 1
1 1020 . 19 1 1 A 77 77 ILE HA H 77 4.670 4.448 0.222 1
1 1030 . 19 1 1 A 77 77 ILE C C 77 176.000 176.119 -0.119 1
1 1031 . 19 1 1 A 77 77 ILE CA C 77 60.600 60.955 -0.355 1
1 1032 . 19 1 1 A 77 77 ILE CB C 77 39.700 40.115 -0.415 1
1 1036 . 19 1 1 A 77 77 ILE N N 77 108.200 111.841 -3.641 1
1 1037 . 19 1 1 A 78 78 GLY H H 78 7.390 7.581 -0.191 1
1 1038 . 19 1 1 A 78 78 GLY HA2 H 78 4.730 4.135 0.595 1
1 1039 . 19 1 1 A 78 78 GLY HA3 H 78 3.970 4.154 -0.184 1
1 1040 . 19 1 1 A 78 78 GLY C C 78 175.800 174.967 0.833 1
1 1041 . 19 1 1 A 78 78 GLY CA C 78 44.900 44.615 0.285 1
1 1042 . 19 1 1 A 78 78 GLY N N 78 112.200 110.888 1.312 1
1 1043 . 19 1 1 A 79 79 ILE H H 79 9.030 8.812 0.218 1
1 1044 . 19 1 1 A 79 79 ILE HA H 79 4.080 4.000 0.080 1
1 1054 . 19 1 1 A 79 79 ILE C C 79 174.700 177.872 -3.172 1
1 1055 . 19 1 1 A 79 79 ILE CA C 79 62.900 63.396 -0.496 1
1 1056 . 19 1 1 A 79 79 ILE CB C 79 38.600 38.145 0.455 1
1 1060 . 19 1 1 A 79 79 ILE N N 79 125.700 121.840 3.860 1
1 1061 . 19 1 1 A 80 80 GLU H H 80 9.480 8.317 1.163 1
1 1062 . 19 1 1 A 80 80 GLU HA H 80 4.070 4.310 -0.240 1
1 1067 . 19 1 1 A 80 80 GLU C C 80 179.200 179.809 -0.609 1
1 1068 . 19 1 1 A 80 80 GLU CA C 80 59.700 59.717 -0.017 1
1 1069 . 19 1 1 A 80 80 GLU CB C 80 28.100 29.401 -1.301 1
1 1071 . 19 1 1 A 80 80 GLU N N 80 122.400 121.779 0.621 1
1 1072 . 19 1 1 A 81 81 ASN H H 81 7.570 8.021 -0.451 1
1 1073 . 19 1 1 A 81 81 ASN HA H 81 4.580 4.610 -0.030 1
1 1078 . 19 1 1 A 81 81 ASN C C 81 177.600 177.873 -0.273 1
1 1079 . 19 1 1 A 81 81 ASN CA C 81 55.600 56.225 -0.625 1
1 1080 . 19 1 1 A 81 81 ASN CB C 81 37.900 38.818 -0.918 1
1 1081 . 19 1 1 A 81 81 ASN N N 81 117.000 118.235 -1.235 1
1 1083 . 19 1 1 A 82 82 VAL H H 82 8.180 8.105 0.075 1
1 1084 . 19 1 1 A 82 82 VAL HA H 82 3.590 3.531 0.059 1
1 1092 . 19 1 1 A 82 82 VAL C C 82 176.900 177.896 -0.996 1
1 1093 . 19 1 1 A 82 82 VAL CA C 82 66.800 66.563 0.237 1
1 1094 . 19 1 1 A 82 82 VAL CB C 82 31.100 31.862 -0.762 1
1 1097 . 19 1 1 A 82 82 VAL N N 82 120.900 120.672 0.228 1
1 1098 . 19 1 1 A 83 83 ASN H H 83 8.440 8.751 -0.311 1
1 1099 . 19 1 1 A 83 83 ASN HA H 83 4.440 4.451 -0.011 1
1 1104 . 19 1 1 A 83 83 ASN C C 83 177.700 177.887 -0.187 1
1 1105 . 19 1 1 A 83 83 ASN CA C 83 56.000 56.465 -0.465 1
1 1106 . 19 1 1 A 83 83 ASN CB C 83 37.000 37.710 -0.710 1
1 1107 . 19 1 1 A 83 83 ASN N N 83 120.500 119.050 1.450 1
1 1109 . 19 1 1 A 84 84 GLN H H 84 7.550 7.518 0.032 1
1 1110 . 19 1 1 A 84 84 GLN HA H 84 4.050 4.051 -0.001 1
1 1117 . 19 1 1 A 84 84 GLN C C 84 179.000 178.514 0.486 1
1 1118 . 19 1 1 A 84 84 GLN CA C 84 58.900 58.656 0.244 1
1 1119 . 19 1 1 A 84 84 GLN CB C 84 28.300 28.093 0.207 1
1 1121 . 19 1 1 A 84 84 GLN N N 84 116.900 119.369 -2.469 1
1 1123 . 19 1 1 A 85 85 LEU H H 85 7.990 7.830 0.160 1
1 1124 . 19 1 1 A 85 85 LEU HA H 85 4.080 4.168 -0.088 1
1 1134 . 19 1 1 A 85 85 LEU C C 85 180.400 179.595 0.805 1
1 1135 . 19 1 1 A 85 85 LEU CA C 85 58.200 57.447 0.753 1
1 1136 . 19 1 1 A 85 85 LEU CB C 85 41.700 41.207 0.493 1
1 1140 . 19 1 1 A 85 85 LEU N N 85 121.300 119.094 2.206 1
1 1141 . 19 1 1 A 86 86 ILE H H 86 8.630 8.328 0.302 1
1 1142 . 19 1 1 A 86 86 ILE HA H 86 3.560 3.629 -0.069 1
1 1152 . 19 1 1 A 86 86 ILE C C 86 177.700 178.670 -0.970 1
1 1153 . 19 1 1 A 86 86 ILE CA C 86 66.600 64.768 1.832 1
1 1154 . 19 1 1 A 86 86 ILE CB C 86 37.800 36.615 1.185 1
1 1158 . 19 1 1 A 86 86 ILE N N 86 122.000 121.147 0.853 1
1 1159 . 19 1 1 A 87 87 LEU H H 87 8.200 8.021 0.179 1
1 1160 . 19 1 1 A 87 87 LEU HA H 87 4.010 4.133 -0.123 1
1 1170 . 19 1 1 A 87 87 LEU C C 87 179.000 179.232 -0.232 1
1 1171 . 19 1 1 A 87 87 LEU CA C 87 58.200 58.125 0.075 1
1 1172 . 19 1 1 A 87 87 LEU CB C 87 40.800 42.011 -1.211 1
1 1176 . 19 1 1 A 87 87 LEU N N 87 118.300 119.960 -1.660 1
1 1177 . 19 1 1 A 88 88 THR H H 88 8.420 7.944 0.476 1
1 1178 . 19 1 1 A 88 88 THR HA H 88 4.000 4.053 -0.053 1
1 1183 . 19 1 1 A 88 88 THR C C 88 176.300 176.994 -0.694 1
1 1184 . 19 1 1 A 88 88 THR CA C 88 66.500 66.078 0.422 1
1 1185 . 19 1 1 A 88 88 THR CB C 88 69.400 68.486 0.914 1
1 1187 . 19 1 1 A 88 88 THR N N 88 112.700 115.857 -3.157 1
1 1188 . 19 1 1 A 89 89 THR H H 89 7.690 8.083 -0.393 1
1 1189 . 19 1 1 A 89 89 THR HA H 89 4.040 3.864 0.176 1
1 1194 . 19 1 1 A 89 89 THR C C 89 175.500 176.910 -1.410 1
1 1195 . 19 1 1 A 89 89 THR CA C 89 67.100 66.964 0.136 1
1 1196 . 19 1 1 A 89 89 THR CB C 89 68.500 68.310 0.190 1
1 1198 . 19 1 1 A 89 89 THR N N 89 116.600 117.988 -1.388 1
1 1199 . 19 1 1 A 90 90 ILE H H 90 8.330 7.623 0.707 1
1 1200 . 19 1 1 A 90 90 ILE HA H 90 4.420 3.927 0.493 1
1 1210 . 19 1 1 A 90 90 ILE C C 90 175.700 175.979 -0.279 1
1 1211 . 19 1 1 A 90 90 ILE CA C 90 62.000 64.400 -2.400 1
1 1212 . 19 1 1 A 90 90 ILE CB C 90 38.500 37.646 0.854 1
1 1216 . 19 1 1 A 90 90 ILE N N 90 125.300 115.672 9.628 1
1 1217 . 19 1 1 A 91 91 LYS H H 91 7.450 8.197 -0.747 1
1 1218 . 19 1 1 A 91 91 LYS HA H 91 3.970 4.409 -0.439 1
1 1227 . 19 1 1 A 91 91 LYS CA C 91 57.200 54.667 2.533 1
1 1228 . 19 1 1 A 91 91 LYS CB C 91 32.900 31.827 1.073 1
1 1 . 20 1 1 A 3 3 ILE H H 3 8.310 7.816 0.494 1
1 2 . 20 1 1 A 3 3 ILE HA H 3 3.740 3.966 -0.226 1
1 12 . 20 1 1 A 3 3 ILE C C 3 175.200 175.645 -0.445 1
1 13 . 20 1 1 A 3 3 ILE CA C 3 64.200 60.505 3.695 1
1 14 . 20 1 1 A 3 3 ILE CB C 3 37.400 36.256 1.144 1
1 18 . 20 1 1 A 3 3 ILE N N 3 124.900 121.029 3.871 1
1 19 . 20 1 1 A 4 4 LEU H H 4 7.270 8.006 -0.736 1
1 20 . 20 1 1 A 4 4 LEU HA H 4 3.680 4.340 -0.660 1
1 30 . 20 1 1 A 4 4 LEU C C 4 177.300 177.983 -0.683 1
1 31 . 20 1 1 A 4 4 LEU CA C 4 56.300 55.526 0.774 1
1 32 . 20 1 1 A 4 4 LEU CB C 4 41.100 41.805 -0.705 1
1 36 . 20 1 1 A 4 4 LEU N N 4 116.100 127.373 -11.273 1
1 37 . 20 1 1 A 5 5 GLU H H 5 7.350 7.993 -0.643 1
1 38 . 20 1 1 A 5 5 GLU HA H 5 4.290 4.198 0.092 1
1 43 . 20 1 1 A 5 5 GLU C C 5 176.300 176.287 0.013 1
1 44 . 20 1 1 A 5 5 GLU CA C 5 55.200 59.539 -4.339 1
1 45 . 20 1 1 A 5 5 GLU CB C 5 30.000 29.122 0.878 1
1 47 . 20 1 1 A 5 5 GLU N N 5 114.200 117.351 -3.151 1
1 48 . 20 1 1 A 6 6 ASP H H 6 7.860 7.385 0.475 1
1 49 . 20 1 1 A 6 6 ASP HA H 6 4.830 4.963 -0.133 1
1 52 . 20 1 1 A 6 6 ASP C C 6 175.500 175.559 -0.059 1
1 53 . 20 1 1 A 6 6 ASP CA C 6 53.000 51.269 1.731 1
1 54 . 20 1 1 A 6 6 ASP CB C 6 40.800 42.534 -1.734 1
1 55 . 20 1 1 A 6 6 ASP N N 6 125.000 121.827 3.173 1
1 56 . 20 1 1 A 7 7 PRO HA H 7 4.240 4.326 -0.086 1
1 63 . 20 1 1 A 7 7 PRO C C 7 179.000 178.585 0.415 1
1 64 . 20 1 1 A 7 7 PRO CA C 7 65.700 65.060 0.640 1
1 65 . 20 1 1 A 7 7 PRO CB C 7 32.300 32.074 0.226 1
1 68 . 20 1 1 A 8 8 GLU H H 8 9.250 8.570 0.680 1
1 69 . 20 1 1 A 8 8 GLU HA H 8 4.120 4.127 -0.007 1
1 74 . 20 1 1 A 8 8 GLU C C 8 178.100 179.008 -0.908 1
1 75 . 20 1 1 A 8 8 GLU CA C 8 60.000 59.095 0.905 1
1 76 . 20 1 1 A 8 8 GLU CB C 8 29.200 29.273 -0.073 1
1 78 . 20 1 1 A 8 8 GLU N N 8 117.600 118.248 -0.648 1
1 79 . 20 1 1 A 9 9 PHE H H 9 7.640 8.166 -0.526 1
1 80 . 20 1 1 A 9 9 PHE HA H 9 4.130 4.034 0.096 1
1 87 . 20 1 1 A 9 9 PHE C C 9 178.600 177.926 0.674 1
1 88 . 20 1 1 A 9 9 PHE CA C 9 62.200 61.084 1.116 1
1 89 . 20 1 1 A 9 9 PHE CB C 9 40.400 39.374 1.026 1
1 94 . 20 1 1 A 9 9 PHE N N 9 118.200 122.367 -4.167 1
1 95 . 20 1 1 A 10 10 VAL H H 10 8.220 8.043 0.177 1
1 96 . 20 1 1 A 10 10 VAL HA H 10 3.590 3.837 -0.247 1
1 104 . 20 1 1 A 10 10 VAL C C 10 179.400 177.735 1.665 1
1 105 . 20 1 1 A 10 10 VAL CA C 10 66.800 64.513 2.287 1
1 106 . 20 1 1 A 10 10 VAL CB C 10 31.700 31.404 0.296 1
1 109 . 20 1 1 A 10 10 VAL N N 10 120.300 118.873 1.427 1
1 110 . 20 1 1 A 11 11 LYS H H 11 7.760 7.752 0.008 1
1 111 . 20 1 1 A 11 11 LYS HA H 11 4.050 4.019 0.031 1
1 120 . 20 1 1 A 11 11 LYS C C 11 179.000 179.568 -0.568 1
1 121 . 20 1 1 A 11 11 LYS CA C 11 59.300 59.925 -0.625 1
1 122 . 20 1 1 A 11 11 LYS CB C 11 32.600 32.491 0.109 1
1 126 . 20 1 1 A 11 11 LYS N N 11 119.600 122.547 -2.947 1
1 127 . 20 1 1 A 12 12 LEU H H 12 7.750 7.943 -0.193 1
1 128 . 20 1 1 A 12 12 LEU HA H 12 4.190 4.058 0.132 1
1 138 . 20 1 1 A 12 12 LEU C C 12 178.400 179.215 -0.815 1
1 139 . 20 1 1 A 12 12 LEU CA C 12 57.800 57.828 -0.028 1
1 140 . 20 1 1 A 12 12 LEU CB C 12 41.900 41.127 0.773 1
1 144 . 20 1 1 A 12 12 LEU N N 12 119.900 120.037 -0.137 1
1 145 . 20 1 1 A 13 13 ARG H H 13 7.600 7.781 -0.181 1
1 146 . 20 1 1 A 13 13 ARG HA H 13 3.940 3.975 -0.035 1
1 153 . 20 1 1 A 13 13 ARG C C 13 178.600 178.699 -0.099 1
1 154 . 20 1 1 A 13 13 ARG CA C 13 59.000 59.459 -0.459 1
1 155 . 20 1 1 A 13 13 ARG CB C 13 30.200 29.629 0.571 1
