data_15776_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15776
_Entry.PDB_ID 2K3R
_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 18 18 ILE HA H 18 3.610 3.743 -0.133 1
1 11 . 1 1 1 A 18 18 ILE C C 18 176.800 177.596 -0.796 1
1 12 . 1 1 1 A 18 18 ILE CA C 18 66.700 65.633 1.067 1
1 13 . 1 1 1 A 18 18 ILE CB C 18 38.600 37.478 1.122 1
1 17 . 1 1 1 A 19 19 ASP H H 19 8.050 7.878 0.172 1
1 18 . 1 1 1 A 19 19 ASP HA H 19 4.580 4.362 0.218 1
1 21 . 1 1 1 A 19 19 ASP CA C 19 58.200 57.988 0.212 1
1 22 . 1 1 1 A 19 19 ASP CB C 19 42.500 41.699 0.801 1
1 23 . 1 1 1 A 19 19 ASP N N 19 119.100 120.596 -1.496 1
1 24 . 1 1 1 A 20 20 ILE H H 20 8.240 7.810 0.430 1
1 25 . 1 1 1 A 20 20 ILE HA H 20 3.730 3.746 -0.016 1
1 35 . 1 1 1 A 20 20 ILE CA C 20 65.000 65.485 -0.485 1
1 36 . 1 1 1 A 20 20 ILE CB C 20 38.300 37.812 0.488 1
1 40 . 1 1 1 A 20 20 ILE N N 20 120.400 119.871 0.529 1
1 41 . 1 1 1 A 21 21 LEU H H 21 7.870 8.153 -0.283 1
1 42 . 1 1 1 A 21 21 LEU HA H 21 4.440 3.996 0.444 1
1 49 . 1 1 1 A 21 21 LEU C C 21 178.700 179.349 -0.649 1
1 50 . 1 1 1 A 21 21 LEU CA C 21 59.800 58.166 1.634 1
1 51 . 1 1 1 A 21 21 LEU CB C 21 42.200 41.932 0.268 1
1 54 . 1 1 1 A 21 21 LEU N N 21 121.100 119.014 2.086 1
1 55 . 1 1 1 A 22 22 PHE H H 22 7.820 8.943 -1.123 1
1 56 . 1 1 1 A 22 22 PHE HA H 22 3.480 4.287 -0.807 1
1 63 . 1 1 1 A 22 22 PHE C C 22 177.300 177.546 -0.246 1
1 64 . 1 1 1 A 22 22 PHE CA C 22 63.100 62.059 1.041 1
1 65 . 1 1 1 A 22 22 PHE CB C 22 36.400 39.262 -2.862 1
1 70 . 1 1 1 A 22 22 PHE N N 22 116.900 119.714 -2.814 1
1 71 . 1 1 1 A 23 23 SER H H 23 7.940 8.236 -0.296 1
1 72 . 1 1 1 A 23 23 SER HA H 23 4.520 4.134 0.386 1
1 75 . 1 1 1 A 23 23 SER C C 23 177.300 177.530 -0.230 1
1 76 . 1 1 1 A 23 23 SER CA C 23 63.500 61.543 1.957 1
1 77 . 1 1 1 A 23 23 SER CB C 23 62.900 62.959 -0.059 1
1 78 . 1 1 1 A 23 23 SER N N 23 114.400 114.467 -0.067 1
1 79 . 1 1 1 A 24 24 LEU H H 24 8.050 8.114 -0.064 1
1 80 . 1 1 1 A 24 24 LEU HA H 24 3.820 3.968 -0.148 1
1 89 . 1 1 1 A 24 24 LEU C C 24 178.200 178.846 -0.646 1
1 90 . 1 1 1 A 24 24 LEU CA C 24 58.100 57.426 0.674 1
1 91 . 1 1 1 A 24 24 LEU CB C 24 40.700 41.470 -0.770 1
1 95 . 1 1 1 A 24 24 LEU N N 24 124.700 120.976 3.724 1
1 96 . 1 1 1 A 25 25 ALA H H 25 7.590 8.823 -1.233 1
1 97 . 1 1 1 A 25 25 ALA HA H 25 3.820 3.979 -0.159 1
1 101 . 1 1 1 A 25 25 ALA C C 25 177.700 179.501 -1.801 1
1 102 . 1 1 1 A 25 25 ALA CA C 25 55.800 55.462 0.338 1
1 103 . 1 1 1 A 25 25 ALA CB C 25 18.400 18.357 0.043 1
1 104 . 1 1 1 A 25 25 ALA N N 25 122.400 122.002 0.398 1
1 105 . 1 1 1 A 26 26 GLU H H 26 7.690 7.979 -0.289 1
1 106 . 1 1 1 A 26 26 GLU HA H 26 4.270 3.631 0.639 1
1 111 . 1 1 1 A 26 26 GLU C C 26 178.600 178.538 0.062 1
1 112 . 1 1 1 A 26 26 GLU CA C 26 60.000 58.937 1.063 1
1 113 . 1 1 1 A 26 26 GLU CB C 26 31.100 29.134 1.966 1
1 115 . 1 1 1 A 26 26 GLU N N 26 116.000 119.541 -3.541 1
1 116 . 1 1 1 A 27 27 ARG H H 27 7.670 7.630 0.040 1
1 117 . 1 1 1 A 27 27 ARG HA H 27 4.190 4.098 0.092 1
1 122 . 1 1 1 A 27 27 ARG C C 27 178.400 178.284 0.116 1
1 123 . 1 1 1 A 27 27 ARG CA C 27 58.800 58.620 0.180 1
1 124 . 1 1 1 A 27 27 ARG CB C 27 30.700 29.902 0.798 1
1 127 . 1 1 1 A 27 27 ARG N N 27 116.700 120.440 -3.740 1
1 128 . 1 1 1 A 28 28 VAL H H 28 8.230 7.808 0.422 1
1 129 . 1 1 1 A 28 28 VAL HA H 28 4.530 3.823 0.707 1
1 137 . 1 1 1 A 28 28 VAL C C 28 176.500 178.110 -1.610 1
1 138 . 1 1 1 A 28 28 VAL CA C 28 62.600 65.058 -2.458 1
1 139 . 1 1 1 A 28 28 VAL CB C 28 33.000 31.353 1.647 1
1 142 . 1 1 1 A 28 28 VAL N N 28 112.600 118.505 -5.905 1
1 143 . 1 1 1 A 29 29 PHE H H 29 8.020 8.121 -0.101 1
1 144 . 1 1 1 A 29 29 PHE HA H 29 3.960 4.250 -0.290 1
1 151 . 1 1 1 A 29 29 PHE CA C 29 64.500 62.719 1.781 1
1 152 . 1 1 1 A 29 29 PHE CB C 29 37.300 36.789 0.511 1
1 157 . 1 1 1 A 29 29 PHE N N 29 124.600 122.481 2.119 1
1 158 . 1 1 1 A 30 30 PRO HA H 30 4.150 4.045 0.105 1
1 163 . 1 1 1 A 30 30 PRO C C 30 176.600 178.679 -2.079 1
1 164 . 1 1 1 A 30 30 PRO CA C 30 65.600 65.746 -0.146 1
1 165 . 1 1 1 A 30 30 PRO CB C 30 31.400 30.786 0.614 1
1 168 . 1 1 1 A 31 31 TYR H H 31 7.540 7.974 -0.434 1
1 169 . 1 1 1 A 31 31 TYR HA H 31 4.600 4.207 0.393 1
1 176 . 1 1 1 A 31 31 TYR C C 31 176.500 175.256 1.244 1
1 177 . 1 1 1 A 31 31 TYR CA C 31 58.300 61.621 -3.321 1
1 178 . 1 1 1 A 31 31 TYR CB C 31 39.400 39.205 0.195 1
1 183 . 1 1 1 A 31 31 TYR N N 31 113.500 119.243 -5.743 1
1 184 . 1 1 1 A 32 32 SER H H 32 8.210 8.570 -0.360 1
1 185 . 1 1 1 A 32 32 SER HA H 32 4.770 4.786 -0.016 1
1 188 . 1 1 1 A 32 32 SER CA C 32 55.700 55.851 -0.151 1
1 189 . 1 1 1 A 32 32 SER CB C 32 63.200 65.754 -2.554 1
1 190 . 1 1 1 A 32 32 SER N N 32 111.700 112.189 -0.489 1
1 191 . 1 1 1 A 33 33 PRO HA H 33 4.250 4.438 -0.188 1
1 195 . 1 1 1 A 33 33 PRO C C 33 179.000 177.899 1.101 1
1 196 . 1 1 1 A 33 33 PRO CA C 33 65.400 65.382 0.018 1
1 197 . 1 1 1 A 33 33 PRO CB C 33 33.000 31.757 1.243 1
1 200 . 1 1 1 A 34 34 GLU H H 34 8.390 8.031 0.359 1
1 201 . 1 1 1 A 34 34 GLU HA H 34 4.130 4.198 -0.068 1
1 204 . 1 1 1 A 34 34 GLU C C 34 178.700 179.251 -0.551 1
1 205 . 1 1 1 A 34 34 GLU CA C 34 59.900 59.645 0.255 1
1 206 . 1 1 1 A 34 34 GLU CB C 34 30.000 29.490 0.510 1
1 208 . 1 1 1 A 34 34 GLU N N 34 118.500 118.406 0.094 1
1 209 . 1 1 1 A 35 35 LEU H H 35 7.970 8.445 -0.475 1
1 210 . 1 1 1 A 35 35 LEU HA H 35 4.070 4.049 0.021 1
1 217 . 1 1 1 A 35 35 LEU CA C 35 57.400 58.109 -0.709 1
1 218 . 1 1 1 A 35 35 LEU CB C 35 42.200 41.881 0.319 1
1 221 . 1 1 1 A 35 35 LEU N N 35 122.000 121.044 0.956 1
1 222 . 1 1 1 A 36 36 ALA H H 36 7.860 8.513 -0.653 1
1 223 . 1 1 1 A 36 36 ALA HA H 36 4.040 4.274 -0.234 1
1 227 . 1 1 1 A 36 36 ALA C C 36 178.600 179.194 -0.594 1
1 228 . 1 1 1 A 36 36 ALA CA C 36 56.400 55.516 0.884 1
1 229 . 1 1 1 A 36 36 ALA CB C 36 19.500 18.693 0.807 1
1 230 . 1 1 1 A 36 36 ALA N N 36 121.000 122.046 -1.046 1
1 231 . 1 1 1 A 37 37 LYS H H 37 7.910 8.287 -0.377 1
1 232 . 1 1 1 A 37 37 LYS HA H 37 4.300 4.047 0.253 1
1 237 . 1 1 1 A 37 37 LYS C C 37 177.800 178.941 -1.141 1
1 238 . 1 1 1 A 37 37 LYS CA C 37 59.700 59.839 -0.139 1
1 239 . 1 1 1 A 37 37 LYS CB C 37 32.400 32.766 -0.366 1
1 243 . 1 1 1 A 37 37 LYS N N 37 117.700 118.402 -0.702 1
1 244 . 1 1 1 A 38 38 ARG H H 38 7.640 7.474 0.166 1
1 245 . 1 1 1 A 38 38 ARG HA H 38 4.090 4.000 0.090 1
1 251 . 1 1 1 A 38 38 ARG C C 38 179.600 178.948 0.652 1
1 252 . 1 1 1 A 38 38 ARG CA C 38 59.300 59.649 -0.349 1
1 253 . 1 1 1 A 38 38 ARG CB C 38 30.000 29.631 0.369 1
1 256 . 1 1 1 A 38 38 ARG N N 38 118.200 118.544 -0.344 1
1 257 . 1 1 1 A 39 39 TYR H H 39 7.860 8.104 -0.244 1
1 258 . 1 1 1 A 39 39 TYR HA H 39 4.290 4.385 -0.095 1
1 264 . 1 1 1 A 39 39 TYR C C 39 177.800 178.516 -0.716 1
1 265 . 1 1 1 A 39 39 TYR CA C 39 62.500 60.748 1.752 1
1 266 . 1 1 1 A 39 39 TYR CB C 39 38.300 37.782 0.518 1
1 271 . 1 1 1 A 39 39 TYR N N 39 119.200 119.840 -0.640 1
1 272 . 1 1 1 A 40 40 VAL H H 40 7.960 9.171 -1.211 1
1 273 . 1 1 1 A 40 40 VAL HA H 40 2.750 3.588 -0.838 1
1 281 . 1 1 1 A 40 40 VAL C C 40 177.800 178.073 -0.273 1
1 282 . 1 1 1 A 40 40 VAL CA C 40 67.300 66.530 0.770 1
1 283 . 1 1 1 A 40 40 VAL CB C 40 31.400 31.405 -0.005 1
1 286 . 1 1 1 A 40 40 VAL N N 40 120.800 119.936 0.864 1
1 287 . 1 1 1 A 41 41 GLU H H 41 8.660 8.094 0.566 1
1 288 . 1 1 1 A 41 41 GLU HA H 41 3.680 3.911 -0.231 1
1 291 . 1 1 1 A 41 41 GLU C C 41 179.900 178.498 1.402 1
1 292 . 1 1 1 A 41 41 GLU CA C 41 60.500 59.045 1.455 1
1 293 . 1 1 1 A 41 41 GLU CB C 41 29.400 29.193 0.207 1
1 295 . 1 1 1 A 41 41 GLU N N 41 117.000 120.463 -3.463 1
1 296 . 1 1 1 A 42 42 LEU H H 42 7.960 7.665 0.295 1
1 297 . 1 1 1 A 42 42 LEU HA H 42 4.130 4.094 0.036 1
1 306 . 1 1 1 A 42 42 LEU C C 42 178.300 178.319 -0.019 1
1 307 . 1 1 1 A 42 42 LEU CA C 42 58.000 57.775 0.225 1
1 308 . 1 1 1 A 42 42 LEU CB C 42 42.300 41.385 0.915 1
1 312 . 1 1 1 A 42 42 LEU N N 42 120.300 121.324 -1.024 1
1 313 . 1 1 1 A 43 43 ALA H H 43 8.040 7.944 0.096 1
1 314 . 1 1 1 A 43 43 ALA HA H 43 3.740 3.968 -0.228 1
1 318 . 1 1 1 A 43 43 ALA C C 43 179.400 179.765 -0.365 1
1 319 . 1 1 1 A 43 43 ALA CA C 43 55.700 55.172 0.528 1
1 320 . 1 1 1 A 43 43 ALA CB C 43 18.500 18.448 0.052 1
1 321 . 1 1 1 A 43 43 ALA N N 43 123.600 120.962 2.638 1
1 322 . 1 1 1 A 44 44 LEU H H 44 8.340 8.166 0.174 1
1 323 . 1 1 1 A 44 44 LEU HA H 44 4.070 3.612 0.458 1
1 333 . 1 1 1 A 44 44 LEU C C 44 180.000 179.272 0.728 1
1 334 . 1 1 1 A 44 44 LEU CA C 44 57.500 57.453 0.047 1
1 335 . 1 1 1 A 44 44 LEU CB C 44 40.800 41.527 -0.727 1
1 339 . 1 1 1 A 44 44 LEU N N 44 116.800 118.428 -1.628 1
1 340 . 1 1 1 A 45 45 LEU H H 45 7.860 8.192 -0.332 1
1 341 . 1 1 1 A 45 45 LEU HA H 45 4.170 3.849 0.321 1
1 351 . 1 1 1 A 45 45 LEU C C 45 179.600 178.568 1.032 1
1 352 . 1 1 1 A 45 45 LEU CA C 45 58.400 57.990 0.410 1
1 353 . 1 1 1 A 45 45 LEU CB C 45 42.200 41.137 1.063 1
1 357 . 1 1 1 A 45 45 LEU N N 45 122.600 120.153 2.447 1
1 358 . 1 1 1 A 46 46 VAL H H 46 8.070 8.134 -0.064 1
1 359 . 1 1 1 A 46 46 VAL HA H 46 3.610 3.462 0.148 1
1 367 . 1 1 1 A 46 46 VAL CA C 46 66.800 66.544 0.256 1
1 368 . 1 1 1 A 46 46 VAL CB C 46 31.600 31.144 0.456 1
1 370 . 1 1 1 A 46 46 VAL N N 46 120.100 118.701 1.399 1
1 371 . 1 1 1 A 47 47 GLN H H 47 8.360 7.929 0.431 1
1 372 . 1 1 1 A 47 47 GLN HA H 47 3.860 3.961 -0.101 1
1 378 . 1 1 1 A 47 47 GLN C C 47 178.000 178.106 -0.106 1
1 379 . 1 1 1 A 47 47 GLN CA C 47 60.200 59.253 0.947 1
1 380 . 1 1 1 A 47 47 GLN CB C 47 27.800 28.132 -0.332 1
1 382 . 1 1 1 A 47 47 GLN N N 47 120.000 119.416 0.584 1
1 384 . 1 1 1 A 48 48 GLN H H 48 8.110 8.021 0.089 1
1 385 . 1 1 1 A 48 48 GLN HA H 48 4.080 4.020 0.060 1
1 392 . 1 1 1 A 48 48 GLN C C 48 178.500 178.197 0.303 1
1 393 . 1 1 1 A 48 48 GLN CA C 48 58.900 58.750 0.150 1
1 394 . 1 1 1 A 48 48 GLN CB C 48 29.400 28.320 1.080 1
1 396 . 1 1 1 A 48 48 GLN N N 48 117.600 117.320 0.280 1
1 398 . 1 1 1 A 49 49 LYS H H 49 8.110 7.890 0.220 1
1 399 . 1 1 1 A 49 49 LYS HA H 49 4.190 4.001 0.189 1
1 405 . 1 1 1 A 49 49 LYS C C 49 177.800 179.277 -1.477 1
1 406 . 1 1 1 A 49 49 LYS CA C 49 58.600 59.240 -0.640 1
1 407 . 1 1 1 A 49 49 LYS CB C 49 33.000 32.125 0.875 1
1 411 . 1 1 1 A 49 49 LYS N N 49 118.100 119.393 -1.293 1
1 412 . 1 1 1 A 50 50 ALA H H 50 8.240 7.976 0.264 1
1 413 . 1 1 1 A 50 50 ALA HA H 50 4.460 4.303 0.157 1
1 417 . 1 1 1 A 50 50 ALA C C 50 176.700 177.233 -0.533 1
1 418 . 1 1 1 A 50 50 ALA CA C 50 52.700 52.632 0.068 1
1 419 . 1 1 1 A 50 50 ALA CB C 50 21.100 19.355 1.745 1
1 420 . 1 1 1 A 50 50 ALA N N 50 119.000 119.466 -0.466 1
1 421 . 1 1 1 A 51 51 LYS H H 51 8.000 7.981 0.019 1
1 422 . 1 1 1 A 51 51 LYS HA H 51 4.030 3.886 0.144 1
1 429 . 1 1 1 A 51 51 LYS C C 51 175.800 175.358 0.442 1
1 430 . 1 1 1 A 51 51 LYS CA C 51 57.500 57.443 0.057 1
1 431 . 1 1 1 A 51 51 LYS CB C 51 29.500 30.419 -0.919 1
1 435 . 1 1 1 A 51 51 LYS N N 51 114.500 117.316 -2.816 1
1 436 . 1 1 1 A 52 52 VAL H H 52 7.000 7.289 -0.289 1
1 437 . 1 1 1 A 52 52 VAL HA H 52 4.570 4.769 -0.199 1
1 445 . 1 1 1 A 52 52 VAL C C 52 175.000 174.307 0.693 1
1 446 . 1 1 1 A 52 52 VAL CA C 52 59.600 60.017 -0.417 1
1 447 . 1 1 1 A 52 52 VAL CB C 52 34.900 34.512 0.388 1
1 450 . 1 1 1 A 52 52 VAL N N 52 111.600 114.766 -3.166 1
1 451 . 1 1 1 A 53 53 LYS H H 53 8.150 8.877 -0.727 1
1 452 . 1 1 1 A 53 53 LYS HA H 53 4.510 4.779 -0.269 1
1 454 . 1 1 1 A 53 53 LYS C C 53 176.800 176.330 0.470 1
1 455 . 1 1 1 A 53 53 LYS CA C 53 55.700 55.619 0.081 1
1 456 . 1 1 1 A 53 53 LYS CB C 53 34.000 33.696 0.304 1
1 457 . 1 1 1 A 53 53 LYS N N 53 120.800 124.714 -3.914 1
1 458 . 1 1 1 A 54 54 ILE H H 54 8.370 8.695 -0.325 1
1 459 . 1 1 1 A 54 54 ILE HA H 54 4.530 4.721 -0.191 1
1 469 . 1 1 1 A 54 54 ILE CA C 54 58.700 57.130 1.570 1
1 470 . 1 1 1 A 54 54 ILE CB C 54 38.400 39.276 -0.876 1
1 474 . 1 1 1 A 54 54 ILE N N 54 122.500 123.380 -0.880 1
1 475 . 1 1 1 A 57 57 LYS HA H 57 3.780 3.850 -0.070 1
1 484 . 1 1 1 A 57 57 LYS C C 57 176.300 178.008 -1.708 1
1 485 . 1 1 1 A 57 57 LYS CA C 57 59.000 58.833 0.167 1
1 486 . 1 1 1 A 57 57 LYS CB C 57 32.300 31.762 0.538 1
1 490 . 1 1 1 A 58 58 TRP H H 58 7.250 7.393 -0.143 1
1 491 . 1 1 1 A 58 58 TRP HA H 58 4.850 4.520 0.330 1
1 500 . 1 1 1 A 58 58 TRP C C 58 176.800 178.614 -1.814 1
1 501 . 1 1 1 A 58 58 TRP CA C 58 55.400 58.667 -3.267 1
1 502 . 1 1 1 A 58 58 TRP CB C 58 31.300 30.960 0.340 1
1 508 . 1 1 1 A 58 58 TRP N N 58 116.300 118.269 -1.969 1
1 510 . 1 1 1 A 59 59 LYS H H 59 7.310 8.271 -0.961 1
1 511 . 1 1 1 A 59 59 LYS HA H 59 3.960 4.083 -0.123 1
1 517 . 1 1 1 A 59 59 LYS CA C 59 60.600 60.083 0.517 1
1 518 . 1 1 1 A 59 59 LYS CB C 59 33.500 32.400 1.100 1
1 522 . 1 1 1 A 59 59 LYS N N 59 118.600 121.840 -3.240 1
1 523 . 1 1 1 A 60 60 ARG HA H 60 4.540 4.439 0.101 1
1 528 . 1 1 1 A 60 60 ARG C C 60 177.200 177.133 0.067 1
1 529 . 1 1 1 A 60 60 ARG CA C 60 55.400 56.400 -1.000 1
1 530 . 1 1 1 A 60 60 ARG CB C 60 30.400 30.497 -0.097 1
1 533 . 1 1 1 A 61 61 ARG H H 61 7.620 7.534 0.086 1
1 534 . 1 1 1 A 61 61 ARG HA H 61 4.250 4.408 -0.158 1
1 537 . 1 1 1 A 61 61 ARG C C 61 172.300 174.563 -2.263 1
1 538 . 1 1 1 A 61 61 ARG CA C 61 54.400 55.382 -0.982 1
1 539 . 1 1 1 A 61 61 ARG CB C 61 27.900 30.136 -2.236 1
1 541 . 1 1 1 A 61 61 ARG N N 61 116.000 117.803 -1.803 1
1 542 . 1 1 1 A 62 62 TYR H H 62 6.980 7.563 -0.583 1
1 543 . 1 1 1 A 62 62 TYR HA H 62 5.860 5.619 0.241 1
1 550 . 1 1 1 A 62 62 TYR C C 62 173.100 172.597 0.503 1
1 551 . 1 1 1 A 62 62 TYR CA C 62 55.000 56.149 -1.149 1
1 552 . 1 1 1 A 62 62 TYR CB C 62 43.000 40.830 2.170 1
1 557 . 1 1 1 A 62 62 TYR N N 62 112.300 116.461 -4.161 1
1 558 . 1 1 1 A 63 63 CYS H H 63 9.220 8.598 0.622 1
1 559 . 1 1 1 A 63 63 CYS HA H 63 4.280 4.528 -0.248 1
1 562 . 1 1 1 A 63 63 CYS C C 63 178.000 175.689 2.311 1
1 563 . 1 1 1 A 63 63 CYS CA C 63 59.900 58.272 1.628 1
1 564 . 1 1 1 A 63 63 CYS CB C 63 32.300 28.920 3.380 1
1 565 . 1 1 1 A 63 63 CYS N N 63 124.100 120.674 3.426 1
1 566 . 1 1 1 A 64 64 LYS H H 64 7.820 8.821 -1.001 1
1 567 . 1 1 1 A 64 64 LYS HA H 64 4.240 3.702 0.538 1
1 571 . 1 1 1 A 64 64 LYS C C 64 175.400 177.715 -2.315 1
1 572 . 1 1 1 A 64 64 LYS CA C 64 59.500 59.564 -0.064 1
1 573 . 1 1 1 A 64 64 LYS CB C 64 33.600 32.340 1.260 1
1 577 . 1 1 1 A 64 64 LYS N N 64 129.300 126.183 3.117 1
1 578 . 1 1 1 A 65 65 LYS H H 65 9.270 7.892 1.378 1
1 579 . 1 1 1 A 65 65 LYS HA H 65 4.250 4.498 -0.248 1
1 586 . 1 1 1 A 65 65 LYS C C 65 176.300 177.824 -1.524 1
1 587 . 1 1 1 A 65 65 LYS CA C 65 58.500 56.980 1.520 1
1 588 . 1 1 1 A 65 65 LYS CB C 65 33.700 33.959 -0.259 1
1 592 . 1 1 1 A 65 65 LYS N N 65 122.500 116.164 6.336 1
1 593 . 1 1 1 A 66 66 CYS H H 66 9.190 7.931 1.259 1
1 594 . 1 1 1 A 66 66 CYS HA H 66 4.560 4.481 0.079 1
1 597 . 1 1 1 A 66 66 CYS C C 66 176.200 175.095 1.105 1
1 598 . 1 1 1 A 66 66 CYS CA C 66 59.700 63.406 -3.706 1
1 599 . 1 1 1 A 66 66 CYS CB C 66 32.200 27.972 4.228 1
1 600 . 1 1 1 A 66 66 CYS N N 66 121.200 118.269 2.931 1
1 601 . 1 1 1 A 67 67 HIS H H 67 7.700 7.705 -0.005 1
1 602 . 1 1 1 A 67 67 HIS HA H 67 4.850 4.348 0.502 1
1 604 . 1 1 1 A 67 67 HIS C C 67 171.000 173.894 -2.894 1
1 605 . 1 1 1 A 67 67 HIS CA C 67 56.200 57.093 -0.893 1
1 606 . 1 1 1 A 67 67 HIS CB C 67 26.800 26.743 0.057 1
1 607 . 1 1 1 A 67 67 HIS N N 67 114.200 115.979 -1.779 1
1 608 . 1 1 1 A 68 68 ALA H H 68 8.720 7.746 0.974 1
1 609 . 1 1 1 A 68 68 ALA HA H 68 4.230 5.091 -0.861 1
1 613 . 1 1 1 A 68 68 ALA C C 68 177.800 176.217 1.583 1
1 614 . 1 1 1 A 68 68 ALA CA C 68 53.800 50.357 3.443 1
1 615 . 1 1 1 A 68 68 ALA CB C 68 19.800 22.965 -3.165 1
1 616 . 1 1 1 A 68 68 ALA N N 68 119.600 119.592 0.008 1
1 617 . 1 1 1 A 69 69 PHE H H 69 8.500 8.967 -0.467 1
1 618 . 1 1 1 A 69 69 PHE HA H 69 4.590 5.112 -0.522 1
1 626 . 1 1 1 A 69 69 PHE C C 69 174.200 174.795 -0.595 1
1 627 . 1 1 1 A 69 69 PHE CA C 69 58.300 59.425 -1.125 1
1 628 . 1 1 1 A 69 69 PHE CB C 69 40.900 39.014 1.886 1
1 634 . 1 1 1 A 69 69 PHE N N 69 122.200 121.888 0.312 1
1 635 . 1 1 1 A 70 70 LEU H H 70 7.550 9.187 -1.637 1
1 636 . 1 1 1 A 70 70 LEU HA H 70 4.540 5.188 -0.648 1
1 645 . 1 1 1 A 70 70 LEU C C 70 176.000 175.815 0.185 1
1 646 . 1 1 1 A 70 70 LEU CA C 70 53.700 53.746 -0.046 1
1 647 . 1 1 1 A 70 70 LEU CB C 70 43.600 41.663 1.937 1
1 651 . 1 1 1 A 70 70 LEU N N 70 124.700 127.593 -2.893 1
1 652 . 1 1 1 A 71 71 VAL H H 71 9.700 8.870 0.830 1
1 653 . 1 1 1 A 71 71 VAL HA H 71 4.140 4.661 -0.521 1
1 661 . 1 1 1 A 71 71 VAL CA C 71 59.600 59.148 0.452 1
1 662 . 1 1 1 A 71 71 VAL CB C 71 34.000 36.144 -2.144 1
1 665 . 1 1 1 A 71 71 VAL N N 71 125.800 124.510 1.290 1
1 666 . 1 1 1 A 72 72 PRO HA H 72 4.170 4.316 -0.146 1
1 673 . 1 1 1 A 72 72 PRO C C 72 176.200 177.343 -1.143 1
1 674 . 1 1 1 A 72 72 PRO CA C 72 64.100 63.671 0.429 1
1 675 . 1 1 1 A 72 72 PRO CB C 72 32.200 31.612 0.588 1
1 678 . 1 1 1 A 73 73 GLY H H 73 8.500 9.238 -0.738 1
1 679 . 1 1 1 A 73 73 GLY HA2 H 73 3.860 3.834 0.026 1
1 680 . 1 1 1 A 73 73 GLY HA3 H 73 4.550 3.834 0.716 1
1 681 . 1 1 1 A 73 73 GLY CA C 73 45.700 45.360 0.340 1
1 682 . 1 1 1 A 73 73 GLY N N 73 112.200 111.260 0.940 1
1 683 . 1 1 1 A 74 74 ILE H H 74 8.360 7.313 1.047 1
1 684 . 1 1 1 A 74 74 ILE HA H 74 4.580 4.050 0.530 1
1 694 . 1 1 1 A 74 74 ILE C C 74 175.700 177.230 -1.530 1
1 695 . 1 1 1 A 74 74 ILE CA C 74 62.700 62.735 -0.035 1
1 696 . 1 1 1 A 74 74 ILE CB C 74 38.400 38.491 -0.091 1
1 700 . 1 1 1 A 74 74 ILE N N 74 120.200 120.029 0.171 1
1 701 . 1 1 1 A 75 75 ASN H H 75 8.470 7.876 0.594 1
1 702 . 1 1 1 A 75 75 ASN HA H 75 4.970 4.708 0.262 1
1 706 . 1 1 1 A 75 75 ASN C C 75 172.900 174.467 -1.567 1
1 707 . 1 1 1 A 75 75 ASN CA C 75 52.600 52.727 -0.127 1
1 708 . 1 1 1 A 75 75 ASN CB C 75 38.600 38.379 0.221 1
1 709 . 1 1 1 A 75 75 ASN N N 75 116.400 115.232 1.168 1
1 711 . 1 1 1 A 76 76 ALA H H 76 7.250 7.588 -0.338 1
1 712 . 1 1 1 A 76 76 ALA HA H 76 5.510 5.326 0.184 1
1 716 . 1 1 1 A 76 76 ALA C C 76 176.200 175.031 1.169 1
1 717 . 1 1 1 A 76 76 ALA CA C 76 50.400 51.513 -1.113 1
1 718 . 1 1 1 A 76 76 ALA CB C 76 23.200 22.948 0.252 1
1 719 . 1 1 1 A 76 76 ALA N N 76 117.400 119.742 -2.342 1
1 720 . 1 1 1 A 77 77 ARG H H 77 8.850 8.997 -0.147 1
1 721 . 1 1 1 A 77 77 ARG HA H 77 4.950 5.149 -0.199 1
1 728 . 1 1 1 A 77 77 ARG CA C 77 54.800 54.528 0.272 1
1 729 . 1 1 1 A 77 77 ARG CB C 77 33.700 34.040 -0.340 1
1 732 . 1 1 1 A 77 77 ARG N N 77 123.000 121.676 1.324 1
1 733 . 1 1 1 A 78 78 VAL H H 78 8.920 8.948 -0.028 1
1 734 . 1 1 1 A 78 78 VAL HA H 78 4.730 5.409 -0.679 1
1 742 . 1 1 1 A 78 78 VAL CA C 78 61.400 59.576 1.824 1