1 158 . 20 1 1 A 13 13 ARG N N 13 115.300 119.249 -3.949 1
1 159 . 20 1 1 A 14 14 GLN H H 14 7.770 7.774 -0.004 1
1 160 . 20 1 1 A 14 14 GLN HA H 14 4.130 4.217 -0.087 1
1 167 . 20 1 1 A 14 14 GLN C C 14 176.500 178.210 -1.710 1
1 168 . 20 1 1 A 14 14 GLN CA C 14 57.100 57.919 -0.819 1
1 169 . 20 1 1 A 14 14 GLN CB C 14 28.200 28.594 -0.394 1
1 171 . 20 1 1 A 14 14 GLN N N 14 116.400 118.544 -2.144 1
1 173 . 20 1 1 A 15 15 PHE H H 15 8.030 8.097 -0.067 1
1 174 . 20 1 1 A 15 15 PHE HA H 15 4.220 4.121 0.099 1
1 181 . 20 1 1 A 15 15 PHE C C 15 175.200 175.292 -0.092 1
1 182 . 20 1 1 A 15 15 PHE CA C 15 59.100 61.057 -1.957 1
1 183 . 20 1 1 A 15 15 PHE CB C 15 38.800 39.772 -0.972 1
1 188 . 20 1 1 A 15 15 PHE N N 15 116.800 123.040 -6.240 1
1 189 . 20 1 1 A 16 16 LYS H H 16 7.470 8.204 -0.734 1
1 190 . 20 1 1 A 16 16 LYS HA H 16 4.190 4.296 -0.106 1
1 191 . 20 1 1 A 16 16 LYS CA C 16 58.400 58.470 -0.070 1
1 192 . 20 1 1 A 16 16 LYS CB C 16 33.300 31.198 2.102 1
1 193 . 20 1 1 A 16 16 LYS N N 16 122.500 117.860 4.640 1
1 194 . 20 1 1 A 17 17 GLY HA2 H 17 3.920 3.832 0.088 1
1 195 . 20 1 1 A 17 17 GLY HA3 H 17 4.210 3.899 0.311 1
1 196 . 20 1 1 A 17 17 GLY C C 17 174.300 174.436 -0.136 1
1 197 . 20 1 1 A 17 17 GLY CA C 17 46.200 46.563 -0.363 1
1 198 . 20 1 1 A 18 18 LYS H H 18 8.230 8.213 0.017 1
1 199 . 20 1 1 A 18 18 LYS HA H 18 4.550 4.367 0.183 1
1 208 . 20 1 1 A 18 18 LYS C C 18 175.800 175.836 -0.036 1
1 209 . 20 1 1 A 18 18 LYS CA C 18 56.100 56.283 -0.183 1
1 210 . 20 1 1 A 18 18 LYS CB C 18 33.700 32.565 1.135 1
1 214 . 20 1 1 A 18 18 LYS N N 18 118.100 123.300 -5.200 1
1 215 . 20 1 1 A 19 19 VAL H H 19 7.150 7.112 0.038 1
1 216 . 20 1 1 A 19 19 VAL HA H 19 4.400 4.847 -0.447 1
1 224 . 20 1 1 A 19 19 VAL CA C 19 58.800 58.618 0.182 1
1 225 . 20 1 1 A 19 19 VAL CB C 19 34.300 34.816 -0.516 1
1 228 . 20 1 1 A 19 19 VAL N N 19 111.100 114.750 -3.650 1
1 229 . 20 1 1 A 20 20 ASN HA H 20 4.660 4.958 -0.298 1
1 234 . 20 1 1 A 20 20 ASN C C 20 174.600 176.106 -1.506 1
1 235 . 20 1 1 A 20 20 ASN CA C 20 52.700 52.870 -0.170 1
1 236 . 20 1 1 A 20 20 ASN CB C 20 37.900 39.288 -1.388 1
1 238 . 20 1 1 A 21 21 PHE H H 21 8.580 9.083 -0.503 1
1 239 . 20 1 1 A 21 21 PHE HA H 21 3.730 4.015 -0.285 1
1 247 . 20 1 1 A 21 21 PHE C C 21 175.300 177.192 -1.892 1
1 248 . 20 1 1 A 21 21 PHE CA C 21 62.500 62.197 0.303 1
1 249 . 20 1 1 A 21 21 PHE CB C 21 40.400 39.485 0.915 1
1 255 . 20 1 1 A 21 21 PHE N N 21 128.200 127.544 0.656 1
1 256 . 20 1 1 A 22 22 ASN H H 22 8.220 8.399 -0.179 1
1 257 . 20 1 1 A 22 22 ASN HA H 22 4.300 4.394 -0.094 1
1 262 . 20 1 1 A 22 22 ASN C C 22 177.800 177.891 -0.091 1
1 263 . 20 1 1 A 22 22 ASN CA C 22 56.400 56.626 -0.226 1
1 264 . 20 1 1 A 22 22 ASN CB C 22 37.900 38.479 -0.579 1
1 265 . 20 1 1 A 22 22 ASN N N 22 114.600 118.147 -3.547 1
1 267 . 20 1 1 A 23 23 LEU H H 23 7.440 7.582 -0.142 1
1 268 . 20 1 1 A 23 23 LEU HA H 23 4.190 4.046 0.144 1
1 278 . 20 1 1 A 23 23 LEU C C 23 177.800 178.600 -0.800 1
1 279 . 20 1 1 A 23 23 LEU CA C 23 56.900 57.769 -0.869 1
1 280 . 20 1 1 A 23 23 LEU CB C 23 41.400 41.777 -0.377 1
1 284 . 20 1 1 A 23 23 LEU N N 23 122.500 121.323 1.177 1
1 285 . 20 1 1 A 24 24 VAL H H 24 7.930 8.362 -0.432 1
1 286 . 20 1 1 A 24 24 VAL HA H 24 3.560 3.526 0.034 1
1 294 . 20 1 1 A 24 24 VAL C C 24 177.500 177.588 -0.088 1
1 295 . 20 1 1 A 24 24 VAL CA C 24 67.200 67.100 0.100 1
1 296 . 20 1 1 A 24 24 VAL CB C 24 31.000 31.294 -0.294 1
1 299 . 20 1 1 A 24 24 VAL N N 24 119.400 119.126 0.274 1
1 300 . 20 1 1 A 25 25 MET H H 25 8.020 8.243 -0.223 1
1 301 . 20 1 1 A 25 25 MET HA H 25 3.640 3.904 -0.264 1
1 309 . 20 1 1 A 25 25 MET C C 25 176.800 178.017 -1.217 1
1 310 . 20 1 1 A 25 25 MET CA C 25 60.000 58.462 1.538 1
1 311 . 20 1 1 A 25 25 MET CB C 25 32.900 31.412 1.488 1
1 314 . 20 1 1 A 25 25 MET N N 25 116.600 119.328 -2.728 1
1 315 . 20 1 1 A 26 26 GLN H H 26 7.530 7.808 -0.278 1
1 316 . 20 1 1 A 26 26 GLN HA H 26 4.050 4.065 -0.015 1
1 323 . 20 1 1 A 26 26 GLN C C 26 177.800 178.563 -0.763 1
1 324 . 20 1 1 A 26 26 GLN CA C 26 59.100 58.898 0.202 1
1 325 . 20 1 1 A 26 26 GLN CB C 26 28.100 28.082 0.018 1
1 327 . 20 1 1 A 26 26 GLN N N 26 118.200 118.467 -0.267 1
1 329 . 20 1 1 A 27 27 ILE H H 27 8.230 8.450 -0.220 1
1 330 . 20 1 1 A 27 27 ILE HA H 27 3.350 3.520 -0.170 1
1 340 . 20 1 1 A 27 27 ILE C C 27 177.700 178.478 -0.778 1
1 341 . 20 1 1 A 27 27 ILE CA C 27 65.900 65.917 -0.017 1
1 342 . 20 1 1 A 27 27 ILE CB C 27 37.900 38.211 -0.311 1
1 346 . 20 1 1 A 27 27 ILE N N 27 120.700 120.813 -0.113 1
1 347 . 20 1 1 A 28 28 LEU H H 28 8.550 8.504 0.046 1
1 348 . 20 1 1 A 28 28 LEU HA H 28 4.020 3.941 0.079 1
1 358 . 20 1 1 A 28 28 LEU C C 28 179.900 179.074 0.826 1
1 359 . 20 1 1 A 28 28 LEU CA C 28 58.400 58.184 0.216 1
1 360 . 20 1 1 A 28 28 LEU CB C 28 39.700 40.886 -1.186 1
1 364 . 20 1 1 A 28 28 LEU N N 28 118.900 118.521 0.379 1
1 365 . 20 1 1 A 29 29 ASP H H 29 8.470 8.431 0.039 1
1 366 . 20 1 1 A 29 29 ASP HA H 29 4.440 4.250 0.190 1
1 369 . 20 1 1 A 29 29 ASP C C 29 179.600 178.468 1.132 1
1 370 . 20 1 1 A 29 29 ASP CA C 29 57.400 57.839 -0.439 1
1 371 . 20 1 1 A 29 29 ASP CB C 29 40.400 41.384 -0.984 1
1 372 . 20 1 1 A 29 29 ASP N N 29 120.700 119.444 1.256 1
1 373 . 20 1 1 A 30 30 GLU H H 30 8.630 8.757 -0.127 1
1 374 . 20 1 1 A 30 30 GLU HA H 30 3.980 4.074 -0.094 1
1 379 . 20 1 1 A 30 30 GLU C C 30 180.600 178.760 1.840 1
1 380 . 20 1 1 A 30 30 GLU CA C 30 60.000 59.172 0.828 1
1 381 . 20 1 1 A 30 30 GLU CB C 30 29.900 29.570 0.330 1
1 383 . 20 1 1 A 30 30 GLU N N 30 120.800 118.887 1.913 1
1 384 . 20 1 1 A 31 31 ILE H H 31 8.520 7.764 0.756 1
1 385 . 20 1 1 A 31 31 ILE HA H 31 3.540 3.885 -0.345 1
1 395 . 20 1 1 A 31 31 ILE C C 31 176.400 178.032 -1.632 1
1 396 . 20 1 1 A 31 31 ILE CA C 31 66.600 63.882 2.718 1
1 397 . 20 1 1 A 31 31 ILE CB C 31 37.800 37.496 0.304 1
1 401 . 20 1 1 A 31 31 ILE N N 31 123.100 120.069 3.031 1
1 402 . 20 1 1 A 32 32 GLU H H 32 8.070 8.347 -0.277 1
1 403 . 20 1 1 A 32 32 GLU HA H 32 3.730 4.020 -0.290 1
1 408 . 20 1 1 A 32 32 GLU C C 32 178.400 179.205 -0.805 1
1 409 . 20 1 1 A 32 32 GLU CA C 32 60.800 59.360 1.440 1
1 410 . 20 1 1 A 32 32 GLU CB C 32 28.800 29.482 -0.682 1
1 412 . 20 1 1 A 32 32 GLU N N 32 120.300 121.294 -0.994 1
1 413 . 20 1 1 A 33 33 LEU H H 33 8.160 8.094 0.066 1
1 414 . 20 1 1 A 33 33 LEU HA H 33 3.980 4.025 -0.045 1
1 424 . 20 1 1 A 33 33 LEU C C 33 180.100 178.386 1.714 1
1 425 . 20 1 1 A 33 33 LEU CA C 33 58.000 57.889 0.111 1
1 426 . 20 1 1 A 33 33 LEU CB C 33 42.100 41.181 0.919 1
1 430 . 20 1 1 A 33 33 LEU N N 33 117.900 120.228 -2.328 1
1 431 . 20 1 1 A 34 34 ASP H H 34 8.200 7.831 0.369 1
1 432 . 20 1 1 A 34 34 ASP HA H 34 4.290 4.388 -0.098 1
1 435 . 20 1 1 A 34 34 ASP C C 34 178.600 178.397 0.203 1
1 436 . 20 1 1 A 34 34 ASP CA C 34 58.200 57.569 0.631 1
1 437 . 20 1 1 A 34 34 ASP CB C 34 42.800 41.059 1.741 1
1 438 . 20 1 1 A 34 34 ASP N N 34 120.500 119.723 0.777 1
1 439 . 20 1 1 A 35 35 LEU H H 35 8.630 8.411 0.219 1
1 440 . 20 1 1 A 35 35 LEU HA H 35 4.360 4.036 0.324 1
1 450 . 20 1 1 A 35 35 LEU C C 35 179.000 177.366 1.634 1
1 451 . 20 1 1 A 35 35 LEU CA C 35 56.400 58.134 -1.734 1
1 452 . 20 1 1 A 35 35 LEU CB C 35 42.800 41.812 0.988 1
1 456 . 20 1 1 A 35 35 LEU N N 35 121.300 120.556 0.744 1
1 457 . 20 1 1 A 36 36 ARG H H 36 7.410 8.352 -0.942 1
1 458 . 20 1 1 A 36 36 ARG HA H 36 4.050 4.153 -0.103 1
1 465 . 20 1 1 A 36 36 ARG C C 36 177.800 178.130 -0.330 1
1 466 . 20 1 1 A 36 36 ARG CA C 36 59.000 59.298 -0.298 1
1 467 . 20 1 1 A 36 36 ARG CB C 36 30.000 29.940 0.060 1
1 470 . 20 1 1 A 36 36 ARG N N 36 117.000 119.019 -2.019 1
1 471 . 20 1 1 A 37 37 GLY H H 37 7.580 8.252 -0.672 1
1 472 . 20 1 1 A 37 37 GLY HA2 H 37 3.830 3.929 -0.099 1
1 473 . 20 1 1 A 37 37 GLY HA3 H 37 4.280 3.935 0.345 1
1 474 . 20 1 1 A 37 37 GLY C C 37 174.800 174.232 0.568 1
1 475 . 20 1 1 A 37 37 GLY CA C 37 45.200 46.921 -1.721 1
1 476 . 20 1 1 A 37 37 GLY N N 37 103.600 107.398 -3.798 1
1 477 . 20 1 1 A 38 38 SER H H 38 8.380 8.108 0.272 1
1 478 . 20 1 1 A 38 38 SER HA H 38 4.330 4.088 0.242 1
1 481 . 20 1 1 A 38 38 SER C C 38 175.100 173.816 1.284 1
1 482 . 20 1 1 A 38 38 SER CA C 38 58.700 58.933 -0.233 1
1 483 . 20 1 1 A 38 38 SER CB C 38 63.800 61.752 2.048 1
1 484 . 20 1 1 A 38 38 SER N N 38 117.800 110.871 6.929 1
1 485 . 20 1 1 A 39 39 ASP H H 39 8.520 8.307 0.213 1
1 486 . 20 1 1 A 39 39 ASP HA H 39 4.470 4.898 -0.428 1
1 489 . 20 1 1 A 39 39 ASP C C 39 175.300 175.389 -0.089 1
1 490 . 20 1 1 A 39 39 ASP CA C 39 55.400 55.145 0.255 1
1 491 . 20 1 1 A 39 39 ASP CB C 39 41.500 42.160 -0.660 1
1 492 . 20 1 1 A 39 39 ASP N N 39 120.500 119.807 0.693 1
1 493 . 20 1 1 A 40 40 ASN H H 40 8.230 7.976 0.254 1
1 494 . 20 1 1 A 40 40 ASN HA H 40 4.800 4.934 -0.134 1
1 499 . 20 1 1 A 40 40 ASN C C 40 174.600 174.975 -0.375 1
1 500 . 20 1 1 A 40 40 ASN CA C 40 52.900 51.805 1.095 1
1 501 . 20 1 1 A 40 40 ASN CB C 40 39.500 39.052 0.448 1
1 502 . 20 1 1 A 40 40 ASN N N 40 116.100 115.707 0.393 1
1 504 . 20 1 1 A 41 41 ILE H H 41 8.340 8.122 0.218 1
1 505 . 20 1 1 A 41 41 ILE HA H 41 3.840 3.857 -0.017 1
1 515 . 20 1 1 A 41 41 ILE C C 41 175.000 177.244 -2.244 1
1 516 . 20 1 1 A 41 41 ILE CA C 41 62.500 62.664 -0.164 1
1 517 . 20 1 1 A 41 41 ILE CB C 41 37.600 38.042 -0.442 1
1 521 . 20 1 1 A 41 41 ILE N N 41 124.800 124.777 0.023 1
1 522 . 20 1 1 A 42 42 LYS H H 42 7.790 8.173 -0.383 1
1 523 . 20 1 1 A 42 42 LYS HA H 42 3.780 3.984 -0.204 1
1 532 . 20 1 1 A 42 42 LYS C C 42 178.300 178.495 -0.195 1
1 533 . 20 1 1 A 42 42 LYS CA C 42 60.200 58.515 1.685 1
1 534 . 20 1 1 A 42 42 LYS CB C 42 31.800 32.008 -0.208 1
1 538 . 20 1 1 A 42 42 LYS N N 42 122.100 119.509 2.591 1
1 539 . 20 1 1 A 43 43 THR H H 43 7.500 7.958 -0.458 1
1 540 . 20 1 1 A 43 43 THR HA H 43 3.790 3.633 0.157 1
1 545 . 20 1 1 A 43 43 THR C C 43 177.100 175.802 1.298 1
1 546 . 20 1 1 A 43 43 THR CA C 43 65.900 66.443 -0.543 1
1 547 . 20 1 1 A 43 43 THR CB C 43 68.400 68.282 0.118 1
1 549 . 20 1 1 A 43 43 THR N N 43 112.900 116.939 -4.039 1
1 550 . 20 1 1 A 44 44 SER H H 44 7.860 7.470 0.390 1
1 551 . 20 1 1 A 44 44 SER HA H 44 4.570 4.175 0.395 1
1 554 . 20 1 1 A 44 44 SER C C 44 175.100 175.920 -0.820 1
1 555 . 20 1 1 A 44 44 SER CA C 44 63.600 62.379 1.221 1
1 556 . 20 1 1 A 44 44 SER CB C 44 63.900 62.835 1.065 1
1 557 . 20 1 1 A 44 44 SER N N 44 119.700 117.434 2.266 1
1 558 . 20 1 1 A 45 45 ILE H H 45 8.240 7.883 0.357 1
1 559 . 20 1 1 A 45 45 ILE HA H 45 3.140 3.371 -0.231 1
1 569 . 20 1 1 A 45 45 ILE C C 45 176.500 177.823 -1.323 1
1 570 . 20 1 1 A 45 45 ILE CA C 45 66.200 64.778 1.422 1
1 571 . 20 1 1 A 45 45 ILE CB C 45 37.800 37.475 0.325 1
1 575 . 20 1 1 A 45 45 ILE N N 45 121.300 120.654 0.646 1
1 576 . 20 1 1 A 46 46 ILE H H 46 7.680 7.675 0.005 1
1 577 . 20 1 1 A 46 46 ILE HA H 46 3.480 3.479 0.001 1
1 587 . 20 1 1 A 46 46 ILE C C 46 178.900 177.624 1.276 1
1 588 . 20 1 1 A 46 46 ILE CA C 46 65.300 65.122 0.178 1
1 589 . 20 1 1 A 46 46 ILE CB C 46 37.800 37.841 -0.041 1
1 593 . 20 1 1 A 46 46 ILE N N 46 117.100 119.596 -2.496 1
1 594 . 20 1 1 A 47 47 TYR H H 47 8.400 7.467 0.933 1
1 595 . 20 1 1 A 47 47 TYR HA H 47 4.190 4.387 -0.197 1
1 602 . 20 1 1 A 47 47 TYR C C 47 178.700 178.460 0.240 1
1 603 . 20 1 1 A 47 47 TYR CA C 47 61.300 61.007 0.293 1
1 604 . 20 1 1 A 47 47 TYR CB C 47 38.400 38.501 -0.101 1
1 609 . 20 1 1 A 47 47 TYR N N 47 120.900 120.004 0.896 1
1 610 . 20 1 1 A 48 48 VAL H H 48 8.480 7.896 0.584 1
1 611 . 20 1 1 A 48 48 VAL HA H 48 3.560 3.792 -0.232 1
1 619 . 20 1 1 A 48 48 VAL C C 48 179.600 177.991 1.609 1
1 620 . 20 1 1 A 48 48 VAL CA C 48 67.000 66.369 0.631 1
1 621 . 20 1 1 A 48 48 VAL CB C 48 31.700 31.737 -0.037 1
1 624 . 20 1 1 A 48 48 VAL N N 48 121.600 119.713 1.887 1
1 625 . 20 1 1 A 49 49 TYR H H 49 9.630 8.541 1.089 1
1 626 . 20 1 1 A 49 49 TYR HA H 49 4.080 4.311 -0.231 1
1 633 . 20 1 1 A 49 49 TYR C C 49 179.300 178.197 1.103 1
1 634 . 20 1 1 A 49 49 TYR CA C 49 59.900 59.699 0.201 1
1 635 . 20 1 1 A 49 49 TYR CB C 49 35.300 37.366 -2.066 1
1 640 . 20 1 1 A 49 49 TYR N N 49 122.000 119.477 2.523 1
1 641 . 20 1 1 A 50 50 SER H H 50 8.120 8.243 -0.123 1
1 642 . 20 1 1 A 50 50 SER HA H 50 4.130 4.238 -0.108 1
1 645 . 20 1 1 A 50 50 SER C C 50 175.700 176.485 -0.785 1
1 646 . 20 1 1 A 50 50 SER CA C 50 62.000 61.120 0.880 1
1 647 . 20 1 1 A 50 50 SER CB C 50 62.900 63.115 -0.215 1
1 648 . 20 1 1 A 50 50 SER N N 50 112.600 115.321 -2.721 1
1 649 . 20 1 1 A 51 51 SER H H 51 7.510 7.826 -0.316 1
1 650 . 20 1 1 A 51 51 SER HA H 51 4.350 4.355 -0.005 1
1 653 . 20 1 1 A 51 51 SER C C 51 173.600 174.671 -1.071 1
1 654 . 20 1 1 A 51 51 SER CA C 51 59.500 58.905 0.595 1
1 655 . 20 1 1 A 51 51 SER CB C 51 63.300 63.678 -0.378 1
1 656 . 20 1 1 A 51 51 SER N N 51 116.800 114.110 2.690 1
1 657 . 20 1 1 A 52 52 HIS H H 52 7.590 7.576 0.014 1
1 658 . 20 1 1 A 52 52 HIS HA H 52 4.890 4.951 -0.061 1
1 663 . 20 1 1 A 52 52 HIS C C 52 175.200 175.614 -0.414 1
1 664 . 20 1 1 A 52 52 HIS CA C 52 54.100 55.069 -0.969 1
1 665 . 20 1 1 A 52 52 HIS CB C 52 29.500 29.758 -0.258 1
1 668 . 20 1 1 A 52 52 HIS N N 52 120.500 118.026 2.474 1
1 669 . 20 1 1 A 53 53 LEU H H 53 7.440 7.856 -0.416 1
1 670 . 20 1 1 A 53 53 LEU HA H 53 3.870 3.793 0.077 1
1 680 . 20 1 1 A 53 53 LEU C C 53 177.900 178.388 -0.488 1
1 681 . 20 1 1 A 53 53 LEU CA C 53 59.100 58.325 0.775 1
1 682 . 20 1 1 A 53 53 LEU CB C 53 42.300 41.309 0.991 1
1 686 . 20 1 1 A 53 53 LEU N N 53 121.400 121.270 0.130 1
1 687 . 20 1 1 A 54 54 ASP H H 54 8.400 8.183 0.217 1
1 688 . 20 1 1 A 54 54 ASP HA H 54 4.290 4.180 0.110 1
1 691 . 20 1 1 A 54 54 ASP C C 54 177.900 178.890 -0.990 1
1 692 . 20 1 1 A 54 54 ASP CA C 54 57.600 57.989 -0.389 1
1 693 . 20 1 1 A 54 54 ASP CB C 54 40.200 41.787 -1.587 1
1 694 . 20 1 1 A 54 54 ASP N N 54 115.900 119.100 -3.200 1
1 695 . 20 1 1 A 55 55 GLU H H 55 7.500 8.149 -0.649 1
1 696 . 20 1 1 A 55 55 GLU HA H 55 4.310 4.166 0.144 1
1 701 . 20 1 1 A 55 55 GLU C C 55 178.300 179.209 -0.909 1
1 702 . 20 1 1 A 55 55 GLU CA C 55 57.800 58.896 -1.096 1
1 703 . 20 1 1 A 55 55 GLU CB C 55 29.100 29.473 -0.373 1
1 705 . 20 1 1 A 55 55 GLU N N 55 120.100 118.899 1.201 1
1 706 . 20 1 1 A 56 56 ILE H H 56 7.720 7.544 0.176 1
1 707 . 20 1 1 A 56 56 ILE HA H 56 3.440 3.076 0.364 1
1 717 . 20 1 1 A 56 56 ILE C C 56 178.600 177.789 0.811 1
1 718 . 20 1 1 A 56 56 ILE CA C 56 62.500 65.227 -2.727 1
1 719 . 20 1 1 A 56 56 ILE CB C 56 36.200 37.259 -1.059 1
1 723 . 20 1 1 A 56 56 ILE N N 56 119.600 120.398 -0.798 1
1 724 . 20 1 1 A 57 57 ARG H H 57 8.200 8.192 0.008 1
1 725 . 20 1 1 A 57 57 ARG HA H 57 3.930 3.968 -0.038 1
1 732 . 20 1 1 A 57 57 ARG C C 57 178.800 178.884 -0.084 1
1 733 . 20 1 1 A 57 57 ARG CA C 57 59.000 59.934 -0.934 1
1 734 . 20 1 1 A 57 57 ARG CB C 57 30.100 29.799 0.301 1
1 737 . 20 1 1 A 57 57 ARG N N 57 115.500 120.487 -4.987 1
1 738 . 20 1 1 A 58 58 LYS H H 58 7.400 7.862 -0.462 1
1 739 . 20 1 1 A 58 58 LYS HA H 58 4.210 4.160 0.050 1
1 748 . 20 1 1 A 58 58 LYS C C 58 176.800 177.344 -0.544 1
1 749 . 20 1 1 A 58 58 LYS CA C 58 58.100 58.818 -0.718 1
1 750 . 20 1 1 A 58 58 LYS CB C 58 33.100 32.706 0.394 1
1 754 . 20 1 1 A 58 58 LYS N N 58 117.400 119.361 -1.961 1
1 755 . 20 1 1 A 59 59 ASN H H 59 7.630 7.474 0.156 1
1 756 . 20 1 1 A 59 59 ASN HA H 59 5.310 5.319 -0.009 1
1 761 . 20 1 1 A 59 59 ASN C C 59 174.900 175.603 -0.703 1
1 762 . 20 1 1 A 59 59 ASN CA C 59 52.100 52.576 -0.476 1
1 763 . 20 1 1 A 59 59 ASN CB C 59 40.200 39.559 0.641 1
1 764 . 20 1 1 A 59 59 ASN N N 59 119.200 115.217 3.983 1
1 766 . 20 1 1 A 60 60 LYS H H 60 7.460 7.877 -0.417 1
1 767 . 20 1 1 A 60 60 LYS HA H 60 4.070 4.327 -0.257 1
1 776 . 20 1 1 A 60 60 LYS C C 60 177.900 178.323 -0.423 1
1 777 . 20 1 1 A 60 60 LYS CA C 60 61.100 59.582 1.518 1
1 778 . 20 1 1 A 60 60 LYS CB C 60 33.300 31.970 1.330 1
1 782 . 20 1 1 A 60 60 LYS N N 60 122.700 119.306 3.394 1
1 783 . 20 1 1 A 61 61 GLU H H 61 8.660 7.945 0.715 1
1 784 . 20 1 1 A 61 61 GLU HA H 61 4.080 4.035 0.045 1
1 789 . 20 1 1 A 61 61 GLU C C 61 178.900 178.819 0.081 1
1 790 . 20 1 1 A 61 61 GLU CA C 61 60.100 58.992 1.108 1
1 791 . 20 1 1 A 61 61 GLU CB C 61 29.100 29.389 -0.289 1
1 793 . 20 1 1 A 61 61 GLU N N 61 117.300 119.717 -2.417 1
1 794 . 20 1 1 A 62 62 PHE H H 62 7.670 7.884 -0.214 1
1 795 . 20 1 1 A 62 62 PHE HA H 62 3.420 3.632 -0.212 1
1 803 . 20 1 1 A 62 62 PHE C C 62 176.200 176.805 -0.605 1
1 804 . 20 1 1 A 62 62 PHE CA C 62 60.900 60.863 0.037 1
1 805 . 20 1 1 A 62 62 PHE CB C 62 38.300 38.368 -0.068 1
1 811 . 20 1 1 A 62 62 PHE N N 62 119.300 120.759 -1.459 1
1 812 . 20 1 1 A 63 63 TYR H H 63 7.850 8.545 -0.695 1
1 813 . 20 1 1 A 63 63 TYR HA H 63 3.870 4.076 -0.206 1
1 820 . 20 1 1 A 63 63 TYR C C 63 180.200 177.607 2.593 1
1 821 . 20 1 1 A 63 63 TYR CA C 63 63.500 61.864 1.636 1
1 822 . 20 1 1 A 63 63 TYR CB C 63 37.100 37.208 -0.108 1
1 827 . 20 1 1 A 63 63 TYR N N 63 116.500 117.795 -1.295 1
1 828 . 20 1 1 A 64 64 ASP H H 64 9.110 8.529 0.581 1
1 829 . 20 1 1 A 64 64 ASP HA H 64 4.650 4.417 0.233 1
1 832 . 20 1 1 A 64 64 ASP C C 64 178.700 178.531 0.169 1