1 743 . 1 1 1 A 78 78 VAL CB C 78 34.400 34.725 -0.325 1
1 746 . 1 1 1 A 78 78 VAL N N 78 127.400 123.725 3.675 1
1 747 . 1 1 1 A 79 79 ARG H H 79 9.000 9.228 -0.228 1
1 748 . 1 1 1 A 79 79 ARG HA H 79 4.750 5.052 -0.302 1
1 754 . 1 1 1 A 79 79 ARG CA C 79 54.400 54.592 -0.192 1
1 755 . 1 1 1 A 79 79 ARG CB C 79 34.300 32.775 1.525 1
1 758 . 1 1 1 A 79 79 ARG N N 79 126.400 129.777 -3.377 1
1 759 . 1 1 1 A 80 80 LEU H H 80 8.480 9.293 -0.813 1
1 760 . 1 1 1 A 80 80 LEU HA H 80 4.690 5.110 -0.420 1
1 770 . 1 1 1 A 80 80 LEU CA C 80 54.600 53.652 0.948 1
1 771 . 1 1 1 A 80 80 LEU CB C 80 43.500 42.837 0.663 1
1 775 . 1 1 1 A 80 80 LEU N N 80 124.700 127.881 -3.181 1
1 776 . 1 1 1 A 81 81 ARG H H 81 8.800 9.085 -0.285 1
1 777 . 1 1 1 A 81 81 ARG HA H 81 4.540 4.886 -0.346 1
1 781 . 1 1 1 A 81 81 ARG CA C 81 54.600 54.394 0.206 1
1 782 . 1 1 1 A 81 81 ARG CB C 81 31.600 33.294 -1.694 1
1 785 . 1 1 1 A 81 81 ARG N N 81 126.100 124.545 1.555 1
1 786 . 1 1 1 A 86 86 PRO HA H 86 4.700 4.752 -0.052 1
1 792 . 1 1 1 A 86 86 PRO C C 86 176.400 175.679 0.721 1
1 793 . 1 1 1 A 86 86 PRO CA C 86 64.000 62.629 1.371 1
1 794 . 1 1 1 A 86 86 PRO CB C 86 32.600 32.503 0.097 1
1 796 . 1 1 1 A 87 87 HIS H H 87 8.560 8.024 0.536 1
1 797 . 1 1 1 A 87 87 HIS HA H 87 5.140 5.088 0.052 1
1 800 . 1 1 1 A 87 87 HIS C C 87 172.600 174.215 -1.615 1
1 801 . 1 1 1 A 87 87 HIS CA C 87 56.000 54.603 1.397 1
1 802 . 1 1 1 A 87 87 HIS CB C 87 32.400 33.746 -1.346 1
1 803 . 1 1 1 A 87 87 HIS N N 87 118.700 120.598 -1.898 1
1 804 . 1 1 1 A 88 88 ILE H H 88 9.250 8.835 0.415 1
1 805 . 1 1 1 A 88 88 ILE HA H 88 4.710 5.155 -0.445 1
1 815 . 1 1 1 A 88 88 ILE CA C 88 60.200 59.194 1.006 1
1 816 . 1 1 1 A 88 88 ILE CB C 88 40.600 41.774 -1.174 1
1 820 . 1 1 1 A 88 88 ILE N N 88 120.600 116.584 4.016 1
1 821 . 1 1 1 A 89 89 VAL H H 89 9.050 9.065 -0.015 1
1 822 . 1 1 1 A 89 89 VAL HA H 89 4.800 5.281 -0.481 1
1 830 . 1 1 1 A 89 89 VAL C C 89 175.000 174.550 0.450 1
1 831 . 1 1 1 A 89 89 VAL CA C 89 61.400 60.008 1.392 1
1 832 . 1 1 1 A 89 89 VAL CB C 89 34.400 34.407 -0.007 1
1 835 . 1 1 1 A 90 90 VAL H H 90 9.340 9.828 -0.488 1
1 836 . 1 1 1 A 90 90 VAL HA H 90 5.160 5.272 -0.112 1
1 844 . 1 1 1 A 90 90 VAL C C 90 173.600 175.204 -1.604 1
1 845 . 1 1 1 A 90 90 VAL CA C 90 61.400 60.783 0.617 1
1 846 . 1 1 1 A 90 90 VAL CB C 90 34.100 34.304 -0.204 1
1 849 . 1 1 1 A 90 90 VAL N N 90 128.000 125.474 2.526 1
1 850 . 1 1 1 A 91 91 LYS H H 91 9.030 9.401 -0.371 1
1 851 . 1 1 1 A 91 91 LYS HA H 91 5.160 5.404 -0.244 1
1 858 . 1 1 1 A 91 91 LYS C C 91 175.300 174.884 0.416 1
1 859 . 1 1 1 A 91 91 LYS CA C 91 54.100 54.757 -0.657 1
1 860 . 1 1 1 A 91 91 LYS CB C 91 36.600 34.638 1.962 1
1 864 . 1 1 1 A 91 91 LYS N N 91 128.100 125.899 2.201 1
1 865 . 1 1 1 A 92 92 CYS H H 92 9.050 8.577 0.473 1
1 866 . 1 1 1 A 92 92 CYS HA H 92 4.950 5.201 -0.251 1
1 869 . 1 1 1 A 92 92 CYS C C 92 177.300 175.710 1.590 1
1 870 . 1 1 1 A 92 92 CYS CA C 92 59.600 57.017 2.583 1
1 871 . 1 1 1 A 92 92 CYS CB C 92 32.600 30.525 2.075 1
1 872 . 1 1 1 A 92 92 CYS N N 92 129.900 122.496 7.404 1
1 873 . 1 1 1 A 93 93 LEU H H 93 8.910 9.507 -0.597 1
1 874 . 1 1 1 A 93 93 LEU HA H 93 4.480 3.959 0.521 1
1 884 . 1 1 1 A 93 93 LEU C C 93 178.100 178.405 -0.305 1
1 885 . 1 1 1 A 93 93 LEU CA C 93 55.300 58.239 -2.939 1
1 886 . 1 1 1 A 93 93 LEU CB C 93 40.500 41.620 -1.120 1
1 890 . 1 1 1 A 93 93 LEU N N 93 127.300 129.802 -2.502 1
1 891 . 1 1 1 A 94 94 GLU H H 94 9.460 8.284 1.176 1
1 892 . 1 1 1 A 94 94 GLU HA H 94 4.420 4.020 0.400 1
1 897 . 1 1 1 A 94 94 GLU C C 94 178.400 179.113 -0.713 1
1 898 . 1 1 1 A 94 94 GLU CA C 94 59.700 59.639 0.061 1
1 899 . 1 1 1 A 94 94 GLU CB C 94 29.900 29.271 0.629 1
1 901 . 1 1 1 A 94 94 GLU N N 94 122.900 118.387 4.513 1
1 902 . 1 1 1 A 95 95 CYS H H 95 9.110 7.597 1.513 1
1 903 . 1 1 1 A 95 95 CYS HA H 95 5.140 4.512 0.628 1
1 906 . 1 1 1 A 95 95 CYS C C 95 176.900 175.753 1.147 1
1 907 . 1 1 1 A 95 95 CYS CA C 95 58.900 59.921 -1.021 1
1 908 . 1 1 1 A 95 95 CYS CB C 95 33.600 28.919 4.681 1
1 909 . 1 1 1 A 95 95 CYS N N 95 119.200 115.291 3.909 1
1 910 . 1 1 1 A 96 96 GLY H H 96 8.000 8.878 -0.878 1
1 911 . 1 1 1 A 96 96 GLY HA2 H 96 3.850 3.648 0.202 1
1 912 . 1 1 1 A 96 96 GLY C C 96 174.100 173.422 0.678 1
1 913 . 1 1 1 A 96 96 GLY CA C 96 46.500 45.600 0.900 1
1 914 . 1 1 1 A 96 96 GLY N N 96 115.300 110.808 4.492 1
1 915 . 1 1 1 A 97 97 HIS H H 97 9.310 7.649 1.661 1
1 916 . 1 1 1 A 97 97 HIS HA H 97 4.500 4.993 -0.493 1
1 919 . 1 1 1 A 97 97 HIS C C 97 173.200 173.782 -0.582 1
1 920 . 1 1 1 A 97 97 HIS CA C 97 58.600 54.900 3.700 1
1 921 . 1 1 1 A 97 97 HIS CB C 97 33.000 32.997 0.003 1
1 922 . 1 1 1 A 97 97 HIS N N 97 125.300 117.260 8.040 1
1 923 . 1 1 1 A 98 98 ILE H H 98 6.890 8.822 -1.932 1
1 924 . 1 1 1 A 98 98 ILE HA H 98 4.760 4.808 -0.048 1
1 934 . 1 1 1 A 98 98 ILE C C 98 175.000 174.051 0.949 1
1 935 . 1 1 1 A 98 98 ILE CA C 98 60.000 60.528 -0.528 1
1 936 . 1 1 1 A 98 98 ILE CB C 98 40.200 40.440 -0.240 1
1 940 . 1 1 1 A 98 98 ILE N N 98 123.600 123.578 0.022 1
1 941 . 1 1 1 A 99 99 MET H H 99 9.050 9.529 -0.479 1
1 942 . 1 1 1 A 99 99 MET HA H 99 4.630 5.370 -0.740 1
1 950 . 1 1 1 A 99 99 MET C C 99 173.100 174.816 -1.716 1
1 951 . 1 1 1 A 99 99 MET CA C 99 54.400 53.811 0.589 1
1 952 . 1 1 1 A 99 99 MET CB C 99 37.900 35.253 2.647 1
1 955 . 1 1 1 A 99 99 MET N N 99 126.400 127.986 -1.586 1
1 956 . 1 1 1 A 100 100 ARG H H 100 7.930 8.976 -1.046 1
1 957 . 1 1 1 A 100 100 ARG HA H 100 5.370 4.816 0.554 1
1 963 . 1 1 1 A 100 100 ARG C C 100 175.200 174.286 0.914 1
1 964 . 1 1 1 A 100 100 ARG CA C 100 54.700 55.077 -0.377 1
1 965 . 1 1 1 A 100 100 ARG CB C 100 33.600 32.913 0.687 1
1 968 . 1 1 1 A 100 100 ARG N N 100 120.200 123.134 -2.934 1
1 969 . 1 1 1 A 101 101 TYR H H 101 9.110 9.059 0.051 1
1 970 . 1 1 1 A 101 101 TYR HA H 101 5.130 5.238 -0.108 1
1 977 . 1 1 1 A 101 101 TYR CA C 101 55.300 55.218 0.082 1
1 978 . 1 1 1 A 101 101 TYR CB C 101 40.900 40.788 0.112 1
1 983 . 1 1 1 A 101 101 TYR N N 101 121.100 125.202 -4.102 1
1 1 . 2 1 1 A 18 18 ILE HA H 18 3.610 4.039 -0.429 1
1 11 . 2 1 1 A 18 18 ILE C C 18 176.800 177.434 -0.634 1
1 12 . 2 1 1 A 18 18 ILE CA C 18 66.700 63.163 3.537 1
1 13 . 2 1 1 A 18 18 ILE CB C 18 38.600 37.924 0.676 1
1 17 . 2 1 1 A 19 19 ASP H H 19 8.050 8.496 -0.446 1
1 18 . 2 1 1 A 19 19 ASP HA H 19 4.580 4.374 0.206 1
1 21 . 2 1 1 A 19 19 ASP CA C 19 58.200 56.801 1.399 1
1 22 . 2 1 1 A 19 19 ASP CB C 19 42.500 39.535 2.965 1
1 23 . 2 1 1 A 19 19 ASP N N 19 119.100 120.228 -1.128 1
1 24 . 2 1 1 A 20 20 ILE H H 20 8.240 7.727 0.513 1
1 25 . 2 1 1 A 20 20 ILE HA H 20 3.730 3.729 0.001 1
1 35 . 2 1 1 A 20 20 ILE CA C 20 65.000 65.507 -0.507 1
1 36 . 2 1 1 A 20 20 ILE CB C 20 38.300 37.778 0.522 1
1 40 . 2 1 1 A 20 20 ILE N N 20 120.400 121.437 -1.037 1
1 41 . 2 1 1 A 21 21 LEU H H 21 7.870 8.060 -0.190 1
1 42 . 2 1 1 A 21 21 LEU HA H 21 4.440 4.105 0.335 1
1 49 . 2 1 1 A 21 21 LEU C C 21 178.700 178.895 -0.195 1
1 50 . 2 1 1 A 21 21 LEU CA C 21 59.800 58.092 1.708 1
1 51 . 2 1 1 A 21 21 LEU CB C 21 42.200 41.545 0.655 1
1 54 . 2 1 1 A 21 21 LEU N N 21 121.100 121.262 -0.162 1
1 55 . 2 1 1 A 22 22 PHE H H 22 7.820 8.767 -0.947 1
1 56 . 2 1 1 A 22 22 PHE HA H 22 3.480 4.186 -0.706 1
1 63 . 2 1 1 A 22 22 PHE C C 22 177.300 177.389 -0.089 1
1 64 . 2 1 1 A 22 22 PHE CA C 22 63.100 61.855 1.245 1
1 65 . 2 1 1 A 22 22 PHE CB C 22 36.400 39.203 -2.803 1
1 70 . 2 1 1 A 22 22 PHE N N 22 116.900 119.775 -2.875 1
1 71 . 2 1 1 A 23 23 SER H H 23 7.940 8.153 -0.213 1
1 72 . 2 1 1 A 23 23 SER HA H 23 4.520 4.088 0.432 1
1 75 . 2 1 1 A 23 23 SER C C 23 177.300 177.531 -0.231 1
1 76 . 2 1 1 A 23 23 SER CA C 23 63.500 61.462 2.038 1
1 77 . 2 1 1 A 23 23 SER CB C 23 62.900 62.946 -0.046 1
1 78 . 2 1 1 A 23 23 SER N N 23 114.400 114.395 0.005 1
1 79 . 2 1 1 A 24 24 LEU H H 24 8.050 8.243 -0.193 1
1 80 . 2 1 1 A 24 24 LEU HA H 24 3.820 4.071 -0.251 1
1 89 . 2 1 1 A 24 24 LEU C C 24 178.200 178.971 -0.771 1
1 90 . 2 1 1 A 24 24 LEU CA C 24 58.100 57.546 0.554 1
1 91 . 2 1 1 A 24 24 LEU CB C 24 40.700 41.601 -0.901 1
1 95 . 2 1 1 A 24 24 LEU N N 24 124.700 120.856 3.844 1
1 96 . 2 1 1 A 25 25 ALA H H 25 7.590 8.872 -1.282 1
1 97 . 2 1 1 A 25 25 ALA HA H 25 3.820 4.034 -0.214 1
1 101 . 2 1 1 A 25 25 ALA C C 25 177.700 179.502 -1.802 1
1 102 . 2 1 1 A 25 25 ALA CA C 25 55.800 55.442 0.358 1
1 103 . 2 1 1 A 25 25 ALA CB C 25 18.400 18.132 0.268 1
1 104 . 2 1 1 A 25 25 ALA N N 25 122.400 122.040 0.360 1
1 105 . 2 1 1 A 26 26 GLU H H 26 7.690 7.606 0.084 1
1 106 . 2 1 1 A 26 26 GLU HA H 26 4.270 3.644 0.626 1
1 111 . 2 1 1 A 26 26 GLU C C 26 178.600 178.793 -0.193 1
1 112 . 2 1 1 A 26 26 GLU CA C 26 60.000 58.849 1.151 1
1 113 . 2 1 1 A 26 26 GLU CB C 26 31.100 28.985 2.115 1
1 115 . 2 1 1 A 26 26 GLU N N 26 116.000 119.151 -3.151 1
1 116 . 2 1 1 A 27 27 ARG H H 27 7.670 7.855 -0.185 1
1 117 . 2 1 1 A 27 27 ARG HA H 27 4.190 4.051 0.139 1
1 122 . 2 1 1 A 27 27 ARG C C 27 178.400 179.417 -1.017 1
1 123 . 2 1 1 A 27 27 ARG CA C 27 58.800 59.434 -0.634 1
1 124 . 2 1 1 A 27 27 ARG CB C 27 30.700 30.419 0.281 1
1 127 . 2 1 1 A 27 27 ARG N N 27 116.700 119.092 -2.392 1
1 128 . 2 1 1 A 28 28 VAL H H 28 8.230 8.168 0.062 1
1 129 . 2 1 1 A 28 28 VAL HA H 28 4.530 3.969 0.561 1
1 137 . 2 1 1 A 28 28 VAL C C 28 176.500 177.596 -1.096 1
1 138 . 2 1 1 A 28 28 VAL CA C 28 62.600 65.040 -2.440 1
1 139 . 2 1 1 A 28 28 VAL CB C 28 33.000 31.239 1.761 1
1 142 . 2 1 1 A 28 28 VAL N N 28 112.600 119.744 -7.144 1
1 143 . 2 1 1 A 29 29 PHE H H 29 8.020 8.167 -0.147 1
1 144 . 2 1 1 A 29 29 PHE HA H 29 3.960 4.335 -0.375 1
1 151 . 2 1 1 A 29 29 PHE CA C 29 64.500 62.733 1.767 1
1 152 . 2 1 1 A 29 29 PHE CB C 29 37.300 36.947 0.353 1
1 157 . 2 1 1 A 29 29 PHE N N 29 124.600 122.432 2.168 1
1 158 . 2 1 1 A 30 30 PRO HA H 30 4.150 4.213 -0.063 1
1 163 . 2 1 1 A 30 30 PRO C C 30 176.600 178.544 -1.944 1
1 164 . 2 1 1 A 30 30 PRO CA C 30 65.600 65.763 -0.163 1
1 165 . 2 1 1 A 30 30 PRO CB C 30 31.400 30.695 0.705 1
1 168 . 2 1 1 A 31 31 TYR H H 31 7.540 8.518 -0.978 1
1 169 . 2 1 1 A 31 31 TYR HA H 31 4.600 4.295 0.305 1
1 176 . 2 1 1 A 31 31 TYR C C 31 176.500 176.200 0.300 1
1 177 . 2 1 1 A 31 31 TYR CA C 31 58.300 60.748 -2.448 1
1 178 . 2 1 1 A 31 31 TYR CB C 31 39.400 38.337 1.063 1
1 183 . 2 1 1 A 31 31 TYR N N 31 113.500 117.789 -4.289 1
1 184 . 2 1 1 A 32 32 SER H H 32 8.210 8.121 0.089 1
1 185 . 2 1 1 A 32 32 SER HA H 32 4.770 4.703 0.067 1
1 188 . 2 1 1 A 32 32 SER CA C 32 55.700 55.429 0.271 1
1 189 . 2 1 1 A 32 32 SER CB C 32 63.200 65.252 -2.052 1
1 190 . 2 1 1 A 32 32 SER N N 32 111.700 110.730 0.970 1
1 191 . 2 1 1 A 33 33 PRO HA H 33 4.250 3.921 0.329 1
1 195 . 2 1 1 A 33 33 PRO C C 33 179.000 178.748 0.252 1
1 196 . 2 1 1 A 33 33 PRO CA C 33 65.400 65.203 0.197 1
1 197 . 2 1 1 A 33 33 PRO CB C 33 33.000 31.578 1.422 1
1 200 . 2 1 1 A 34 34 GLU H H 34 8.390 8.228 0.162 1
1 201 . 2 1 1 A 34 34 GLU HA H 34 4.130 4.084 0.046 1
1 204 . 2 1 1 A 34 34 GLU C C 34 178.700 179.477 -0.777 1
1 205 . 2 1 1 A 34 34 GLU CA C 34 59.900 59.334 0.566 1
1 206 . 2 1 1 A 34 34 GLU CB C 34 30.000 29.436 0.564 1
1 208 . 2 1 1 A 34 34 GLU N N 34 118.500 117.924 0.576 1
1 209 . 2 1 1 A 35 35 LEU H H 35 7.970 9.159 -1.189 1
1 210 . 2 1 1 A 35 35 LEU HA H 35 4.070 4.052 0.018 1
1 217 . 2 1 1 A 35 35 LEU CA C 35 57.400 58.017 -0.617 1
1 218 . 2 1 1 A 35 35 LEU CB C 35 42.200 41.728 0.472 1
1 221 . 2 1 1 A 35 35 LEU N N 35 122.000 120.420 1.580 1
1 222 . 2 1 1 A 36 36 ALA H H 36 7.860 8.074 -0.214 1
1 223 . 2 1 1 A 36 36 ALA HA H 36 4.040 4.036 0.004 1
1 227 . 2 1 1 A 36 36 ALA C C 36 178.600 179.098 -0.498 1
1 228 . 2 1 1 A 36 36 ALA CA C 36 56.400 55.395 1.005 1
1 229 . 2 1 1 A 36 36 ALA CB C 36 19.500 18.361 1.139 1
1 230 . 2 1 1 A 36 36 ALA N N 36 121.000 121.725 -0.725 1
1 231 . 2 1 1 A 37 37 LYS H H 37 7.910 8.066 -0.156 1
1 232 . 2 1 1 A 37 37 LYS HA H 37 4.300 4.008 0.292 1
1 237 . 2 1 1 A 37 37 LYS C C 37 177.800 178.933 -1.133 1
1 238 . 2 1 1 A 37 37 LYS CA C 37 59.700 59.847 -0.147 1
1 239 . 2 1 1 A 37 37 LYS CB C 37 32.400 32.695 -0.295 1
1 243 . 2 1 1 A 37 37 LYS N N 37 117.700 118.165 -0.465 1
1 244 . 2 1 1 A 38 38 ARG H H 38 7.640 7.662 -0.022 1
1 245 . 2 1 1 A 38 38 ARG HA H 38 4.090 4.069 0.021 1
1 251 . 2 1 1 A 38 38 ARG C C 38 179.600 178.949 0.651 1
1 252 . 2 1 1 A 38 38 ARG CA C 38 59.300 59.707 -0.407 1
1 253 . 2 1 1 A 38 38 ARG CB C 38 30.000 29.788 0.212 1
1 256 . 2 1 1 A 38 38 ARG N N 38 118.200 118.759 -0.559 1
1 257 . 2 1 1 A 39 39 TYR H H 39 7.860 8.413 -0.553 1
1 258 . 2 1 1 A 39 39 TYR HA H 39 4.290 4.373 -0.083 1
1 264 . 2 1 1 A 39 39 TYR C C 39 177.800 178.442 -0.642 1
1 265 . 2 1 1 A 39 39 TYR CA C 39 62.500 60.604 1.896 1
1 266 . 2 1 1 A 39 39 TYR CB C 39 38.300 37.885 0.415 1
1 271 . 2 1 1 A 39 39 TYR N N 39 119.200 119.754 -0.554 1
1 272 . 2 1 1 A 40 40 VAL H H 40 7.960 8.885 -0.925 1
1 273 . 2 1 1 A 40 40 VAL HA H 40 2.750 3.470 -0.720 1
1 281 . 2 1 1 A 40 40 VAL C C 40 177.800 177.601 0.199 1
1 282 . 2 1 1 A 40 40 VAL CA C 40 67.300 66.460 0.840 1
1 283 . 2 1 1 A 40 40 VAL CB C 40 31.400 31.333 0.067 1
1 286 . 2 1 1 A 40 40 VAL N N 40 120.800 119.872 0.928 1
1 287 . 2 1 1 A 41 41 GLU H H 41 8.660 7.784 0.876 1
1 288 . 2 1 1 A 41 41 GLU HA H 41 3.680 3.975 -0.295 1
1 291 . 2 1 1 A 41 41 GLU C C 41 179.900 179.200 0.700 1
1 292 . 2 1 1 A 41 41 GLU CA C 41 60.500 59.367 1.133 1
1 293 . 2 1 1 A 41 41 GLU CB C 41 29.400 29.373 0.027 1
1 295 . 2 1 1 A 41 41 GLU N N 41 117.000 119.555 -2.555 1
1 296 . 2 1 1 A 42 42 LEU H H 42 7.960 7.729 0.231 1
1 297 . 2 1 1 A 42 42 LEU HA H 42 4.130 4.064 0.066 1
1 306 . 2 1 1 A 42 42 LEU C C 42 178.300 178.244 0.056 1
1 307 . 2 1 1 A 42 42 LEU CA C 42 58.000 57.757 0.243 1
1 308 . 2 1 1 A 42 42 LEU CB C 42 42.300 41.285 1.015 1
1 312 . 2 1 1 A 42 42 LEU N N 42 120.300 122.080 -1.780 1
1 313 . 2 1 1 A 43 43 ALA H H 43 8.040 7.728 0.312 1
1 314 . 2 1 1 A 43 43 ALA HA H 43 3.740 3.875 -0.135 1
1 318 . 2 1 1 A 43 43 ALA C C 43 179.400 179.955 -0.555 1
1 319 . 2 1 1 A 43 43 ALA CA C 43 55.700 55.180 0.520 1
1 320 . 2 1 1 A 43 43 ALA CB C 43 18.500 18.416 0.084 1
1 321 . 2 1 1 A 43 43 ALA N N 43 123.600 121.008 2.592 1
1 322 . 2 1 1 A 44 44 LEU H H 44 8.340 8.293 0.047 1
1 323 . 2 1 1 A 44 44 LEU HA H 44 4.070 3.739 0.331 1
1 333 . 2 1 1 A 44 44 LEU C C 44 180.000 179.440 0.560 1
1 334 . 2 1 1 A 44 44 LEU CA C 44 57.500 57.598 -0.098 1
1 335 . 2 1 1 A 44 44 LEU CB C 44 40.800 41.634 -0.834 1
1 339 . 2 1 1 A 44 44 LEU N N 44 116.800 118.327 -1.527 1
1 340 . 2 1 1 A 45 45 LEU H H 45 7.860 8.344 -0.484 1
1 341 . 2 1 1 A 45 45 LEU HA H 45 4.170 3.955 0.215 1
1 351 . 2 1 1 A 45 45 LEU C C 45 179.600 178.767 0.833 1
1 352 . 2 1 1 A 45 45 LEU CA C 45 58.400 58.002 0.398 1
1 353 . 2 1 1 A 45 45 LEU CB C 45 42.200 41.796 0.404 1
1 357 . 2 1 1 A 45 45 LEU N N 45 122.600 118.710 3.890 1
1 358 . 2 1 1 A 46 46 VAL H H 46 8.070 8.635 -0.565 1
1 359 . 2 1 1 A 46 46 VAL HA H 46 3.610 3.455 0.155 1
1 367 . 2 1 1 A 46 46 VAL CA C 46 66.800 66.578 0.222 1
1 368 . 2 1 1 A 46 46 VAL CB C 46 31.600 31.154 0.446 1
1 370 . 2 1 1 A 46 46 VAL N N 46 120.100 119.043 1.057 1
1 371 . 2 1 1 A 47 47 GLN H H 47 8.360 8.177 0.183 1
1 372 . 2 1 1 A 47 47 GLN HA H 47 3.860 3.945 -0.085 1
1 378 . 2 1 1 A 47 47 GLN C C 47 178.000 178.040 -0.040 1
1 379 . 2 1 1 A 47 47 GLN CA C 47 60.200 59.244 0.956 1
1 380 . 2 1 1 A 47 47 GLN CB C 47 27.800 28.251 -0.451 1
1 382 . 2 1 1 A 47 47 GLN N N 47 120.000 119.468 0.532 1
1 384 . 2 1 1 A 48 48 GLN H H 48 8.110 7.931 0.179 1
1 385 . 2 1 1 A 48 48 GLN HA H 48 4.080 4.033 0.047 1
1 392 . 2 1 1 A 48 48 GLN C C 48 178.500 178.199 0.301 1
1 393 . 2 1 1 A 48 48 GLN CA C 48 58.900 58.758 0.142 1
1 394 . 2 1 1 A 48 48 GLN CB C 48 29.400 28.312 1.088 1
1 396 . 2 1 1 A 48 48 GLN N N 48 117.600 117.345 0.255 1
1 398 . 2 1 1 A 49 49 LYS H H 49 8.110 7.764 0.346 1
1 399 . 2 1 1 A 49 49 LYS HA H 49 4.190 4.019 0.171 1
1 405 . 2 1 1 A 49 49 LYS C C 49 177.800 179.234 -1.434 1
1 406 . 2 1 1 A 49 49 LYS CA C 49 58.600 59.246 -0.646 1
1 407 . 2 1 1 A 49 49 LYS CB C 49 33.000 32.102 0.898 1
1 411 . 2 1 1 A 49 49 LYS N N 49 118.100 119.382 -1.282 1
1 412 . 2 1 1 A 50 50 ALA H H 50 8.240 8.389 -0.149 1
1 413 . 2 1 1 A 50 50 ALA HA H 50 4.460 4.312 0.148 1
1 417 . 2 1 1 A 50 50 ALA C C 50 176.700 176.449 0.251 1
1 418 . 2 1 1 A 50 50 ALA CA C 50 52.700 52.524 0.176 1
1 419 . 2 1 1 A 50 50 ALA CB C 50 21.100 19.366 1.734 1
1 420 . 2 1 1 A 50 50 ALA N N 50 119.000 119.114 -0.114 1
1 421 . 2 1 1 A 51 51 LYS H H 51 8.000 7.848 0.152 1
1 422 . 2 1 1 A 51 51 LYS HA H 51 4.030 3.779 0.251 1
1 429 . 2 1 1 A 51 51 LYS C C 51 175.800 174.936 0.864 1
1 430 . 2 1 1 A 51 51 LYS CA C 51 57.500 57.276 0.224 1
1 431 . 2 1 1 A 51 51 LYS CB C 51 29.500 29.422 0.078 1
1 435 . 2 1 1 A 51 51 LYS N N 51 114.500 115.237 -0.737 1
1 436 . 2 1 1 A 52 52 VAL H H 52 7.000 7.578 -0.578 1
1 437 . 2 1 1 A 52 52 VAL HA H 52 4.570 4.410 0.160 1
1 445 . 2 1 1 A 52 52 VAL C C 52 175.000 175.044 -0.044 1
1 446 . 2 1 1 A 52 52 VAL CA C 52 59.600 61.369 -1.769 1
1 447 . 2 1 1 A 52 52 VAL CB C 52 34.900 33.551 1.349 1
1 450 . 2 1 1 A 52 52 VAL N N 52 111.600 118.966 -7.366 1
1 451 . 2 1 1 A 53 53 LYS H H 53 8.150 8.697 -0.547 1
1 452 . 2 1 1 A 53 53 LYS HA H 53 4.510 4.632 -0.122 1
1 454 . 2 1 1 A 53 53 LYS C C 53 176.800 175.530 1.270 1
1 455 . 2 1 1 A 53 53 LYS CA C 53 55.700 56.310 -0.610 1
1 456 . 2 1 1 A 53 53 LYS CB C 53 34.000 33.144 0.856 1
1 457 . 2 1 1 A 53 53 LYS N N 53 120.800 126.917 -6.117 1
1 458 . 2 1 1 A 54 54 ILE H H 54 8.370 8.697 -0.327 1
1 459 . 2 1 1 A 54 54 ILE HA H 54 4.530 4.761 -0.231 1
1 469 . 2 1 1 A 54 54 ILE CA C 54 58.700 57.925 0.775 1
1 470 . 2 1 1 A 54 54 ILE CB C 54 38.400 39.927 -1.527 1
1 474 . 2 1 1 A 54 54 ILE N N 54 122.500 123.471 -0.971 1
1 475 . 2 1 1 A 57 57 LYS HA H 57 3.780 4.036 -0.256 1
1 484 . 2 1 1 A 57 57 LYS C C 57 176.300 178.175 -1.875 1
1 485 . 2 1 1 A 57 57 LYS CA C 57 59.000 58.958 0.042 1
1 486 . 2 1 1 A 57 57 LYS CB C 57 32.300 31.971 0.329 1
1 490 . 2 1 1 A 58 58 TRP H H 58 7.250 7.477 -0.227 1
1 491 . 2 1 1 A 58 58 TRP HA H 58 4.850 4.794 0.056 1
1 500 . 2 1 1 A 58 58 TRP C C 58 176.800 178.945 -2.145 1
1 501 . 2 1 1 A 58 58 TRP CA C 58 55.400 58.966 -3.566 1
1 502 . 2 1 1 A 58 58 TRP CB C 58 31.300 30.908 0.392 1
1 508 . 2 1 1 A 58 58 TRP N N 58 116.300 118.547 -2.247 1
1 510 . 2 1 1 A 59 59 LYS H H 59 7.310 8.301 -0.991 1
1 511 . 2 1 1 A 59 59 LYS HA H 59 3.960 3.834 0.126 1
1 517 . 2 1 1 A 59 59 LYS CA C 59 60.600 59.987 0.613 1
1 518 . 2 1 1 A 59 59 LYS CB C 59 33.500 32.362 1.138 1