1 833 . 20 1 1 A 64 64 ASP CA C 64 57.600 57.452 0.148 1
1 834 . 20 1 1 A 64 64 ASP CB C 64 39.800 41.075 -1.275 1
1 835 . 20 1 1 A 64 64 ASP N N 64 126.100 120.961 5.139 1
1 836 . 20 1 1 A 65 65 MET H H 65 7.600 8.303 -0.703 1
1 837 . 20 1 1 A 65 65 MET HA H 65 4.140 4.108 0.032 1
1 845 . 20 1 1 A 65 65 MET C C 65 178.800 178.000 0.800 1
1 846 . 20 1 1 A 65 65 MET CA C 65 59.300 58.808 0.492 1
1 847 . 20 1 1 A 65 65 MET CB C 65 32.800 32.733 0.067 1
1 850 . 20 1 1 A 65 65 MET N N 65 121.100 117.650 3.450 1
1 851 . 20 1 1 A 66 66 ILE H H 66 7.910 7.998 -0.088 1
1 852 . 20 1 1 A 66 66 ILE HA H 66 3.430 3.718 -0.288 1
1 862 . 20 1 1 A 66 66 ILE C C 66 177.000 177.928 -0.928 1
1 863 . 20 1 1 A 66 66 ILE CA C 66 64.500 64.127 0.373 1
1 864 . 20 1 1 A 66 66 ILE CB C 66 36.700 37.331 -0.631 1
1 868 . 20 1 1 A 66 66 ILE N N 66 116.900 116.189 0.711 1
1 869 . 20 1 1 A 67 67 ALA H H 67 7.660 8.399 -0.739 1
1 870 . 20 1 1 A 67 67 ALA HA H 67 3.940 3.972 -0.032 1
1 874 . 20 1 1 A 67 67 ALA C C 67 180.200 178.951 1.249 1
1 875 . 20 1 1 A 67 67 ALA CA C 67 55.600 55.874 -0.274 1
1 876 . 20 1 1 A 67 67 ALA CB C 67 18.000 18.561 -0.561 1
1 877 . 20 1 1 A 67 67 ALA N N 67 120.700 123.625 -2.925 1
1 878 . 20 1 1 A 68 68 GLU H H 68 7.660 8.541 -0.881 1
1 879 . 20 1 1 A 68 68 GLU HA H 68 4.040 4.026 0.014 1
1 884 . 20 1 1 A 68 68 GLU C C 68 179.000 179.273 -0.273 1
1 885 . 20 1 1 A 68 68 GLU CA C 68 59.300 59.615 -0.315 1
1 886 . 20 1 1 A 68 68 GLU CB C 68 29.500 29.586 -0.086 1
1 888 . 20 1 1 A 68 68 GLU N N 68 118.700 118.257 0.443 1
1 889 . 20 1 1 A 69 69 ILE H H 69 8.240 8.241 -0.001 1
1 890 . 20 1 1 A 69 69 ILE HA H 69 3.630 3.857 -0.227 1
1 900 . 20 1 1 A 69 69 ILE C C 69 178.200 178.595 -0.395 1
1 901 . 20 1 1 A 69 69 ILE CA C 69 65.700 65.529 0.171 1
1 902 . 20 1 1 A 69 69 ILE CB C 69 38.100 37.630 0.470 1
1 906 . 20 1 1 A 69 69 ILE N N 69 120.700 119.313 1.387 1
1 907 . 20 1 1 A 70 70 LEU H H 70 8.770 8.994 -0.224 1
1 908 . 20 1 1 A 70 70 LEU HA H 70 3.960 3.928 0.032 1
1 918 . 20 1 1 A 70 70 LEU C C 70 179.300 179.373 -0.073 1
1 919 . 20 1 1 A 70 70 LEU CA C 70 59.100 58.390 0.710 1
1 920 . 20 1 1 A 70 70 LEU CB C 70 43.000 41.502 1.498 1
1 924 . 20 1 1 A 70 70 LEU N N 70 119.100 120.447 -1.347 1
1 925 . 20 1 1 A 71 71 GLN H H 71 7.660 7.987 -0.327 1
1 926 . 20 1 1 A 71 71 GLN HA H 71 3.960 4.184 -0.224 1
1 933 . 20 1 1 A 71 71 GLN C C 71 177.700 178.928 -1.228 1
1 934 . 20 1 1 A 71 71 GLN CA C 71 59.800 59.062 0.738 1
1 935 . 20 1 1 A 71 71 GLN CB C 71 30.000 28.524 1.476 1
1 937 . 20 1 1 A 71 71 GLN N N 71 114.200 118.560 -4.360 1
1 939 . 20 1 1 A 72 72 ARG H H 72 8.180 8.247 -0.067 1
1 940 . 20 1 1 A 72 72 ARG HA H 72 4.000 3.916 0.084 1
1 947 . 20 1 1 A 72 72 ARG C C 72 178.900 177.609 1.291 1
1 948 . 20 1 1 A 72 72 ARG CA C 72 58.900 58.994 -0.094 1
1 949 . 20 1 1 A 72 72 ARG CB C 72 31.100 29.654 1.446 1
1 952 . 20 1 1 A 72 72 ARG N N 72 118.300 120.859 -2.559 1
1 953 . 20 1 1 A 73 73 TYR H H 73 7.970 8.269 -0.299 1
1 954 . 20 1 1 A 73 73 TYR HA H 73 4.800 4.383 0.417 1
1 961 . 20 1 1 A 73 73 TYR C C 73 178.000 177.833 0.167 1
1 962 . 20 1 1 A 73 73 TYR CA C 73 60.100 59.462 0.638 1
1 963 . 20 1 1 A 73 73 TYR CB C 73 41.200 39.450 1.750 1
1 968 . 20 1 1 A 73 73 TYR N N 73 111.500 117.729 -6.229 1
1 969 . 20 1 1 A 74 74 TYR H H 74 8.750 8.227 0.523 1
1 970 . 20 1 1 A 74 74 TYR HA H 74 4.080 4.361 -0.281 1
1 977 . 20 1 1 A 74 74 TYR C C 74 176.600 177.968 -1.368 1
1 978 . 20 1 1 A 74 74 TYR CA C 74 62.400 60.491 1.909 1
1 979 . 20 1 1 A 74 74 TYR CB C 74 36.100 37.697 -1.597 1
1 984 . 20 1 1 A 74 74 TYR N N 74 121.500 120.873 0.627 1
1 985 . 20 1 1 A 75 75 LYS H H 75 7.760 7.421 0.339 1
1 986 . 20 1 1 A 75 75 LYS HA H 75 3.710 3.486 0.224 1
1 995 . 20 1 1 A 75 75 LYS C C 75 177.500 179.307 -1.807 1
1 996 . 20 1 1 A 75 75 LYS CA C 75 57.600 58.784 -1.184 1
1 997 . 20 1 1 A 75 75 LYS CB C 75 31.800 31.833 -0.033 1
1 1001 . 20 1 1 A 75 75 LYS N N 75 120.300 122.274 -1.974 1
1 1002 . 20 1 1 A 76 76 LYS H H 76 7.510 7.833 -0.323 1
1 1003 . 20 1 1 A 76 76 LYS HA H 76 4.230 3.991 0.239 1
1 1012 . 20 1 1 A 76 76 LYS C C 76 177.900 178.419 -0.519 1
1 1013 . 20 1 1 A 76 76 LYS CA C 76 58.300 58.826 -0.526 1
1 1014 . 20 1 1 A 76 76 LYS CB C 76 33.700 32.605 1.095 1
1 1018 . 20 1 1 A 76 76 LYS N N 76 118.000 118.046 -0.046 1
1 1019 . 20 1 1 A 77 77 ILE H H 77 7.610 8.315 -0.705 1
1 1020 . 20 1 1 A 77 77 ILE HA H 77 4.670 4.467 0.203 1
1 1030 . 20 1 1 A 77 77 ILE C C 77 176.000 175.810 0.190 1
1 1031 . 20 1 1 A 77 77 ILE CA C 77 60.600 61.092 -0.492 1
1 1032 . 20 1 1 A 77 77 ILE CB C 77 39.700 40.324 -0.624 1
1 1036 . 20 1 1 A 77 77 ILE N N 77 108.200 111.627 -3.427 1
1 1037 . 20 1 1 A 78 78 GLY H H 78 7.390 7.595 -0.205 1
1 1038 . 20 1 1 A 78 78 GLY HA2 H 78 4.730 4.128 0.602 1
1 1039 . 20 1 1 A 78 78 GLY HA3 H 78 3.970 4.148 -0.178 1
1 1040 . 20 1 1 A 78 78 GLY C C 78 175.800 174.958 0.842 1
1 1041 . 20 1 1 A 78 78 GLY CA C 78 44.900 44.701 0.199 1
1 1042 . 20 1 1 A 78 78 GLY N N 78 112.200 109.670 2.530 1
1 1043 . 20 1 1 A 79 79 ILE H H 79 9.030 8.789 0.241 1
1 1044 . 20 1 1 A 79 79 ILE HA H 79 4.080 3.998 0.082 1
1 1054 . 20 1 1 A 79 79 ILE C C 79 174.700 177.864 -3.164 1
1 1055 . 20 1 1 A 79 79 ILE CA C 79 62.900 63.332 -0.432 1
1 1056 . 20 1 1 A 79 79 ILE CB C 79 38.600 37.937 0.663 1
1 1060 . 20 1 1 A 79 79 ILE N N 79 125.700 122.009 3.691 1
1 1061 . 20 1 1 A 80 80 GLU H H 80 9.480 8.286 1.194 1
1 1062 . 20 1 1 A 80 80 GLU HA H 80 4.070 3.950 0.120 1
1 1067 . 20 1 1 A 80 80 GLU C C 80 179.200 179.671 -0.471 1
1 1068 . 20 1 1 A 80 80 GLU CA C 80 59.700 59.723 -0.023 1
1 1069 . 20 1 1 A 80 80 GLU CB C 80 28.100 29.385 -1.285 1
1 1071 . 20 1 1 A 80 80 GLU N N 80 122.400 122.121 0.279 1
1 1072 . 20 1 1 A 81 81 ASN H H 81 7.570 8.084 -0.514 1
1 1073 . 20 1 1 A 81 81 ASN HA H 81 4.580 4.539 0.041 1
1 1078 . 20 1 1 A 81 81 ASN C C 81 177.600 177.935 -0.335 1
1 1079 . 20 1 1 A 81 81 ASN CA C 81 55.600 56.270 -0.670 1
1 1080 . 20 1 1 A 81 81 ASN CB C 81 37.900 38.816 -0.916 1
1 1081 . 20 1 1 A 81 81 ASN N N 81 117.000 118.238 -1.238 1
1 1083 . 20 1 1 A 82 82 VAL H H 82 8.180 7.933 0.247 1
1 1084 . 20 1 1 A 82 82 VAL HA H 82 3.590 3.553 0.037 1
1 1092 . 20 1 1 A 82 82 VAL C C 82 176.900 177.754 -0.854 1
1 1093 . 20 1 1 A 82 82 VAL CA C 82 66.800 66.486 0.314 1
1 1094 . 20 1 1 A 82 82 VAL CB C 82 31.100 31.870 -0.770 1
1 1097 . 20 1 1 A 82 82 VAL N N 82 120.900 120.350 0.550 1
1 1098 . 20 1 1 A 83 83 ASN H H 83 8.440 8.747 -0.307 1
1 1099 . 20 1 1 A 83 83 ASN HA H 83 4.440 4.400 0.040 1
1 1104 . 20 1 1 A 83 83 ASN C C 83 177.700 178.112 -0.412 1
1 1105 . 20 1 1 A 83 83 ASN CA C 83 56.000 56.738 -0.738 1
1 1106 . 20 1 1 A 83 83 ASN CB C 83 37.000 39.659 -2.659 1
1 1107 . 20 1 1 A 83 83 ASN N N 83 120.500 118.678 1.822 1
1 1109 . 20 1 1 A 84 84 GLN H H 84 7.550 7.605 -0.055 1
1 1110 . 20 1 1 A 84 84 GLN HA H 84 4.050 4.133 -0.083 1
1 1117 . 20 1 1 A 84 84 GLN C C 84 179.000 178.677 0.323 1
1 1118 . 20 1 1 A 84 84 GLN CA C 84 58.900 58.668 0.232 1
1 1119 . 20 1 1 A 84 84 GLN CB C 84 28.300 28.192 0.108 1
1 1121 . 20 1 1 A 84 84 GLN N N 84 116.900 119.487 -2.587 1
1 1123 . 20 1 1 A 85 85 LEU H H 85 7.990 8.234 -0.244 1
1 1124 . 20 1 1 A 85 85 LEU HA H 85 4.080 4.184 -0.104 1
1 1134 . 20 1 1 A 85 85 LEU C C 85 180.400 179.507 0.893 1
1 1135 . 20 1 1 A 85 85 LEU CA C 85 58.200 58.208 -0.008 1
1 1136 . 20 1 1 A 85 85 LEU CB C 85 41.700 41.520 0.180 1
1 1140 . 20 1 1 A 85 85 LEU N N 85 121.300 119.246 2.054 1
1 1141 . 20 1 1 A 86 86 ILE H H 86 8.630 8.415 0.215 1
1 1142 . 20 1 1 A 86 86 ILE HA H 86 3.560 3.549 0.011 1
1 1152 . 20 1 1 A 86 86 ILE C C 86 177.700 178.690 -0.990 1
1 1153 . 20 1 1 A 86 86 ILE CA C 86 66.600 65.185 1.415 1
1 1154 . 20 1 1 A 86 86 ILE CB C 86 37.800 37.388 0.412 1
1 1158 . 20 1 1 A 86 86 ILE N N 86 122.000 120.753 1.247 1
1 1159 . 20 1 1 A 87 87 LEU H H 87 8.200 8.010 0.190 1
1 1160 . 20 1 1 A 87 87 LEU HA H 87 4.010 4.149 -0.139 1
1 1170 . 20 1 1 A 87 87 LEU C C 87 179.000 178.911 0.089 1
1 1171 . 20 1 1 A 87 87 LEU CA C 87 58.200 58.138 0.062 1
1 1172 . 20 1 1 A 87 87 LEU CB C 87 40.800 41.702 -0.902 1
1 1176 . 20 1 1 A 87 87 LEU N N 87 118.300 118.788 -0.488 1
1 1177 . 20 1 1 A 88 88 THR H H 88 8.420 8.287 0.133 1
1 1178 . 20 1 1 A 88 88 THR HA H 88 4.000 4.083 -0.083 1
1 1183 . 20 1 1 A 88 88 THR C C 88 176.300 177.253 -0.953 1
1 1184 . 20 1 1 A 88 88 THR CA C 88 66.500 65.993 0.507 1
1 1185 . 20 1 1 A 88 88 THR CB C 88 69.400 68.175 1.225 1
1 1187 . 20 1 1 A 88 88 THR N N 88 112.700 116.004 -3.304 1
1 1188 . 20 1 1 A 89 89 THR H H 89 7.690 7.953 -0.263 1
1 1189 . 20 1 1 A 89 89 THR HA H 89 4.040 3.959 0.081 1
1 1194 . 20 1 1 A 89 89 THR C C 89 175.500 176.833 -1.333 1
1 1195 . 20 1 1 A 89 89 THR CA C 89 67.100 66.980 0.120 1
1 1196 . 20 1 1 A 89 89 THR CB C 89 68.500 67.844 0.656 1
1 1198 . 20 1 1 A 89 89 THR N N 89 116.600 117.772 -1.172 1
1 1199 . 20 1 1 A 90 90 ILE H H 90 8.330 7.372 0.958 1
1 1200 . 20 1 1 A 90 90 ILE HA H 90 4.420 4.022 0.398 1
1 1210 . 20 1 1 A 90 90 ILE C C 90 175.700 175.583 0.117 1
1 1211 . 20 1 1 A 90 90 ILE CA C 90 62.000 63.767 -1.767 1
1 1212 . 20 1 1 A 90 90 ILE CB C 90 38.500 37.895 0.605 1
1 1216 . 20 1 1 A 90 90 ILE N N 90 125.300 113.582 11.718 1
1 1217 . 20 1 1 A 91 91 LYS H H 91 7.450 8.014 -0.564 1
1 1218 . 20 1 1 A 91 91 LYS HA H 91 3.970 4.597 -0.627 1
1 1227 . 20 1 1 A 91 91 LYS CA C 91 57.200 55.027 2.173 1
1 1228 . 20 1 1 A 91 91 LYS CB C 91 32.900 33.627 -0.727 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 86 1.068 1
2 1 1 1 "RMS(OBS, PRED)" CA 89 1.184 1
3 1 1 1 "RMS(OBS, PRED)" CB 86 1.067 1
4 1 1 1 "RMS(OBS, PRED)" H 86 0.429 1
5 1 1 1 "RMS(OBS, PRED)" HA 92 0.250 1
6 1 1 1 "RMS(OBS, PRED)" N 85 3.166 1
7 1 2 1 "RMS(OBS, PRED)" C 86 1.045 1
8 1 2 1 "RMS(OBS, PRED)" CA 89 1.084 1
9 1 2 1 "RMS(OBS, PRED)" CB 86 1.000 1
10 1 2 1 "RMS(OBS, PRED)" H 86 0.462 1
11 1 2 1 "RMS(OBS, PRED)" HA 92 0.241 1
12 1 2 1 "RMS(OBS, PRED)" N 85 3.133 1
13 1 3 1 "RMS(OBS, PRED)" C 86 1.062 1
14 1 3 1 "RMS(OBS, PRED)" CA 89 1.070 1
15 1 3 1 "RMS(OBS, PRED)" CB 86 1.063 1
16 1 3 1 "RMS(OBS, PRED)" H 86 0.468 1
17 1 3 1 "RMS(OBS, PRED)" HA 92 0.261 1
18 1 3 1 "RMS(OBS, PRED)" N 85 2.821 1
19 1 4 1 "RMS(OBS, PRED)" C 86 1.173 1
20 1 4 1 "RMS(OBS, PRED)" CA 89 1.125 1
21 1 4 1 "RMS(OBS, PRED)" CB 86 1.147 1
22 1 4 1 "RMS(OBS, PRED)" H 86 0.424 1
23 1 4 1 "RMS(OBS, PRED)" HA 92 0.245 1
24 1 4 1 "RMS(OBS, PRED)" N 85 2.864 1
25 1 5 1 "RMS(OBS, PRED)" C 86 1.080 1
26 1 5 1 "RMS(OBS, PRED)" CA 89 1.117 1
27 1 5 1 "RMS(OBS, PRED)" CB 86 0.998 1
28 1 5 1 "RMS(OBS, PRED)" H 86 0.463 1
29 1 5 1 "RMS(OBS, PRED)" HA 92 0.217 1
30 1 5 1 "RMS(OBS, PRED)" N 85 3.123 1
31 1 6 1 "RMS(OBS, PRED)" C 86 1.047 1
32 1 6 1 "RMS(OBS, PRED)" CA 89 0.981 1
33 1 6 1 "RMS(OBS, PRED)" CB 86 1.010 1
34 1 6 1 "RMS(OBS, PRED)" H 86 0.468 1
35 1 6 1 "RMS(OBS, PRED)" HA 92 0.229 1
36 1 6 1 "RMS(OBS, PRED)" N 85 3.181 1
37 1 7 1 "RMS(OBS, PRED)" C 86 1.110 1
38 1 7 1 "RMS(OBS, PRED)" CA 89 1.090 1
39 1 7 1 "RMS(OBS, PRED)" CB 86 1.189 1
40 1 7 1 "RMS(OBS, PRED)" H 86 0.466 1
41 1 7 1 "RMS(OBS, PRED)" HA 92 0.262 1
42 1 7 1 "RMS(OBS, PRED)" N 85 2.827 1
43 1 8 1 "RMS(OBS, PRED)" C 86 1.032 1
44 1 8 1 "RMS(OBS, PRED)" CA 89 1.126 1
45 1 8 1 "RMS(OBS, PRED)" CB 86 0.999 1
46 1 8 1 "RMS(OBS, PRED)" H 86 0.477 1
47 1 8 1 "RMS(OBS, PRED)" HA 92 0.215 1
48 1 8 1 "RMS(OBS, PRED)" N 85 3.214 1
49 1 9 1 "RMS(OBS, PRED)" C 86 0.963 1
50 1 9 1 "RMS(OBS, PRED)" CA 89 1.047 1
51 1 9 1 "RMS(OBS, PRED)" CB 86 1.034 1
52 1 9 1 "RMS(OBS, PRED)" H 86 0.480 1
53 1 9 1 "RMS(OBS, PRED)" HA 92 0.227 1
54 1 9 1 "RMS(OBS, PRED)" N 85 2.884 1
55 1 10 1 "RMS(OBS, PRED)" C 86 1.089 1
56 1 10 1 "RMS(OBS, PRED)" CA 89 1.013 1
57 1 10 1 "RMS(OBS, PRED)" CB 86 1.037 1
58 1 10 1 "RMS(OBS, PRED)" H 86 0.455 1
59 1 10 1 "RMS(OBS, PRED)" HA 92 0.255 1
60 1 10 1 "RMS(OBS, PRED)" N 85 2.809 1
61 1 11 1 "RMS(OBS, PRED)" C 86 1.054 1
62 1 11 1 "RMS(OBS, PRED)" CA 89 1.163 1
63 1 11 1 "RMS(OBS, PRED)" CB 86 0.999 1
64 1 11 1 "RMS(OBS, PRED)" H 86 0.432 1
65 1 11 1 "RMS(OBS, PRED)" HA 92 0.226 1
66 1 11 1 "RMS(OBS, PRED)" N 85 3.028 1
67 1 12 1 "RMS(OBS, PRED)" C 86 1.008 1
68 1 12 1 "RMS(OBS, PRED)" CA 89 1.101 1
69 1 12 1 "RMS(OBS, PRED)" CB 86 1.090 1
70 1 12 1 "RMS(OBS, PRED)" H 86 0.435 1
71 1 12 1 "RMS(OBS, PRED)" HA 92 0.233 1
72 1 12 1 "RMS(OBS, PRED)" N 85 2.975 1
73 1 13 1 "RMS(OBS, PRED)" C 86 1.020 1
74 1 13 1 "RMS(OBS, PRED)" CA 89 1.077 1
75 1 13 1 "RMS(OBS, PRED)" CB 86 1.103 1
76 1 13 1 "RMS(OBS, PRED)" H 86 0.480 1
77 1 13 1 "RMS(OBS, PRED)" HA 92 0.284 1
78 1 13 1 "RMS(OBS, PRED)" N 85 2.879 1
79 1 14 1 "RMS(OBS, PRED)" C 86 1.126 1
80 1 14 1 "RMS(OBS, PRED)" CA 89 1.046 1
81 1 14 1 "RMS(OBS, PRED)" CB 86 0.958 1
82 1 14 1 "RMS(OBS, PRED)" H 86 0.459 1
83 1 14 1 "RMS(OBS, PRED)" HA 92 0.223 1
84 1 14 1 "RMS(OBS, PRED)" N 85 3.073 1
85 1 15 1 "RMS(OBS, PRED)" C 86 1.065 1
86 1 15 1 "RMS(OBS, PRED)" CA 89 1.235 1
87 1 15 1 "RMS(OBS, PRED)" CB 86 1.058 1
88 1 15 1 "RMS(OBS, PRED)" H 86 0.472 1
89 1 15 1 "RMS(OBS, PRED)" HA 92 0.225 1
90 1 15 1 "RMS(OBS, PRED)" N 85 3.057 1
91 1 16 1 "RMS(OBS, PRED)" C 86 1.056 1
92 1 16 1 "RMS(OBS, PRED)" CA 89 1.178 1
93 1 16 1 "RMS(OBS, PRED)" CB 86 1.140 1
94 1 16 1 "RMS(OBS, PRED)" H 86 0.459 1
95 1 16 1 "RMS(OBS, PRED)" HA 92 0.243 1
96 1 16 1 "RMS(OBS, PRED)" N 85 2.977 1
97 1 17 1 "RMS(OBS, PRED)" C 86 1.086 1
98 1 17 1 "RMS(OBS, PRED)" CA 89 1.152 1
99 1 17 1 "RMS(OBS, PRED)" CB 86 1.011 1
100 1 17 1 "RMS(OBS, PRED)" H 86 0.454 1
101 1 17 1 "RMS(OBS, PRED)" HA 92 0.243 1
102 1 17 1 "RMS(OBS, PRED)" N 85 2.990 1
103 1 18 1 "RMS(OBS, PRED)" C 86 1.080 1
104 1 18 1 "RMS(OBS, PRED)" CA 89 1.092 1
105 1 18 1 "RMS(OBS, PRED)" CB 86 1.120 1
106 1 18 1 "RMS(OBS, PRED)" H 86 0.449 1
107 1 18 1 "RMS(OBS, PRED)" HA 92 0.233 1
108 1 18 1 "RMS(OBS, PRED)" N 85 2.991 1
109 1 19 1 "RMS(OBS, PRED)" C 86 1.075 1
110 1 19 1 "RMS(OBS, PRED)" CA 89 1.235 1
111 1 19 1 "RMS(OBS, PRED)" CB 86 0.952 1
112 1 19 1 "RMS(OBS, PRED)" H 86 0.458 1
113 1 19 1 "RMS(OBS, PRED)" HA 92 0.230 1
114 1 19 1 "RMS(OBS, PRED)" N 85 3.140 1
115 1 20 1 "RMS(OBS, PRED)" C 86 1.032 1
116 1 20 1 "RMS(OBS, PRED)" CA 89 1.149 1
117 1 20 1 "RMS(OBS, PRED)" CB 86 0.953 1
118 1 20 1 "RMS(OBS, PRED)" H 86 0.460 1
119 1 20 1 "RMS(OBS, PRED)" HA 92 0.221 1
120 1 20 1 "RMS(OBS, PRED)" N 85 3.249 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 1 . 1 1 A 3 3 ILE H H 3 8.310 8.304 0.006 2
1 2 . 1 1 A 3 3 ILE HA H 3 3.740 3.953 -0.213 2
1 12 . 1 1 A 3 3 ILE C C 3 175.200 176.608 -1.408 2
1 13 . 1 1 A 3 3 ILE CA C 3 64.200 61.016 3.184 2
1 14 . 1 1 A 3 3 ILE CB C 3 37.400 38.874 -1.474 2
1 18 . 1 1 A 3 3 ILE N N 3 124.900 124.039 0.861 2
1 19 . 1 1 A 4 4 LEU H H 4 7.270 7.738 -0.468 2
1 20 . 1 1 A 4 4 LEU HA H 4 3.680 4.302 -0.622 2
1 30 . 1 1 A 4 4 LEU C C 4 177.300 177.855 -0.555 2
1 31 . 1 1 A 4 4 LEU CA C 4 56.300 55.454 0.846 2
1 32 . 1 1 A 4 4 LEU CB C 4 41.100 41.263 -0.163 2
1 36 . 1 1 A 4 4 LEU N N 4 116.100 122.736 -6.636 2
1 37 . 1 1 A 5 5 GLU H H 5 7.350 7.999 -0.649 2
1 38 . 1 1 A 5 5 GLU HA H 5 4.290 4.318 -0.028 2
1 43 . 1 1 A 5 5 GLU C C 5 176.300 176.104 0.196 2
1 44 . 1 1 A 5 5 GLU CA C 5 55.200 58.119 -2.919 2
1 45 . 1 1 A 5 5 GLU CB C 5 30.000 29.755 0.245 2
1 47 . 1 1 A 5 5 GLU N N 5 114.200 117.199 -2.999 2
1 48 . 1 1 A 6 6 ASP H H 6 7.860 7.667 0.193 2
1 49 . 1 1 A 6 6 ASP HA H 6 4.830 4.974 -0.144 2
1 52 . 1 1 A 6 6 ASP C C 6 175.500 175.720 -0.220 2
1 53 . 1 1 A 6 6 ASP CA C 6 53.000 51.260 1.740 2
1 54 . 1 1 A 6 6 ASP CB C 6 40.800 42.847 -2.047 2
1 55 . 1 1 A 6 6 ASP N N 6 125.000 121.842 3.158 2
1 56 . 1 1 A 7 7 PRO HA H 7 4.240 4.382 -0.142 2
1 63 . 1 1 A 7 7 PRO C C 7 179.000 178.442 0.558 2
1 64 . 1 1 A 7 7 PRO CA C 7 65.700 64.822 0.878 2
1 65 . 1 1 A 7 7 PRO CB C 7 32.300 32.151 0.149 2
1 68 . 1 1 A 8 8 GLU H H 8 9.250 8.585 0.665 2
1 69 . 1 1 A 8 8 GLU HA H 8 4.120 4.113 0.007 2
1 74 . 1 1 A 8 8 GLU C C 8 178.100 178.957 -0.857 2
1 75 . 1 1 A 8 8 GLU CA C 8 60.000 59.165 0.835 2
1 76 . 1 1 A 8 8 GLU CB C 8 29.200 29.287 -0.087 2
1 78 . 1 1 A 8 8 GLU N N 8 117.600 118.326 -0.726 2
1 79 . 1 1 A 9 9 PHE H H 9 7.640 8.213 -0.573 2
1 80 . 1 1 A 9 9 PHE HA H 9 4.130 4.008 0.122 2
1 87 . 1 1 A 9 9 PHE C C 9 178.600 177.593 1.007 2
1 88 . 1 1 A 9 9 PHE CA C 9 62.200 61.298 0.902 2
1 89 . 1 1 A 9 9 PHE CB C 9 40.400 39.275 1.125 2
1 94 . 1 1 A 9 9 PHE N N 9 118.200 122.290 -4.090 2
1 95 . 1 1 A 10 10 VAL H H 10 8.220 8.006 0.214 2
1 96 . 1 1 A 10 10 VAL HA H 10 3.590 3.774 -0.184 2
1 104 . 1 1 A 10 10 VAL C C 10 179.400 177.695 1.705 2
1 105 . 1 1 A 10 10 VAL CA C 10 66.800 64.514 2.286 2
1 106 . 1 1 A 10 10 VAL CB C 10 31.700 31.259 0.441 2
1 109 . 1 1 A 10 10 VAL N N 10 120.300 118.783 1.517 2
1 110 . 1 1 A 11 11 LYS H H 11 7.760 7.576 0.184 2
1 111 . 1 1 A 11 11 LYS HA H 11 4.050 3.950 0.100 2
1 120 . 1 1 A 11 11 LYS C C 11 179.000 179.570 -0.570 2
1 121 . 1 1 A 11 11 LYS CA C 11 59.300 59.926 -0.626 2
1 122 . 1 1 A 11 11 LYS CB C 11 32.600 32.308 0.292 2
1 126 . 1 1 A 11 11 LYS N N 11 119.600 122.665 -3.065 2
1 127 . 1 1 A 12 12 LEU H H 12 7.750 8.236 -0.486 2
1 128 . 1 1 A 12 12 LEU HA H 12 4.190 3.995 0.195 2