1 522 . 2 1 1 A 59 59 LYS N N 59 118.600 121.804 -3.204 1
1 523 . 2 1 1 A 60 60 ARG HA H 60 4.540 4.502 0.038 1
1 528 . 2 1 1 A 60 60 ARG C C 60 177.200 176.950 0.250 1
1 529 . 2 1 1 A 60 60 ARG CA C 60 55.400 56.434 -1.034 1
1 530 . 2 1 1 A 60 60 ARG CB C 60 30.400 30.488 -0.088 1
1 533 . 2 1 1 A 61 61 ARG H H 61 7.620 7.726 -0.106 1
1 534 . 2 1 1 A 61 61 ARG HA H 61 4.250 4.363 -0.113 1
1 537 . 2 1 1 A 61 61 ARG C C 61 172.300 174.820 -2.520 1
1 538 . 2 1 1 A 61 61 ARG CA C 61 54.400 55.311 -0.911 1
1 539 . 2 1 1 A 61 61 ARG CB C 61 27.900 30.136 -2.236 1
1 541 . 2 1 1 A 61 61 ARG N N 61 116.000 117.949 -1.949 1
1 542 . 2 1 1 A 62 62 TYR H H 62 6.980 7.758 -0.778 1
1 543 . 2 1 1 A 62 62 TYR HA H 62 5.860 5.959 -0.099 1
1 550 . 2 1 1 A 62 62 TYR C C 62 173.100 172.436 0.664 1
1 551 . 2 1 1 A 62 62 TYR CA C 62 55.000 56.222 -1.222 1
1 552 . 2 1 1 A 62 62 TYR CB C 62 43.000 41.092 1.908 1
1 557 . 2 1 1 A 62 62 TYR N N 62 112.300 116.501 -4.201 1
1 558 . 2 1 1 A 63 63 CYS H H 63 9.220 8.770 0.450 1
1 559 . 2 1 1 A 63 63 CYS HA H 63 4.280 4.595 -0.315 1
1 562 . 2 1 1 A 63 63 CYS C C 63 178.000 176.080 1.920 1
1 563 . 2 1 1 A 63 63 CYS CA C 63 59.900 58.014 1.886 1
1 564 . 2 1 1 A 63 63 CYS CB C 63 32.300 29.366 2.934 1
1 565 . 2 1 1 A 63 63 CYS N N 63 124.100 120.918 3.182 1
1 566 . 2 1 1 A 64 64 LYS H H 64 7.820 8.798 -0.978 1
1 567 . 2 1 1 A 64 64 LYS HA H 64 4.240 3.818 0.422 1
1 571 . 2 1 1 A 64 64 LYS C C 64 175.400 178.846 -3.446 1
1 572 . 2 1 1 A 64 64 LYS CA C 64 59.500 60.030 -0.530 1
1 573 . 2 1 1 A 64 64 LYS CB C 64 33.600 32.336 1.264 1
1 577 . 2 1 1 A 64 64 LYS N N 64 129.300 126.608 2.692 1
1 578 . 2 1 1 A 65 65 LYS H H 65 9.270 7.860 1.410 1
1 579 . 2 1 1 A 65 65 LYS HA H 65 4.250 4.010 0.240 1
1 586 . 2 1 1 A 65 65 LYS C C 65 176.300 178.637 -2.337 1
1 587 . 2 1 1 A 65 65 LYS CA C 65 58.500 58.661 -0.161 1
1 588 . 2 1 1 A 65 65 LYS CB C 65 33.700 32.837 0.863 1
1 592 . 2 1 1 A 65 65 LYS N N 65 122.500 119.911 2.589 1
1 593 . 2 1 1 A 66 66 CYS H H 66 9.190 7.790 1.400 1
1 594 . 2 1 1 A 66 66 CYS HA H 66 4.560 4.315 0.245 1
1 597 . 2 1 1 A 66 66 CYS C C 66 176.200 174.687 1.513 1
1 598 . 2 1 1 A 66 66 CYS CA C 66 59.700 62.493 -2.793 1
1 599 . 2 1 1 A 66 66 CYS CB C 66 32.200 27.964 4.236 1
1 600 . 2 1 1 A 66 66 CYS N N 66 121.200 117.337 3.863 1
1 601 . 2 1 1 A 67 67 HIS H H 67 7.700 8.078 -0.378 1
1 602 . 2 1 1 A 67 67 HIS HA H 67 4.850 4.439 0.411 1
1 604 . 2 1 1 A 67 67 HIS C C 67 171.000 173.870 -2.870 1
1 605 . 2 1 1 A 67 67 HIS CA C 67 56.200 57.116 -0.916 1
1 606 . 2 1 1 A 67 67 HIS CB C 67 26.800 26.757 0.043 1
1 607 . 2 1 1 A 67 67 HIS N N 67 114.200 116.045 -1.845 1
1 608 . 2 1 1 A 68 68 ALA H H 68 8.720 7.838 0.882 1
1 609 . 2 1 1 A 68 68 ALA HA H 68 4.230 5.291 -1.061 1
1 613 . 2 1 1 A 68 68 ALA C C 68 177.800 176.240 1.560 1
1 614 . 2 1 1 A 68 68 ALA CA C 68 53.800 50.434 3.366 1
1 615 . 2 1 1 A 68 68 ALA CB C 68 19.800 22.860 -3.060 1
1 616 . 2 1 1 A 68 68 ALA N N 68 119.600 120.043 -0.443 1
1 617 . 2 1 1 A 69 69 PHE H H 69 8.500 9.084 -0.584 1
1 618 . 2 1 1 A 69 69 PHE HA H 69 4.590 5.106 -0.516 1
1 626 . 2 1 1 A 69 69 PHE C C 69 174.200 173.985 0.215 1
1 627 . 2 1 1 A 69 69 PHE CA C 69 58.300 57.539 0.761 1
1 628 . 2 1 1 A 69 69 PHE CB C 69 40.900 38.708 2.192 1
1 634 . 2 1 1 A 69 69 PHE N N 69 122.200 122.523 -0.323 1
1 635 . 2 1 1 A 70 70 LEU H H 70 7.550 8.784 -1.234 1
1 636 . 2 1 1 A 70 70 LEU HA H 70 4.540 4.831 -0.291 1
1 645 . 2 1 1 A 70 70 LEU C C 70 176.000 175.076 0.924 1
1 646 . 2 1 1 A 70 70 LEU CA C 70 53.700 54.043 -0.343 1
1 647 . 2 1 1 A 70 70 LEU CB C 70 43.600 42.217 1.383 1
1 651 . 2 1 1 A 70 70 LEU N N 70 124.700 129.499 -4.799 1
1 652 . 2 1 1 A 71 71 VAL H H 71 9.700 7.848 1.852 1
1 653 . 2 1 1 A 71 71 VAL HA H 71 4.140 4.425 -0.285 1
1 661 . 2 1 1 A 71 71 VAL CA C 71 59.600 58.961 0.639 1
1 662 . 2 1 1 A 71 71 VAL CB C 71 34.000 35.369 -1.369 1
1 665 . 2 1 1 A 71 71 VAL N N 71 125.800 126.241 -0.441 1
1 666 . 2 1 1 A 72 72 PRO HA H 72 4.170 4.284 -0.114 1
1 673 . 2 1 1 A 72 72 PRO C C 72 176.200 177.328 -1.128 1
1 674 . 2 1 1 A 72 72 PRO CA C 72 64.100 63.638 0.462 1
1 675 . 2 1 1 A 72 72 PRO CB C 72 32.200 31.586 0.614 1
1 678 . 2 1 1 A 73 73 GLY H H 73 8.500 9.564 -1.064 1
1 679 . 2 1 1 A 73 73 GLY HA2 H 73 3.860 3.876 -0.016 1
1 680 . 2 1 1 A 73 73 GLY HA3 H 73 4.550 3.880 0.670 1
1 681 . 2 1 1 A 73 73 GLY CA C 73 45.700 45.388 0.312 1
1 682 . 2 1 1 A 73 73 GLY N N 73 112.200 111.119 1.081 1
1 683 . 2 1 1 A 74 74 ILE H H 74 8.360 7.493 0.867 1
1 684 . 2 1 1 A 74 74 ILE HA H 74 4.580 4.241 0.339 1
1 694 . 2 1 1 A 74 74 ILE C C 74 175.700 177.542 -1.842 1
1 695 . 2 1 1 A 74 74 ILE CA C 74 62.700 63.082 -0.382 1
1 696 . 2 1 1 A 74 74 ILE CB C 74 38.400 38.899 -0.499 1
1 700 . 2 1 1 A 74 74 ILE N N 74 120.200 120.418 -0.218 1
1 701 . 2 1 1 A 75 75 ASN H H 75 8.470 8.308 0.162 1
1 702 . 2 1 1 A 75 75 ASN HA H 75 4.970 4.713 0.257 1
1 706 . 2 1 1 A 75 75 ASN C C 75 172.900 174.454 -1.554 1
1 707 . 2 1 1 A 75 75 ASN CA C 75 52.600 52.779 -0.179 1
1 708 . 2 1 1 A 75 75 ASN CB C 75 38.600 38.128 0.472 1
1 709 . 2 1 1 A 75 75 ASN N N 75 116.400 115.361 1.039 1
1 711 . 2 1 1 A 76 76 ALA H H 76 7.250 7.669 -0.419 1
1 712 . 2 1 1 A 76 76 ALA HA H 76 5.510 5.259 0.251 1
1 716 . 2 1 1 A 76 76 ALA C C 76 176.200 174.918 1.282 1
1 717 . 2 1 1 A 76 76 ALA CA C 76 50.400 51.401 -1.001 1
1 718 . 2 1 1 A 76 76 ALA CB C 76 23.200 22.938 0.262 1
1 719 . 2 1 1 A 76 76 ALA N N 76 117.400 120.016 -2.616 1
1 720 . 2 1 1 A 77 77 ARG H H 77 8.850 8.979 -0.129 1
1 721 . 2 1 1 A 77 77 ARG HA H 77 4.950 5.167 -0.217 1
1 728 . 2 1 1 A 77 77 ARG CA C 77 54.800 54.466 0.334 1
1 729 . 2 1 1 A 77 77 ARG CB C 77 33.700 34.276 -0.576 1
1 732 . 2 1 1 A 77 77 ARG N N 77 123.000 122.234 0.766 1
1 733 . 2 1 1 A 78 78 VAL H H 78 8.920 8.980 -0.060 1
1 734 . 2 1 1 A 78 78 VAL HA H 78 4.730 5.309 -0.579 1
1 742 . 2 1 1 A 78 78 VAL CA C 78 61.400 59.542 1.858 1
1 743 . 2 1 1 A 78 78 VAL CB C 78 34.400 34.656 -0.256 1
1 746 . 2 1 1 A 78 78 VAL N N 78 127.400 124.512 2.888 1
1 747 . 2 1 1 A 79 79 ARG H H 79 9.000 8.970 0.030 1
1 748 . 2 1 1 A 79 79 ARG HA H 79 4.750 5.019 -0.269 1
1 754 . 2 1 1 A 79 79 ARG CA C 79 54.400 54.610 -0.210 1
1 755 . 2 1 1 A 79 79 ARG CB C 79 34.300 33.172 1.128 1
1 758 . 2 1 1 A 79 79 ARG N N 79 126.400 129.948 -3.548 1
1 759 . 2 1 1 A 80 80 LEU H H 80 8.480 9.153 -0.673 1
1 760 . 2 1 1 A 80 80 LEU HA H 80 4.690 4.927 -0.237 1
1 770 . 2 1 1 A 80 80 LEU CA C 80 54.600 53.752 0.848 1
1 771 . 2 1 1 A 80 80 LEU CB C 80 43.500 42.776 0.724 1
1 775 . 2 1 1 A 80 80 LEU N N 80 124.700 128.430 -3.730 1
1 776 . 2 1 1 A 81 81 ARG H H 81 8.800 8.625 0.175 1
1 777 . 2 1 1 A 81 81 ARG HA H 81 4.540 4.633 -0.093 1
1 781 . 2 1 1 A 81 81 ARG CA C 81 54.600 54.984 -0.384 1
1 782 . 2 1 1 A 81 81 ARG CB C 81 31.600 32.246 -0.646 1
1 785 . 2 1 1 A 81 81 ARG N N 81 126.100 124.698 1.402 1
1 786 . 2 1 1 A 86 86 PRO HA H 86 4.700 4.621 0.079 1
1 792 . 2 1 1 A 86 86 PRO C C 86 176.400 175.691 0.709 1
1 793 . 2 1 1 A 86 86 PRO CA C 86 64.000 62.658 1.342 1
1 794 . 2 1 1 A 86 86 PRO CB C 86 32.600 32.608 -0.008 1
1 796 . 2 1 1 A 87 87 HIS H H 87 8.560 8.472 0.088 1
1 797 . 2 1 1 A 87 87 HIS HA H 87 5.140 5.123 0.017 1
1 800 . 2 1 1 A 87 87 HIS C C 87 172.600 173.932 -1.332 1
1 801 . 2 1 1 A 87 87 HIS CA C 87 56.000 54.803 1.197 1
1 802 . 2 1 1 A 87 87 HIS CB C 87 32.400 33.668 -1.268 1
1 803 . 2 1 1 A 87 87 HIS N N 87 118.700 120.029 -1.329 1
1 804 . 2 1 1 A 88 88 ILE H H 88 9.250 9.438 -0.188 1
1 805 . 2 1 1 A 88 88 ILE HA H 88 4.710 5.340 -0.630 1
1 815 . 2 1 1 A 88 88 ILE CA C 88 60.200 59.242 0.958 1
1 816 . 2 1 1 A 88 88 ILE CB C 88 40.600 40.852 -0.252 1
1 820 . 2 1 1 A 88 88 ILE N N 88 120.600 117.435 3.165 1
1 821 . 2 1 1 A 89 89 VAL H H 89 9.050 8.970 0.080 1
1 822 . 2 1 1 A 89 89 VAL HA H 89 4.800 5.214 -0.414 1
1 830 . 2 1 1 A 89 89 VAL C C 89 175.000 174.588 0.412 1
1 831 . 2 1 1 A 89 89 VAL CA C 89 61.400 60.088 1.312 1
1 832 . 2 1 1 A 89 89 VAL CB C 89 34.400 34.297 0.103 1
1 835 . 2 1 1 A 90 90 VAL H H 90 9.340 9.953 -0.613 1
1 836 . 2 1 1 A 90 90 VAL HA H 90 5.160 5.247 -0.087 1
1 844 . 2 1 1 A 90 90 VAL C C 90 173.600 175.123 -1.523 1
1 845 . 2 1 1 A 90 90 VAL CA C 90 61.400 60.726 0.674 1
1 846 . 2 1 1 A 90 90 VAL CB C 90 34.100 34.312 -0.212 1
1 849 . 2 1 1 A 90 90 VAL N N 90 128.000 125.456 2.544 1
1 850 . 2 1 1 A 91 91 LYS H H 91 9.030 9.263 -0.233 1
1 851 . 2 1 1 A 91 91 LYS HA H 91 5.160 5.323 -0.163 1
1 858 . 2 1 1 A 91 91 LYS C C 91 175.300 174.679 0.621 1
1 859 . 2 1 1 A 91 91 LYS CA C 91 54.100 54.524 -0.424 1
1 860 . 2 1 1 A 91 91 LYS CB C 91 36.600 35.270 1.330 1
1 864 . 2 1 1 A 91 91 LYS N N 91 128.100 124.609 3.491 1
1 865 . 2 1 1 A 92 92 CYS H H 92 9.050 8.612 0.438 1
1 866 . 2 1 1 A 92 92 CYS HA H 92 4.950 5.065 -0.115 1
1 869 . 2 1 1 A 92 92 CYS C C 92 177.300 175.635 1.665 1
1 870 . 2 1 1 A 92 92 CYS CA C 92 59.600 56.858 2.742 1
1 871 . 2 1 1 A 92 92 CYS CB C 92 32.600 30.442 2.158 1
1 872 . 2 1 1 A 92 92 CYS N N 92 129.900 122.531 7.369 1
1 873 . 2 1 1 A 93 93 LEU H H 93 8.910 9.650 -0.740 1
1 874 . 2 1 1 A 93 93 LEU HA H 93 4.480 3.938 0.542 1
1 884 . 2 1 1 A 93 93 LEU C C 93 178.100 178.317 -0.217 1
1 885 . 2 1 1 A 93 93 LEU CA C 93 55.300 58.163 -2.863 1
1 886 . 2 1 1 A 93 93 LEU CB C 93 40.500 41.441 -0.941 1
1 890 . 2 1 1 A 93 93 LEU N N 93 127.300 129.602 -2.302 1
1 891 . 2 1 1 A 94 94 GLU H H 94 9.460 8.294 1.166 1
1 892 . 2 1 1 A 94 94 GLU HA H 94 4.420 3.928 0.492 1
1 897 . 2 1 1 A 94 94 GLU C C 94 178.400 178.846 -0.446 1
1 898 . 2 1 1 A 94 94 GLU CA C 94 59.700 59.635 0.065 1
1 899 . 2 1 1 A 94 94 GLU CB C 94 29.900 29.264 0.636 1
1 901 . 2 1 1 A 94 94 GLU N N 94 122.900 118.499 4.401 1
1 902 . 2 1 1 A 95 95 CYS H H 95 9.110 7.579 1.531 1
1 903 . 2 1 1 A 95 95 CYS HA H 95 5.140 4.422 0.718 1
1 906 . 2 1 1 A 95 95 CYS C C 95 176.900 175.645 1.255 1
1 907 . 2 1 1 A 95 95 CYS CA C 95 58.900 59.834 -0.934 1
1 908 . 2 1 1 A 95 95 CYS CB C 95 33.600 28.931 4.669 1
1 909 . 2 1 1 A 95 95 CYS N N 95 119.200 115.740 3.460 1
1 910 . 2 1 1 A 96 96 GLY H H 96 8.000 8.800 -0.800 1
1 911 . 2 1 1 A 96 96 GLY HA2 H 96 3.850 3.593 0.257 1
1 912 . 2 1 1 A 96 96 GLY C C 96 174.100 173.443 0.657 1
1 913 . 2 1 1 A 96 96 GLY CA C 96 46.500 45.557 0.943 1
1 914 . 2 1 1 A 96 96 GLY N N 96 115.300 110.734 4.566 1
1 915 . 2 1 1 A 97 97 HIS H H 97 9.310 7.340 1.970 1
1 916 . 2 1 1 A 97 97 HIS HA H 97 4.500 5.009 -0.509 1
1 919 . 2 1 1 A 97 97 HIS C C 97 173.200 173.100 0.100 1
1 920 . 2 1 1 A 97 97 HIS CA C 97 58.600 54.798 3.802 1
1 921 . 2 1 1 A 97 97 HIS CB C 97 33.000 33.461 -0.461 1
1 922 . 2 1 1 A 97 97 HIS N N 97 125.300 117.150 8.150 1
1 923 . 2 1 1 A 98 98 ILE H H 98 6.890 8.966 -2.076 1
1 924 . 2 1 1 A 98 98 ILE HA H 98 4.760 4.823 -0.063 1
1 934 . 2 1 1 A 98 98 ILE C C 98 175.000 174.011 0.989 1
1 935 . 2 1 1 A 98 98 ILE CA C 98 60.000 60.053 -0.053 1
1 936 . 2 1 1 A 98 98 ILE CB C 98 40.200 40.480 -0.280 1
1 940 . 2 1 1 A 98 98 ILE N N 98 123.600 123.208 0.392 1
1 941 . 2 1 1 A 99 99 MET H H 99 9.050 9.642 -0.592 1
1 942 . 2 1 1 A 99 99 MET HA H 99 4.630 5.390 -0.760 1
1 950 . 2 1 1 A 99 99 MET C C 99 173.100 174.851 -1.751 1
1 951 . 2 1 1 A 99 99 MET CA C 99 54.400 53.827 0.573 1
1 952 . 2 1 1 A 99 99 MET CB C 99 37.900 35.156 2.744 1
1 955 . 2 1 1 A 99 99 MET N N 99 126.400 127.988 -1.588 1
1 956 . 2 1 1 A 100 100 ARG H H 100 7.930 9.017 -1.087 1
1 957 . 2 1 1 A 100 100 ARG HA H 100 5.370 4.861 0.509 1
1 963 . 2 1 1 A 100 100 ARG C C 100 175.200 175.152 0.048 1
1 964 . 2 1 1 A 100 100 ARG CA C 100 54.700 55.089 -0.389 1
1 965 . 2 1 1 A 100 100 ARG CB C 100 33.600 32.919 0.681 1
1 968 . 2 1 1 A 100 100 ARG N N 100 120.200 123.177 -2.977 1
1 969 . 2 1 1 A 101 101 TYR H H 101 9.110 9.409 -0.299 1
1 970 . 2 1 1 A 101 101 TYR HA H 101 5.130 5.159 -0.029 1
1 977 . 2 1 1 A 101 101 TYR CA C 101 55.300 54.922 0.378 1
1 978 . 2 1 1 A 101 101 TYR CB C 101 40.900 39.184 1.716 1
1 983 . 2 1 1 A 101 101 TYR N N 101 121.100 122.123 -1.023 1
1 1 . 3 1 1 A 18 18 ILE HA H 18 3.610 3.738 -0.128 1
1 11 . 3 1 1 A 18 18 ILE C C 18 176.800 177.963 -1.163 1
1 12 . 3 1 1 A 18 18 ILE CA C 18 66.700 65.707 0.993 1
1 13 . 3 1 1 A 18 18 ILE CB C 18 38.600 37.561 1.039 1
1 17 . 3 1 1 A 19 19 ASP H H 19 8.050 7.988 0.062 1
1 18 . 3 1 1 A 19 19 ASP HA H 19 4.580 4.635 -0.055 1
1 21 . 3 1 1 A 19 19 ASP CA C 19 58.200 57.569 0.631 1
1 22 . 3 1 1 A 19 19 ASP CB C 19 42.500 40.784 1.716 1
1 23 . 3 1 1 A 19 19 ASP N N 19 119.100 120.305 -1.205 1
1 24 . 3 1 1 A 20 20 ILE H H 20 8.240 7.931 0.309 1
1 25 . 3 1 1 A 20 20 ILE HA H 20 3.730 3.730 0.000 1
1 35 . 3 1 1 A 20 20 ILE CA C 20 65.000 65.514 -0.514 1
1 36 . 3 1 1 A 20 20 ILE CB C 20 38.300 37.788 0.512 1
1 40 . 3 1 1 A 20 20 ILE N N 20 120.400 120.372 0.028 1
1 41 . 3 1 1 A 21 21 LEU H H 21 7.870 8.182 -0.312 1
1 42 . 3 1 1 A 21 21 LEU HA H 21 4.440 3.990 0.450 1
1 49 . 3 1 1 A 21 21 LEU C C 21 178.700 179.378 -0.678 1
1 50 . 3 1 1 A 21 21 LEU CA C 21 59.800 58.137 1.663 1
1 51 . 3 1 1 A 21 21 LEU CB C 21 42.200 41.943 0.257 1
1 54 . 3 1 1 A 21 21 LEU N N 21 121.100 118.739 2.361 1
1 55 . 3 1 1 A 22 22 PHE H H 22 7.820 9.237 -1.417 1
1 56 . 3 1 1 A 22 22 PHE HA H 22 3.480 4.316 -0.836 1
1 63 . 3 1 1 A 22 22 PHE C C 22 177.300 177.967 -0.667 1
1 64 . 3 1 1 A 22 22 PHE CA C 22 63.100 62.079 1.021 1
1 65 . 3 1 1 A 22 22 PHE CB C 22 36.400 39.215 -2.815 1
1 70 . 3 1 1 A 22 22 PHE N N 22 116.900 119.724 -2.824 1
1 71 . 3 1 1 A 23 23 SER H H 23 7.940 8.260 -0.320 1
1 72 . 3 1 1 A 23 23 SER HA H 23 4.520 4.152 0.368 1
1 75 . 3 1 1 A 23 23 SER C C 23 177.300 176.103 1.197 1
1 76 . 3 1 1 A 23 23 SER CA C 23 63.500 61.848 1.652 1
1 77 . 3 1 1 A 23 23 SER CB C 23 62.900 63.050 -0.150 1
1 78 . 3 1 1 A 23 23 SER N N 23 114.400 115.345 -0.945 1
1 79 . 3 1 1 A 24 24 LEU H H 24 8.050 7.995 0.055 1
1 80 . 3 1 1 A 24 24 LEU HA H 24 3.820 3.986 -0.166 1
1 89 . 3 1 1 A 24 24 LEU C C 24 178.200 178.814 -0.614 1
1 90 . 3 1 1 A 24 24 LEU CA C 24 58.100 57.513 0.587 1
1 91 . 3 1 1 A 24 24 LEU CB C 24 40.700 41.523 -0.823 1
1 95 . 3 1 1 A 24 24 LEU N N 24 124.700 121.264 3.436 1
1 96 . 3 1 1 A 25 25 ALA H H 25 7.590 8.869 -1.279 1
1 97 . 3 1 1 A 25 25 ALA HA H 25 3.820 4.018 -0.198 1
1 101 . 3 1 1 A 25 25 ALA C C 25 177.700 179.422 -1.722 1
1 102 . 3 1 1 A 25 25 ALA CA C 25 55.800 55.704 0.096 1
1 103 . 3 1 1 A 25 25 ALA CB C 25 18.400 18.080 0.320 1
1 104 . 3 1 1 A 25 25 ALA N N 25 122.400 122.272 0.128 1
1 105 . 3 1 1 A 26 26 GLU H H 26 7.690 7.957 -0.267 1
1 106 . 3 1 1 A 26 26 GLU HA H 26 4.270 3.719 0.551 1
1 111 . 3 1 1 A 26 26 GLU C C 26 178.600 178.450 0.150 1
1 112 . 3 1 1 A 26 26 GLU CA C 26 60.000 59.016 0.984 1
1 113 . 3 1 1 A 26 26 GLU CB C 26 31.100 28.958 2.142 1
1 115 . 3 1 1 A 26 26 GLU N N 26 116.000 118.841 -2.841 1
1 116 . 3 1 1 A 27 27 ARG H H 27 7.670 7.632 0.038 1
1 117 . 3 1 1 A 27 27 ARG HA H 27 4.190 4.120 0.070 1
1 122 . 3 1 1 A 27 27 ARG C C 27 178.400 178.233 0.167 1
1 123 . 3 1 1 A 27 27 ARG CA C 27 58.800 58.646 0.154 1
1 124 . 3 1 1 A 27 27 ARG CB C 27 30.700 29.931 0.769 1
1 127 . 3 1 1 A 27 27 ARG N N 27 116.700 120.567 -3.867 1
1 128 . 3 1 1 A 28 28 VAL H H 28 8.230 7.899 0.331 1
1 129 . 3 1 1 A 28 28 VAL HA H 28 4.530 3.885 0.645 1
1 137 . 3 1 1 A 28 28 VAL C C 28 176.500 178.128 -1.628 1
1 138 . 3 1 1 A 28 28 VAL CA C 28 62.600 65.066 -2.466 1
1 139 . 3 1 1 A 28 28 VAL CB C 28 33.000 31.400 1.600 1
1 142 . 3 1 1 A 28 28 VAL N N 28 112.600 118.559 -5.959 1
1 143 . 3 1 1 A 29 29 PHE H H 29 8.020 8.090 -0.070 1
1 144 . 3 1 1 A 29 29 PHE HA H 29 3.960 4.266 -0.306 1
1 151 . 3 1 1 A 29 29 PHE CA C 29 64.500 62.736 1.764 1
1 152 . 3 1 1 A 29 29 PHE CB C 29 37.300 36.876 0.424 1
1 157 . 3 1 1 A 29 29 PHE N N 29 124.600 122.410 2.190 1
1 158 . 3 1 1 A 30 30 PRO HA H 30 4.150 4.000 0.150 1
1 163 . 3 1 1 A 30 30 PRO C C 30 176.600 178.672 -2.072 1
1 164 . 3 1 1 A 30 30 PRO CA C 30 65.600 65.736 -0.136 1
1 165 . 3 1 1 A 30 30 PRO CB C 30 31.400 30.829 0.571 1
1 168 . 3 1 1 A 31 31 TYR H H 31 7.540 7.976 -0.436 1
1 169 . 3 1 1 A 31 31 TYR HA H 31 4.600 4.207 0.393 1
1 176 . 3 1 1 A 31 31 TYR C C 31 176.500 175.464 1.036 1
1 177 . 3 1 1 A 31 31 TYR CA C 31 58.300 61.624 -3.324 1
1 178 . 3 1 1 A 31 31 TYR CB C 31 39.400 39.208 0.192 1
1 183 . 3 1 1 A 31 31 TYR N N 31 113.500 119.245 -5.745 1
1 184 . 3 1 1 A 32 32 SER H H 32 8.210 8.221 -0.011 1
1 185 . 3 1 1 A 32 32 SER HA H 32 4.770 4.589 0.181 1
1 188 . 3 1 1 A 32 32 SER CA C 32 55.700 55.697 0.003 1
1 189 . 3 1 1 A 32 32 SER CB C 32 63.200 65.307 -2.107 1
1 190 . 3 1 1 A 32 32 SER N N 32 111.700 113.306 -1.606 1
1 191 . 3 1 1 A 33 33 PRO HA H 33 4.250 4.404 -0.154 1
1 195 . 3 1 1 A 33 33 PRO C C 33 179.000 177.879 1.121 1
1 196 . 3 1 1 A 33 33 PRO CA C 33 65.400 65.409 -0.009 1
1 197 . 3 1 1 A 33 33 PRO CB C 33 33.000 31.762 1.238 1
1 200 . 3 1 1 A 34 34 GLU H H 34 8.390 8.013 0.377 1
1 201 . 3 1 1 A 34 34 GLU HA H 34 4.130 4.154 -0.024 1
1 204 . 3 1 1 A 34 34 GLU C C 34 178.700 179.235 -0.535 1
1 205 . 3 1 1 A 34 34 GLU CA C 34 59.900 59.620 0.280 1
1 206 . 3 1 1 A 34 34 GLU CB C 34 30.000 29.445 0.555 1
1 208 . 3 1 1 A 34 34 GLU N N 34 118.500 118.371 0.129 1
1 209 . 3 1 1 A 35 35 LEU H H 35 7.970 8.409 -0.439 1
1 210 . 3 1 1 A 35 35 LEU HA H 35 4.070 4.030 0.040 1
1 217 . 3 1 1 A 35 35 LEU CA C 35 57.400 58.089 -0.689 1
1 218 . 3 1 1 A 35 35 LEU CB C 35 42.200 41.807 0.393 1
1 221 . 3 1 1 A 35 35 LEU N N 35 122.000 120.970 1.030 1
1 222 . 3 1 1 A 36 36 ALA H H 36 7.860 8.507 -0.647 1
1 223 . 3 1 1 A 36 36 ALA HA H 36 4.040 4.258 -0.218 1
1 227 . 3 1 1 A 36 36 ALA C C 36 178.600 179.136 -0.536 1
1 228 . 3 1 1 A 36 36 ALA CA C 36 56.400 55.522 0.878 1
1 229 . 3 1 1 A 36 36 ALA CB C 36 19.500 18.717 0.783 1
1 230 . 3 1 1 A 36 36 ALA N N 36 121.000 122.026 -1.026 1
1 231 . 3 1 1 A 37 37 LYS H H 37 7.910 8.358 -0.448 1
1 232 . 3 1 1 A 37 37 LYS HA H 37 4.300 3.991 0.309 1
1 237 . 3 1 1 A 37 37 LYS C C 37 177.800 178.959 -1.159 1
1 238 . 3 1 1 A 37 37 LYS CA C 37 59.700 59.870 -0.170 1
1 239 . 3 1 1 A 37 37 LYS CB C 37 32.400 32.722 -0.322 1
1 243 . 3 1 1 A 37 37 LYS N N 37 117.700 118.323 -0.623 1
1 244 . 3 1 1 A 38 38 ARG H H 38 7.640 7.558 0.082 1
1 245 . 3 1 1 A 38 38 ARG HA H 38 4.090 3.978 0.112 1
1 251 . 3 1 1 A 38 38 ARG C C 38 179.600 178.817 0.783 1
1 252 . 3 1 1 A 38 38 ARG CA C 38 59.300 59.553 -0.253 1
1 253 . 3 1 1 A 38 38 ARG CB C 38 30.000 29.688 0.312 1
1 256 . 3 1 1 A 38 38 ARG N N 38 118.200 118.602 -0.402 1
1 257 . 3 1 1 A 39 39 TYR H H 39 7.860 7.912 -0.052 1
1 258 . 3 1 1 A 39 39 TYR HA H 39 4.290 4.398 -0.108 1