1 138 . 1 1 A 12 12 LEU C C 12 178.400 179.258 -0.858 2
1 139 . 1 1 A 12 12 LEU CA C 12 57.800 57.960 -0.160 2
1 140 . 1 1 A 12 12 LEU CB C 12 41.900 41.308 0.592 2
1 144 . 1 1 A 12 12 LEU N N 12 119.900 120.141 -0.241 2
1 145 . 1 1 A 13 13 ARG H H 13 7.600 7.897 -0.297 2
1 146 . 1 1 A 13 13 ARG HA H 13 3.940 3.891 0.049 2
1 153 . 1 1 A 13 13 ARG C C 13 178.600 178.779 -0.179 2
1 154 . 1 1 A 13 13 ARG CA C 13 59.000 59.445 -0.445 2
1 155 . 1 1 A 13 13 ARG CB C 13 30.200 29.639 0.561 2
1 158 . 1 1 A 13 13 ARG N N 13 115.300 119.238 -3.938 2
1 159 . 1 1 A 14 14 GLN H H 14 7.770 7.679 0.091 2
1 160 . 1 1 A 14 14 GLN HA H 14 4.130 4.168 -0.038 2
1 167 . 1 1 A 14 14 GLN C C 14 176.500 178.266 -1.766 2
1 168 . 1 1 A 14 14 GLN CA C 14 57.100 58.343 -1.243 2
1 169 . 1 1 A 14 14 GLN CB C 14 28.200 28.700 -0.500 2
1 171 . 1 1 A 14 14 GLN N N 14 116.400 118.695 -2.295 2
1 173 . 1 1 A 15 15 PHE H H 15 8.030 8.143 -0.113 2
1 174 . 1 1 A 15 15 PHE HA H 15 4.220 4.207 0.013 2
1 181 . 1 1 A 15 15 PHE C C 15 175.200 175.507 -0.307 2
1 182 . 1 1 A 15 15 PHE CA C 15 59.100 60.807 -1.707 2
1 183 . 1 1 A 15 15 PHE CB C 15 38.800 39.316 -0.516 2
1 188 . 1 1 A 15 15 PHE N N 15 116.800 121.681 -4.881 2
1 189 . 1 1 A 16 16 LYS H H 16 7.470 8.321 -0.851 2
1 190 . 1 1 A 16 16 LYS HA H 16 4.190 4.197 -0.007 2
1 191 . 1 1 A 16 16 LYS CA C 16 58.400 57.871 0.529 2
1 192 . 1 1 A 16 16 LYS CB C 16 33.300 31.574 1.726 2
1 193 . 1 1 A 16 16 LYS N N 16 122.500 118.225 4.275 2
1 194 . 1 1 A 17 17 GLY HA2 H 17 3.920 3.692 0.228 2
1 195 . 1 1 A 17 17 GLY HA3 H 17 4.210 3.874 0.336 2
1 196 . 1 1 A 17 17 GLY C C 17 174.300 174.475 -0.175 2
1 197 . 1 1 A 17 17 GLY CA C 17 46.200 45.736 0.464 2
1 198 . 1 1 A 18 18 LYS H H 18 8.230 8.143 0.087 2
1 199 . 1 1 A 18 18 LYS HA H 18 4.550 4.109 0.441 2
1 208 . 1 1 A 18 18 LYS C C 18 175.800 175.457 0.343 2
1 209 . 1 1 A 18 18 LYS CA C 18 56.100 56.587 -0.487 2
1 210 . 1 1 A 18 18 LYS CB C 18 33.700 31.426 2.274 2
1 214 . 1 1 A 18 18 LYS N N 18 118.100 120.463 -2.363 2
1 215 . 1 1 A 19 19 VAL H H 19 7.150 7.251 -0.101 2
1 216 . 1 1 A 19 19 VAL HA H 19 4.400 4.696 -0.296 2
1 224 . 1 1 A 19 19 VAL CA C 19 58.800 59.020 -0.220 2
1 225 . 1 1 A 19 19 VAL CB C 19 34.300 34.439 -0.139 2
1 228 . 1 1 A 19 19 VAL N N 19 111.100 115.125 -4.025 2
1 229 . 1 1 A 20 20 ASN HA H 20 4.660 4.860 -0.200 2
1 234 . 1 1 A 20 20 ASN C C 20 174.600 176.223 -1.623 2
1 235 . 1 1 A 20 20 ASN CA C 20 52.700 53.150 -0.450 2
1 236 . 1 1 A 20 20 ASN CB C 20 37.900 39.343 -1.443 2
1 238 . 1 1 A 21 21 PHE H H 21 8.580 9.096 -0.516 2
1 239 . 1 1 A 21 21 PHE HA H 21 3.730 3.983 -0.253 2
1 247 . 1 1 A 21 21 PHE C C 21 175.300 177.117 -1.817 2
1 248 . 1 1 A 21 21 PHE CA C 21 62.500 62.362 0.138 2
1 249 . 1 1 A 21 21 PHE CB C 21 40.400 39.586 0.814 2
1 255 . 1 1 A 21 21 PHE N N 21 128.200 127.155 1.045 2
1 256 . 1 1 A 22 22 ASN H H 22 8.220 8.367 -0.147 2
1 257 . 1 1 A 22 22 ASN HA H 22 4.300 4.401 -0.101 2
1 262 . 1 1 A 22 22 ASN C C 22 177.800 177.960 -0.160 2
1 263 . 1 1 A 22 22 ASN CA C 22 56.400 56.590 -0.190 2
1 264 . 1 1 A 22 22 ASN CB C 22 37.900 38.331 -0.431 2
1 265 . 1 1 A 22 22 ASN N N 22 114.600 117.945 -3.345 2
1 267 . 1 1 A 23 23 LEU H H 23 7.440 7.628 -0.188 2
1 268 . 1 1 A 23 23 LEU HA H 23 4.190 4.057 0.133 2
1 278 . 1 1 A 23 23 LEU C C 23 177.800 178.629 -0.829 2
1 279 . 1 1 A 23 23 LEU CA C 23 56.900 57.779 -0.879 2
1 280 . 1 1 A 23 23 LEU CB C 23 41.400 41.842 -0.442 2
1 284 . 1 1 A 23 23 LEU N N 23 122.500 120.963 1.537 2
1 285 . 1 1 A 24 24 VAL H H 24 7.930 8.290 -0.360 2
1 286 . 1 1 A 24 24 VAL HA H 24 3.560 3.553 0.007 2
1 294 . 1 1 A 24 24 VAL C C 24 177.500 177.605 -0.105 2
1 295 . 1 1 A 24 24 VAL CA C 24 67.200 67.054 0.146 2
1 296 . 1 1 A 24 24 VAL CB C 24 31.000 31.340 -0.340 2
1 299 . 1 1 A 24 24 VAL N N 24 119.400 119.071 0.329 2
1 300 . 1 1 A 25 25 MET H H 25 8.020 8.246 -0.226 2
1 301 . 1 1 A 25 25 MET HA H 25 3.640 3.964 -0.324 2
1 309 . 1 1 A 25 25 MET C C 25 176.800 178.111 -1.311 2
1 310 . 1 1 A 25 25 MET CA C 25 60.000 58.306 1.694 2
1 311 . 1 1 A 25 25 MET CB C 25 32.900 31.406 1.494 2
1 314 . 1 1 A 25 25 MET N N 25 116.600 119.185 -2.585 2
1 315 . 1 1 A 26 26 GLN H H 26 7.530 7.858 -0.328 2
1 316 . 1 1 A 26 26 GLN HA H 26 4.050 4.094 -0.044 2
1 323 . 1 1 A 26 26 GLN C C 26 177.800 178.500 -0.700 2
1 324 . 1 1 A 26 26 GLN CA C 26 59.100 58.805 0.295 2
1 325 . 1 1 A 26 26 GLN CB C 26 28.100 28.296 -0.196 2
1 327 . 1 1 A 26 26 GLN N N 26 118.200 118.585 -0.385 2
1 329 . 1 1 A 27 27 ILE H H 27 8.230 8.368 -0.138 2
1 330 . 1 1 A 27 27 ILE HA H 27 3.350 3.475 -0.125 2
1 340 . 1 1 A 27 27 ILE C C 27 177.700 178.399 -0.699 2
1 341 . 1 1 A 27 27 ILE CA C 27 65.900 65.887 0.013 2
1 342 . 1 1 A 27 27 ILE CB C 27 37.900 38.136 -0.236 2
1 346 . 1 1 A 27 27 ILE N N 27 120.700 120.637 0.063 2
1 347 . 1 1 A 28 28 LEU H H 28 8.550 8.428 0.122 2
1 348 . 1 1 A 28 28 LEU HA H 28 4.020 3.965 0.055 2
1 358 . 1 1 A 28 28 LEU C C 28 179.900 179.128 0.772 2
1 359 . 1 1 A 28 28 LEU CA C 28 58.400 58.172 0.228 2
1 360 . 1 1 A 28 28 LEU CB C 28 39.700 40.853 -1.153 2
1 364 . 1 1 A 28 28 LEU N N 28 118.900 118.713 0.187 2
1 365 . 1 1 A 29 29 ASP H H 29 8.470 8.341 0.129 2
1 366 . 1 1 A 29 29 ASP HA H 29 4.440 4.259 0.181 2
1 369 . 1 1 A 29 29 ASP C C 29 179.600 178.467 1.133 2
1 370 . 1 1 A 29 29 ASP CA C 29 57.400 57.801 -0.401 2
1 371 . 1 1 A 29 29 ASP CB C 29 40.400 41.321 -0.921 2
1 372 . 1 1 A 29 29 ASP N N 29 120.700 119.488 1.212 2
1 373 . 1 1 A 30 30 GLU H H 30 8.630 8.648 -0.018 2
1 374 . 1 1 A 30 30 GLU HA H 30 3.980 4.091 -0.111 2
1 379 . 1 1 A 30 30 GLU C C 30 180.600 178.840 1.760 2
1 380 . 1 1 A 30 30 GLU CA C 30 60.000 59.176 0.824 2
1 381 . 1 1 A 30 30 GLU CB C 30 29.900 29.575 0.325 2
1 383 . 1 1 A 30 30 GLU N N 30 120.800 118.948 1.852 2
1 384 . 1 1 A 31 31 ILE H H 31 8.520 7.723 0.797 2
1 385 . 1 1 A 31 31 ILE HA H 31 3.540 3.875 -0.335 2
1 395 . 1 1 A 31 31 ILE C C 31 176.400 178.016 -1.616 2
1 396 . 1 1 A 31 31 ILE CA C 31 66.600 63.905 2.695 2
1 397 . 1 1 A 31 31 ILE CB C 31 37.800 37.489 0.311 2
1 401 . 1 1 A 31 31 ILE N N 31 123.100 119.744 3.356 2
1 402 . 1 1 A 32 32 GLU H H 32 8.070 8.290 -0.220 2
1 403 . 1 1 A 32 32 GLU HA H 32 3.730 4.007 -0.277 2
1 408 . 1 1 A 32 32 GLU C C 32 178.400 178.989 -0.589 2
1 409 . 1 1 A 32 32 GLU CA C 32 60.800 59.343 1.457 2
1 410 . 1 1 A 32 32 GLU CB C 32 28.800 29.506 -0.706 2
1 412 . 1 1 A 32 32 GLU N N 32 120.300 121.413 -1.113 2
1 413 . 1 1 A 33 33 LEU H H 33 8.160 8.244 -0.084 2
1 414 . 1 1 A 33 33 LEU HA H 33 3.980 3.984 -0.004 2
1 424 . 1 1 A 33 33 LEU C C 33 180.100 178.312 1.788 2
1 425 . 1 1 A 33 33 LEU CA C 33 58.000 58.048 -0.049 2
1 426 . 1 1 A 33 33 LEU CB C 33 42.100 41.229 0.871 2
1 430 . 1 1 A 33 33 LEU N N 33 117.900 119.967 -2.067 2
1 431 . 1 1 A 34 34 ASP H H 34 8.200 7.979 0.221 2
1 432 . 1 1 A 34 34 ASP HA H 34 4.290 4.378 -0.088 2
1 435 . 1 1 A 34 34 ASP C C 34 178.600 178.336 0.264 2
1 436 . 1 1 A 34 34 ASP CA C 34 58.200 57.598 0.602 2
1 437 . 1 1 A 34 34 ASP CB C 34 42.800 41.104 1.696 2
1 438 . 1 1 A 34 34 ASP N N 34 120.500 119.779 0.721 2
1 439 . 1 1 A 35 35 LEU H H 35 8.630 8.334 0.296 2
1 440 . 1 1 A 35 35 LEU HA H 35 4.360 4.074 0.286 2
1 450 . 1 1 A 35 35 LEU C C 35 179.000 177.748 1.252 2
1 451 . 1 1 A 35 35 LEU CA C 35 56.400 57.739 -1.339 2
1 452 . 1 1 A 35 35 LEU CB C 35 42.800 41.575 1.225 2
1 456 . 1 1 A 35 35 LEU N N 35 121.300 120.542 0.758 2
1 457 . 1 1 A 36 36 ARG H H 36 7.410 8.025 -0.615 2
1 458 . 1 1 A 36 36 ARG HA H 36 4.050 4.041 0.009 2
1 465 . 1 1 A 36 36 ARG C C 36 177.800 177.500 0.301 2
1 466 . 1 1 A 36 36 ARG CA C 36 59.000 58.714 0.286 2
1 467 . 1 1 A 36 36 ARG CB C 36 30.000 29.610 0.390 2
1 470 . 1 1 A 36 36 ARG N N 36 117.000 118.762 -1.762 2
1 471 . 1 1 A 37 37 GLY H H 37 7.580 8.133 -0.553 2
1 472 . 1 1 A 37 37 GLY HA2 H 37 3.830 4.045 -0.215 2
1 473 . 1 1 A 37 37 GLY HA3 H 37 4.280 4.058 0.222 2
1 474 . 1 1 A 37 37 GLY C C 37 174.800 174.177 0.623 2
1 475 . 1 1 A 37 37 GLY CA C 37 45.200 45.916 -0.716 2
1 476 . 1 1 A 37 37 GLY N N 37 103.600 108.083 -4.483 2
1 477 . 1 1 A 38 38 SER H H 38 8.380 7.994 0.386 2
1 478 . 1 1 A 38 38 SER HA H 38 4.330 4.670 -0.341 2
1 481 . 1 1 A 38 38 SER C C 38 175.100 173.879 1.221 2
1 482 . 1 1 A 38 38 SER CA C 38 58.700 58.049 0.651 2
1 483 . 1 1 A 38 38 SER CB C 38 63.800 64.456 -0.656 2
1 484 . 1 1 A 38 38 SER N N 38 117.800 114.130 3.670 2
1 485 . 1 1 A 39 39 ASP H H 39 8.520 8.326 0.194 2
1 486 . 1 1 A 39 39 ASP HA H 39 4.470 4.870 -0.400 2
1 489 . 1 1 A 39 39 ASP C C 39 175.300 175.268 0.032 2