1 264 . 3 1 1 A 39 39 TYR C C 39 177.800 178.529 -0.729 1
1 265 . 3 1 1 A 39 39 TYR CA C 39 62.500 60.241 2.259 1
1 266 . 3 1 1 A 39 39 TYR CB C 39 38.300 37.783 0.517 1
1 271 . 3 1 1 A 39 39 TYR N N 39 119.200 119.754 -0.554 1
1 272 . 3 1 1 A 40 40 VAL H H 40 7.960 8.602 -0.642 1
1 273 . 3 1 1 A 40 40 VAL HA H 40 2.750 3.542 -0.792 1
1 281 . 3 1 1 A 40 40 VAL C C 40 177.800 178.322 -0.522 1
1 282 . 3 1 1 A 40 40 VAL CA C 40 67.300 66.481 0.819 1
1 283 . 3 1 1 A 40 40 VAL CB C 40 31.400 31.411 -0.011 1
1 286 . 3 1 1 A 40 40 VAL N N 40 120.800 119.591 1.209 1
1 287 . 3 1 1 A 41 41 GLU H H 41 8.660 7.900 0.760 1
1 288 . 3 1 1 A 41 41 GLU HA H 41 3.680 4.002 -0.322 1
1 291 . 3 1 1 A 41 41 GLU C C 41 179.900 178.515 1.385 1
1 292 . 3 1 1 A 41 41 GLU CA C 41 60.500 58.785 1.715 1
1 293 . 3 1 1 A 41 41 GLU CB C 41 29.400 29.396 0.004 1
1 295 . 3 1 1 A 41 41 GLU N N 41 117.000 120.493 -3.493 1
1 296 . 3 1 1 A 42 42 LEU H H 42 7.960 7.992 -0.032 1
1 297 . 3 1 1 A 42 42 LEU HA H 42 4.130 4.095 0.035 1
1 306 . 3 1 1 A 42 42 LEU C C 42 178.300 178.247 0.053 1
1 307 . 3 1 1 A 42 42 LEU CA C 42 58.000 57.783 0.217 1
1 308 . 3 1 1 A 42 42 LEU CB C 42 42.300 41.396 0.904 1
1 312 . 3 1 1 A 42 42 LEU N N 42 120.300 121.291 -0.991 1
1 313 . 3 1 1 A 43 43 ALA H H 43 8.040 7.907 0.133 1
1 314 . 3 1 1 A 43 43 ALA HA H 43 3.740 3.932 -0.192 1
1 318 . 3 1 1 A 43 43 ALA C C 43 179.400 180.036 -0.636 1
1 319 . 3 1 1 A 43 43 ALA CA C 43 55.700 55.271 0.429 1
1 320 . 3 1 1 A 43 43 ALA CB C 43 18.500 18.472 0.028 1
1 321 . 3 1 1 A 43 43 ALA N N 43 123.600 121.009 2.591 1
1 322 . 3 1 1 A 44 44 LEU H H 44 8.340 8.421 -0.081 1
1 323 . 3 1 1 A 44 44 LEU HA H 44 4.070 3.739 0.331 1
1 333 . 3 1 1 A 44 44 LEU C C 44 180.000 179.235 0.765 1
1 334 . 3 1 1 A 44 44 LEU CA C 44 57.500 57.634 -0.134 1
1 335 . 3 1 1 A 44 44 LEU CB C 44 40.800 41.708 -0.908 1
1 339 . 3 1 1 A 44 44 LEU N N 44 116.800 118.256 -1.456 1
1 340 . 3 1 1 A 45 45 LEU H H 45 7.860 7.801 0.059 1
1 341 . 3 1 1 A 45 45 LEU HA H 45 4.170 3.879 0.291 1
1 351 . 3 1 1 A 45 45 LEU C C 45 179.600 178.608 0.992 1
1 352 . 3 1 1 A 45 45 LEU CA C 45 58.400 58.051 0.349 1
1 353 . 3 1 1 A 45 45 LEU CB C 45 42.200 41.200 1.000 1
1 357 . 3 1 1 A 45 45 LEU N N 45 122.600 120.201 2.399 1
1 358 . 3 1 1 A 46 46 VAL H H 46 8.070 8.066 0.004 1
1 359 . 3 1 1 A 46 46 VAL HA H 46 3.610 3.465 0.145 1
1 367 . 3 1 1 A 46 46 VAL CA C 46 66.800 66.596 0.204 1
1 368 . 3 1 1 A 46 46 VAL CB C 46 31.600 31.150 0.450 1
1 370 . 3 1 1 A 46 46 VAL N N 46 120.100 118.843 1.257 1
1 371 . 3 1 1 A 47 47 GLN H H 47 8.360 8.082 0.278 1
1 372 . 3 1 1 A 47 47 GLN HA H 47 3.860 3.945 -0.085 1
1 378 . 3 1 1 A 47 47 GLN C C 47 178.000 178.107 -0.107 1
1 379 . 3 1 1 A 47 47 GLN CA C 47 60.200 59.211 0.989 1
1 380 . 3 1 1 A 47 47 GLN CB C 47 27.800 28.265 -0.465 1
1 382 . 3 1 1 A 47 47 GLN N N 47 120.000 119.461 0.539 1
1 384 . 3 1 1 A 48 48 GLN H H 48 8.110 7.952 0.158 1
1 385 . 3 1 1 A 48 48 GLN HA H 48 4.080 4.038 0.042 1
1 392 . 3 1 1 A 48 48 GLN C C 48 178.500 178.228 0.272 1
1 393 . 3 1 1 A 48 48 GLN CA C 48 58.900 58.728 0.172 1
1 394 . 3 1 1 A 48 48 GLN CB C 48 29.400 28.294 1.106 1
1 396 . 3 1 1 A 48 48 GLN N N 48 117.600 117.365 0.235 1
1 398 . 3 1 1 A 49 49 LYS H H 49 8.110 7.863 0.247 1
1 399 . 3 1 1 A 49 49 LYS HA H 49 4.190 4.007 0.183 1
1 405 . 3 1 1 A 49 49 LYS C C 49 177.800 179.241 -1.441 1
1 406 . 3 1 1 A 49 49 LYS CA C 49 58.600 59.242 -0.642 1
1 407 . 3 1 1 A 49 49 LYS CB C 49 33.000 32.133 0.867 1
1 411 . 3 1 1 A 49 49 LYS N N 49 118.100 119.508 -1.408 1
1 412 . 3 1 1 A 50 50 ALA H H 50 8.240 8.180 0.060 1
1 413 . 3 1 1 A 50 50 ALA HA H 50 4.460 4.307 0.153 1
1 417 . 3 1 1 A 50 50 ALA C C 50 176.700 177.224 -0.524 1
1 418 . 3 1 1 A 50 50 ALA CA C 50 52.700 52.647 0.053 1
1 419 . 3 1 1 A 50 50 ALA CB C 50 21.100 19.365 1.735 1
1 420 . 3 1 1 A 50 50 ALA N N 50 119.000 119.069 -0.069 1
1 421 . 3 1 1 A 51 51 LYS H H 51 8.000 8.031 -0.031 1
1 422 . 3 1 1 A 51 51 LYS HA H 51 4.030 3.957 0.073 1
1 429 . 3 1 1 A 51 51 LYS C C 51 175.800 175.471 0.329 1
1 430 . 3 1 1 A 51 51 LYS CA C 51 57.500 57.169 0.331 1
1 431 . 3 1 1 A 51 51 LYS CB C 51 29.500 30.965 -1.465 1
1 435 . 3 1 1 A 51 51 LYS N N 51 114.500 117.485 -2.985 1
1 436 . 3 1 1 A 52 52 VAL H H 52 7.000 7.440 -0.440 1
1 437 . 3 1 1 A 52 52 VAL HA H 52 4.570 4.806 -0.236 1
1 445 . 3 1 1 A 52 52 VAL C C 52 175.000 174.440 0.560 1
1 446 . 3 1 1 A 52 52 VAL CA C 52 59.600 60.004 -0.404 1
1 447 . 3 1 1 A 52 52 VAL CB C 52 34.900 34.598 0.302 1
1 450 . 3 1 1 A 52 52 VAL N N 52 111.600 114.777 -3.177 1
1 451 . 3 1 1 A 53 53 LYS H H 53 8.150 8.663 -0.513 1
1 452 . 3 1 1 A 53 53 LYS HA H 53 4.510 4.702 -0.192 1
1 454 . 3 1 1 A 53 53 LYS C C 53 176.800 175.587 1.213 1
1 455 . 3 1 1 A 53 53 LYS CA C 53 55.700 55.714 -0.014 1
1 456 . 3 1 1 A 53 53 LYS CB C 53 34.000 33.633 0.367 1
1 457 . 3 1 1 A 53 53 LYS N N 53 120.800 124.734 -3.934 1
1 458 . 3 1 1 A 54 54 ILE H H 54 8.370 8.708 -0.338 1
1 459 . 3 1 1 A 54 54 ILE HA H 54 4.530 4.743 -0.213 1
1 469 . 3 1 1 A 54 54 ILE CA C 54 58.700 57.950 0.750 1
1 470 . 3 1 1 A 54 54 ILE CB C 54 38.400 40.098 -1.698 1
1 474 . 3 1 1 A 54 54 ILE N N 54 122.500 123.633 -1.133 1
1 475 . 3 1 1 A 57 57 LYS HA H 57 3.780 3.779 0.001 1
1 484 . 3 1 1 A 57 57 LYS C C 57 176.300 177.780 -1.480 1
1 485 . 3 1 1 A 57 57 LYS CA C 57 59.000 58.714 0.286 1
1 486 . 3 1 1 A 57 57 LYS CB C 57 32.300 31.794 0.506 1
1 490 . 3 1 1 A 58 58 TRP H H 58 7.250 7.337 -0.087 1
1 491 . 3 1 1 A 58 58 TRP HA H 58 4.850 4.488 0.362 1
1 500 . 3 1 1 A 58 58 TRP C C 58 176.800 178.850 -2.050 1
1 501 . 3 1 1 A 58 58 TRP CA C 58 55.400 58.770 -3.370 1
1 502 . 3 1 1 A 58 58 TRP CB C 58 31.300 30.828 0.472 1
1 508 . 3 1 1 A 58 58 TRP N N 58 116.300 118.330 -2.030 1
1 510 . 3 1 1 A 59 59 LYS H H 59 7.310 8.296 -0.986 1
1 511 . 3 1 1 A 59 59 LYS HA H 59 3.960 4.008 -0.048 1
1 517 . 3 1 1 A 59 59 LYS CA C 59 60.600 60.039 0.561 1
1 518 . 3 1 1 A 59 59 LYS CB C 59 33.500 32.604 0.896 1
1 522 . 3 1 1 A 59 59 LYS N N 59 118.600 121.754 -3.154 1
1 523 . 3 1 1 A 60 60 ARG HA H 60 4.540 4.420 0.120 1
1 528 . 3 1 1 A 60 60 ARG C C 60 177.200 177.368 -0.168 1
1 529 . 3 1 1 A 60 60 ARG CA C 60 55.400 56.449 -1.049 1
1 530 . 3 1 1 A 60 60 ARG CB C 60 30.400 30.449 -0.049 1
1 533 . 3 1 1 A 61 61 ARG H H 61 7.620 7.619 0.001 1
1 534 . 3 1 1 A 61 61 ARG HA H 61 4.250 4.425 -0.175 1
1 537 . 3 1 1 A 61 61 ARG C C 61 172.300 174.567 -2.267 1
1 538 . 3 1 1 A 61 61 ARG CA C 61 54.400 55.374 -0.974 1
1 539 . 3 1 1 A 61 61 ARG CB C 61 27.900 30.300 -2.400 1
1 541 . 3 1 1 A 61 61 ARG N N 61 116.000 117.142 -1.142 1
1 542 . 3 1 1 A 62 62 TYR H H 62 6.980 7.608 -0.628 1
1 543 . 3 1 1 A 62 62 TYR HA H 62 5.860 5.581 0.279 1
1 550 . 3 1 1 A 62 62 TYR C C 62 173.100 172.064 1.036 1
1 551 . 3 1 1 A 62 62 TYR CA C 62 55.000 56.060 -1.060 1
1 552 . 3 1 1 A 62 62 TYR CB C 62 43.000 41.140 1.860 1
1 557 . 3 1 1 A 62 62 TYR N N 62 112.300 116.231 -3.931 1
1 558 . 3 1 1 A 63 63 CYS H H 63 9.220 8.338 0.882 1
1 559 . 3 1 1 A 63 63 CYS HA H 63 4.280 4.567 -0.287 1
1 562 . 3 1 1 A 63 63 CYS C C 63 178.000 175.682 2.318 1
1 563 . 3 1 1 A 63 63 CYS CA C 63 59.900 57.090 2.810 1
1 564 . 3 1 1 A 63 63 CYS CB C 63 32.300 29.453 2.847 1
1 565 . 3 1 1 A 63 63 CYS N N 63 124.100 120.704 3.396 1
1 566 . 3 1 1 A 64 64 LYS H H 64 7.820 8.749 -0.929 1
1 567 . 3 1 1 A 64 64 LYS HA H 64 4.240 3.733 0.507 1
1 571 . 3 1 1 A 64 64 LYS C C 64 175.400 178.696 -3.296 1
1 572 . 3 1 1 A 64 64 LYS CA C 64 59.500 60.029 -0.529 1
1 573 . 3 1 1 A 64 64 LYS CB C 64 33.600 32.271 1.329 1
1 577 . 3 1 1 A 64 64 LYS N N 64 129.300 127.254 2.046 1
1 578 . 3 1 1 A 65 65 LYS H H 65 9.270 7.570 1.700 1
1 579 . 3 1 1 A 65 65 LYS HA H 65 4.250 4.108 0.142 1
1 586 . 3 1 1 A 65 65 LYS C C 65 176.300 178.986 -2.686 1
1 587 . 3 1 1 A 65 65 LYS CA C 65 58.500 58.642 -0.142 1
1 588 . 3 1 1 A 65 65 LYS CB C 65 33.700 32.250 1.450 1
1 592 . 3 1 1 A 65 65 LYS N N 65 122.500 120.086 2.414 1
1 593 . 3 1 1 A 66 66 CYS H H 66 9.190 7.865 1.325 1
1 594 . 3 1 1 A 66 66 CYS HA H 66 4.560 4.267 0.293 1
1 597 . 3 1 1 A 66 66 CYS C C 66 176.200 175.059 1.141 1
1 598 . 3 1 1 A 66 66 CYS CA C 66 59.700 63.543 -3.843 1
1 599 . 3 1 1 A 66 66 CYS CB C 66 32.200 27.749 4.451 1
1 600 . 3 1 1 A 66 66 CYS N N 66 121.200 117.538 3.662 1
1 601 . 3 1 1 A 67 67 HIS H H 67 7.700 7.799 -0.099 1
1 602 . 3 1 1 A 67 67 HIS HA H 67 4.850 4.322 0.528 1
1 604 . 3 1 1 A 67 67 HIS C C 67 171.000 173.860 -2.860 1
1 605 . 3 1 1 A 67 67 HIS CA C 67 56.200 57.192 -0.992 1
1 606 . 3 1 1 A 67 67 HIS CB C 67 26.800 26.861 -0.061 1
1 607 . 3 1 1 A 67 67 HIS N N 67 114.200 116.081 -1.881 1
1 608 . 3 1 1 A 68 68 ALA H H 68 8.720 7.682 1.038 1
1 609 . 3 1 1 A 68 68 ALA HA H 68 4.230 4.988 -0.758 1
1 613 . 3 1 1 A 68 68 ALA C C 68 177.800 176.324 1.476 1
1 614 . 3 1 1 A 68 68 ALA CA C 68 53.800 50.402 3.398 1
1 615 . 3 1 1 A 68 68 ALA CB C 68 19.800 22.685 -2.885 1
1 616 . 3 1 1 A 68 68 ALA N N 68 119.600 119.881 -0.281 1
1 617 . 3 1 1 A 69 69 PHE H H 69 8.500 8.834 -0.334 1
1 618 . 3 1 1 A 69 69 PHE HA H 69 4.590 4.993 -0.403 1
1 626 . 3 1 1 A 69 69 PHE C C 69 174.200 173.990 0.210 1
1 627 . 3 1 1 A 69 69 PHE CA C 69 58.300 59.607 -1.307 1
1 628 . 3 1 1 A 69 69 PHE CB C 69 40.900 39.000 1.900 1
1 634 . 3 1 1 A 69 69 PHE N N 69 122.200 121.111 1.089 1
1 635 . 3 1 1 A 70 70 LEU H H 70 7.550 9.214 -1.664 1
1 636 . 3 1 1 A 70 70 LEU HA H 70 4.540 5.349 -0.809 1
1 645 . 3 1 1 A 70 70 LEU C C 70 176.000 175.429 0.571 1
1 646 . 3 1 1 A 70 70 LEU CA C 70 53.700 53.832 -0.132 1
1 647 . 3 1 1 A 70 70 LEU CB C 70 43.600 44.020 -0.420 1
1 651 . 3 1 1 A 70 70 LEU N N 70 124.700 129.198 -4.498 1
1 652 . 3 1 1 A 71 71 VAL H H 71 9.700 8.916 0.784 1
1 653 . 3 1 1 A 71 71 VAL HA H 71 4.140 4.654 -0.514 1
1 661 . 3 1 1 A 71 71 VAL CA C 71 59.600 59.194 0.406 1
1 662 . 3 1 1 A 71 71 VAL CB C 71 34.000 36.097 -2.097 1
1 665 . 3 1 1 A 71 71 VAL N N 71 125.800 127.278 -1.478 1
1 666 . 3 1 1 A 72 72 PRO HA H 72 4.170 4.517 -0.347 1
1 673 . 3 1 1 A 72 72 PRO C C 72 176.200 177.351 -1.151 1
1 674 . 3 1 1 A 72 72 PRO CA C 72 64.100 63.715 0.385 1
1 675 . 3 1 1 A 72 72 PRO CB C 72 32.200 31.653 0.547 1
1 678 . 3 1 1 A 73 73 GLY H H 73 8.500 9.335 -0.835 1
1 679 . 3 1 1 A 73 73 GLY HA2 H 73 3.860 3.845 0.015 1
1 680 . 3 1 1 A 73 73 GLY HA3 H 73 4.550 3.848 0.702 1
1 681 . 3 1 1 A 73 73 GLY CA C 73 45.700 45.391 0.309 1
1 682 . 3 1 1 A 73 73 GLY N N 73 112.200 111.030 1.170 1
1 683 . 3 1 1 A 74 74 ILE H H 74 8.360 7.426 0.934 1
1 684 . 3 1 1 A 74 74 ILE HA H 74 4.580 4.038 0.542 1
1 694 . 3 1 1 A 74 74 ILE C C 74 175.700 177.256 -1.556 1
1 695 . 3 1 1 A 74 74 ILE CA C 74 62.700 62.941 -0.241 1
1 696 . 3 1 1 A 74 74 ILE CB C 74 38.400 38.154 0.246 1
1 700 . 3 1 1 A 74 74 ILE N N 74 120.200 120.436 -0.236 1
1 701 . 3 1 1 A 75 75 ASN H H 75 8.470 7.928 0.542 1
1 702 . 3 1 1 A 75 75 ASN HA H 75 4.970 4.655 0.315 1
1 706 . 3 1 1 A 75 75 ASN C C 75 172.900 174.496 -1.596 1
1 707 . 3 1 1 A 75 75 ASN CA C 75 52.600 52.825 -0.225 1
1 708 . 3 1 1 A 75 75 ASN CB C 75 38.600 38.365 0.235 1
1 709 . 3 1 1 A 75 75 ASN N N 75 116.400 115.711 0.689 1
1 711 . 3 1 1 A 76 76 ALA H H 76 7.250 7.582 -0.332 1
1 712 . 3 1 1 A 76 76 ALA HA H 76 5.510 5.258 0.252 1
1 716 . 3 1 1 A 76 76 ALA C C 76 176.200 174.982 1.218 1
1 717 . 3 1 1 A 76 76 ALA CA C 76 50.400 51.450 -1.050 1
1 718 . 3 1 1 A 76 76 ALA CB C 76 23.200 22.948 0.252 1
1 719 . 3 1 1 A 76 76 ALA N N 76 117.400 119.666 -2.266 1
1 720 . 3 1 1 A 77 77 ARG H H 77 8.850 8.687 0.163 1
1 721 . 3 1 1 A 77 77 ARG HA H 77 4.950 5.130 -0.180 1
1 728 . 3 1 1 A 77 77 ARG CA C 77 54.800 54.524 0.276 1
1 729 . 3 1 1 A 77 77 ARG CB C 77 33.700 34.127 -0.427 1
1 732 . 3 1 1 A 77 77 ARG N N 77 123.000 122.190 0.810 1
1 733 . 3 1 1 A 78 78 VAL H H 78 8.920 8.977 -0.057 1
1 734 . 3 1 1 A 78 78 VAL HA H 78 4.730 5.370 -0.640 1
1 742 . 3 1 1 A 78 78 VAL CA C 78 61.400 59.663 1.737 1
1 743 . 3 1 1 A 78 78 VAL CB C 78 34.400 34.597 -0.197 1
1 746 . 3 1 1 A 78 78 VAL N N 78 127.400 125.115 2.285 1
1 747 . 3 1 1 A 79 79 ARG H H 79 9.000 8.963 0.037 1
1 748 . 3 1 1 A 79 79 ARG HA H 79 4.750 5.073 -0.323 1
1 754 . 3 1 1 A 79 79 ARG CA C 79 54.400 54.419 -0.019 1
1 755 . 3 1 1 A 79 79 ARG CB C 79 34.300 33.572 0.728 1
1 758 . 3 1 1 A 79 79 ARG N N 79 126.400 129.866 -3.466 1
1 759 . 3 1 1 A 80 80 LEU H H 80 8.480 9.215 -0.735 1
1 760 . 3 1 1 A 80 80 LEU HA H 80 4.690 5.077 -0.387 1
1 770 . 3 1 1 A 80 80 LEU CA C 80 54.600 53.645 0.955 1
1 771 . 3 1 1 A 80 80 LEU CB C 80 43.500 43.047 0.453 1
1 775 . 3 1 1 A 80 80 LEU N N 80 124.700 128.306 -3.606 1
1 776 . 3 1 1 A 81 81 ARG H H 81 8.800 9.184 -0.384 1
1 777 . 3 1 1 A 81 81 ARG HA H 81 4.540 4.890 -0.350 1
1 781 . 3 1 1 A 81 81 ARG CA C 81 54.600 54.664 -0.064 1
1 782 . 3 1 1 A 81 81 ARG CB C 81 31.600 32.900 -1.300 1
1 785 . 3 1 1 A 81 81 ARG N N 81 126.100 124.617 1.483 1
1 786 . 3 1 1 A 86 86 PRO HA H 86 4.700 4.777 -0.077 1
1 792 . 3 1 1 A 86 86 PRO C C 86 176.400 175.934 0.466 1
1 793 . 3 1 1 A 86 86 PRO CA C 86 64.000 62.792 1.208 1
1 794 . 3 1 1 A 86 86 PRO CB C 86 32.600 32.464 0.136 1
1 796 . 3 1 1 A 87 87 HIS H H 87 8.560 8.041 0.519 1
1 797 . 3 1 1 A 87 87 HIS HA H 87 5.140 5.101 0.039 1
1 800 . 3 1 1 A 87 87 HIS C C 87 172.600 174.462 -1.862 1
1 801 . 3 1 1 A 87 87 HIS CA C 87 56.000 54.749 1.251 1
1 802 . 3 1 1 A 87 87 HIS CB C 87 32.400 33.871 -1.471 1
1 803 . 3 1 1 A 87 87 HIS N N 87 118.700 121.631 -2.931 1
1 804 . 3 1 1 A 88 88 ILE H H 88 9.250 8.655 0.595 1
1 805 . 3 1 1 A 88 88 ILE HA H 88 4.710 5.154 -0.444 1
1 815 . 3 1 1 A 88 88 ILE CA C 88 60.200 59.158 1.042 1
1 816 . 3 1 1 A 88 88 ILE CB C 88 40.600 42.032 -1.432 1
1 820 . 3 1 1 A 88 88 ILE N N 88 120.600 116.740 3.860 1
1 821 . 3 1 1 A 89 89 VAL H H 89 9.050 9.212 -0.162 1
1 822 . 3 1 1 A 89 89 VAL HA H 89 4.800 5.133 -0.333 1
1 830 . 3 1 1 A 89 89 VAL C C 89 175.000 174.728 0.272 1
1 831 . 3 1 1 A 89 89 VAL CA C 89 61.400 60.207 1.193 1
1 832 . 3 1 1 A 89 89 VAL CB C 89 34.400 34.261 0.139 1
1 835 . 3 1 1 A 90 90 VAL H H 90 9.340 9.685 -0.345 1
1 836 . 3 1 1 A 90 90 VAL HA H 90 5.160 5.265 -0.105 1
1 844 . 3 1 1 A 90 90 VAL C C 90 173.600 175.224 -1.624 1
1 845 . 3 1 1 A 90 90 VAL CA C 90 61.400 60.871 0.529 1
1 846 . 3 1 1 A 90 90 VAL CB C 90 34.100 34.507 -0.407 1
1 849 . 3 1 1 A 90 90 VAL N N 90 128.000 125.375 2.625 1
1 850 . 3 1 1 A 91 91 LYS H H 91 9.030 9.001 0.029 1
1 851 . 3 1 1 A 91 91 LYS HA H 91 5.160 5.392 -0.232 1
1 858 . 3 1 1 A 91 91 LYS C C 91 175.300 174.752 0.548 1
1 859 . 3 1 1 A 91 91 LYS CA C 91 54.100 54.415 -0.315 1
1 860 . 3 1 1 A 91 91 LYS CB C 91 36.600 35.989 0.611 1
1 864 . 3 1 1 A 91 91 LYS N N 91 128.100 124.523 3.577 1
1 865 . 3 1 1 A 92 92 CYS H H 92 9.050 8.744 0.306 1
1 866 . 3 1 1 A 92 92 CYS HA H 92 4.950 4.787 0.163 1
1 869 . 3 1 1 A 92 92 CYS C C 92 177.300 174.977 2.323 1
1 870 . 3 1 1 A 92 92 CYS CA C 92 59.600 57.632 1.968 1
1 871 . 3 1 1 A 92 92 CYS CB C 92 32.600 28.897 3.703 1
1 872 . 3 1 1 A 92 92 CYS N N 92 129.900 121.773 8.127 1
1 873 . 3 1 1 A 93 93 LEU H H 93 8.910 9.478 -0.568 1
1 874 . 3 1 1 A 93 93 LEU HA H 93 4.480 3.905 0.575 1
1 884 . 3 1 1 A 93 93 LEU C C 93 178.100 178.360 -0.260 1
1 885 . 3 1 1 A 93 93 LEU CA C 93 55.300 58.095 -2.795 1
1 886 . 3 1 1 A 93 93 LEU CB C 93 40.500 41.591 -1.091 1
1 890 . 3 1 1 A 93 93 LEU N N 93 127.300 126.901 0.399 1
1 891 . 3 1 1 A 94 94 GLU H H 94 9.460 8.284 1.176 1
1 892 . 3 1 1 A 94 94 GLU HA H 94 4.420 4.035 0.385 1
1 897 . 3 1 1 A 94 94 GLU C C 94 178.400 179.330 -0.930 1
1 898 . 3 1 1 A 94 94 GLU CA C 94 59.700 59.318 0.382 1
1 899 . 3 1 1 A 94 94 GLU CB C 94 29.900 29.549 0.351 1
1 901 . 3 1 1 A 94 94 GLU N N 94 122.900 118.204 4.696 1
1 902 . 3 1 1 A 95 95 CYS H H 95 9.110 7.808 1.302 1
1 903 . 3 1 1 A 95 95 CYS HA H 95 5.140 4.533 0.607 1
1 906 . 3 1 1 A 95 95 CYS C C 95 176.900 175.499 1.401 1
1 907 . 3 1 1 A 95 95 CYS CA C 95 58.900 59.715 -0.815 1
1 908 . 3 1 1 A 95 95 CYS CB C 95 33.600 27.952 5.648 1
1 909 . 3 1 1 A 95 95 CYS N N 95 119.200 116.079 3.121 1
1 910 . 3 1 1 A 96 96 GLY H H 96 8.000 8.635 -0.635 1
1 911 . 3 1 1 A 96 96 GLY HA2 H 96 3.850 3.619 0.231 1
1 912 . 3 1 1 A 96 96 GLY C C 96 174.100 173.191 0.909 1
1 913 . 3 1 1 A 96 96 GLY CA C 96 46.500 45.549 0.951 1
1 914 . 3 1 1 A 96 96 GLY N N 96 115.300 109.929 5.371 1
1 915 . 3 1 1 A 97 97 HIS H H 97 9.310 7.800 1.510 1
1 916 . 3 1 1 A 97 97 HIS HA H 97 4.500 5.016 -0.516 1
1 919 . 3 1 1 A 97 97 HIS C C 97 173.200 173.138 0.062 1
1 920 . 3 1 1 A 97 97 HIS CA C 97 58.600 54.778 3.822 1
1 921 . 3 1 1 A 97 97 HIS CB C 97 33.000 33.551 -0.551 1
1 922 . 3 1 1 A 97 97 HIS N N 97 125.300 117.237 8.063 1
1 923 . 3 1 1 A 98 98 ILE H H 98 6.890 9.004 -2.114 1
1 924 . 3 1 1 A 98 98 ILE HA H 98 4.760 4.887 -0.127 1
1 934 . 3 1 1 A 98 98 ILE C C 98 175.000 174.108 0.892 1
1 935 . 3 1 1 A 98 98 ILE CA C 98 60.000 60.198 -0.198 1
1 936 . 3 1 1 A 98 98 ILE CB C 98 40.200 40.297 -0.097 1
1 940 . 3 1 1 A 98 98 ILE N N 98 123.600 123.344 0.256 1
1 941 . 3 1 1 A 99 99 MET H H 99 9.050 9.726 -0.676 1
1 942 . 3 1 1 A 99 99 MET HA H 99 4.630 5.343 -0.713 1
1 950 . 3 1 1 A 99 99 MET C C 99 173.100 174.874 -1.774 1
1 951 . 3 1 1 A 99 99 MET CA C 99 54.400 54.083 0.317 1
1 952 . 3 1 1 A 99 99 MET CB C 99 37.900 36.335 1.565 1
1 955 . 3 1 1 A 99 99 MET N N 99 126.400 128.165 -1.765 1
1 956 . 3 1 1 A 100 100 ARG H H 100 7.930 8.979 -1.049 1
1 957 . 3 1 1 A 100 100 ARG HA H 100 5.370 4.917 0.453 1
1 963 . 3 1 1 A 100 100 ARG C C 100 175.200 175.079 0.121 1
1 964 . 3 1 1 A 100 100 ARG CA C 100 54.700 55.086 -0.386 1
1 965 . 3 1 1 A 100 100 ARG CB C 100 33.600 32.742 0.858 1
1 968 . 3 1 1 A 100 100 ARG N N 100 120.200 122.662 -2.462 1
1 969 . 3 1 1 A 101 101 TYR H H 101 9.110 8.935 0.175 1
1 970 . 3 1 1 A 101 101 TYR HA H 101 5.130 4.900 0.230 1
1 977 . 3 1 1 A 101 101 TYR CA C 101 55.300 54.979 0.321 1
1 978 . 3 1 1 A 101 101 TYR CB C 101 40.900 39.203 1.697 1
1 983 . 3 1 1 A 101 101 TYR N N 101 121.100 122.063 -0.963 1
1 1 . 4 1 1 A 18 18 ILE HA H 18 3.610 4.073 -0.463 1
1 11 . 4 1 1 A 18 18 ILE C C 18 176.800 177.581 -0.781 1
1 12 . 4 1 1 A 18 18 ILE CA C 18 66.700 63.122 3.578 1
1 13 . 4 1 1 A 18 18 ILE CB C 18 38.600 37.962 0.638 1
1 17 . 4 1 1 A 19 19 ASP H H 19 8.050 8.036 0.014 1
1 18 . 4 1 1 A 19 19 ASP HA H 19 4.580 4.551 0.029 1
1 21 . 4 1 1 A 19 19 ASP CA C 19 58.200 57.611 0.589 1
1 22 . 4 1 1 A 19 19 ASP CB C 19 42.500 40.429 2.071 1
1 23 . 4 1 1 A 19 19 ASP N N 19 119.100 121.457 -2.357 1
1 24 . 4 1 1 A 20 20 ILE H H 20 8.240 7.908 0.332 1
1 25 . 4 1 1 A 20 20 ILE HA H 20 3.730 3.743 -0.013 1
1 35 . 4 1 1 A 20 20 ILE CA C 20 65.000 65.535 -0.535 1
1 36 . 4 1 1 A 20 20 ILE CB C 20 38.300 37.814 0.486 1
1 40 . 4 1 1 A 20 20 ILE N N 20 120.400 120.352 0.048 1
1 41 . 4 1 1 A 21 21 LEU H H 21 7.870 8.225 -0.355 1
1 42 . 4 1 1 A 21 21 LEU HA H 21 4.440 4.086 0.354 1
1 49 . 4 1 1 A 21 21 LEU C C 21 178.700 178.905 -0.205 1
1 50 . 4 1 1 A 21 21 LEU CA C 21 59.800 58.098 1.702 1
1 51 . 4 1 1 A 21 21 LEU CB C 21 42.200 41.590 0.610 1
1 54 . 4 1 1 A 21 21 LEU N N 21 121.100 121.263 -0.163 1
1 55 . 4 1 1 A 22 22 PHE H H 22 7.820 9.020 -1.200 1
1 56 . 4 1 1 A 22 22 PHE HA H 22 3.480 4.248 -0.768 1
1 63 . 4 1 1 A 22 22 PHE C C 22 177.300 178.018 -0.718 1
1 64 . 4 1 1 A 22 22 PHE CA C 22 63.100 61.904 1.196 1
1 65 . 4 1 1 A 22 22 PHE CB C 22 36.400 39.220 -2.820 1
1 70 . 4 1 1 A 22 22 PHE N N 22 116.900 119.815 -2.915 1
1 71 . 4 1 1 A 23 23 SER H H 23 7.940 8.125 -0.185 1
1 72 . 4 1 1 A 23 23 SER HA H 23 4.520 4.126 0.394 1
1 75 . 4 1 1 A 23 23 SER C C 23 177.300 176.257 1.043 1
1 76 . 4 1 1 A 23 23 SER CA C 23 63.500 61.806 1.694 1
1 77 . 4 1 1 A 23 23 SER CB C 23 62.900 63.004 -0.104 1
1 78 . 4 1 1 A 23 23 SER N N 23 114.400 115.251 -0.851 1
1 79 . 4 1 1 A 24 24 LEU H H 24 8.050 7.820 0.230 1
1 80 . 4 1 1 A 24 24 LEU HA H 24 3.820 3.967 -0.147 1
1 89 . 4 1 1 A 24 24 LEU C C 24 178.200 178.828 -0.628 1
1 90 . 4 1 1 A 24 24 LEU CA C 24 58.100 57.444 0.656 1
1 91 . 4 1 1 A 24 24 LEU CB C 24 40.700 41.457 -0.757 1
1 95 . 4 1 1 A 24 24 LEU N N 24 124.700 121.332 3.368 1
1 96 . 4 1 1 A 25 25 ALA H H 25 7.590 8.597 -1.007 1
1 97 . 4 1 1 A 25 25 ALA HA H 25 3.820 3.959 -0.139 1
1 101 . 4 1 1 A 25 25 ALA C C 25 177.700 179.550 -1.850 1
1 102 . 4 1 1 A 25 25 ALA CA C 25 55.800 55.460 0.340 1
1 103 . 4 1 1 A 25 25 ALA CB C 25 18.400 18.218 0.182 1
1 104 . 4 1 1 A 25 25 ALA N N 25 122.400 122.011 0.389 1
1 105 . 4 1 1 A 26 26 GLU H H 26 7.690 7.954 -0.264 1
1 106 . 4 1 1 A 26 26 GLU HA H 26 4.270 3.795 0.475 1
1 111 . 4 1 1 A 26 26 GLU C C 26 178.600 178.807 -0.207 1
1 112 . 4 1 1 A 26 26 GLU CA C 26 60.000 58.933 1.067 1
1 113 . 4 1 1 A 26 26 GLU CB C 26 31.100 29.142 1.958 1
1 115 . 4 1 1 A 26 26 GLU N N 26 116.000 119.432 -3.432 1
1 116 . 4 1 1 A 27 27 ARG H H 27 7.670 7.691 -0.021 1
1 117 . 4 1 1 A 27 27 ARG HA H 27 4.190 4.004 0.186 1
1 122 . 4 1 1 A 27 27 ARG C C 27 178.400 179.284 -0.884 1
1 123 . 4 1 1 A 27 27 ARG CA C 27 58.800 59.356 -0.556 1
1 124 . 4 1 1 A 27 27 ARG CB C 27 30.700 30.292 0.408 1
1 127 . 4 1 1 A 27 27 ARG N N 27 116.700 118.978 -2.278 1
1 128 . 4 1 1 A 28 28 VAL H H 28 8.230 7.921 0.309 1
1 129 . 4 1 1 A 28 28 VAL HA H 28 4.530 3.815 0.715 1
1 137 . 4 1 1 A 28 28 VAL C C 28 176.500 178.080 -1.580 1
1 138 . 4 1 1 A 28 28 VAL CA C 28 62.600 65.082 -2.482 1
1 139 . 4 1 1 A 28 28 VAL CB C 28 33.000 31.424 1.576 1
1 142 . 4 1 1 A 28 28 VAL N N 28 112.600 119.572 -6.972 1
1 143 . 4 1 1 A 29 29 PHE H H 29 8.020 8.194 -0.174 1
1 144 . 4 1 1 A 29 29 PHE HA H 29 3.960 4.290 -0.330 1
1 151 . 4 1 1 A 29 29 PHE CA C 29 64.500 62.685 1.815 1
1 152 . 4 1 1 A 29 29 PHE CB C 29 37.300 36.839 0.461 1
1 157 . 4 1 1 A 29 29 PHE N N 29 124.600 122.511 2.089 1
1 158 . 4 1 1 A 30 30 PRO HA H 30 4.150 3.983 0.167 1
1 163 . 4 1 1 A 30 30 PRO C C 30 176.600 178.775 -2.175 1
1 164 . 4 1 1 A 30 30 PRO CA C 30 65.600 65.727 -0.127 1
1 165 . 4 1 1 A 30 30 PRO CB C 30 31.400 30.737 0.663 1
1 168 . 4 1 1 A 31 31 TYR H H 31 7.540 7.985 -0.445 1
1 169 . 4 1 1 A 31 31 TYR HA H 31 4.600 4.213 0.387 1
1 176 . 4 1 1 A 31 31 TYR C C 31 176.500 175.365 1.135 1
1 177 . 4 1 1 A 31 31 TYR CA C 31 58.300 61.505 -3.205 1
1 178 . 4 1 1 A 31 31 TYR CB C 31 39.400 39.214 0.186 1
1 183 . 4 1 1 A 31 31 TYR N N 31 113.500 119.055 -5.555 1
1 184 . 4 1 1 A 32 32 SER H H 32 8.210 8.421 -0.211 1
1 185 . 4 1 1 A 32 32 SER HA H 32 4.770 4.788 -0.018 1
1 188 . 4 1 1 A 32 32 SER CA C 32 55.700 55.766 -0.066 1
1 189 . 4 1 1 A 32 32 SER CB C 32 63.200 65.876 -2.676 1
1 190 . 4 1 1 A 32 32 SER N N 32 111.700 112.031 -0.331 1
1 191 . 4 1 1 A 33 33 PRO HA H 33 4.250 4.493 -0.243 1
1 195 . 4 1 1 A 33 33 PRO C C 33 179.000 179.040 -0.040 1
1 196 . 4 1 1 A 33 33 PRO CA C 33 65.400 65.452 -0.052 1
1 197 . 4 1 1 A 33 33 PRO CB C 33 33.000 31.833 1.167 1
1 200 . 4 1 1 A 34 34 GLU H H 34 8.390 8.301 0.089 1
1 201 . 4 1 1 A 34 34 GLU HA H 34 4.130 4.149 -0.019 1
1 204 . 4 1 1 A 34 34 GLU C C 34 178.700 179.595 -0.895 1
1 205 . 4 1 1 A 34 34 GLU CA C 34 59.900 59.415 0.485 1
1 206 . 4 1 1 A 34 34 GLU CB C 34 30.000 29.335 0.665 1
1 208 . 4 1 1 A 34 34 GLU N N 34 118.500 118.020 0.480 1
1 209 . 4 1 1 A 35 35 LEU H H 35 7.970 8.447 -0.477 1
1 210 . 4 1 1 A 35 35 LEU HA H 35 4.070 4.060 0.010 1
1 217 . 4 1 1 A 35 35 LEU CA C 35 57.400 58.106 -0.706 1
1 218 . 4 1 1 A 35 35 LEU CB C 35 42.200 41.802 0.398 1
1 221 . 4 1 1 A 35 35 LEU N N 35 122.000 120.717 1.283 1
1 222 . 4 1 1 A 36 36 ALA H H 36 7.860 8.487 -0.627 1
1 223 . 4 1 1 A 36 36 ALA HA H 36 4.040 4.228 -0.188 1
1 227 . 4 1 1 A 36 36 ALA C C 36 178.600 179.193 -0.593 1
1 228 . 4 1 1 A 36 36 ALA CA C 36 56.400 55.466 0.934 1
1 229 . 4 1 1 A 36 36 ALA CB C 36 19.500 18.618 0.882 1
1 230 . 4 1 1 A 36 36 ALA N N 36 121.000 121.968 -0.968 1
1 231 . 4 1 1 A 37 37 LYS H H 37 7.910 8.125 -0.215 1
1 232 . 4 1 1 A 37 37 LYS HA H 37 4.300 3.990 0.310 1
1 237 . 4 1 1 A 37 37 LYS C C 37 177.800 178.344 -0.544 1
1 238 . 4 1 1 A 37 37 LYS CA C 37 59.700 59.812 -0.112 1
1 239 . 4 1 1 A 37 37 LYS CB C 37 32.400 32.703 -0.303 1
1 243 . 4 1 1 A 37 37 LYS N N 37 117.700 118.299 -0.599 1
1 244 . 4 1 1 A 38 38 ARG H H 38 7.640 7.642 -0.002 1
1 245 . 4 1 1 A 38 38 ARG HA H 38 4.090 3.873 0.217 1
1 251 . 4 1 1 A 38 38 ARG C C 38 179.600 178.754 0.846 1
1 252 . 4 1 1 A 38 38 ARG CA C 38 59.300 59.123 0.177 1
1 253 . 4 1 1 A 38 38 ARG CB C 38 30.000 29.734 0.266 1
1 256 . 4 1 1 A 38 38 ARG N N 38 118.200 119.531 -1.331 1
1 257 . 4 1 1 A 39 39 TYR H H 39 7.860 8.087 -0.227 1
1 258 . 4 1 1 A 39 39 TYR HA H 39 4.290 4.402 -0.112 1
1 264 . 4 1 1 A 39 39 TYR C C 39 177.800 178.374 -0.574 1
1 265 . 4 1 1 A 39 39 TYR CA C 39 62.500 60.833 1.667 1
1 266 . 4 1 1 A 39 39 TYR CB C 39 38.300 37.723 0.577 1
1 271 . 4 1 1 A 39 39 TYR N N 39 119.200 119.660 -0.460 1
1 272 . 4 1 1 A 40 40 VAL H H 40 7.960 9.257 -1.297 1
1 273 . 4 1 1 A 40 40 VAL HA H 40 2.750 3.595 -0.845 1
1 281 . 4 1 1 A 40 40 VAL C C 40 177.800 177.394 0.406 1
1 282 . 4 1 1 A 40 40 VAL CA C 40 67.300 66.568 0.732 1
1 283 . 4 1 1 A 40 40 VAL CB C 40 31.400 31.319 0.081 1
1 286 . 4 1 1 A 40 40 VAL N N 40 120.800 120.179 0.621 1
1 287 . 4 1 1 A 41 41 GLU H H 41 8.660 7.896 0.764 1
1 288 . 4 1 1 A 41 41 GLU HA H 41 3.680 3.933 -0.253 1
1 291 . 4 1 1 A 41 41 GLU C C 41 179.900 179.124 0.776 1
1 292 . 4 1 1 A 41 41 GLU CA C 41 60.500 59.305 1.195 1
1 293 . 4 1 1 A 41 41 GLU CB C 41 29.400 29.601 -0.201 1
1 295 . 4 1 1 A 41 41 GLU N N 41 117.000 119.652 -2.652 1
1 296 . 4 1 1 A 42 42 LEU H H 42 7.960 7.879 0.081 1
1 297 . 4 1 1 A 42 42 LEU HA H 42 4.130 4.108 0.022 1
1 306 . 4 1 1 A 42 42 LEU C C 42 178.300 178.336 -0.036 1
1 307 . 4 1 1 A 42 42 LEU CA C 42 58.000 57.794 0.206 1
1 308 . 4 1 1 A 42 42 LEU CB C 42 42.300 41.379 0.921 1
1 312 . 4 1 1 A 42 42 LEU N N 42 120.300 121.907 -1.607 1
1 313 . 4 1 1 A 43 43 ALA H H 43 8.040 8.153 -0.113 1
1 314 . 4 1 1 A 43 43 ALA HA H 43 3.740 4.005 -0.265 1
1 318 . 4 1 1 A 43 43 ALA C C 43 179.400 179.953 -0.553 1
1 319 . 4 1 1 A 43 43 ALA CA C 43 55.700 55.329 0.371 1
1 320 . 4 1 1 A 43 43 ALA CB C 43 18.500 18.651 -0.151 1
1 321 . 4 1 1 A 43 43 ALA N N 43 123.600 121.067 2.533 1
1 322 . 4 1 1 A 44 44 LEU H H 44 8.340 8.117 0.223 1
1 323 . 4 1 1 A 44 44 LEU HA H 44 4.070 3.766 0.304 1
1 333 . 4 1 1 A 44 44 LEU C C 44 180.000 179.381 0.619 1
1 334 . 4 1 1 A 44 44 LEU CA C 44 57.500 57.624 -0.124 1
1 335 . 4 1 1 A 44 44 LEU CB C 44 40.800 41.639 -0.839 1
1 339 . 4 1 1 A 44 44 LEU N N 44 116.800 118.377 -1.577 1
1 340 . 4 1 1 A 45 45 LEU H H 45 7.860 8.239 -0.379 1
1 341 . 4 1 1 A 45 45 LEU HA H 45 4.170 3.976 0.194 1
1 351 . 4 1 1 A 45 45 LEU C C 45 179.600 178.887 0.713 1
1 352 . 4 1 1 A 45 45 LEU CA C 45 58.400 58.031 0.369 1
1 353 . 4 1 1 A 45 45 LEU CB C 45 42.200 41.852 0.348 1
1 357 . 4 1 1 A 45 45 LEU N N 45 122.600 118.750 3.850 1
1 358 . 4 1 1 A 46 46 VAL H H 46 8.070 8.262 -0.192 1
1 359 . 4 1 1 A 46 46 VAL HA H 46 3.610 3.485 0.125 1
1 367 . 4 1 1 A 46 46 VAL CA C 46 66.800 66.653 0.147 1
1 368 . 4 1 1 A 46 46 VAL CB C 46 31.600 31.218 0.382 1
1 370 . 4 1 1 A 46 46 VAL N N 46 120.100 119.107 0.993 1
1 371 . 4 1 1 A 47 47 GLN H H 47 8.360 8.107 0.253 1
1 372 . 4 1 1 A 47 47 GLN HA H 47 3.860 3.959 -0.099 1
1 378 . 4 1 1 A 47 47 GLN C C 47 178.000 177.987 0.013 1
1 379 . 4 1 1 A 47 47 GLN CA C 47 60.200 59.206 0.994 1
1 380 . 4 1 1 A 47 47 GLN CB C 47 27.800 28.347 -0.547 1
1 382 . 4 1 1 A 47 47 GLN N N 47 120.000 119.509 0.491 1
1 384 . 4 1 1 A 48 48 GLN H H 48 8.110 8.116 -0.006 1
1 385 . 4 1 1 A 48 48 GLN HA H 48 4.080 4.030 0.050 1
1 392 . 4 1 1 A 48 48 GLN C C 48 178.500 178.168 0.332 1
1 393 . 4 1 1 A 48 48 GLN CA C 48 58.900 58.744 0.156 1
1 394 . 4 1 1 A 48 48 GLN CB C 48 29.400 28.366 1.034 1
1 396 . 4 1 1 A 48 48 GLN N N 48 117.600 117.357 0.243 1
1 398 . 4 1 1 A 49 49 LYS H H 49 8.110 7.595 0.515 1
1 399 . 4 1 1 A 49 49 LYS HA H 49 4.190 4.026 0.164 1
1 405 . 4 1 1 A 49 49 LYS C C 49 177.800 179.265 -1.465 1
1 406 . 4 1 1 A 49 49 LYS CA C 49 58.600 59.256 -0.656 1
1 407 . 4 1 1 A 49 49 LYS CB C 49 33.000 32.139 0.861 1
1 411 . 4 1 1 A 49 49 LYS N N 49 118.100 119.522 -1.422 1
1 412 . 4 1 1 A 50 50 ALA H H 50 8.240 7.863 0.377 1
1 413 . 4 1 1 A 50 50 ALA HA H 50 4.460 4.311 0.149 1
1 417 . 4 1 1 A 50 50 ALA C C 50 176.700 177.153 -0.453 1
1 418 . 4 1 1 A 50 50 ALA CA C 50 52.700 52.567 0.133 1
1 419 . 4 1 1 A 50 50 ALA CB C 50 21.100 19.339 1.761 1
1 420 . 4 1 1 A 50 50 ALA N N 50 119.000 119.112 -0.112 1
1 421 . 4 1 1 A 51 51 LYS H H 51 8.000 7.676 0.324 1
1 422 . 4 1 1 A 51 51 LYS HA H 51 4.030 3.901 0.129 1
1 429 . 4 1 1 A 51 51 LYS C C 51 175.800 175.380 0.420 1
1 430 . 4 1 1 A 51 51 LYS CA C 51 57.500 57.367 0.133 1
1 431 . 4 1 1 A 51 51 LYS CB C 51 29.500 30.625 -1.125 1
1 435 . 4 1 1 A 51 51 LYS N N 51 114.500 117.328 -2.828 1
1 436 . 4 1 1 A 52 52 VAL H H 52 7.000 7.396 -0.396 1
1 437 . 4 1 1 A 52 52 VAL HA H 52 4.570 4.745 -0.175 1
1 445 . 4 1 1 A 52 52 VAL C C 52 175.000 174.736 0.264 1
1 446 . 4 1 1 A 52 52 VAL CA C 52 59.600 60.013 -0.413 1
1 447 . 4 1 1 A 52 52 VAL CB C 52 34.900 34.595 0.305 1
1 450 . 4 1 1 A 52 52 VAL N N 52 111.600 114.719 -3.119 1
1 451 . 4 1 1 A 53 53 LYS H H 53 8.150 8.687 -0.537 1
1 452 . 4 1 1 A 53 53 LYS HA H 53 4.510 4.578 -0.068 1
1 454 . 4 1 1 A 53 53 LYS C C 53 176.800 175.743 1.057 1
1 455 . 4 1 1 A 53 53 LYS CA C 53 55.700 56.448 -0.748 1
1 456 . 4 1 1 A 53 53 LYS CB C 53 34.000 33.302 0.698 1
1 457 . 4 1 1 A 53 53 LYS N N 53 120.800 124.516 -3.716 1
1 458 . 4 1 1 A 54 54 ILE H H 54 8.370 8.545 -0.175 1
1 459 . 4 1 1 A 54 54 ILE HA H 54 4.530 4.720 -0.190 1
1 469 . 4 1 1 A 54 54 ILE CA C 54 58.700 57.961 0.739 1
1 470 . 4 1 1 A 54 54 ILE CB C 54 38.400 39.727 -1.327 1
1 474 . 4 1 1 A 54 54 ILE N N 54 122.500 123.807 -1.307 1
1 475 . 4 1 1 A 57 57 LYS HA H 57 3.780 3.818 -0.038 1
1 484 . 4 1 1 A 57 57 LYS C C 57 176.300 177.839 -1.539 1
1 485 . 4 1 1 A 57 57 LYS CA C 57 59.000 58.727 0.273 1
1 486 . 4 1 1 A 57 57 LYS CB C 57 32.300 31.738 0.562 1
1 490 . 4 1 1 A 58 58 TRP H H 58 7.250 7.256 -0.006 1
1 491 . 4 1 1 A 58 58 TRP HA H 58 4.850 4.345 0.505 1
1 500 . 4 1 1 A 58 58 TRP C C 58 176.800 178.110 -1.310 1
1 501 . 4 1 1 A 58 58 TRP CA C 58 55.400 58.452 -3.052 1
1 502 . 4 1 1 A 58 58 TRP CB C 58 31.300 30.685 0.615 1
1 508 . 4 1 1 A 58 58 TRP N N 58 116.300 118.360 -2.060 1
1 510 . 4 1 1 A 59 59 LYS H H 59 7.310 8.031 -0.721 1
1 511 . 4 1 1 A 59 59 LYS HA H 59 3.960 3.451 0.509 1
1 517 . 4 1 1 A 59 59 LYS CA C 59 60.600 59.611 0.989 1
1 518 . 4 1 1 A 59 59 LYS CB C 59 33.500 32.016 1.484 1
1 522 . 4 1 1 A 59 59 LYS N N 59 118.600 121.397 -2.797 1
1 523 . 4 1 1 A 60 60 ARG HA H 60 4.540 4.402 0.138 1
1 528 . 4 1 1 A 60 60 ARG C C 60 177.200 177.415 -0.215 1
1 529 . 4 1 1 A 60 60 ARG CA C 60 55.400 56.166 -0.766 1
1 530 . 4 1 1 A 60 60 ARG CB C 60 30.400 30.521 -0.121 1
1 533 . 4 1 1 A 61 61 ARG H H 61 7.620 7.433 0.187 1
1 534 . 4 1 1 A 61 61 ARG HA H 61 4.250 4.504 -0.254 1
1 537 . 4 1 1 A 61 61 ARG C C 61 172.300 174.764 -2.464 1
1 538 . 4 1 1 A 61 61 ARG CA C 61 54.400 55.387 -0.987 1
1 539 . 4 1 1 A 61 61 ARG CB C 61 27.900 30.381 -2.481 1
1 541 . 4 1 1 A 61 61 ARG N N 61 116.000 116.956 -0.956 1
1 542 . 4 1 1 A 62 62 TYR H H 62 6.980 7.809 -0.829 1
1 543 . 4 1 1 A 62 62 TYR HA H 62 5.860 5.588 0.272 1
1 550 . 4 1 1 A 62 62 TYR C C 62 173.100 173.434 -0.334 1
1 551 . 4 1 1 A 62 62 TYR CA C 62 55.000 55.809 -0.809 1
1 552 . 4 1 1 A 62 62 TYR CB C 62 43.000 41.403 1.597 1
1 557 . 4 1 1 A 62 62 TYR N N 62 112.300 116.274 -3.974 1
1 558 . 4 1 1 A 63 63 CYS H H 63 9.220 8.518 0.702 1
1 559 . 4 1 1 A 63 63 CYS HA H 63 4.280 4.579 -0.299 1
1 562 . 4 1 1 A 63 63 CYS C C 63 178.000 175.190 2.810 1
1 563 . 4 1 1 A 63 63 CYS CA C 63 59.900 59.158 0.742 1
1 564 . 4 1 1 A 63 63 CYS CB C 63 32.300 27.863 4.437 1
1 565 . 4 1 1 A 63 63 CYS N N 63 124.100 119.970 4.130 1
1 566 . 4 1 1 A 64 64 LYS H H 64 7.820 8.615 -0.795 1
1 567 . 4 1 1 A 64 64 LYS HA H 64 4.240 3.605 0.635 1
1 571 . 4 1 1 A 64 64 LYS C C 64 175.400 177.354 -1.954 1
1 572 . 4 1 1 A 64 64 LYS CA C 64 59.500 59.654 -0.154 1
1 573 . 4 1 1 A 64 64 LYS CB C 64 33.600 32.026 1.574 1
1 577 . 4 1 1 A 64 64 LYS N N 64 129.300 125.643 3.657 1
1 578 . 4 1 1 A 65 65 LYS H H 65 9.270 7.679 1.591 1
1 579 . 4 1 1 A 65 65 LYS HA H 65 4.250 3.919 0.331 1
1 586 . 4 1 1 A 65 65 LYS C C 65 176.300 178.603 -2.303 1
1 587 . 4 1 1 A 65 65 LYS CA C 65 58.500 59.012 -0.512 1
1 588 . 4 1 1 A 65 65 LYS CB C 65 33.700 32.498 1.202 1
1 592 . 4 1 1 A 65 65 LYS N N 65 122.500 118.133 4.367 1
1 593 . 4 1 1 A 66 66 CYS H H 66 9.190 7.698 1.492 1
1 594 . 4 1 1 A 66 66 CYS HA H 66 4.560 4.435 0.125 1
1 597 . 4 1 1 A 66 66 CYS C C 66 176.200 174.840 1.360 1
1 598 . 4 1 1 A 66 66 CYS CA C 66 59.700 62.107 -2.407 1
1 599 . 4 1 1 A 66 66 CYS CB C 66 32.200 28.146 4.054 1
1 600 . 4 1 1 A 66 66 CYS N N 66 121.200 117.448 3.752 1
1 601 . 4 1 1 A 67 67 HIS H H 67 7.700 7.766 -0.066 1
1 602 . 4 1 1 A 67 67 HIS HA H 67 4.850 3.982 0.868 1
1 604 . 4 1 1 A 67 67 HIS C C 67 171.000 174.425 -3.425 1
1 605 . 4 1 1 A 67 67 HIS CA C 67 56.200 57.195 -0.995 1
1 606 . 4 1 1 A 67 67 HIS CB C 67 26.800 26.602 0.198 1
1 607 . 4 1 1 A 67 67 HIS N N 67 114.200 115.607 -1.407 1
1 608 . 4 1 1 A 68 68 ALA H H 68 8.720 7.820 0.900 1
1 609 . 4 1 1 A 68 68 ALA HA H 68 4.230 4.372 -0.142 1
1 613 . 4 1 1 A 68 68 ALA C C 68 177.800 176.885 0.915 1
1 614 . 4 1 1 A 68 68 ALA CA C 68 53.800 52.608 1.192 1
1 615 . 4 1 1 A 68 68 ALA CB C 68 19.800 19.864 -0.064 1
1 616 . 4 1 1 A 68 68 ALA N N 68 119.600 122.342 -2.742 1
1 617 . 4 1 1 A 69 69 PHE H H 69 8.500 8.637 -0.137 1
1 618 . 4 1 1 A 69 69 PHE HA H 69 4.590 5.058 -0.468 1
1 626 . 4 1 1 A 69 69 PHE C C 69 174.200 174.490 -0.290 1
1 627 . 4 1 1 A 69 69 PHE CA C 69 58.300 59.531 -1.231 1
1 628 . 4 1 1 A 69 69 PHE CB C 69 40.900 38.999 1.901 1
1 634 . 4 1 1 A 69 69 PHE N N 69 122.200 122.477 -0.277 1
1 635 . 4 1 1 A 70 70 LEU H H 70 7.550 9.667 -2.117 1
1 636 . 4 1 1 A 70 70 LEU HA H 70 4.540 5.172 -0.632 1
1 645 . 4 1 1 A 70 70 LEU C C 70 176.000 176.232 -0.232 1
1 646 . 4 1 1 A 70 70 LEU CA C 70 53.700 54.048 -0.348 1
1 647 . 4 1 1 A 70 70 LEU CB C 70 43.600 41.938 1.662 1
1 651 . 4 1 1 A 70 70 LEU N N 70 124.700 127.616 -2.916 1
1 652 . 4 1 1 A 71 71 VAL H H 71 9.700 8.915 0.785 1
1 653 . 4 1 1 A 71 71 VAL HA H 71 4.140 4.723 -0.583 1
1 661 . 4 1 1 A 71 71 VAL CA C 71 59.600 59.502 0.098 1
1 662 . 4 1 1 A 71 71 VAL CB C 71 34.000 35.828 -1.828 1
1 665 . 4 1 1 A 71 71 VAL N N 71 125.800 125.024 0.776 1
1 666 . 4 1 1 A 72 72 PRO HA H 72 4.170 4.540 -0.370 1
1 673 . 4 1 1 A 72 72 PRO C C 72 176.200 177.318 -1.118 1
1 674 . 4 1 1 A 72 72 PRO CA C 72 64.100 63.722 0.378 1
1 675 . 4 1 1 A 72 72 PRO CB C 72 32.200 31.657 0.543 1
1 678 . 4 1 1 A 73 73 GLY H H 73 8.500 9.647 -1.147 1
1 679 . 4 1 1 A 73 73 GLY HA2 H 73 3.860 3.843 0.017 1
1 680 . 4 1 1 A 73 73 GLY HA3 H 73 4.550 3.865 0.685 1
1 681 . 4 1 1 A 73 73 GLY CA C 73 45.700 45.332 0.368 1
1 682 . 4 1 1 A 73 73 GLY N N 73 112.200 111.077 1.123 1
1 683 . 4 1 1 A 74 74 ILE H H 74 8.360 7.388 0.972 1
1 684 . 4 1 1 A 74 74 ILE HA H 74 4.580 4.089 0.491 1
1 694 . 4 1 1 A 74 74 ILE C C 74 175.700 177.530 -1.830 1
1 695 . 4 1 1 A 74 74 ILE CA C 74 62.700 62.872 -0.172 1
1 696 . 4 1 1 A 74 74 ILE CB C 74 38.400 38.181 0.219 1
1 700 . 4 1 1 A 74 74 ILE N N 74 120.200 120.100 0.100 1
1 701 . 4 1 1 A 75 75 ASN H H 75 8.470 8.375 0.095 1
1 702 . 4 1 1 A 75 75 ASN HA H 75 4.970 4.905 0.065 1
1 706 . 4 1 1 A 75 75 ASN C C 75 172.900 174.620 -1.720 1
1 707 . 4 1 1 A 75 75 ASN CA C 75 52.600 52.750 -0.150 1
1 708 . 4 1 1 A 75 75 ASN CB C 75 38.600 38.783 -0.183 1
1 709 . 4 1 1 A 75 75 ASN N N 75 116.400 115.484 0.916 1
1 711 . 4 1 1 A 76 76 ALA H H 76 7.250 7.721 -0.471 1
1 712 . 4 1 1 A 76 76 ALA HA H 76 5.510 5.326 0.184 1
1 716 . 4 1 1 A 76 76 ALA C C 76 176.200 175.011 1.189 1
1 717 . 4 1 1 A 76 76 ALA CA C 76 50.400 51.517 -1.117 1
1 718 . 4 1 1 A 76 76 ALA CB C 76 23.200 23.047 0.153 1
1 719 . 4 1 1 A 76 76 ALA N N 76 117.400 119.844 -2.444 1
1 720 . 4 1 1 A 77 77 ARG H H 77 8.850 8.838 0.012 1
1 721 . 4 1 1 A 77 77 ARG HA H 77 4.950 5.163 -0.213 1
1 728 . 4 1 1 A 77 77 ARG CA C 77 54.800 54.509 0.291 1
1 729 . 4 1 1 A 77 77 ARG CB C 77 33.700 34.154 -0.454 1
1 732 . 4 1 1 A 77 77 ARG N N 77 123.000 122.485 0.515 1
1 733 . 4 1 1 A 78 78 VAL H H 78 8.920 9.012 -0.092 1
1 734 . 4 1 1 A 78 78 VAL HA H 78 4.730 5.296 -0.566 1
1 742 . 4 1 1 A 78 78 VAL CA C 78 61.400 59.692 1.708 1
1 743 . 4 1 1 A 78 78 VAL CB C 78 34.400 34.419 -0.019 1
1 746 . 4 1 1 A 78 78 VAL N N 78 127.400 124.782 2.618 1
1 747 . 4 1 1 A 79 79 ARG H H 79 9.000 8.677 0.323 1
1 748 . 4 1 1 A 79 79 ARG HA H 79 4.750 4.804 -0.054 1
1 754 . 4 1 1 A 79 79 ARG CA C 79 54.400 55.240 -0.840 1
1 755 . 4 1 1 A 79 79 ARG CB C 79 34.300 32.297 2.003 1
1 758 . 4 1 1 A 79 79 ARG N N 79 126.400 127.943 -1.543 1
1 759 . 4 1 1 A 80 80 LEU H H 80 8.480 9.177 -0.697 1
1 760 . 4 1 1 A 80 80 LEU HA H 80 4.690 4.943 -0.253 1
1 770 . 4 1 1 A 80 80 LEU CA C 80 54.600 53.438 1.162 1
1 771 . 4 1 1 A 80 80 LEU CB C 80 43.500 43.308 0.192 1
1 775 . 4 1 1 A 80 80 LEU N N 80 124.700 124.906 -0.206 1
1 776 . 4 1 1 A 81 81 ARG H H 81 8.800 8.832 -0.032 1