1 490 . 1 1 A 39 39 ASP CA C 39 55.400 54.506 0.894 2
1 491 . 1 1 A 39 39 ASP CB C 39 41.500 42.302 -0.802 2
1 492 . 1 1 A 39 39 ASP N N 39 120.500 121.283 -0.783 2
1 493 . 1 1 A 40 40 ASN H H 40 8.230 8.004 0.226 2
1 494 . 1 1 A 40 40 ASN HA H 40 4.800 5.021 -0.221 2
1 499 . 1 1 A 40 40 ASN C C 40 174.600 175.239 -0.639 2
1 500 . 1 1 A 40 40 ASN CA C 40 52.900 52.257 0.643 2
1 501 . 1 1 A 40 40 ASN CB C 40 39.500 39.400 0.100 2
1 502 . 1 1 A 40 40 ASN N N 40 116.100 116.916 -0.816 2
1 504 . 1 1 A 41 41 ILE H H 41 8.340 8.251 0.089 2
1 505 . 1 1 A 41 41 ILE HA H 41 3.840 3.819 0.021 2
1 515 . 1 1 A 41 41 ILE C C 41 175.000 177.346 -2.346 2
1 516 . 1 1 A 41 41 ILE CA C 41 62.500 63.001 -0.501 2
1 517 . 1 1 A 41 41 ILE CB C 41 37.600 37.727 -0.127 2
1 521 . 1 1 A 41 41 ILE N N 41 124.800 125.349 -0.549 2
1 522 . 1 1 A 42 42 LYS H H 42 7.790 8.186 -0.396 2
1 523 . 1 1 A 42 42 LYS HA H 42 3.780 3.956 -0.176 2
1 532 . 1 1 A 42 42 LYS C C 42 178.300 178.743 -0.443 2
1 533 . 1 1 A 42 42 LYS CA C 42 60.200 58.757 1.443 2
1 534 . 1 1 A 42 42 LYS CB C 42 31.800 31.760 0.040 2
1 538 . 1 1 A 42 42 LYS N N 42 122.100 120.285 1.815 2
1 539 . 1 1 A 43 43 THR H H 43 7.500 7.845 -0.345 2
1 540 . 1 1 A 43 43 THR HA H 43 3.790 3.682 0.108 2
1 545 . 1 1 A 43 43 THR C C 43 177.100 175.908 1.192 2
1 546 . 1 1 A 43 43 THR CA C 43 65.900 66.293 -0.393 2
1 547 . 1 1 A 43 43 THR CB C 43 68.400 68.372 0.028 2
1 549 . 1 1 A 43 43 THR N N 43 112.900 117.178 -4.278 2
1 550 . 1 1 A 44 44 SER H H 44 7.860 7.800 0.060 2
1 551 . 1 1 A 44 44 SER HA H 44 4.570 4.231 0.339 2
1 554 . 1 1 A 44 44 SER C C 44 175.100 175.942 -0.842 2
1 555 . 1 1 A 44 44 SER CA C 44 63.600 62.254 1.346 2
1 556 . 1 1 A 44 44 SER CB C 44 63.900 62.950 0.950 2
1 557 . 1 1 A 44 44 SER N N 44 119.700 117.322 2.378 2
1 558 . 1 1 A 45 45 ILE H H 45 8.240 7.934 0.306 2
1 559 . 1 1 A 45 45 ILE HA H 45 3.140 3.465 -0.325 2
1 569 . 1 1 A 45 45 ILE C C 45 176.500 177.953 -1.453 2
1 570 . 1 1 A 45 45 ILE CA C 45 66.200 64.682 1.518 2
1 571 . 1 1 A 45 45 ILE CB C 45 37.800 37.524 0.276 2
1 575 . 1 1 A 45 45 ILE N N 45 121.300 120.653 0.647 2
1 576 . 1 1 A 46 46 ILE H H 46 7.680 7.669 0.011 2
1 577 . 1 1 A 46 46 ILE HA H 46 3.480 3.474 0.006 2
1 587 . 1 1 A 46 46 ILE C C 46 178.900 177.701 1.199 2
1 588 . 1 1 A 46 46 ILE CA C 46 65.300 65.130 0.170 2
1 589 . 1 1 A 46 46 ILE CB C 46 37.800 37.753 0.047 2
1 593 . 1 1 A 46 46 ILE N N 46 117.100 119.829 -2.730 2
1 594 . 1 1 A 47 47 TYR H H 47 8.400 7.517 0.883 2
1 595 . 1 1 A 47 47 TYR HA H 47 4.190 4.401 -0.211 2
1 602 . 1 1 A 47 47 TYR C C 47 178.700 178.494 0.206 2
1 603 . 1 1 A 47 47 TYR CA C 47 61.300 60.900 0.400 2
1 604 . 1 1 A 47 47 TYR CB C 47 38.400 38.272 0.128 2
1 609 . 1 1 A 47 47 TYR N N 47 120.900 119.934 0.966 2
1 610 . 1 1 A 48 48 VAL H H 48 8.480 8.016 0.464 2
1 611 . 1 1 A 48 48 VAL HA H 48 3.560 3.878 -0.318 2
1 619 . 1 1 A 48 48 VAL C C 48 179.600 177.893 1.707 2
1 620 . 1 1 A 48 48 VAL CA C 48 67.000 66.377 0.623 2
1 621 . 1 1 A 48 48 VAL CB C 48 31.700 31.805 -0.105 2
1 624 . 1 1 A 48 48 VAL N N 48 121.600 119.750 1.850 2
1 625 . 1 1 A 49 49 TYR H H 49 9.630 8.478 1.152 2
1 626 . 1 1 A 49 49 TYR HA H 49 4.080 4.165 -0.085 2
1 633 . 1 1 A 49 49 TYR C C 49 179.300 178.492 0.808 2
1 634 . 1 1 A 49 49 TYR CA C 49 59.900 60.698 -0.798 2
1 635 . 1 1 A 49 49 TYR CB C 49 35.300 37.624 -2.324 2
1 640 . 1 1 A 49 49 TYR N N 49 122.000 119.415 2.585 2
1 641 . 1 1 A 50 50 SER H H 50 8.120 8.341 -0.221 2
1 642 . 1 1 A 50 50 SER HA H 50 4.130 4.303 -0.173 2
1 645 . 1 1 A 50 50 SER C C 50 175.700 176.230 -0.530 2
1 646 . 1 1 A 50 50 SER CA C 50 62.000 61.320 0.680 2
1 647 . 1 1 A 50 50 SER CB C 50 62.900 63.166 -0.266 2
1 648 . 1 1 A 50 50 SER N N 50 112.600 116.229 -3.629 2
1 649 . 1 1 A 51 51 SER H H 51 7.510 7.816 -0.306 2
1 650 . 1 1 A 51 51 SER HA H 51 4.350 4.294 0.056 2
1 653 . 1 1 A 51 51 SER C C 51 173.600 175.404 -1.804 2
1 654 . 1 1 A 51 51 SER CA C 51 59.500 60.671 -1.171 2
1 655 . 1 1 A 51 51 SER CB C 51 63.300 63.273 0.027 2
1 656 . 1 1 A 51 51 SER N N 51 116.800 115.640 1.160 2
1 657 . 1 1 A 52 52 HIS H H 52 7.590 7.989 -0.399 2
1 658 . 1 1 A 52 52 HIS HA H 52 4.890 4.919 -0.029 2
1 663 . 1 1 A 52 52 HIS C C 52 175.200 175.560 -0.360 2
1 664 . 1 1 A 52 52 HIS CA C 52 54.100 54.813 -0.713 2
1 665 . 1 1 A 52 52 HIS CB C 52 29.500 29.192 0.308 2
1 668 . 1 1 A 52 52 HIS N N 52 120.500 116.844 3.656 2
1 669 . 1 1 A 53 53 LEU H H 53 7.440 7.787 -0.347 2
1 670 . 1 1 A 53 53 LEU HA H 53 3.870 3.751 0.119 2
1 680 . 1 1 A 53 53 LEU C C 53 177.900 178.465 -0.565 2
1 681 . 1 1 A 53 53 LEU CA C 53 59.100 58.198 0.902 2
1 682 . 1 1 A 53 53 LEU CB C 53 42.300 41.306 0.994 2
1 686 . 1 1 A 53 53 LEU N N 53 121.400 121.170 0.230 2
1 687 . 1 1 A 54 54 ASP H H 54 8.400 8.187 0.213 2
1 688 . 1 1 A 54 54 ASP HA H 54 4.290 4.238 0.052 2
1 691 . 1 1 A 54 54 ASP C C 54 177.900 178.816 -0.916 2
1 692 . 1 1 A 54 54 ASP CA C 54 57.600 57.687 -0.087 2
1 693 . 1 1 A 54 54 ASP CB C 54 40.200 41.790 -1.590 2
1 694 . 1 1 A 54 54 ASP N N 54 115.900 119.267 -3.367 2
1 695 . 1 1 A 55 55 GLU H H 55 7.500 7.804 -0.304 2
1 696 . 1 1 A 55 55 GLU HA H 55 4.310 4.154 0.156 2
1 701 . 1 1 A 55 55 GLU C C 55 178.300 179.179 -0.879 2
1 702 . 1 1 A 55 55 GLU CA C 55 57.800 58.811 -1.011 2
1 703 . 1 1 A 55 55 GLU CB C 55 29.100 29.311 -0.211 2
1 705 . 1 1 A 55 55 GLU N N 55 120.100 118.907 1.193 2
1 706 . 1 1 A 56 56 ILE H H 56 7.720 7.721 -0.001 2
1 707 . 1 1 A 56 56 ILE HA H 56 3.440 3.147 0.293 2
1 717 . 1 1 A 56 56 ILE C C 56 178.600 178.249 0.351 2
1 718 . 1 1 A 56 56 ILE CA C 56 62.500 65.077 -2.577 2
1 719 . 1 1 A 56 56 ILE CB C 56 36.200 37.463 -1.263 2
1 723 . 1 1 A 56 56 ILE N N 56 119.600 120.303 -0.703 2
1 724 . 1 1 A 57 57 ARG H H 57 8.200 8.453 -0.253 2
1 725 . 1 1 A 57 57 ARG HA H 57 3.930 4.068 -0.138 2
1 732 . 1 1 A 57 57 ARG C C 57 178.800 178.721 0.079 2
1 733 . 1 1 A 57 57 ARG CA C 57 59.000 58.822 0.178 2
1 734 . 1 1 A 57 57 ARG CB C 57 30.100 29.658 0.442 2
1 737 . 1 1 A 57 57 ARG N N 57 115.500 120.611 -5.111 2
1 738 . 1 1 A 58 58 LYS H H 58 7.400 7.627 -0.227 2
1 739 . 1 1 A 58 58 LYS HA H 58 4.210 4.147 0.063 2
1 748 . 1 1 A 58 58 LYS C C 58 176.800 177.225 -0.425 2
1 749 . 1 1 A 58 58 LYS CA C 58 58.100 59.151 -1.051 2
1 750 . 1 1 A 58 58 LYS CB C 58 33.100 32.701 0.399 2
1 754 . 1 1 A 58 58 LYS N N 58 117.400 119.471 -2.071 2
1 755 . 1 1 A 59 59 ASN H H 59 7.630 7.764 -0.134 2
1 756 . 1 1 A 59 59 ASN HA H 59 5.310 5.276 0.034 2
1 761 . 1 1 A 59 59 ASN C C 59 174.900 175.187 -0.287 2
1 762 . 1 1 A 59 59 ASN CA C 59 52.100 52.405 -0.305 2
1 763 . 1 1 A 59 59 ASN CB C 59 40.200 38.957 1.243 2
1 764 . 1 1 A 59 59 ASN N N 59 119.200 115.712 3.488 2
1 766 . 1 1 A 60 60 LYS H H 60 7.460 8.255 -0.795 2
1 767 . 1 1 A 60 60 LYS HA H 60 4.070 4.376 -0.306 2
1 776 . 1 1 A 60 60 LYS C C 60 177.900 178.416 -0.516 2
1 777 . 1 1 A 60 60 LYS CA C 60 61.100 59.388 1.712 2
1 778 . 1 1 A 60 60 LYS CB C 60 33.300 31.965 1.335 2
1 782 . 1 1 A 60 60 LYS N N 60 122.700 119.192 3.508 2
1 783 . 1 1 A 61 61 GLU H H 61 8.660 8.066 0.594 2
1 784 . 1 1 A 61 61 GLU HA H 61 4.080 4.019 0.061 2
1 789 . 1 1 A 61 61 GLU C C 61 178.900 178.854 0.046 2
1 790 . 1 1 A 61 61 GLU CA C 61 60.100 59.113 0.987 2
1 791 . 1 1 A 61 61 GLU CB C 61 29.100 29.349 -0.249 2
1 793 . 1 1 A 61 61 GLU N N 61 117.300 119.676 -2.376 2
1 794 . 1 1 A 62 62 PHE H H 62 7.670 7.893 -0.223 2
1 795 . 1 1 A 62 62 PHE HA H 62 3.420 3.914 -0.494 2
1 803 . 1 1 A 62 62 PHE C C 62 176.200 176.880 -0.680 2
1 804 . 1 1 A 62 62 PHE CA C 62 60.900 61.117 -0.217 2
1 805 . 1 1 A 62 62 PHE CB C 62 38.300 38.759 -0.459 2
1 811 . 1 1 A 62 62 PHE N N 62 119.300 120.950 -1.650 2
1 812 . 1 1 A 63 63 TYR H H 63 7.850 8.307 -0.457 2
1 813 . 1 1 A 63 63 TYR HA H 63 3.870 4.174 -0.304 2
1 820 . 1 1 A 63 63 TYR C C 63 180.200 177.679 2.521 2
1 821 . 1 1 A 63 63 TYR CA C 63 63.500 61.824 1.676 2
1 822 . 1 1 A 63 63 TYR CB C 63 37.100 37.314 -0.214 2
1 827 . 1 1 A 63 63 TYR N N 63 116.500 117.618 -1.119 2
1 828 . 1 1 A 64 64 ASP H H 64 9.110 8.555 0.555 2
1 829 . 1 1 A 64 64 ASP HA H 64 4.650 4.457 0.193 2
1 832 . 1 1 A 64 64 ASP C C 64 178.700 178.576 0.124 2
1 833 . 1 1 A 64 64 ASP CA C 64 57.600 57.471 0.129 2
1 834 . 1 1 A 64 64 ASP CB C 64 39.800 41.091 -1.291 2
1 835 . 1 1 A 64 64 ASP N N 64 126.100 121.171 4.929 2
1 836 . 1 1 A 65 65 MET H H 65 7.600 8.169 -0.569 2
1 837 . 1 1 A 65 65 MET HA H 65 4.140 4.151 -0.011 2
1 845 . 1 1 A 65 65 MET C C 65 178.800 178.036 0.764 2
1 846 . 1 1 A 65 65 MET CA C 65 59.300 58.652 0.648 2
1 847 . 1 1 A 65 65 MET CB C 65 32.800 32.900 -0.100 2