1 777 . 4 1 1 A 81 81 ARG HA H 81 4.540 4.773 -0.233 1
1 781 . 4 1 1 A 81 81 ARG CA C 81 54.600 54.268 0.332 1
1 782 . 4 1 1 A 81 81 ARG CB C 81 31.600 32.622 -1.022 1
1 785 . 4 1 1 A 81 81 ARG N N 81 126.100 124.118 1.982 1
1 786 . 4 1 1 A 86 86 PRO HA H 86 4.700 4.970 -0.270 1
1 792 . 4 1 1 A 86 86 PRO C C 86 176.400 176.607 -0.207 1
1 793 . 4 1 1 A 86 86 PRO CA C 86 64.000 62.859 1.141 1
1 794 . 4 1 1 A 86 86 PRO CB C 86 32.600 32.518 0.082 1
1 796 . 4 1 1 A 87 87 HIS H H 87 8.560 8.615 -0.055 1
1 797 . 4 1 1 A 87 87 HIS HA H 87 5.140 5.315 -0.175 1
1 800 . 4 1 1 A 87 87 HIS C C 87 172.600 172.694 -0.094 1
1 801 . 4 1 1 A 87 87 HIS CA C 87 56.000 54.561 1.439 1
1 802 . 4 1 1 A 87 87 HIS CB C 87 32.400 32.480 -0.080 1
1 803 . 4 1 1 A 87 87 HIS N N 87 118.700 117.159 1.541 1
1 804 . 4 1 1 A 88 88 ILE H H 88 9.250 9.109 0.141 1
1 805 . 4 1 1 A 88 88 ILE HA H 88 4.710 5.146 -0.436 1
1 815 . 4 1 1 A 88 88 ILE CA C 88 60.200 59.245 0.955 1
1 816 . 4 1 1 A 88 88 ILE CB C 88 40.600 42.068 -1.468 1
1 820 . 4 1 1 A 88 88 ILE N N 88 120.600 117.828 2.772 1
1 821 . 4 1 1 A 89 89 VAL H H 89 9.050 9.052 -0.002 1
1 822 . 4 1 1 A 89 89 VAL HA H 89 4.800 5.144 -0.344 1
1 830 . 4 1 1 A 89 89 VAL C C 89 175.000 174.700 0.300 1
1 831 . 4 1 1 A 89 89 VAL CA C 89 61.400 60.094 1.306 1
1 832 . 4 1 1 A 89 89 VAL CB C 89 34.400 34.309 0.091 1
1 835 . 4 1 1 A 90 90 VAL H H 90 9.340 9.989 -0.649 1
1 836 . 4 1 1 A 90 90 VAL HA H 90 5.160 5.365 -0.205 1
1 844 . 4 1 1 A 90 90 VAL C C 90 173.600 175.224 -1.624 1
1 845 . 4 1 1 A 90 90 VAL CA C 90 61.400 60.880 0.520 1
1 846 . 4 1 1 A 90 90 VAL CB C 90 34.100 34.574 -0.474 1
1 849 . 4 1 1 A 90 90 VAL N N 90 128.000 125.459 2.541 1
1 850 . 4 1 1 A 91 91 LYS H H 91 9.030 9.032 -0.002 1
1 851 . 4 1 1 A 91 91 LYS HA H 91 5.160 5.286 -0.126 1
1 858 . 4 1 1 A 91 91 LYS C C 91 175.300 174.489 0.811 1
1 859 . 4 1 1 A 91 91 LYS CA C 91 54.100 54.480 -0.380 1
1 860 . 4 1 1 A 91 91 LYS CB C 91 36.600 35.875 0.725 1
1 864 . 4 1 1 A 91 91 LYS N N 91 128.100 124.626 3.474 1
1 865 . 4 1 1 A 92 92 CYS H H 92 9.050 8.274 0.776 1
1 866 . 4 1 1 A 92 92 CYS HA H 92 4.950 5.404 -0.454 1
1 869 . 4 1 1 A 92 92 CYS C C 92 177.300 175.220 2.080 1
1 870 . 4 1 1 A 92 92 CYS CA C 92 59.600 57.017 2.583 1
1 871 . 4 1 1 A 92 92 CYS CB C 92 32.600 30.662 1.938 1
1 872 . 4 1 1 A 92 92 CYS N N 92 129.900 121.151 8.749 1
1 873 . 4 1 1 A 93 93 LEU H H 93 8.910 9.265 -0.355 1
1 874 . 4 1 1 A 93 93 LEU HA H 93 4.480 3.946 0.534 1
1 884 . 4 1 1 A 93 93 LEU C C 93 178.100 178.410 -0.310 1
1 885 . 4 1 1 A 93 93 LEU CA C 93 55.300 58.255 -2.955 1
1 886 . 4 1 1 A 93 93 LEU CB C 93 40.500 41.479 -0.979 1
1 890 . 4 1 1 A 93 93 LEU N N 93 127.300 129.099 -1.799 1
1 891 . 4 1 1 A 94 94 GLU H H 94 9.460 7.827 1.633 1
1 892 . 4 1 1 A 94 94 GLU HA H 94 4.420 3.986 0.434 1
1 897 . 4 1 1 A 94 94 GLU C C 94 178.400 178.978 -0.578 1
1 898 . 4 1 1 A 94 94 GLU CA C 94 59.700 59.544 0.156 1
1 899 . 4 1 1 A 94 94 GLU CB C 94 29.900 29.221 0.679 1
1 901 . 4 1 1 A 94 94 GLU N N 94 122.900 118.390 4.510 1
1 902 . 4 1 1 A 95 95 CYS H H 95 9.110 7.462 1.648 1
1 903 . 4 1 1 A 95 95 CYS HA H 95 5.140 4.409 0.731 1
1 906 . 4 1 1 A 95 95 CYS C C 95 176.900 175.719 1.181 1
1 907 . 4 1 1 A 95 95 CYS CA C 95 58.900 59.963 -1.063 1
1 908 . 4 1 1 A 95 95 CYS CB C 95 33.600 28.805 4.795 1
1 909 . 4 1 1 A 95 95 CYS N N 95 119.200 115.312 3.888 1
1 910 . 4 1 1 A 96 96 GLY H H 96 8.000 8.634 -0.634 1
1 911 . 4 1 1 A 96 96 GLY HA2 H 96 3.850 3.565 0.285 1
1 912 . 4 1 1 A 96 96 GLY C C 96 174.100 173.257 0.843 1
1 913 . 4 1 1 A 96 96 GLY CA C 96 46.500 45.562 0.938 1
1 914 . 4 1 1 A 96 96 GLY N N 96 115.300 110.732 4.568 1
1 915 . 4 1 1 A 97 97 HIS H H 97 9.310 7.374 1.936 1
1 916 . 4 1 1 A 97 97 HIS HA H 97 4.500 5.072 -0.572 1
1 919 . 4 1 1 A 97 97 HIS C C 97 173.200 173.692 -0.492 1
1 920 . 4 1 1 A 97 97 HIS CA C 97 58.600 54.611 3.989 1
1 921 . 4 1 1 A 97 97 HIS CB C 97 33.000 33.783 -0.783 1
1 922 . 4 1 1 A 97 97 HIS N N 97 125.300 116.945 8.355 1
1 923 . 4 1 1 A 98 98 ILE H H 98 6.890 8.792 -1.902 1
1 924 . 4 1 1 A 98 98 ILE HA H 98 4.760 4.721 0.039 1
1 934 . 4 1 1 A 98 98 ILE C C 98 175.000 173.999 1.001 1
1 935 . 4 1 1 A 98 98 ILE CA C 98 60.000 60.534 -0.534 1
1 936 . 4 1 1 A 98 98 ILE CB C 98 40.200 40.422 -0.222 1
1 940 . 4 1 1 A 98 98 ILE N N 98 123.600 123.622 -0.022 1
1 941 . 4 1 1 A 99 99 MET H H 99 9.050 9.778 -0.728 1
1 942 . 4 1 1 A 99 99 MET HA H 99 4.630 5.414 -0.784 1
1 950 . 4 1 1 A 99 99 MET C C 99 173.100 174.655 -1.555 1
1 951 . 4 1 1 A 99 99 MET CA C 99 54.400 53.937 0.463 1
1 952 . 4 1 1 A 99 99 MET CB C 99 37.900 35.064 2.836 1
1 955 . 4 1 1 A 99 99 MET N N 99 126.400 128.023 -1.623 1
1 956 . 4 1 1 A 100 100 ARG H H 100 7.930 8.935 -1.005 1
1 957 . 4 1 1 A 100 100 ARG HA H 100 5.370 4.974 0.396 1
1 963 . 4 1 1 A 100 100 ARG C C 100 175.200 174.397 0.803 1
1 964 . 4 1 1 A 100 100 ARG CA C 100 54.700 55.097 -0.397 1
1 965 . 4 1 1 A 100 100 ARG CB C 100 33.600 33.240 0.360 1
1 968 . 4 1 1 A 100 100 ARG N N 100 120.200 123.634 -3.434 1
1 969 . 4 1 1 A 101 101 TYR H H 101 9.110 9.099 0.011 1
1 970 . 4 1 1 A 101 101 TYR HA H 101 5.130 5.147 -0.017 1
1 977 . 4 1 1 A 101 101 TYR CA C 101 55.300 55.664 -0.364 1
1 978 . 4 1 1 A 101 101 TYR CB C 101 40.900 40.441 0.459 1
1 983 . 4 1 1 A 101 101 TYR N N 101 121.100 125.024 -3.924 1
1 1 . 5 1 1 A 18 18 ILE HA H 18 3.610 4.050 -0.440 1
1 11 . 5 1 1 A 18 18 ILE C C 18 176.800 177.679 -0.879 1
1 12 . 5 1 1 A 18 18 ILE CA C 18 66.700 62.842 3.858 1
1 13 . 5 1 1 A 18 18 ILE CB C 18 38.600 37.826 0.774 1
1 17 . 5 1 1 A 19 19 ASP H H 19 8.050 7.662 0.388 1
1 18 . 5 1 1 A 19 19 ASP HA H 19 4.580 4.605 -0.025 1
1 21 . 5 1 1 A 19 19 ASP CA C 19 58.200 57.664 0.536 1
1 22 . 5 1 1 A 19 19 ASP CB C 19 42.500 40.311 2.189 1
1 23 . 5 1 1 A 19 19 ASP N N 19 119.100 121.343 -2.243 1
1 24 . 5 1 1 A 20 20 ILE H H 20 8.240 7.464 0.776 1
1 25 . 5 1 1 A 20 20 ILE HA H 20 3.730 3.746 -0.016 1
1 35 . 5 1 1 A 20 20 ILE CA C 20 65.000 65.451 -0.451 1
1 36 . 5 1 1 A 20 20 ILE CB C 20 38.300 37.690 0.610 1
1 40 . 5 1 1 A 20 20 ILE N N 20 120.400 120.374 0.026 1
1 41 . 5 1 1 A 21 21 LEU H H 21 7.870 7.942 -0.072 1
1 42 . 5 1 1 A 21 21 LEU HA H 21 4.440 4.007 0.433 1
1 49 . 5 1 1 A 21 21 LEU C C 21 178.700 179.392 -0.692 1
1 50 . 5 1 1 A 21 21 LEU CA C 21 59.800 58.183 1.617 1
1 51 . 5 1 1 A 21 21 LEU CB C 21 42.200 41.911 0.289 1
1 54 . 5 1 1 A 21 21 LEU N N 21 121.100 119.140 1.960 1
1 55 . 5 1 1 A 22 22 PHE H H 22 7.820 8.591 -0.771 1
1 56 . 5 1 1 A 22 22 PHE HA H 22 3.480 4.361 -0.881 1
1 63 . 5 1 1 A 22 22 PHE C C 22 177.300 177.668 -0.368 1
1 64 . 5 1 1 A 22 22 PHE CA C 22 63.100 62.047 1.053 1
1 65 . 5 1 1 A 22 22 PHE CB C 22 36.400 39.253 -2.853 1
1 70 . 5 1 1 A 22 22 PHE N N 22 116.900 119.773 -2.873 1
1 71 . 5 1 1 A 23 23 SER H H 23 7.940 8.475 -0.535 1
1 72 . 5 1 1 A 23 23 SER HA H 23 4.520 4.250 0.270 1
1 75 . 5 1 1 A 23 23 SER C C 23 177.300 177.770 -0.470 1
1 76 . 5 1 1 A 23 23 SER CA C 23 63.500 61.726 1.774 1
1 77 . 5 1 1 A 23 23 SER CB C 23 62.900 62.422 0.478 1
1 78 . 5 1 1 A 23 23 SER N N 23 114.400 114.086 0.314 1
1 79 . 5 1 1 A 24 24 LEU H H 24 8.050 7.872 0.178 1
1 80 . 5 1 1 A 24 24 LEU HA H 24 3.820 4.032 -0.212 1
1 89 . 5 1 1 A 24 24 LEU C C 24 178.200 178.848 -0.648 1
1 90 . 5 1 1 A 24 24 LEU CA C 24 58.100 57.402 0.698 1
1 91 . 5 1 1 A 24 24 LEU CB C 24 40.700 41.469 -0.769 1
1 95 . 5 1 1 A 24 24 LEU N N 24 124.700 122.309 2.391 1
1 96 . 5 1 1 A 25 25 ALA H H 25 7.590 8.905 -1.315 1
1 97 . 5 1 1 A 25 25 ALA HA H 25 3.820 4.026 -0.206 1
1 101 . 5 1 1 A 25 25 ALA C C 25 177.700 179.386 -1.686 1
1 102 . 5 1 1 A 25 25 ALA CA C 25 55.800 55.590 0.210 1
1 103 . 5 1 1 A 25 25 ALA CB C 25 18.400 18.211 0.189 1
1 104 . 5 1 1 A 25 25 ALA N N 25 122.400 122.092 0.308 1
1 105 . 5 1 1 A 26 26 GLU H H 26 7.690 7.871 -0.181 1
1 106 . 5 1 1 A 26 26 GLU HA H 26 4.270 3.435 0.835 1
1 111 . 5 1 1 A 26 26 GLU C C 26 178.600 178.420 0.180 1
1 112 . 5 1 1 A 26 26 GLU CA C 26 60.000 58.801 1.199 1
1 113 . 5 1 1 A 26 26 GLU CB C 26 31.100 28.908 2.192 1
1 115 . 5 1 1 A 26 26 GLU N N 26 116.000 118.944 -2.944 1
1 116 . 5 1 1 A 27 27 ARG H H 27 7.670 7.642 0.028 1
1 117 . 5 1 1 A 27 27 ARG HA H 27 4.190 4.114 0.076 1
1 122 . 5 1 1 A 27 27 ARG C C 27 178.400 178.374 0.026 1
1 123 . 5 1 1 A 27 27 ARG CA C 27 58.800 58.696 0.104 1
1 124 . 5 1 1 A 27 27 ARG CB C 27 30.700 29.892 0.808 1
1 127 . 5 1 1 A 27 27 ARG N N 27 116.700 120.503 -3.803 1
1 128 . 5 1 1 A 28 28 VAL H H 28 8.230 8.065 0.165 1
1 129 . 5 1 1 A 28 28 VAL HA H 28 4.530 3.943 0.587 1
1 137 . 5 1 1 A 28 28 VAL C C 28 176.500 178.116 -1.616 1
1 138 . 5 1 1 A 28 28 VAL CA C 28 62.600 65.171 -2.571 1
1 139 . 5 1 1 A 28 28 VAL CB C 28 33.000 31.378 1.622 1
1 142 . 5 1 1 A 28 28 VAL N N 28 112.600 118.664 -6.064 1
1 143 . 5 1 1 A 29 29 PHE H H 29 8.020 8.115 -0.095 1
1 144 . 5 1 1 A 29 29 PHE HA H 29 3.960 4.275 -0.315 1
1 151 . 5 1 1 A 29 29 PHE CA C 29 64.500 62.700 1.800 1
1 152 . 5 1 1 A 29 29 PHE CB C 29 37.300 36.819 0.481 1
1 157 . 5 1 1 A 29 29 PHE N N 29 124.600 122.482 2.118 1
1 158 . 5 1 1 A 30 30 PRO HA H 30 4.150 3.852 0.298 1
1 163 . 5 1 1 A 30 30 PRO C C 30 176.600 178.438 -1.838 1
1 164 . 5 1 1 A 30 30 PRO CA C 30 65.600 65.531 0.069 1
1 165 . 5 1 1 A 30 30 PRO CB C 30 31.400 30.587 0.813 1
1 168 . 5 1 1 A 31 31 TYR H H 31 7.540 8.462 -0.922 1
1 169 . 5 1 1 A 31 31 TYR HA H 31 4.600 4.290 0.310 1
1 176 . 5 1 1 A 31 31 TYR C C 31 176.500 176.148 0.352 1
1 177 . 5 1 1 A 31 31 TYR CA C 31 58.300 60.837 -2.537 1
1 178 . 5 1 1 A 31 31 TYR CB C 31 39.400 38.203 1.197 1
1 183 . 5 1 1 A 31 31 TYR N N 31 113.500 117.818 -4.318 1
1 184 . 5 1 1 A 32 32 SER H H 32 8.210 8.367 -0.157 1
1 185 . 5 1 1 A 32 32 SER HA H 32 4.770 4.896 -0.126 1
1 188 . 5 1 1 A 32 32 SER CA C 32 55.700 55.873 -0.173 1
1 189 . 5 1 1 A 32 32 SER CB C 32 63.200 66.091 -2.891 1
1 190 . 5 1 1 A 32 32 SER N N 32 111.700 113.334 -1.634 1
1 191 . 5 1 1 A 33 33 PRO HA H 33 4.250 4.523 -0.273 1
1 195 . 5 1 1 A 33 33 PRO C C 33 179.000 179.001 -0.001 1
1 196 . 5 1 1 A 33 33 PRO CA C 33 65.400 65.489 -0.089 1
1 197 . 5 1 1 A 33 33 PRO CB C 33 33.000 31.785 1.215 1
1 200 . 5 1 1 A 34 34 GLU H H 34 8.390 8.262 0.128 1
1 201 . 5 1 1 A 34 34 GLU HA H 34 4.130 4.142 -0.012 1
1 204 . 5 1 1 A 34 34 GLU C C 34 178.700 179.545 -0.845 1
1 205 . 5 1 1 A 34 34 GLU CA C 34 59.900 59.399 0.501 1
1 206 . 5 1 1 A 34 34 GLU CB C 34 30.000 29.300 0.700 1
1 208 . 5 1 1 A 34 34 GLU N N 34 118.500 117.884 0.616 1
1 209 . 5 1 1 A 35 35 LEU H H 35 7.970 8.404 -0.434 1
1 210 . 5 1 1 A 35 35 LEU HA H 35 4.070 4.010 0.060 1
1 217 . 5 1 1 A 35 35 LEU CA C 35 57.400 58.089 -0.689 1
1 218 . 5 1 1 A 35 35 LEU CB C 35 42.200 41.891 0.309 1
1 221 . 5 1 1 A 35 35 LEU N N 35 122.000 120.357 1.643 1
1 222 . 5 1 1 A 36 36 ALA H H 36 7.860 8.413 -0.553 1
1 223 . 5 1 1 A 36 36 ALA HA H 36 4.040 4.249 -0.209 1
1 227 . 5 1 1 A 36 36 ALA C C 36 178.600 179.154 -0.554 1
1 228 . 5 1 1 A 36 36 ALA CA C 36 56.400 55.422 0.978 1
1 229 . 5 1 1 A 36 36 ALA CB C 36 19.500 18.597 0.903 1
1 230 . 5 1 1 A 36 36 ALA N N 36 121.000 121.877 -0.877 1
1 231 . 5 1 1 A 37 37 LYS H H 37 7.910 8.146 -0.236 1
1 232 . 5 1 1 A 37 37 LYS HA H 37 4.300 4.041 0.259 1
1 237 . 5 1 1 A 37 37 LYS C C 37 177.800 178.915 -1.115 1
1 238 . 5 1 1 A 37 37 LYS CA C 37 59.700 59.804 -0.104 1
1 239 . 5 1 1 A 37 37 LYS CB C 37 32.400 32.689 -0.289 1
1 243 . 5 1 1 A 37 37 LYS N N 37 117.700 118.282 -0.582 1
1 244 . 5 1 1 A 38 38 ARG H H 38 7.640 7.619 0.021 1
1 245 . 5 1 1 A 38 38 ARG HA H 38 4.090 3.970 0.120 1
1 251 . 5 1 1 A 38 38 ARG C C 38 179.600 178.722 0.878 1
1 252 . 5 1 1 A 38 38 ARG CA C 38 59.300 59.594 -0.294 1
1 253 . 5 1 1 A 38 38 ARG CB C 38 30.000 29.667 0.333 1
1 256 . 5 1 1 A 38 38 ARG N N 38 118.200 118.479 -0.279 1
1 257 . 5 1 1 A 39 39 TYR H H 39 7.860 8.037 -0.177 1
1 258 . 5 1 1 A 39 39 TYR HA H 39 4.290 4.392 -0.102 1
1 264 . 5 1 1 A 39 39 TYR C C 39 177.800 178.516 -0.716 1
1 265 . 5 1 1 A 39 39 TYR CA C 39 62.500 60.390 2.110 1
1 266 . 5 1 1 A 39 39 TYR CB C 39 38.300 37.773 0.527 1
1 271 . 5 1 1 A 39 39 TYR N N 39 119.200 119.814 -0.614 1
1 272 . 5 1 1 A 40 40 VAL H H 40 7.960 8.661 -0.701 1
1 273 . 5 1 1 A 40 40 VAL HA H 40 2.750 3.442 -0.692 1
1 281 . 5 1 1 A 40 40 VAL C C 40 177.800 178.275 -0.475 1
1 282 . 5 1 1 A 40 40 VAL CA C 40 67.300 66.431 0.869 1
1 283 . 5 1 1 A 40 40 VAL CB C 40 31.400 31.348 0.052 1
1 286 . 5 1 1 A 40 40 VAL N N 40 120.800 119.696 1.104 1
1 287 . 5 1 1 A 41 41 GLU H H 41 8.660 7.894 0.766 1
1 288 . 5 1 1 A 41 41 GLU HA H 41 3.680 3.961 -0.281 1
1 291 . 5 1 1 A 41 41 GLU C C 41 179.900 178.495 1.405 1
1 292 . 5 1 1 A 41 41 GLU CA C 41 60.500 58.771 1.729 1
1 293 . 5 1 1 A 41 41 GLU CB C 41 29.400 29.442 -0.042 1
1 295 . 5 1 1 A 41 41 GLU N N 41 117.000 120.450 -3.450 1
1 296 . 5 1 1 A 42 42 LEU H H 42 7.960 7.802 0.158 1
1 297 . 5 1 1 A 42 42 LEU HA H 42 4.130 4.087 0.043 1
1 306 . 5 1 1 A 42 42 LEU C C 42 178.300 178.223 0.077 1
1 307 . 5 1 1 A 42 42 LEU CA C 42 58.000 57.776 0.224 1
1 308 . 5 1 1 A 42 42 LEU CB C 42 42.300 41.382 0.918 1
1 312 . 5 1 1 A 42 42 LEU N N 42 120.300 121.282 -0.982 1
1 313 . 5 1 1 A 43 43 ALA H H 43 8.040 7.654 0.386 1
1 314 . 5 1 1 A 43 43 ALA HA H 43 3.740 3.898 -0.158 1
1 318 . 5 1 1 A 43 43 ALA C C 43 179.400 179.871 -0.471 1
1 319 . 5 1 1 A 43 43 ALA CA C 43 55.700 55.240 0.460 1
1 320 . 5 1 1 A 43 43 ALA CB C 43 18.500 18.419 0.081 1
1 321 . 5 1 1 A 43 43 ALA N N 43 123.600 120.991 2.609 1
1 322 . 5 1 1 A 44 44 LEU H H 44 8.340 7.995 0.345 1
1 323 . 5 1 1 A 44 44 LEU HA H 44 4.070 3.668 0.402 1
1 333 . 5 1 1 A 44 44 LEU C C 44 180.000 179.211 0.789 1
1 334 . 5 1 1 A 44 44 LEU CA C 44 57.500 57.528 -0.028 1
1 335 . 5 1 1 A 44 44 LEU CB C 44 40.800 41.542 -0.742 1
1 339 . 5 1 1 A 44 44 LEU N N 44 116.800 118.168 -1.368 1
1 340 . 5 1 1 A 45 45 LEU H H 45 7.860 7.902 -0.042 1
1 341 . 5 1 1 A 45 45 LEU HA H 45 4.170 3.865 0.305 1
1 351 . 5 1 1 A 45 45 LEU C C 45 179.600 178.494 1.106 1
1 352 . 5 1 1 A 45 45 LEU CA C 45 58.400 58.034 0.366 1
1 353 . 5 1 1 A 45 45 LEU CB C 45 42.200 41.190 1.010 1
1 357 . 5 1 1 A 45 45 LEU N N 45 122.600 120.164 2.436 1
1 358 . 5 1 1 A 46 46 VAL H H 46 8.070 8.148 -0.078 1
1 359 . 5 1 1 A 46 46 VAL HA H 46 3.610 3.455 0.155 1
1 367 . 5 1 1 A 46 46 VAL CA C 46 66.800 66.565 0.235 1
1 368 . 5 1 1 A 46 46 VAL CB C 46 31.600 31.157 0.443 1
1 370 . 5 1 1 A 46 46 VAL N N 46 120.100 118.874 1.226 1
1 371 . 5 1 1 A 47 47 GLN H H 47 8.360 8.158 0.202 1
1 372 . 5 1 1 A 47 47 GLN HA H 47 3.860 3.924 -0.064 1
1 378 . 5 1 1 A 47 47 GLN C C 47 178.000 177.958 0.042 1
1 379 . 5 1 1 A 47 47 GLN CA C 47 60.200 59.218 0.982 1
1 380 . 5 1 1 A 47 47 GLN CB C 47 27.800 28.198 -0.398 1
1 382 . 5 1 1 A 47 47 GLN N N 47 120.000 119.444 0.556 1
1 384 . 5 1 1 A 48 48 GLN H H 48 8.110 8.062 0.048 1
1 385 . 5 1 1 A 48 48 GLN HA H 48 4.080 4.014 0.066 1
1 392 . 5 1 1 A 48 48 GLN C C 48 178.500 178.188 0.312 1
1 393 . 5 1 1 A 48 48 GLN CA C 48 58.900 58.743 0.157 1
1 394 . 5 1 1 A 48 48 GLN CB C 48 29.400 28.311 1.089 1
1 396 . 5 1 1 A 48 48 GLN N N 48 117.600 117.319 0.281 1
1 398 . 5 1 1 A 49 49 LYS H H 49 8.110 7.580 0.530 1
1 399 . 5 1 1 A 49 49 LYS HA H 49 4.190 4.004 0.186 1
1 405 . 5 1 1 A 49 49 LYS C C 49 177.800 179.288 -1.488 1
1 406 . 5 1 1 A 49 49 LYS CA C 49 58.600 59.236 -0.636 1
1 407 . 5 1 1 A 49 49 LYS CB C 49 33.000 32.129 0.871 1
1 411 . 5 1 1 A 49 49 LYS N N 49 118.100 119.377 -1.277 1
1 412 . 5 1 1 A 50 50 ALA H H 50 8.240 8.183 0.057 1
1 413 . 5 1 1 A 50 50 ALA HA H 50 4.460 4.306 0.154 1
1 417 . 5 1 1 A 50 50 ALA C C 50 176.700 177.206 -0.506 1
1 418 . 5 1 1 A 50 50 ALA CA C 50 52.700 52.549 0.151 1
1 419 . 5 1 1 A 50 50 ALA CB C 50 21.100 19.323 1.777 1
1 420 . 5 1 1 A 50 50 ALA N N 50 119.000 119.076 -0.076 1
1 421 . 5 1 1 A 51 51 LYS H H 51 8.000 7.822 0.178 1
1 422 . 5 1 1 A 51 51 LYS HA H 51 4.030 3.952 0.078 1
1 429 . 5 1 1 A 51 51 LYS C C 51 175.800 175.377 0.423 1
1 430 . 5 1 1 A 51 51 LYS CA C 51 57.500 57.165 0.335 1
1 431 . 5 1 1 A 51 51 LYS CB C 51 29.500 30.918 -1.418 1
1 435 . 5 1 1 A 51 51 LYS N N 51 114.500 117.529 -3.029 1
1 436 . 5 1 1 A 52 52 VAL H H 52 7.000 7.340 -0.340 1
1 437 . 5 1 1 A 52 52 VAL HA H 52 4.570 4.815 -0.245 1
1 445 . 5 1 1 A 52 52 VAL C C 52 175.000 174.365 0.635 1
1 446 . 5 1 1 A 52 52 VAL CA C 52 59.600 59.994 -0.394 1
1 447 . 5 1 1 A 52 52 VAL CB C 52 34.900 34.528 0.372 1
1 450 . 5 1 1 A 52 52 VAL N N 52 111.600 114.908 -3.308 1
1 451 . 5 1 1 A 53 53 LYS H H 53 8.150 8.931 -0.781 1
1 452 . 5 1 1 A 53 53 LYS HA H 53 4.510 4.916 -0.406 1
1 454 . 5 1 1 A 53 53 LYS C C 53 176.800 175.876 0.924 1
1 455 . 5 1 1 A 53 53 LYS CA C 53 55.700 55.587 0.113 1
1 456 . 5 1 1 A 53 53 LYS CB C 53 34.000 33.898 0.102 1
1 457 . 5 1 1 A 53 53 LYS N N 53 120.800 124.091 -3.291 1
1 458 . 5 1 1 A 54 54 ILE H H 54 8.370 8.458 -0.088 1
1 459 . 5 1 1 A 54 54 ILE HA H 54 4.530 4.773 -0.243 1
1 469 . 5 1 1 A 54 54 ILE CA C 54 58.700 57.832 0.868 1
1 470 . 5 1 1 A 54 54 ILE CB C 54 38.400 39.678 -1.278 1
1 474 . 5 1 1 A 54 54 ILE N N 54 122.500 120.639 1.861 1
1 475 . 5 1 1 A 57 57 LYS HA H 57 3.780 3.845 -0.065 1
1 484 . 5 1 1 A 57 57 LYS C C 57 176.300 178.058 -1.758 1
1 485 . 5 1 1 A 57 57 LYS CA C 57 59.000 58.797 0.203 1
1 486 . 5 1 1 A 57 57 LYS CB C 57 32.300 31.898 0.402 1
1 490 . 5 1 1 A 58 58 TRP H H 58 7.250 7.381 -0.131 1
1 491 . 5 1 1 A 58 58 TRP HA H 58 4.850 4.553 0.297 1
1 500 . 5 1 1 A 58 58 TRP C C 58 176.800 178.742 -1.942 1
1 501 . 5 1 1 A 58 58 TRP CA C 58 55.400 58.670 -3.270 1
1 502 . 5 1 1 A 58 58 TRP CB C 58 31.300 30.769 0.531 1
1 508 . 5 1 1 A 58 58 TRP N N 58 116.300 118.789 -2.489 1
1 510 . 5 1 1 A 59 59 LYS H H 59 7.310 8.410 -1.100 1
1 511 . 5 1 1 A 59 59 LYS HA H 59 3.960 4.019 -0.059 1
1 517 . 5 1 1 A 59 59 LYS CA C 59 60.600 60.044 0.556 1
1 518 . 5 1 1 A 59 59 LYS CB C 59 33.500 32.465 1.035 1
1 522 . 5 1 1 A 59 59 LYS N N 59 118.600 121.955 -3.355 1
1 523 . 5 1 1 A 60 60 ARG HA H 60 4.540 4.243 0.297 1
1 528 . 5 1 1 A 60 60 ARG C C 60 177.200 177.956 -0.756 1
1 529 . 5 1 1 A 60 60 ARG CA C 60 55.400 58.181 -2.781 1
1 530 . 5 1 1 A 60 60 ARG CB C 60 30.400 30.438 -0.038 1
1 533 . 5 1 1 A 61 61 ARG H H 61 7.620 7.431 0.189 1
1 534 . 5 1 1 A 61 61 ARG HA H 61 4.250 4.187 0.063 1
1 537 . 5 1 1 A 61 61 ARG C C 61 172.300 174.855 -2.555 1
1 538 . 5 1 1 A 61 61 ARG CA C 61 54.400 55.740 -1.340 1
1 539 . 5 1 1 A 61 61 ARG CB C 61 27.900 30.438 -2.538 1
1 541 . 5 1 1 A 61 61 ARG N N 61 116.000 116.923 -0.923 1
1 542 . 5 1 1 A 62 62 TYR H H 62 6.980 7.682 -0.702 1
1 543 . 5 1 1 A 62 62 TYR HA H 62 5.860 5.264 0.596 1