1 850 . 1 1 A 65 65 MET N N 65 121.100 117.732 3.368 2
1 851 . 1 1 A 66 66 ILE H H 66 7.910 7.950 -0.040 2
1 852 . 1 1 A 66 66 ILE HA H 66 3.430 3.749 -0.319 2
1 862 . 1 1 A 66 66 ILE C C 66 177.000 177.901 -0.901 2
1 863 . 1 1 A 66 66 ILE CA C 66 64.500 64.143 0.357 2
1 864 . 1 1 A 66 66 ILE CB C 66 36.700 37.360 -0.660 2
1 868 . 1 1 A 66 66 ILE N N 66 116.900 116.316 0.584 2
1 869 . 1 1 A 67 67 ALA H H 67 7.660 8.330 -0.670 2
1 870 . 1 1 A 67 67 ALA HA H 67 3.940 3.944 -0.004 2
1 874 . 1 1 A 67 67 ALA C C 67 180.200 179.453 0.747 2
1 875 . 1 1 A 67 67 ALA CA C 67 55.600 55.655 -0.055 2
1 876 . 1 1 A 67 67 ALA CB C 67 18.000 18.236 -0.236 2
1 877 . 1 1 A 67 67 ALA N N 67 120.700 123.012 -2.312 2
1 878 . 1 1 A 68 68 GLU H H 68 7.660 7.860 -0.200 2
1 879 . 1 1 A 68 68 GLU HA H 68 4.040 4.070 -0.030 2
1 884 . 1 1 A 68 68 GLU C C 68 179.000 179.020 -0.020 2
1 885 . 1 1 A 68 68 GLU CA C 68 59.300 59.359 -0.059 2
1 886 . 1 1 A 68 68 GLU CB C 68 29.500 29.436 0.064 2
1 888 . 1 1 A 68 68 GLU N N 68 118.700 118.101 0.599 2
1 889 . 1 1 A 69 69 ILE H H 69 8.240 8.032 0.208 2
1 890 . 1 1 A 69 69 ILE HA H 69 3.630 3.817 -0.187 2
1 900 . 1 1 A 69 69 ILE C C 69 178.200 178.410 -0.210 2
1 901 . 1 1 A 69 69 ILE CA C 69 65.700 65.668 0.032 2
1 902 . 1 1 A 69 69 ILE CB C 69 38.100 37.747 0.353 2
1 906 . 1 1 A 69 69 ILE N N 69 120.700 119.769 0.931 2
1 907 . 1 1 A 70 70 LEU H H 70 8.770 8.895 -0.125 2
1 908 . 1 1 A 70 70 LEU HA H 70 3.960 3.913 0.047 2
1 918 . 1 1 A 70 70 LEU C C 70 179.300 179.492 -0.192 2
1 919 . 1 1 A 70 70 LEU CA C 70 59.100 58.336 0.764 2
1 920 . 1 1 A 70 70 LEU CB C 70 43.000 41.623 1.377 2
1 924 . 1 1 A 70 70 LEU N N 70 119.100 120.405 -1.305 2
1 925 . 1 1 A 71 71 GLN H H 71 7.660 7.830 -0.170 2
1 926 . 1 1 A 71 71 GLN HA H 71 3.960 4.135 -0.175 2
1 933 . 1 1 A 71 71 GLN C C 71 177.700 178.764 -1.064 2
1 934 . 1 1 A 71 71 GLN CA C 71 59.800 59.258 0.542 2
1 935 . 1 1 A 71 71 GLN CB C 71 30.000 28.512 1.488 2
1 937 . 1 1 A 71 71 GLN N N 71 114.200 118.019 -3.819 2
1 939 . 1 1 A 72 72 ARG H H 72 8.180 8.052 0.128 2
1 940 . 1 1 A 72 72 ARG HA H 72 4.000 3.990 0.010 2
1 947 . 1 1 A 72 72 ARG C C 72 178.900 177.853 1.047 2
1 948 . 1 1 A 72 72 ARG CA C 72 58.900 58.985 -0.085 2
1 949 . 1 1 A 72 72 ARG CB C 72 31.100 29.903 1.197 2
1 952 . 1 1 A 72 72 ARG N N 72 118.300 120.426 -2.126 2
1 953 . 1 1 A 73 73 TYR H H 73 7.970 8.252 -0.282 2
1 954 . 1 1 A 73 73 TYR HA H 73 4.800 4.368 0.432 2
1 961 . 1 1 A 73 73 TYR C C 73 178.000 177.798 0.202 2
1 962 . 1 1 A 73 73 TYR CA C 73 60.100 59.684 0.416 2
1 963 . 1 1 A 73 73 TYR CB C 73 41.200 38.930 2.270 2
1 968 . 1 1 A 73 73 TYR N N 73 111.500 117.952 -6.452 2
1 969 . 1 1 A 74 74 TYR H H 74 8.750 8.150 0.600 2
1 970 . 1 1 A 74 74 TYR HA H 74 4.080 4.258 -0.178 2
1 977 . 1 1 A 74 74 TYR C C 74 176.600 177.622 -1.022 2
1 978 . 1 1 A 74 74 TYR CA C 74 62.400 61.068 1.332 2
1 979 . 1 1 A 74 74 TYR CB C 74 36.100 38.300 -2.200 2
1 984 . 1 1 A 74 74 TYR N N 74 121.500 120.686 0.814 2
1 985 . 1 1 A 75 75 LYS H H 75 7.760 7.505 0.255 2
1 986 . 1 1 A 75 75 LYS HA H 75 3.710 3.677 0.033 2
1 995 . 1 1 A 75 75 LYS C C 75 177.500 178.334 -0.834 2
1 996 . 1 1 A 75 75 LYS CA C 75 57.600 58.344 -0.744 2
1 997 . 1 1 A 75 75 LYS CB C 75 31.800 32.140 -0.340 2
1 1001 . 1 1 A 75 75 LYS N N 75 120.300 119.793 0.507 2
1 1002 . 1 1 A 76 76 LYS H H 76 7.510 7.723 -0.213 2
1 1003 . 1 1 A 76 76 LYS HA H 76 4.230 4.092 0.138 2
1 1012 . 1 1 A 76 76 LYS C C 76 177.900 178.010 -0.110 2
1 1013 . 1 1 A 76 76 LYS CA C 76 58.300 58.430 -0.130 2
1 1014 . 1 1 A 76 76 LYS CB C 76 33.700 33.079 0.621 2
1 1018 . 1 1 A 76 76 LYS N N 76 118.000 118.930 -0.930 2
1 1019 . 1 1 A 77 77 ILE H H 77 7.610 8.352 -0.742 2
1 1020 . 1 1 A 77 77 ILE HA H 77 4.670 4.448 0.222 2
1 1030 . 1 1 A 77 77 ILE C C 77 176.000 175.869 0.131 2
1 1031 . 1 1 A 77 77 ILE CA C 77 60.600 61.084 -0.484 2
1 1032 . 1 1 A 77 77 ILE CB C 77 39.700 40.199 -0.499 2
1 1036 . 1 1 A 77 77 ILE N N 77 108.200 111.889 -3.689 2
1 1037 . 1 1 A 78 78 GLY H H 78 7.390 7.438 -0.048 2
1 1038 . 1 1 A 78 78 GLY HA2 H 78 4.730 4.125 0.605 2
1 1039 . 1 1 A 78 78 GLY HA3 H 78 3.970 4.140 -0.170 2
1 1040 . 1 1 A 78 78 GLY C C 78 175.800 174.933 0.867 2
1 1041 . 1 1 A 78 78 GLY CA C 78 44.900 44.657 0.243 2
1 1042 . 1 1 A 78 78 GLY N N 78 112.200 109.879 2.321 2
1 1043 . 1 1 A 79 79 ILE H H 79 9.030 8.877 0.153 2
1 1044 . 1 1 A 79 79 ILE HA H 79 4.080 4.023 0.057 2
1 1054 . 1 1 A 79 79 ILE C C 79 174.700 177.865 -3.166 2
1 1055 . 1 1 A 79 79 ILE CA C 79 62.900 63.295 -0.396 2
1 1056 . 1 1 A 79 79 ILE CB C 79 38.600 38.065 0.535 2
1 1060 . 1 1 A 79 79 ILE N N 79 125.700 121.966 3.734 2
1 1061 . 1 1 A 80 80 GLU H H 80 9.480 8.407 1.073 2
1 1062 . 1 1 A 80 80 GLU HA H 80 4.070 4.024 0.046 2
1 1067 . 1 1 A 80 80 GLU C C 80 179.200 179.535 -0.335 2
1 1068 . 1 1 A 80 80 GLU CA C 80 59.700 59.846 -0.146 2
1 1069 . 1 1 A 80 80 GLU CB C 80 28.100 29.357 -1.257 2
1 1071 . 1 1 A 80 80 GLU N N 80 122.400 121.975 0.425 2
1 1072 . 1 1 A 81 81 ASN H H 81 7.570 8.123 -0.553 2
1 1073 . 1 1 A 81 81 ASN HA H 81 4.580 4.558 0.022 2
1 1078 . 1 1 A 81 81 ASN C C 81 177.600 177.903 -0.303 2
1 1079 . 1 1 A 81 81 ASN CA C 81 55.600 56.250 -0.650 2
1 1080 . 1 1 A 81 81 ASN CB C 81 37.900 38.824 -0.924 2
1 1081 . 1 1 A 81 81 ASN N N 81 117.000 117.979 -0.979 2
1 1083 . 1 1 A 82 82 VAL H H 82 8.180 8.029 0.151 2
1 1084 . 1 1 A 82 82 VAL HA H 82 3.590 3.516 0.074 2
1 1092 . 1 1 A 82 82 VAL C C 82 176.900 177.805 -0.905 2
1 1093 . 1 1 A 82 82 VAL CA C 82 66.800 66.668 0.132 2
1 1094 . 1 1 A 82 82 VAL CB C 82 31.100 31.646 -0.546 2
1 1097 . 1 1 A 82 82 VAL N N 82 120.900 120.334 0.566 2
1 1098 . 1 1 A 83 83 ASN H H 83 8.440 8.760 -0.320 2
1 1099 . 1 1 A 83 83 ASN HA H 83 4.440 4.435 0.005 2
1 1104 . 1 1 A 83 83 ASN C C 83 177.700 177.904 -0.204 2
1 1105 . 1 1 A 83 83 ASN CA C 83 56.000 56.554 -0.554 2
1 1106 . 1 1 A 83 83 ASN CB C 83 37.000 38.230 -1.230 2
1 1107 . 1 1 A 83 83 ASN N N 83 120.500 118.848 1.652 2
1 1109 . 1 1 A 84 84 GLN H H 84 7.550 7.529 0.021 2
1 1110 . 1 1 A 84 84 GLN HA H 84 4.050 4.106 -0.056 2
1 1117 . 1 1 A 84 84 GLN C C 84 179.000 178.654 0.346 2
1 1118 . 1 1 A 84 84 GLN CA C 84 58.900 58.679 0.221 2
1 1119 . 1 1 A 84 84 GLN CB C 84 28.300 28.189 0.111 2
1 1121 . 1 1 A 84 84 GLN N N 84 116.900 119.422 -2.522 2
1 1123 . 1 1 A 85 85 LEU H H 85 7.990 8.147 -0.157 2
1 1124 . 1 1 A 85 85 LEU HA H 85 4.080 4.123 -0.043 2
1 1134 . 1 1 A 85 85 LEU C C 85 180.400 179.423 0.977 2
1 1135 . 1 1 A 85 85 LEU CA C 85 58.200 58.070 0.130 2
1 1136 . 1 1 A 85 85 LEU CB C 85 41.700 41.510 0.190 2
1 1140 . 1 1 A 85 85 LEU N N 85 121.300 119.276 2.023 2
1 1141 . 1 1 A 86 86 ILE H H 86 8.630 8.435 0.195 2
1 1142 . 1 1 A 86 86 ILE HA H 86 3.560 3.699 -0.139 2
1 1152 . 1 1 A 86 86 ILE C C 86 177.700 178.609 -0.909 2
1 1153 . 1 1 A 86 86 ILE CA C 86 66.600 65.019 1.581 2
1 1154 . 1 1 A 86 86 ILE CB C 86 37.800 37.042 0.758 2
1 1158 . 1 1 A 86 86 ILE N N 86 122.000 120.479 1.521 2
1 1159 . 1 1 A 87 87 LEU H H 87 8.200 8.034 0.166 2
1 1160 . 1 1 A 87 87 LEU HA H 87 4.010 4.101 -0.091 2
1 1170 . 1 1 A 87 87 LEU C C 87 179.000 179.218 -0.218 2
1 1171 . 1 1 A 87 87 LEU CA C 87 58.200 58.111 0.089 2
1 1172 . 1 1 A 87 87 LEU CB C 87 40.800 41.828 -1.028 2
1 1176 . 1 1 A 87 87 LEU N N 87 118.300 119.101 -0.801 2
1 1177 . 1 1 A 88 88 THR H H 88 8.420 8.262 0.158 2
1 1178 . 1 1 A 88 88 THR HA H 88 4.000 4.051 -0.051 2
1 1183 . 1 1 A 88 88 THR C C 88 176.300 177.053 -0.753 2
1 1184 . 1 1 A 88 88 THR CA C 88 66.500 66.142 0.358 2
1 1185 . 1 1 A 88 88 THR CB C 88 69.400 68.307 1.093 2
1 1187 . 1 1 A 88 88 THR N N 88 112.700 115.941 -3.241 2
1 1188 . 1 1 A 89 89 THR H H 89 7.690 8.036 -0.346 2
1 1189 . 1 1 A 89 89 THR HA H 89 4.040 3.977 0.063 2
1 1194 . 1 1 A 89 89 THR C C 89 175.500 176.748 -1.248 2
1 1195 . 1 1 A 89 89 THR CA C 89 67.100 66.890 0.210 2
1 1196 . 1 1 A 89 89 THR CB C 89 68.500 68.165 0.335 2
1 1198 . 1 1 A 89 89 THR N N 89 116.600 117.463 -0.863 2
1 1199 . 1 1 A 90 90 ILE H H 90 8.330 7.521 0.809 2
1 1200 . 1 1 A 90 90 ILE HA H 90 4.420 4.260 0.160 2
1 1210 . 1 1 A 90 90 ILE C C 90 175.700 176.467 -0.767 2
1 1211 . 1 1 A 90 90 ILE CA C 90 62.000 63.404 -1.404 2
1 1212 . 1 1 A 90 90 ILE CB C 90 38.500 37.881 0.619 2
1 1216 . 1 1 A 90 90 ILE N N 90 125.300 114.445 10.855 2
1 1217 . 1 1 A 91 91 LYS H H 91 7.450 7.671 -0.221 2
1 1218 . 1 1 A 91 91 LYS HA H 91 3.970 4.384 -0.414 2
1 1227 . 1 1 A 91 91 LYS CA C 91 57.200 55.981 1.219 2
1 1228 . 1 1 A 91 91 LYS CB C 91 32.900 32.648 0.252 2
stop_
save_