1 550 . 5 1 1 A 62 62 TYR C C 62 173.100 172.441 0.659 1
1 551 . 5 1 1 A 62 62 TYR CA C 62 55.000 55.969 -0.969 1
1 552 . 5 1 1 A 62 62 TYR CB C 62 43.000 41.213 1.787 1
1 557 . 5 1 1 A 62 62 TYR N N 62 112.300 116.409 -4.109 1
1 558 . 5 1 1 A 63 63 CYS H H 63 9.220 8.212 1.008 1
1 559 . 5 1 1 A 63 63 CYS HA H 63 4.280 4.380 -0.100 1
1 562 . 5 1 1 A 63 63 CYS C C 63 178.000 175.285 2.715 1
1 563 . 5 1 1 A 63 63 CYS CA C 63 59.900 58.236 1.664 1
1 564 . 5 1 1 A 63 63 CYS CB C 63 32.300 28.550 3.750 1
1 565 . 5 1 1 A 63 63 CYS N N 63 124.100 120.449 3.651 1
1 566 . 5 1 1 A 64 64 LYS H H 64 7.820 8.633 -0.813 1
1 567 . 5 1 1 A 64 64 LYS HA H 64 4.240 3.786 0.454 1
1 571 . 5 1 1 A 64 64 LYS C C 64 175.400 177.670 -2.270 1
1 572 . 5 1 1 A 64 64 LYS CA C 64 59.500 59.672 -0.172 1
1 573 . 5 1 1 A 64 64 LYS CB C 64 33.600 32.152 1.448 1
1 577 . 5 1 1 A 64 64 LYS N N 64 129.300 127.031 2.269 1
1 578 . 5 1 1 A 65 65 LYS H H 65 9.270 7.649 1.621 1
1 579 . 5 1 1 A 65 65 LYS HA H 65 4.250 4.089 0.161 1
1 586 . 5 1 1 A 65 65 LYS C C 65 176.300 178.927 -2.627 1
1 587 . 5 1 1 A 65 65 LYS CA C 65 58.500 58.248 0.252 1
1 588 . 5 1 1 A 65 65 LYS CB C 65 33.700 32.750 0.950 1
1 592 . 5 1 1 A 65 65 LYS N N 65 122.500 118.326 4.174 1
1 593 . 5 1 1 A 66 66 CYS H H 66 9.190 7.834 1.356 1
1 594 . 5 1 1 A 66 66 CYS HA H 66 4.560 4.119 0.441 1
1 597 . 5 1 1 A 66 66 CYS C C 66 176.200 174.872 1.328 1
1 598 . 5 1 1 A 66 66 CYS CA C 66 59.700 63.502 -3.802 1
1 599 . 5 1 1 A 66 66 CYS CB C 66 32.200 27.703 4.497 1
1 600 . 5 1 1 A 66 66 CYS N N 66 121.200 117.744 3.456 1
1 601 . 5 1 1 A 67 67 HIS H H 67 7.700 7.726 -0.026 1
1 602 . 5 1 1 A 67 67 HIS HA H 67 4.850 4.327 0.523 1
1 604 . 5 1 1 A 67 67 HIS C C 67 171.000 173.849 -2.849 1
1 605 . 5 1 1 A 67 67 HIS CA C 67 56.200 57.179 -0.979 1
1 606 . 5 1 1 A 67 67 HIS CB C 67 26.800 26.864 -0.064 1
1 607 . 5 1 1 A 67 67 HIS N N 67 114.200 115.866 -1.666 1
1 608 . 5 1 1 A 68 68 ALA H H 68 8.720 7.690 1.030 1
1 609 . 5 1 1 A 68 68 ALA HA H 68 4.230 4.989 -0.759 1
1 613 . 5 1 1 A 68 68 ALA C C 68 177.800 175.890 1.910 1
1 614 . 5 1 1 A 68 68 ALA CA C 68 53.800 50.254 3.546 1
1 615 . 5 1 1 A 68 68 ALA CB C 68 19.800 22.707 -2.907 1
1 616 . 5 1 1 A 68 68 ALA N N 68 119.600 119.914 -0.314 1
1 617 . 5 1 1 A 69 69 PHE H H 69 8.500 8.839 -0.339 1
1 618 . 5 1 1 A 69 69 PHE HA H 69 4.590 4.972 -0.382 1
1 626 . 5 1 1 A 69 69 PHE C C 69 174.200 173.755 0.445 1
1 627 . 5 1 1 A 69 69 PHE CA C 69 58.300 59.133 -0.833 1
1 628 . 5 1 1 A 69 69 PHE CB C 69 40.900 39.299 1.601 1
1 634 . 5 1 1 A 69 69 PHE N N 69 122.200 121.905 0.295 1
1 635 . 5 1 1 A 70 70 LEU H H 70 7.550 9.300 -1.750 1
1 636 . 5 1 1 A 70 70 LEU HA H 70 4.540 5.223 -0.683 1
1 645 . 5 1 1 A 70 70 LEU C C 70 176.000 175.254 0.746 1
1 646 . 5 1 1 A 70 70 LEU CA C 70 53.700 53.621 0.079 1
1 647 . 5 1 1 A 70 70 LEU CB C 70 43.600 44.763 -1.163 1
1 651 . 5 1 1 A 70 70 LEU N N 70 124.700 129.055 -4.355 1
1 652 . 5 1 1 A 71 71 VAL H H 71 9.700 9.236 0.464 1
1 653 . 5 1 1 A 71 71 VAL HA H 71 4.140 4.696 -0.556 1
1 661 . 5 1 1 A 71 71 VAL CA C 71 59.600 58.958 0.642 1
1 662 . 5 1 1 A 71 71 VAL CB C 71 34.000 35.965 -1.965 1
1 665 . 5 1 1 A 71 71 VAL N N 71 125.800 127.081 -1.281 1
1 666 . 5 1 1 A 72 72 PRO HA H 72 4.170 4.341 -0.171 1
1 673 . 5 1 1 A 72 72 PRO C C 72 176.200 177.334 -1.134 1
1 674 . 5 1 1 A 72 72 PRO CA C 72 64.100 63.726 0.374 1
1 675 . 5 1 1 A 72 72 PRO CB C 72 32.200 31.643 0.557 1
1 678 . 5 1 1 A 73 73 GLY H H 73 8.500 9.296 -0.796 1
1 679 . 5 1 1 A 73 73 GLY HA2 H 73 3.860 3.846 0.014 1
1 680 . 5 1 1 A 73 73 GLY HA3 H 73 4.550 3.862 0.688 1
1 681 . 5 1 1 A 73 73 GLY CA C 73 45.700 45.366 0.334 1
1 682 . 5 1 1 A 73 73 GLY N N 73 112.200 111.083 1.117 1
1 683 . 5 1 1 A 74 74 ILE H H 74 8.360 7.441 0.919 1
1 684 . 5 1 1 A 74 74 ILE HA H 74 4.580 4.093 0.487 1
1 694 . 5 1 1 A 74 74 ILE C C 74 175.700 177.522 -1.822 1
1 695 . 5 1 1 A 74 74 ILE CA C 74 62.700 62.923 -0.223 1
1 696 . 5 1 1 A 74 74 ILE CB C 74 38.400 38.294 0.106 1
1 700 . 5 1 1 A 74 74 ILE N N 74 120.200 120.249 -0.049 1
1 701 . 5 1 1 A 75 75 ASN H H 75 8.470 8.483 -0.013 1
1 702 . 5 1 1 A 75 75 ASN HA H 75 4.970 4.912 0.058 1
1 706 . 5 1 1 A 75 75 ASN C C 75 172.900 174.595 -1.695 1
1 707 . 5 1 1 A 75 75 ASN CA C 75 52.600 52.814 -0.214 1
1 708 . 5 1 1 A 75 75 ASN CB C 75 38.600 38.617 -0.017 1
1 709 . 5 1 1 A 75 75 ASN N N 75 116.400 115.534 0.866 1
1 711 . 5 1 1 A 76 76 ALA H H 76 7.250 7.722 -0.472 1
1 712 . 5 1 1 A 76 76 ALA HA H 76 5.510 5.176 0.334 1
1 716 . 5 1 1 A 76 76 ALA C C 76 176.200 175.094 1.106 1
1 717 . 5 1 1 A 76 76 ALA CA C 76 50.400 51.551 -1.151 1
1 718 . 5 1 1 A 76 76 ALA CB C 76 23.200 22.976 0.224 1
1 719 . 5 1 1 A 76 76 ALA N N 76 117.400 119.679 -2.279 1
1 720 . 5 1 1 A 77 77 ARG H H 77 8.850 8.908 -0.058 1
1 721 . 5 1 1 A 77 77 ARG HA H 77 4.950 5.176 -0.226 1
1 728 . 5 1 1 A 77 77 ARG CA C 77 54.800 54.578 0.222 1
1 729 . 5 1 1 A 77 77 ARG CB C 77 33.700 34.044 -0.344 1
1 732 . 5 1 1 A 77 77 ARG N N 77 123.000 121.807 1.193 1
1 733 . 5 1 1 A 78 78 VAL H H 78 8.920 9.039 -0.119 1
1 734 . 5 1 1 A 78 78 VAL HA H 78 4.730 5.263 -0.533 1
1 742 . 5 1 1 A 78 78 VAL CA C 78 61.400 59.680 1.720 1
1 743 . 5 1 1 A 78 78 VAL CB C 78 34.400 34.336 0.064 1
1 746 . 5 1 1 A 78 78 VAL N N 78 127.400 124.594 2.806 1
1 747 . 5 1 1 A 79 79 ARG H H 79 9.000 8.799 0.201 1
1 748 . 5 1 1 A 79 79 ARG HA H 79 4.750 4.814 -0.064 1
1 754 . 5 1 1 A 79 79 ARG CA C 79 54.400 55.186 -0.786 1
1 755 . 5 1 1 A 79 79 ARG CB C 79 34.300 32.249 2.051 1
1 758 . 5 1 1 A 79 79 ARG N N 79 126.400 127.935 -1.535 1
1 759 . 5 1 1 A 80 80 LEU H H 80 8.480 9.207 -0.727 1
1 760 . 5 1 1 A 80 80 LEU HA H 80 4.690 4.953 -0.263 1
1 770 . 5 1 1 A 80 80 LEU CA C 80 54.600 53.528 1.072 1
1 771 . 5 1 1 A 80 80 LEU CB C 80 43.500 43.430 0.070 1
1 775 . 5 1 1 A 80 80 LEU N N 80 124.700 125.379 -0.679 1
1 776 . 5 1 1 A 81 81 ARG H H 81 8.800 8.755 0.045 1
1 777 . 5 1 1 A 81 81 ARG HA H 81 4.540 4.784 -0.244 1
1 781 . 5 1 1 A 81 81 ARG CA C 81 54.600 54.286 0.314 1
1 782 . 5 1 1 A 81 81 ARG CB C 81 31.600 32.818 -1.218 1
1 785 . 5 1 1 A 81 81 ARG N N 81 126.100 124.102 1.998 1
1 786 . 5 1 1 A 86 86 PRO HA H 86 4.700 4.980 -0.280 1
1 792 . 5 1 1 A 86 86 PRO C C 86 176.400 176.576 -0.176 1
1 793 . 5 1 1 A 86 86 PRO CA C 86 64.000 62.863 1.137 1
1 794 . 5 1 1 A 86 86 PRO CB C 86 32.600 32.565 0.035 1
1 796 . 5 1 1 A 87 87 HIS H H 87 8.560 8.552 0.008 1
1 797 . 5 1 1 A 87 87 HIS HA H 87 5.140 5.215 -0.075 1
1 800 . 5 1 1 A 87 87 HIS C C 87 172.600 172.597 0.003 1
1 801 . 5 1 1 A 87 87 HIS CA C 87 56.000 54.511 1.489 1
1 802 . 5 1 1 A 87 87 HIS CB C 87 32.400 32.437 -0.037 1
1 803 . 5 1 1 A 87 87 HIS N N 87 118.700 117.128 1.572 1
1 804 . 5 1 1 A 88 88 ILE H H 88 9.250 8.967 0.283 1
1 805 . 5 1 1 A 88 88 ILE HA H 88 4.710 5.123 -0.413 1
1 815 . 5 1 1 A 88 88 ILE CA C 88 60.200 59.316 0.884 1
1 816 . 5 1 1 A 88 88 ILE CB C 88 40.600 42.075 -1.475 1
1 820 . 5 1 1 A 88 88 ILE N N 88 120.600 117.753 2.847 1
1 821 . 5 1 1 A 89 89 VAL H H 89 9.050 8.994 0.056 1
1 822 . 5 1 1 A 89 89 VAL HA H 89 4.800 5.099 -0.299 1
1 830 . 5 1 1 A 89 89 VAL C C 89 175.000 174.587 0.413 1
1 831 . 5 1 1 A 89 89 VAL CA C 89 61.400 59.983 1.417 1
1 832 . 5 1 1 A 89 89 VAL CB C 89 34.400 34.391 0.009 1
1 835 . 5 1 1 A 90 90 VAL H H 90 9.340 9.723 -0.383 1
1 836 . 5 1 1 A 90 90 VAL HA H 90 5.160 5.285 -0.125 1
1 844 . 5 1 1 A 90 90 VAL C C 90 173.600 175.042 -1.442 1
1 845 . 5 1 1 A 90 90 VAL CA C 90 61.400 60.818 0.582 1
1 846 . 5 1 1 A 90 90 VAL CB C 90 34.100 34.658 -0.558 1
1 849 . 5 1 1 A 90 90 VAL N N 90 128.000 125.371 2.629 1
1 850 . 5 1 1 A 91 91 LYS H H 91 9.030 8.937 0.093 1
1 851 . 5 1 1 A 91 91 LYS HA H 91 5.160 5.355 -0.195 1
1 858 . 5 1 1 A 91 91 LYS C C 91 175.300 175.196 0.104 1
1 859 . 5 1 1 A 91 91 LYS CA C 91 54.100 54.499 -0.399 1
1 860 . 5 1 1 A 91 91 LYS CB C 91 36.600 36.075 0.525 1
1 864 . 5 1 1 A 91 91 LYS N N 91 128.100 124.345 3.755 1
1 865 . 5 1 1 A 92 92 CYS H H 92 9.050 8.389 0.661 1
1 866 . 5 1 1 A 92 92 CYS HA H 92 4.950 5.253 -0.303 1
1 869 . 5 1 1 A 92 92 CYS C C 92 177.300 175.276 2.024 1
1 870 . 5 1 1 A 92 92 CYS CA C 92 59.600 57.146 2.454 1
1 871 . 5 1 1 A 92 92 CYS CB C 92 32.600 29.526 3.074 1
1 872 . 5 1 1 A 92 92 CYS N N 92 129.900 120.038 9.862 1
1 873 . 5 1 1 A 93 93 LEU H H 93 8.910 9.653 -0.743 1
1 874 . 5 1 1 A 93 93 LEU HA H 93 4.480 3.928 0.552 1
1 884 . 5 1 1 A 93 93 LEU C C 93 178.100 178.355 -0.255 1
1 885 . 5 1 1 A 93 93 LEU CA C 93 55.300 58.187 -2.887 1
1 886 . 5 1 1 A 93 93 LEU CB C 93 40.500 41.651 -1.151 1
1 890 . 5 1 1 A 93 93 LEU N N 93 127.300 124.562 2.738 1
1 891 . 5 1 1 A 94 94 GLU H H 94 9.460 8.267 1.193 1
1 892 . 5 1 1 A 94 94 GLU HA H 94 4.420 4.025 0.395 1
1 897 . 5 1 1 A 94 94 GLU C C 94 178.400 179.304 -0.904 1
1 898 . 5 1 1 A 94 94 GLU CA C 94 59.700 59.313 0.387 1
1 899 . 5 1 1 A 94 94 GLU CB C 94 29.900 29.558 0.342 1
1 901 . 5 1 1 A 94 94 GLU N N 94 122.900 118.466 4.434 1
1 902 . 5 1 1 A 95 95 CYS H H 95 9.110 7.700 1.410 1
1 903 . 5 1 1 A 95 95 CYS HA H 95 5.140 4.183 0.957 1
1 906 . 5 1 1 A 95 95 CYS C C 95 176.900 175.253 1.647 1
1 907 . 5 1 1 A 95 95 CYS CA C 95 58.900 59.333 -0.433 1
1 908 . 5 1 1 A 95 95 CYS CB C 95 33.600 27.687 5.913 1
1 909 . 5 1 1 A 95 95 CYS N N 95 119.200 115.929 3.271 1
1 910 . 5 1 1 A 96 96 GLY H H 96 8.000 8.900 -0.900 1
1 911 . 5 1 1 A 96 96 GLY HA2 H 96 3.850 3.876 -0.026 1
1 912 . 5 1 1 A 96 96 GLY C C 96 174.100 173.982 0.118 1
1 913 . 5 1 1 A 96 96 GLY CA C 96 46.500 45.935 0.565 1
1 914 . 5 1 1 A 96 96 GLY N N 96 115.300 109.444 5.856 1
1 915 . 5 1 1 A 97 97 HIS H H 97 9.310 7.310 2.000 1
1 916 . 5 1 1 A 97 97 HIS HA H 97 4.500 4.983 -0.483 1
1 919 . 5 1 1 A 97 97 HIS C C 97 173.200 173.100 0.100 1
1 920 . 5 1 1 A 97 97 HIS CA C 97 58.600 54.959 3.641 1
1 921 . 5 1 1 A 97 97 HIS CB C 97 33.000 32.911 0.089 1
1 922 . 5 1 1 A 97 97 HIS N N 97 125.300 117.083 8.217 1
1 923 . 5 1 1 A 98 98 ILE H H 98 6.890 8.722 -1.832 1
1 924 . 5 1 1 A 98 98 ILE HA H 98 4.760 4.906 -0.146 1
1 934 . 5 1 1 A 98 98 ILE C C 98 175.000 174.027 0.973 1
1 935 . 5 1 1 A 98 98 ILE CA C 98 60.000 59.986 0.014 1
1 936 . 5 1 1 A 98 98 ILE CB C 98 40.200 40.584 -0.384 1
1 940 . 5 1 1 A 98 98 ILE N N 98 123.600 122.969 0.631 1
1 941 . 5 1 1 A 99 99 MET H H 99 9.050 9.649 -0.599 1
1 942 . 5 1 1 A 99 99 MET HA H 99 4.630 5.425 -0.795 1
1 950 . 5 1 1 A 99 99 MET C C 99 173.100 174.715 -1.615 1
1 951 . 5 1 1 A 99 99 MET CA C 99 54.400 54.171 0.229 1
1 952 . 5 1 1 A 99 99 MET CB C 99 37.900 36.965 0.935 1
1 955 . 5 1 1 A 99 99 MET N N 99 126.400 127.819 -1.419 1
1 956 . 5 1 1 A 100 100 ARG H H 100 7.930 8.997 -1.067 1
1 957 . 5 1 1 A 100 100 ARG HA H 100 5.370 5.277 0.093 1
1 963 . 5 1 1 A 100 100 ARG C C 100 175.200 173.965 1.235 1
1 964 . 5 1 1 A 100 100 ARG CA C 100 54.700 54.482 0.218 1
1 965 . 5 1 1 A 100 100 ARG CB C 100 33.600 33.644 -0.044 1
1 968 . 5 1 1 A 100 100 ARG N N 100 120.200 123.992 -3.792 1
1 969 . 5 1 1 A 101 101 TYR H H 101 9.110 8.800 0.310 1
1 970 . 5 1 1 A 101 101 TYR HA H 101 5.130 5.181 -0.051 1
1 977 . 5 1 1 A 101 101 TYR CA C 101 55.300 55.373 -0.073 1
1 978 . 5 1 1 A 101 101 TYR CB C 101 40.900 39.598 1.302 1
1 983 . 5 1 1 A 101 101 TYR N N 101 121.100 127.342 -6.242 1
1 1 . 6 1 1 A 18 18 ILE HA H 18 3.610 3.754 -0.144 1
1 11 . 6 1 1 A 18 18 ILE C C 18 176.800 178.055 -1.255 1
1 12 . 6 1 1 A 18 18 ILE CA C 18 66.700 65.734 0.966 1
1 13 . 6 1 1 A 18 18 ILE CB C 18 38.600 37.706 0.894 1
1 17 . 6 1 1 A 19 19 ASP H H 19 8.050 8.676 -0.626 1
1 18 . 6 1 1 A 19 19 ASP HA H 19 4.580 4.498 0.082 1
1 21 . 6 1 1 A 19 19 ASP CA C 19 58.200 57.112 1.088 1
1 22 . 6 1 1 A 19 19 ASP CB C 19 42.500 41.305 1.195 1
1 23 . 6 1 1 A 19 19 ASP N N 19 119.100 120.311 -1.211 1
1 24 . 6 1 1 A 20 20 ILE H H 20 8.240 8.258 -0.018 1
1 25 . 6 1 1 A 20 20 ILE HA H 20 3.730 3.745 -0.015 1
1 35 . 6 1 1 A 20 20 ILE CA C 20 65.000 65.527 -0.527 1
1 36 . 6 1 1 A 20 20 ILE CB C 20 38.300 37.830 0.470 1
1 40 . 6 1 1 A 20 20 ILE N N 20 120.400 120.528 -0.128 1
1 41 . 6 1 1 A 21 21 LEU H H 21 7.870 8.218 -0.348 1
1 42 . 6 1 1 A 21 21 LEU HA H 21 4.440 4.098 0.342 1
1 49 . 6 1 1 A 21 21 LEU C C 21 178.700 178.957 -0.257 1
1 50 . 6 1 1 A 21 21 LEU CA C 21 59.800 58.116 1.684 1
1 51 . 6 1 1 A 21 21 LEU CB C 21 42.200 41.682 0.518 1
1 54 . 6 1 1 A 21 21 LEU N N 21 121.100 121.441 -0.341 1
1 55 . 6 1 1 A 22 22 PHE H H 22 7.820 8.916 -1.096 1
1 56 . 6 1 1 A 22 22 PHE HA H 22 3.480 4.372 -0.892 1
1 63 . 6 1 1 A 22 22 PHE C C 22 177.300 177.573 -0.273 1
1 64 . 6 1 1 A 22 22 PHE CA C 22 63.100 61.989 1.111 1
1 65 . 6 1 1 A 22 22 PHE CB C 22 36.400 39.251 -2.851 1
1 70 . 6 1 1 A 22 22 PHE N N 22 116.900 119.872 -2.972 1
1 71 . 6 1 1 A 23 23 SER H H 23 7.940 8.070 -0.130 1
1 72 . 6 1 1 A 23 23 SER HA H 23 4.520 4.208 0.312 1
1 75 . 6 1 1 A 23 23 SER C C 23 177.300 177.500 -0.200 1
1 76 . 6 1 1 A 23 23 SER CA C 23 63.500 61.543 1.957 1
1 77 . 6 1 1 A 23 23 SER CB C 23 62.900 62.985 -0.085 1
1 78 . 6 1 1 A 23 23 SER N N 23 114.400 114.496 -0.096 1
1 79 . 6 1 1 A 24 24 LEU H H 24 8.050 7.882 0.168 1
1 80 . 6 1 1 A 24 24 LEU HA H 24 3.820 3.970 -0.150 1
1 89 . 6 1 1 A 24 24 LEU C C 24 178.200 178.849 -0.649 1
1 90 . 6 1 1 A 24 24 LEU CA C 24 58.100 57.562 0.538 1
1 91 . 6 1 1 A 24 24 LEU CB C 24 40.700 41.603 -0.903 1
1 95 . 6 1 1 A 24 24 LEU N N 24 124.700 120.850 3.850 1
1 96 . 6 1 1 A 25 25 ALA H H 25 7.590 8.891 -1.301 1
1 97 . 6 1 1 A 25 25 ALA HA H 25 3.820 4.020 -0.200 1
1 101 . 6 1 1 A 25 25 ALA C C 25 177.700 179.390 -1.690 1
1 102 . 6 1 1 A 25 25 ALA CA C 25 55.800 55.767 0.033 1
1 103 . 6 1 1 A 25 25 ALA CB C 25 18.400 18.298 0.102 1
1 104 . 6 1 1 A 25 25 ALA N N 25 122.400 122.383 0.017 1
1 105 . 6 1 1 A 26 26 GLU H H 26 7.690 8.318 -0.628 1
1 106 . 6 1 1 A 26 26 GLU HA H 26 4.270 3.648 0.622 1
1 111 . 6 1 1 A 26 26 GLU C C 26 178.600 178.527 0.073 1
1 112 . 6 1 1 A 26 26 GLU CA C 26 60.000 58.975 1.025 1
1 113 . 6 1 1 A 26 26 GLU CB C 26 31.100 29.091 2.009 1
1 115 . 6 1 1 A 26 26 GLU N N 26 116.000 118.936 -2.936 1
1 116 . 6 1 1 A 27 27 ARG H H 27 7.670 7.889 -0.219 1
1 117 . 6 1 1 A 27 27 ARG HA H 27 4.190 4.094 0.096 1
1 122 . 6 1 1 A 27 27 ARG C C 27 178.400 178.770 -0.370 1
1 123 . 6 1 1 A 27 27 ARG CA C 27 58.800 58.656 0.144 1
1 124 . 6 1 1 A 27 27 ARG CB C 27 30.700 29.818 0.882 1
1 127 . 6 1 1 A 27 27 ARG N N 27 116.700 120.464 -3.764 1
1 128 . 6 1 1 A 28 28 VAL H H 28 8.230 7.729 0.501 1
1 129 . 6 1 1 A 28 28 VAL HA H 28 4.530 3.648 0.882 1
1 137 . 6 1 1 A 28 28 VAL C C 28 176.500 178.615 -2.115 1
1 138 . 6 1 1 A 28 28 VAL CA C 28 62.600 66.530 -3.930 1
1 139 . 6 1 1 A 28 28 VAL CB C 28 33.000 31.614 1.386 1
1 142 . 6 1 1 A 28 28 VAL N N 28 112.600 119.515 -6.915 1
1 143 . 6 1 1 A 29 29 PHE H H 29 8.020 8.699 -0.679 1
1 144 . 6 1 1 A 29 29 PHE HA H 29 3.960 4.244 -0.284 1
1 151 . 6 1 1 A 29 29 PHE CA C 29 64.500 62.576 1.924 1
1 152 . 6 1 1 A 29 29 PHE CB C 29 37.300 36.939 0.361 1
1 157 . 6 1 1 A 29 29 PHE N N 29 124.600 120.451 4.149 1
1 158 . 6 1 1 A 30 30 PRO HA H 30 4.150 3.931 0.219 1
1 163 . 6 1 1 A 30 30 PRO C C 30 176.600 178.733 -2.133 1
1 164 . 6 1 1 A 30 30 PRO CA C 30 65.600 65.682 -0.082 1
1 165 . 6 1 1 A 30 30 PRO CB C 30 31.400 30.706 0.694 1
1 168 . 6 1 1 A 31 31 TYR H H 31 7.540 7.956 -0.416 1
1 169 . 6 1 1 A 31 31 TYR HA H 31 4.600 4.201 0.399 1
1 176 . 6 1 1 A 31 31 TYR C C 31 176.500 175.394 1.106 1
1 177 . 6 1 1 A 31 31 TYR CA C 31 58.300 61.483 -3.183 1
1 178 . 6 1 1 A 31 31 TYR CB C 31 39.400 39.310 0.090 1
1 183 . 6 1 1 A 31 31 TYR N N 31 113.500 119.072 -5.572 1
1 184 . 6 1 1 A 32 32 SER H H 32 8.210 8.139 0.071 1
1 185 . 6 1 1 A 32 32 SER HA H 32 4.770 4.695 0.075 1
1 188 . 6 1 1 A 32 32 SER CA C 32 55.700 55.692 0.008 1
1 189 . 6 1 1 A 32 32 SER CB C 32 63.200 65.915 -2.715 1
1 190 . 6 1 1 A 32 32 SER N N 32 111.700 113.075 -1.375 1
1 191 . 6 1 1 A 33 33 PRO HA H 33 4.250 4.484 -0.234 1
1 195 . 6 1 1 A 33 33 PRO C C 33 179.000 178.902 0.098 1
1 196 . 6 1 1 A 33 33 PRO CA C 33 65.400 65.450 -0.050 1
1 197 . 6 1 1 A 33 33 PRO CB C 33 33.000 31.774 1.226 1
1 200 . 6 1 1 A 34 34 GLU H H 34 8.390 8.277 0.113 1
1 201 . 6 1 1 A 34 34 GLU HA H 34 4.130 4.122 0.008 1
1 204 . 6 1 1 A 34 34 GLU C C 34 178.700 179.628 -0.928 1
1 205 . 6 1 1 A 34 34 GLU CA C 34 59.900 59.426 0.474 1
1 206 . 6 1 1 A 34 34 GLU CB C 34 30.000 29.278 0.722 1
1 208 . 6 1 1 A 34 34 GLU N N 34 118.500 117.884 0.616 1
1 209 . 6 1 1 A 35 35 LEU H H 35 7.970 8.439 -0.469 1
1 210 . 6 1 1 A 35 35 LEU HA H 35 4.070 4.070 0.000 1
1 217 . 6 1 1 A 35 35 LEU CA C 35 57.400 58.105 -0.705 1
1 218 . 6 1 1 A 35 35 LEU CB C 35 42.200 41.770 0.430 1
1 221 . 6 1 1 A 35 35 LEU N N 35 122.000 120.701 1.299 1
1 222 . 6 1 1 A 36 36 ALA H H 36 7.860 8.320 -0.460 1
1 223 . 6 1 1 A 36 36 ALA HA H 36 4.040 4.184 -0.144 1
1 227 . 6 1 1 A 36 36 ALA C C 36 178.600 179.063 -0.463 1
1 228 . 6 1 1 A 36 36 ALA CA C 36 56.400 55.335 1.065 1
1 229 . 6 1 1 A 36 36 ALA CB C 36 19.500 18.582 0.918 1
1 230 . 6 1 1 A 36 36 ALA N N 36 121.000 121.994 -0.994 1
1 231 . 6 1 1 A 37 37 LYS H H 37 7.910 8.204 -0.294 1
1 232 . 6 1 1 A 37 37 LYS HA H 37 4.300 3.927 0.373 1
1 237 . 6 1 1 A 37 37 LYS C C 37 177.800 178.418 -0.618 1
1 238 . 6 1 1 A 37 37 LYS CA C 37 59.700 59.769 -0.069 1
1 239 . 6 1 1 A 37 37 LYS CB C 37 32.400 32.685 -0.285 1
1 243 . 6 1 1 A 37 37 LYS N N 37 117.700 118.338 -0.638 1
1 244 . 6 1 1 A 38 38 ARG H H 38 7.640 7.656 -0.016 1
1 245 . 6 1 1 A 38 38 ARG HA H 38 4.090 3.866 0.224 1
1 251 . 6 1 1 A 38 38 ARG C C 38 179.600 178.659 0.941 1
1 252 . 6 1 1 A 38 38 ARG CA C 38 59.300 59.096 0.204 1
1 253 . 6 1 1 A 38 38 ARG CB C 38 30.000 29.666 0.334 1
1 256 . 6 1 1 A 38 38 ARG N N 38 118.200 119.692 -1.492 1
1 257 . 6 1 1 A 39 39 TYR H H 39 7.860 7.896 -0.036 1
1 258 . 6 1 1 A 39 39 TYR HA H 39 4.290 4.383 -0.093 1
1 264 . 6 1 1 A 39 39 TYR C C 39 177.800 178.491 -0.691 1
1 265 . 6 1 1 A 39 39 TYR CA C 39 62.500 60.200 2.300 1
1 266 . 6 1 1 A 39 39 TYR CB C 39 38.300 37.801 0.499 1
1 271 . 6 1 1 A 39 39 TYR N N 39 119.200 119.695 -0.495 1
1 272 . 6 1 1 A 40 40 VAL H H 40 7.960 8.612 -0.652 1
1 273 . 6 1 1 A 40 40 VAL HA H 40 2.750 3.421 -0.671 1
1 281 . 6 1 1 A 40 40 VAL C C 40 177.800 178.262 -0.462 1
1 282 . 6 1 1 A 40 40 VAL CA C 40 67.300 66.415 0.885 1
1 283 . 6 1 1 A 40 40 VAL CB C 40 31.400 31.298 0.102 1
1 286 . 6 1 1 A 40 40 VAL N N 40 120.800 119.492 1.308 1
1 287 . 6 1 1 A 41 41 GLU H H 41 8.660 7.635 1.025 1
1 288 . 6 1 1 A 41 41 GLU HA H 41 3.680 3.926 -0.246 1
1 291 . 6 1 1 A 41 41 GLU C C 41 179.900 178.478 1.422 1
1 292 . 6 1 1 A 41 41 GLU CA C 41 60.500 58.732 1.768 1
1 293 . 6 1 1 A 41 41 GLU CB C 41 29.400 29.375 0.025 1
1 295 . 6 1 1 A 41 41 GLU N N 41 117.000 120.304 -3.304 1
1 296 . 6 1 1 A 42 42 LEU H H 42 7.960 7.855 0.105 1
1 297 . 6 1 1 A 42 42 LEU HA H 42 4.130 4.062 0.068 1
1 306 . 6 1 1 A 42 42 LEU C C 42 178.300 178.229 0.071 1
1 307 . 6 1 1 A 42 42 LEU CA C 42 58.000 57.759 0.241 1
1 308 . 6 1 1 A 42 42 LEU CB C 42 42.300 41.338 0.962 1
1 312 . 6 1 1 A 42 42 LEU N N 42 120.300 121.397 -1.097 1
1 313 . 6 1 1 A 43 43 ALA H H 43 8.040 7.730 0.310 1
1 314 . 6 1 1 A 43 43 ALA HA H 43 3.740 3.869 -0.129 1
1 318 . 6 1 1 A 43 43 ALA C C 43 179.400 179.989 -0.589 1
1 319 . 6 1 1 A 43 43 ALA CA C 43 55.700 55.222 0.478 1
1 320 . 6 1 1 A 43 43 ALA CB C 43 18.500 18.437 0.063 1
1 321 . 6 1 1 A 43 43 ALA N N 43 123.600 120.962 2.638 1
1 322 . 6 1 1 A 44 44 LEU H H 44 8.340 8.123 0.217 1
1 323 . 6 1 1 A 44 44 LEU HA H 44 4.070 3.714 0.356 1
1 333 . 6 1 1 A 44 44 LEU C C 44 180.000 179.242 0.758 1
1 334 . 6 1 1 A 44 44 LEU CA C 44 57.500 57.569 -0.069 1
1 335 . 6 1 1 A 44 44 LEU CB C 44 40.800 41.546 -0.746 1
1 339 . 6 1 1 A 44 44 LEU N N 44 116.800 118.195 -1.395 1
1 340 . 6 1 1 A 45 45 LEU H H 45 7.860 7.869 -0.009 1
1 341 . 6 1 1 A 45 45 LEU HA H 45 4.170 3.953 0.217 1
1 351 . 6 1 1 A 45 45 LEU C C 45 179.600 178.854 0.746 1
1 352 . 6 1 1 A 45 45 LEU CA C 45 58.400 58.087 0.313 1
1 353 . 6 1 1 A 45 45 LEU CB C 45 42.200 41.846 0.354 1
1 357 . 6 1 1 A 45 45 LEU N N 45 122.600 118.853 3.747 1
1 358 . 6 1 1 A 46 46 VAL H H 46 8.070 8.251 -0.181 1
1 359 . 6 1 1 A 46 46 VAL HA H 46 3.610 3.460 0.150 1
1 367 . 6 1 1 A 46 46 VAL CA C 46 66.800 66.613 0.187 1
1 368 . 6 1 1 A 46 46 VAL CB C 46 31.600 31.178 0.422 1
1 370 . 6 1 1 A 46 46 VAL N N 46 120.100 119.005 1.095 1
1 371 . 6 1 1 A 47 47 GLN H H 47 8.360 8.152 0.208 1
1 372 . 6 1 1 A 47 47 GLN HA H 47 3.860 3.959 -0.099 1
1 378 . 6 1 1 A 47 47 GLN C C 47 178.000 178.059 -0.059 1
1 379 . 6 1 1 A 47 47 GLN CA C 47 60.200 59.224 0.976 1
1 380 . 6 1 1 A 47 47 GLN CB C 47 27.800 28.309 -0.509 1
1 382 . 6 1 1 A 47 47 GLN N N 47 120.000 119.465 0.535 1
1 384 . 6 1 1 A 48 48 GLN H H 48 8.110 8.002 0.108 1
1 385 . 6 1 1 A 48 48 GLN HA H 48 4.080 4.031 0.049 1
1 392 . 6 1 1 A 48 48 GLN C C 48 178.500 178.212 0.288 1
1 393 . 6 1 1 A 48 48 GLN CA C 48 58.900 58.761 0.139 1
1 394 . 6 1 1 A 48 48 GLN CB C 48 29.400 28.354 1.046 1
1 396 . 6 1 1 A 48 48 GLN N N 48 117.600 117.348 0.252 1
1 398 . 6 1 1 A 49 49 LYS H H 49 8.110 7.732 0.378 1
1 399 . 6 1 1 A 49 49 LYS HA H 49 4.190 4.007 0.183 1
1 405 . 6 1 1 A 49 49 LYS C C 49 177.800 179.233 -1.433 1
1 406 . 6 1 1 A 49 49 LYS CA C 49 58.600 59.244 -0.644 1
1 407 . 6 1 1 A 49 49 LYS CB C 49 33.000 32.133 0.867 1
1 411 . 6 1 1 A 49 49 LYS N N 49 118.100 119.541 -1.441 1
1 412 . 6 1 1 A 50 50 ALA H H 50 8.240 8.134 0.106 1
1 413 . 6 1 1 A 50 50 ALA HA H 50 4.460 4.311 0.149 1
1 417 . 6 1 1 A 50 50 ALA C C 50 176.700 177.196 -0.496 1
1 418 . 6 1 1 A 50 50 ALA CA C 50 52.700 52.656 0.044 1
1 419 . 6 1 1 A 50 50 ALA CB C 50 21.100 19.354 1.746 1
1 420 . 6 1 1 A 50 50 ALA N N 50 119.000 119.292 -0.292 1
1 421 . 6 1 1 A 51 51 LYS H H 51 8.000 7.825 0.175 1
1 422 . 6 1 1 A 51 51 LYS HA H 51 4.030 3.882 0.148 1
1 429 . 6 1 1 A 51 51 LYS C C 51 175.800 175.353 0.447 1
1 430 . 6 1 1 A 51 51 LYS CA C 51 57.500 57.460 0.040 1
1 431 . 6 1 1 A 51 51 LYS CB C 51 29.500 30.348 -0.848 1
1 435 . 6 1 1 A 51 51 LYS N N 51 114.500 117.314 -2.814 1
1 436 . 6 1 1 A 52 52 VAL H H 52 7.000 7.370 -0.370 1
1 437 . 6 1 1 A 52 52 VAL HA H 52 4.570 4.796 -0.226 1
1 445 . 6 1 1 A 52 52 VAL C C 52 175.000 174.614 0.386 1
1 446 . 6 1 1 A 52 52 VAL CA C 52 59.600 60.120 -0.520 1
1 447 . 6 1 1 A 52 52 VAL CB C 52 34.900 34.584 0.316 1
1 450 . 6 1 1 A 52 52 VAL N N 52 111.600 114.761 -3.161 1
1 451 . 6 1 1 A 53 53 LYS H H 53 8.150 8.892 -0.742 1
1 452 . 6 1 1 A 53 53 LYS HA H 53 4.510 5.082 -0.572 1
1 454 . 6 1 1 A 53 53 LYS C C 53 176.800 175.525 1.275 1
1 455 . 6 1 1 A 53 53 LYS CA C 53 55.700 54.899 0.801 1
1 456 . 6 1 1 A 53 53 LYS CB C 53 34.000 35.334 -1.334 1
1 457 . 6 1 1 A 53 53 LYS N N 53 120.800 124.350 -3.550 1
1 458 . 6 1 1 A 54 54 ILE H H 54 8.370 8.702 -0.332 1
1 459 . 6 1 1 A 54 54 ILE HA H 54 4.530 4.765 -0.235 1
1 469 . 6 1 1 A 54 54 ILE CA C 54 58.700 58.038 0.662 1
1 470 . 6 1 1 A 54 54 ILE CB C 54 38.400 39.928 -1.528 1
1 474 . 6 1 1 A 54 54 ILE N N 54 122.500 120.255 2.245 1
1 475 . 6 1 1 A 57 57 LYS HA H 57 3.780 3.768 0.012 1
1 484 . 6 1 1 A 57 57 LYS C C 57 176.300 177.913 -1.613 1
1 485 . 6 1 1 A 57 57 LYS CA C 57 59.000 58.731 0.269 1
1 486 . 6 1 1 A 57 57 LYS CB C 57 32.300 31.906 0.394 1
1 490 . 6 1 1 A 58 58 TRP H H 58 7.250 7.609 -0.359 1
1 491 . 6 1 1 A 58 58 TRP HA H 58 4.850 4.692 0.158 1
1 500 . 6 1 1 A 58 58 TRP C C 58 176.800 178.220 -1.420 1
1 501 . 6 1 1 A 58 58 TRP CA C 58 55.400 58.421 -3.021 1
1 502 . 6 1 1 A 58 58 TRP CB C 58 31.300 31.212 0.088 1
1 508 . 6 1 1 A 58 58 TRP N N 58 116.300 117.153 -0.853 1
1 510 . 6 1 1 A 59 59 LYS H H 59 7.310 8.301 -0.991 1
1 511 . 6 1 1 A 59 59 LYS HA H 59 3.960 3.841 0.119 1
1 517 . 6 1 1 A 59 59 LYS CA C 59 60.600 59.762 0.838 1
1 518 . 6 1 1 A 59 59 LYS CB C 59 33.500 32.120 1.380 1
1 522 . 6 1 1 A 59 59 LYS N N 59 118.600 121.811 -3.211 1
1 523 . 6 1 1 A 60 60 ARG HA H 60 4.540 4.150 0.390 1
1 528 . 6 1 1 A 60 60 ARG C C 60 177.200 177.167 0.033 1
1 529 . 6 1 1 A 60 60 ARG CA C 60 55.400 56.369 -0.969 1
1 530 . 6 1 1 A 60 60 ARG CB C 60 30.400 30.261 0.139 1
1 533 . 6 1 1 A 61 61 ARG H H 61 7.620 7.682 -0.062 1
1 534 . 6 1 1 A 61 61 ARG HA H 61 4.250 4.378 -0.128 1
1 537 . 6 1 1 A 61 61 ARG C C 61 172.300 174.654 -2.354 1
1 538 . 6 1 1 A 61 61 ARG CA C 61 54.400 55.368 -0.968 1
1 539 . 6 1 1 A 61 61 ARG CB C 61 27.900 30.373 -2.473 1
1 541 . 6 1 1 A 61 61 ARG N N 61 116.000 116.866 -0.866 1
1 542 . 6 1 1 A 62 62 TYR H H 62 6.980 7.225 -0.245 1
1 543 . 6 1 1 A 62 62 TYR HA H 62 5.860 5.402 0.458 1
1 550 . 6 1 1 A 62 62 TYR C C 62 173.100 172.546 0.554 1
1 551 . 6 1 1 A 62 62 TYR CA C 62 55.000 55.838 -0.838 1
1 552 . 6 1 1 A 62 62 TYR CB C 62 43.000 41.447 1.553 1
1 557 . 6 1 1 A 62 62 TYR N N 62 112.300 115.962 -3.662 1
1 558 . 6 1 1 A 63 63 CYS H H 63 9.220 8.648 0.572 1
1 559 . 6 1 1 A 63 63 CYS HA H 63 4.280 4.720 -0.440 1
1 562 . 6 1 1 A 63 63 CYS C C 63 178.000 176.062 1.938 1
1 563 . 6 1 1 A 63 63 CYS CA C 63 59.900 58.719 1.181 1
1 564 . 6 1 1 A 63 63 CYS CB C 63 32.300 29.388 2.912 1
1 565 . 6 1 1 A 63 63 CYS N N 63 124.100 121.004 3.096 1
1 566 . 6 1 1 A 64 64 LYS H H 64 7.820 8.879 -1.059 1
1 567 . 6 1 1 A 64 64 LYS HA H 64 4.240 4.243 -0.003 1
1 571 . 6 1 1 A 64 64 LYS C C 64 175.400 177.843 -2.443 1
1 572 . 6 1 1 A 64 64 LYS CA C 64 59.500 60.123 -0.623 1
1 573 . 6 1 1 A 64 64 LYS CB C 64 33.600 32.356 1.244 1
1 577 . 6 1 1 A 64 64 LYS N N 64 129.300 127.571 1.729 1
1 578 . 6 1 1 A 65 65 LYS H H 65 9.270 7.712 1.558 1
1 579 . 6 1 1 A 65 65 LYS HA H 65 4.250 3.999 0.251 1
1 586 . 6 1 1 A 65 65 LYS C C 65 176.300 179.106 -2.806 1
1 587 . 6 1 1 A 65 65 LYS CA C 65 58.500 58.631 -0.131 1
1 588 . 6 1 1 A 65 65 LYS CB C 65 33.700 32.350 1.350 1
1 592 . 6 1 1 A 65 65 LYS N N 65 122.500 118.488 4.012 1
1 593 . 6 1 1 A 66 66 CYS H H 66 9.190 7.826 1.364 1
1 594 . 6 1 1 A 66 66 CYS HA H 66 4.560 4.153 0.407 1
1 597 . 6 1 1 A 66 66 CYS C C 66 176.200 174.836 1.364 1
1 598 . 6 1 1 A 66 66 CYS CA C 66 59.700 63.510 -3.810 1
1 599 . 6 1 1 A 66 66 CYS CB C 66 32.200 27.727 4.473 1
1 600 . 6 1 1 A 66 66 CYS N N 66 121.200 117.812 3.388 1
1 601 . 6 1 1 A 67 67 HIS H H 67 7.700 8.040 -0.340 1
1 602 . 6 1 1 A 67 67 HIS HA H 67 4.850 3.947 0.903 1
1 604 . 6 1 1 A 67 67 HIS C C 67 171.000 173.731 -2.731 1
1 605 . 6 1 1 A 67 67 HIS CA C 67 56.200 56.968 -0.768 1
1 606 . 6 1 1 A 67 67 HIS CB C 67 26.800 26.725 0.075 1
1 607 . 6 1 1 A 67 67 HIS N N 67 114.200 115.786 -1.586 1
1 608 . 6 1 1 A 68 68 ALA H H 68 8.720 7.585 1.135 1
1 609 . 6 1 1 A 68 68 ALA HA H 68 4.230 4.912 -0.682 1
1 613 . 6 1 1 A 68 68 ALA C C 68 177.800 176.125 1.675 1
1 614 . 6 1 1 A 68 68 ALA CA C 68 53.800 50.275 3.525 1
1 615 . 6 1 1 A 68 68 ALA CB C 68 19.800 22.577 -2.777 1
1 616 . 6 1 1 A 68 68 ALA N N 68 119.600 119.630 -0.030 1
1 617 . 6 1 1 A 69 69 PHE H H 69 8.500 8.792 -0.292 1
1 618 . 6 1 1 A 69 69 PHE HA H 69 4.590 4.981 -0.391 1
1 626 . 6 1 1 A 69 69 PHE C C 69 174.200 173.906 0.294 1
1 627 . 6 1 1 A 69 69 PHE CA C 69 58.300 59.410 -1.110 1
1 628 . 6 1 1 A 69 69 PHE CB C 69 40.900 39.203 1.697 1
1 634 . 6 1 1 A 69 69 PHE N N 69 122.200 121.630 0.570 1
1 635 . 6 1 1 A 70 70 LEU H H 70 7.550 9.293 -1.743 1
1 636 . 6 1 1 A 70 70 LEU HA H 70 4.540 5.368 -0.828 1
1 645 . 6 1 1 A 70 70 LEU C C 70 176.000 175.357 0.643 1
1 646 . 6 1 1 A 70 70 LEU CA C 70 53.700 53.770 -0.070 1
1 647 . 6 1 1 A 70 70 LEU CB C 70 43.600 44.770 -1.170 1
1 651 . 6 1 1 A 70 70 LEU N N 70 124.700 129.257 -4.557 1
1 652 . 6 1 1 A 71 71 VAL H H 71 9.700 9.276 0.424 1
1 653 . 6 1 1 A 71 71 VAL HA H 71 4.140 4.700 -0.560 1
1 661 . 6 1 1 A 71 71 VAL CA C 71 59.600 58.955 0.645 1
1 662 . 6 1 1 A 71 71 VAL CB C 71 34.000 35.958 -1.958 1
1 665 . 6 1 1 A 71 71 VAL N N 71 125.800 127.150 -1.350 1
1 666 . 6 1 1 A 72 72 PRO HA H 72 4.170 4.467 -0.297 1
1 673 . 6 1 1 A 72 72 PRO C C 72 176.200 177.317 -1.117 1
1 674 . 6 1 1 A 72 72 PRO CA C 72 64.100 63.720 0.380 1
1 675 . 6 1 1 A 72 72 PRO CB C 72 32.200 31.636 0.564 1
1 678 . 6 1 1 A 73 73 GLY H H 73 8.500 9.281 -0.781 1
1 679 . 6 1 1 A 73 73 GLY HA2 H 73 3.860 3.843 0.017 1
1 680 . 6 1 1 A 73 73 GLY HA3 H 73 4.550 3.861 0.689 1
1 681 . 6 1 1 A 73 73 GLY CA C 73 45.700 45.341 0.359 1
1 682 . 6 1 1 A 73 73 GLY N N 73 112.200 111.055 1.145 1
1 683 . 6 1 1 A 74 74 ILE H H 74 8.360 7.394 0.966 1
1 684 . 6 1 1 A 74 74 ILE HA H 74 4.580 4.061 0.519 1
1 694 . 6 1 1 A 74 74 ILE C C 74 175.700 177.470 -1.770 1
1 695 . 6 1 1 A 74 74 ILE CA C 74 62.700 62.873 -0.173 1
1 696 . 6 1 1 A 74 74 ILE CB C 74 38.400 38.214 0.186 1
1 700 . 6 1 1 A 74 74 ILE N N 74 120.200 120.213 -0.013 1
1 701 . 6 1 1 A 75 75 ASN H H 75 8.470 8.400 0.070 1
1 702 . 6 1 1 A 75 75 ASN HA H 75 4.970 4.885 0.085 1
1 706 . 6 1 1 A 75 75 ASN C C 75 172.900 174.632 -1.732 1
1 707 . 6 1 1 A 75 75 ASN CA C 75 52.600 52.842 -0.242 1
1 708 . 6 1 1 A 75 75 ASN CB C 75 38.600 38.628 -0.028 1
1 709 . 6 1 1 A 75 75 ASN N N 75 116.400 115.658 0.742 1
1 711 . 6 1 1 A 76 76 ALA H H 76 7.250 7.705 -0.455 1
1 712 . 6 1 1 A 76 76 ALA HA H 76 5.510 5.216 0.294 1
1 716 . 6 1 1 A 76 76 ALA C C 76 176.200 175.181 1.019 1
1 717 . 6 1 1 A 76 76 ALA CA C 76 50.400 51.614 -1.214 1
1 718 . 6 1 1 A 76 76 ALA CB C 76 23.200 22.967 0.233 1
1 719 . 6 1 1 A 76 76 ALA N N 76 117.400 119.728 -2.328 1
1 720 . 6 1 1 A 77 77 ARG H H 77 8.850 8.713 0.137 1
1 721 . 6 1 1 A 77 77 ARG HA H 77 4.950 5.218 -0.268 1
1 728 . 6 1 1 A 77 77 ARG CA C 77 54.800 54.616 0.184 1
1 729 . 6 1 1 A 77 77 ARG CB C 77 33.700 34.129 -0.429 1
1 732 . 6 1 1 A 77 77 ARG N N 77 123.000 122.289 0.711 1
1 733 . 6 1 1 A 78 78 VAL H H 78 8.920 9.026 -0.106 1
1 734 . 6 1 1 A 78 78 VAL HA H 78 4.730 5.257 -0.527 1
1 742 . 6 1 1 A 78 78 VAL CA C 78 61.400 59.569 1.831 1
1 743 . 6 1 1 A 78 78 VAL CB C 78 34.400 34.778 -0.378 1
1 746 . 6 1 1 A 78 78 VAL N N 78 127.400 124.731 2.669 1
1 747 . 6 1 1 A 79 79 ARG H H 79 9.000 8.429 0.571 1
1 748 . 6 1 1 A 79 79 ARG HA H 79 4.750 4.732 0.018 1
1 754 . 6 1 1 A 79 79 ARG CA C 79 54.400 55.881 -1.481 1
1 755 . 6 1 1 A 79 79 ARG CB C 79 34.300 31.414 2.886 1
1 758 . 6 1 1 A 79 79 ARG N N 79 126.400 127.737 -1.337 1
1 759 . 6 1 1 A 80 80 LEU H H 80 8.480 9.220 -0.740 1
1 760 . 6 1 1 A 80 80 LEU HA H 80 4.690 4.998 -0.308 1
1 770 . 6 1 1 A 80 80 LEU CA C 80 54.600 53.475 1.125 1
1 771 . 6 1 1 A 80 80 LEU CB C 80 43.500 43.817 -0.317 1
1 775 . 6 1 1 A 80 80 LEU N N 80 124.700 125.395 -0.695 1
1 776 . 6 1 1 A 81 81 ARG H H 81 8.800 8.847 -0.047 1
1 777 . 6 1 1 A 81 81 ARG HA H 81 4.540 4.845 -0.305 1
1 781 . 6 1 1 A 81 81 ARG CA C 81 54.600 54.305 0.295 1
1 782 . 6 1 1 A 81 81 ARG CB C 81 31.600 33.117 -1.517 1
1 785 . 6 1 1 A 81 81 ARG N N 81 126.100 124.458 1.642 1
1 786 . 6 1 1 A 86 86 PRO HA H 86 4.700 5.019 -0.319 1
1 792 . 6 1 1 A 86 86 PRO C C 86 176.400 176.106 0.294 1
1 793 . 6 1 1 A 86 86 PRO CA C 86 64.000 62.971 1.029 1
1 794 . 6 1 1 A 86 86 PRO CB C 86 32.600 32.274 0.326 1
1 796 . 6 1 1 A 87 87 HIS H H 87 8.560 8.583 -0.023 1
1 797 . 6 1 1 A 87 87 HIS HA H 87 5.140 4.997 0.143 1
1 800 . 6 1 1 A 87 87 HIS C C 87 172.600 174.758 -2.158 1
1 801 . 6 1 1 A 87 87 HIS CA C 87 56.000 55.456 0.544 1
1 802 . 6 1 1 A 87 87 HIS CB C 87 32.400 31.427 0.973 1
1 803 . 6 1 1 A 87 87 HIS N N 87 118.700 121.627 -2.927 1
1 804 . 6 1 1 A 88 88 ILE H H 88 9.250 8.731 0.519 1
1 805 . 6 1 1 A 88 88 ILE HA H 88 4.710 4.847 -0.137 1
1 815 . 6 1 1 A 88 88 ILE CA C 88 60.200 58.822 1.378 1
1 816 . 6 1 1 A 88 88 ILE CB C 88 40.600 41.320 -0.720 1
1 820 . 6 1 1 A 88 88 ILE N N 88 120.600 121.237 -0.637 1
1 821 . 6 1 1 A 89 89 VAL H H 89 9.050 8.676 0.374 1
1 822 . 6 1 1 A 89 89 VAL HA H 89 4.800 5.031 -0.231 1
1 830 . 6 1 1 A 89 89 VAL C C 89 175.000 174.565 0.435 1
1 831 . 6 1 1 A 89 89 VAL CA C 89 61.400 59.927 1.473 1
1 832 . 6 1 1 A 89 89 VAL CB C 89 34.400 34.352 0.048 1
1 835 . 6 1 1 A 90 90 VAL H H 90 9.340 9.381 -0.041 1
1 836 . 6 1 1 A 90 90 VAL HA H 90 5.160 5.196 -0.036 1
1 844 . 6 1 1 A 90 90 VAL C C 90 173.600 174.972 -1.372 1
1 845 . 6 1 1 A 90 90 VAL CA C 90 61.400 60.774 0.626 1
1 846 . 6 1 1 A 90 90 VAL CB C 90 34.100 34.355 -0.255 1
1 849 . 6 1 1 A 90 90 VAL N N 90 128.000 125.040 2.960 1
1 850 . 6 1 1 A 91 91 LYS H H 91 9.030 8.810 0.220 1
1 851 . 6 1 1 A 91 91 LYS HA H 91 5.160 5.324 -0.164 1
1 858 . 6 1 1 A 91 91 LYS C C 91 175.300 174.899 0.401 1
1 859 . 6 1 1 A 91 91 LYS CA C 91 54.100 54.504 -0.404 1
1 860 . 6 1 1 A 91 91 LYS CB C 91 36.600 36.093 0.507 1
1 864 . 6 1 1 A 91 91 LYS N N 91 128.100 124.354 3.746 1
1 865 . 6 1 1 A 92 92 CYS H H 92 9.050 8.769 0.281 1
1 866 . 6 1 1 A 92 92 CYS HA H 92 4.950 4.946 0.004 1
1 869 . 6 1 1 A 92 92 CYS C C 92 177.300 175.041 2.259 1
1 870 . 6 1 1 A 92 92 CYS CA C 92 59.600 57.936 1.664 1
1 871 . 6 1 1 A 92 92 CYS CB C 92 32.600 28.933 3.667 1
1 872 . 6 1 1 A 92 92 CYS N N 92 129.900 122.150 7.750 1
1 873 . 6 1 1 A 93 93 LEU H H 93 8.910 9.629 -0.719 1
1 874 . 6 1 1 A 93 93 LEU HA H 93 4.480 3.925 0.555 1
1 884 . 6 1 1 A 93 93 LEU C C 93 178.100 178.361 -0.261 1
1 885 . 6 1 1 A 93 93 LEU CA C 93 55.300 58.168 -2.868 1
1 886 . 6 1 1 A 93 93 LEU CB C 93 40.500 41.627 -1.127 1
1 890 . 6 1 1 A 93 93 LEU N N 93 127.300 127.191 0.109 1
1 891 . 6 1 1 A 94 94 GLU H H 94 9.460 8.242 1.218 1
1 892 . 6 1 1 A 94 94 GLU HA H 94 4.420 4.009 0.411 1
1 897 . 6 1 1 A 94 94 GLU C C 94 178.400 179.167 -0.767 1
1 898 . 6 1 1 A 94 94 GLU CA C 94 59.700 59.356 0.344 1
1 899 . 6 1 1 A 94 94 GLU CB C 94 29.900 29.449 0.451 1
1 901 . 6 1 1 A 94 94 GLU N N 94 122.900 118.526 4.374 1
1 902 . 6 1 1 A 95 95 CYS H H 95 9.110 7.739 1.371 1
1 903 . 6 1 1 A 95 95 CYS HA H 95 5.140 4.266 0.874 1
1 906 . 6 1 1 A 95 95 CYS C C 95 176.900 175.253 1.647 1
1 907 . 6 1 1 A 95 95 CYS CA C 95 58.900 59.391 -0.491 1
1 908 . 6 1 1 A 95 95 CYS CB C 95 33.600 27.775 5.825 1
1 909 . 6 1 1 A 95 95 CYS N N 95 119.200 115.837 3.363 1
1 910 . 6 1 1 A 96 96 GLY H H 96 8.000 8.670 -0.670 1
1 911 . 6 1 1 A 96 96 GLY HA2 H 96 3.850 3.780 0.070 1
1 912 . 6 1 1 A 96 96 GLY C C 96 174.100 173.514 0.586 1
1 913 . 6 1 1 A 96 96 GLY CA C 96 46.500 45.661 0.839 1
1 914 . 6 1 1 A 96 96 GLY N N 96 115.300 109.881 5.419 1
1 915 . 6 1 1 A 97 97 HIS H H 97 9.310 7.923 1.387 1
1 916 . 6 1 1 A 97 97 HIS HA H 97 4.500 5.038 -0.538 1
1 919 . 6 1 1 A 97 97 HIS C C 97 173.200 173.120 0.080 1
1 920 . 6 1 1 A 97 97 HIS CA C 97 58.600 54.686 3.914 1
1 921 . 6 1 1 A 97 97 HIS CB C 97 33.000 33.827 -0.827 1
1 922 . 6 1 1 A 97 97 HIS N N 97 125.300 117.190 8.110 1
1 923 . 6 1 1 A 98 98 ILE H H 98 6.890 8.809 -1.919 1
1 924 . 6 1 1 A 98 98 ILE HA H 98 4.760 5.031 -0.271 1
1 934 . 6 1 1 A 98 98 ILE C C 98 175.000 174.109 0.891 1
1 935 . 6 1 1 A 98 98 ILE CA C 98 60.000 59.867 0.133 1
1 936 . 6 1 1 A 98 98 ILE CB C 98 40.200 40.626 -0.426 1
1 940 . 6 1 1 A 98 98 ILE N N 98 123.600 122.741 0.859 1
1 941 . 6 1 1 A 99 99 MET H H 99 9.050 9.880 -0.830 1
1 942 . 6 1 1 A 99 99 MET HA H 99 4.630 5.359 -0.729 1
1 950 . 6 1 1 A 99 99 MET C C 99 173.100 174.019 -0.919 1
1 951 . 6 1 1 A 99 99 MET CA C 99 54.400 53.971 0.429 1
1 952 . 6 1 1 A 99 99 MET CB C 99 37.900 35.552 2.348 1
1 955 . 6 1 1 A 99 99 MET N N 99 126.400 127.738 -1.338 1
1 956 . 6 1 1 A 100 100 ARG H H 100 7.930 8.745 -0.815 1
1 957 . 6 1 1 A 100 100 ARG HA H 100 5.370 5.018 0.352 1
1 963 . 6 1 1 A 100 100 ARG C C 100 175.200 174.353 0.847 1
1 964 . 6 1 1 A 100 100 ARG CA C 100 54.700 54.793 -0.093 1
1 965 . 6 1 1 A 100 100 ARG CB C 100 33.600 31.589 2.011 1
1 968 . 6 1 1 A 100 100 ARG N N 100 120.200 122.907 -2.707 1
1 969 . 6 1 1 A 101 101 TYR H H 101 9.110 8.779 0.331 1
1 970 . 6 1 1 A 101 101 TYR HA H 101 5.130 5.125 0.005 1
1 977 . 6 1 1 A 101 101 TYR CA C 101 55.300 54.939 0.361 1
1 978 . 6 1 1 A 101 101 TYR CB C 101 40.900 39.570 1.330 1
1 983 . 6 1 1 A 101 101 TYR N N 101 121.100 126.039 -4.939 1
1 1 . 7 1 1 A 18 18 ILE HA H 18 3.610 4.050 -0.440 1
1 11 . 7 1 1 A 18 18 ILE C C 18 176.800 177.680 -0.880 1
1 12 . 7 1 1 A 18 18 ILE CA C 18 66.700 63.103 3.597 1
1 13 . 7 1 1 A 18 18 ILE CB C 18 38.600 37.886 0.714 1
1 17 . 7 1 1 A 19 19 ASP H H 19 8.050 7.911 0.139 1
1 18 . 7 1 1 A 19 19 ASP HA H 19 4.580 4.718 -0.138 1
1 21 . 7 1 1 A 19 19 ASP CA C 19 58.200 57.612 0.588 1
1 22 . 7 1 1 A 19 19 ASP CB C 19 42.500 40.970 1.530 1
1 23 . 7 1 1 A 19 19 ASP N N 19 119.100 121.479 -2.379 1
1 24 . 7 1 1 A 20 20 ILE H H 20 8.240 7.554 0.686 1
1 25 . 7 1 1 A 20 20 ILE HA H 20 3.730 3.779 -0.049 1
1 35 . 7 1 1 A 20 20 ILE CA C 20 65.000 65.409 -0.409 1
1 36 . 7 1 1 A 20 20 ILE CB C 20 38.300 37.756 0.544 1
1 40 . 7 1 1 A 20 20 ILE N N 20 120.400 120.407 -0.007 1
1 41 . 7 1 1 A 21 21 LEU H H 21 7.870 8.090 -0.220 1
1 42 . 7 1 1 A 21 21 LEU HA H 21 4.440 4.054 0.386 1
1 49 . 7 1 1 A 21 21 LEU C C 21 178.700 179.431 -0.731 1
1 50 . 7 1 1 A 21 21 LEU CA C 21 59.800 58.169 1.631 1
1 51 . 7 1 1 A 21 21 LEU CB C 21 42.200 42.093 0.107 1
1 54 . 7 1 1 A 21 21 LEU N N 21 121.100 119.120 1.980 1
1 55 . 7 1 1 A 22 22 PHE H H 22 7.820 8.723 -0.903 1
1 56 . 7 1 1 A 22 22 PHE HA H 22 3.480 4.349 -0.869 1
1 63 . 7 1 1 A 22 22 PHE C C 22 177.300 178.006 -0.706 1
1 64 . 7 1 1 A 22 22 PHE CA C 22 63.100 62.101 0.999 1
1 65 . 7 1 1 A 22 22 PHE CB C 22 36.400 39.184 -2.784 1
1 70 . 7 1 1 A 22 22 PHE N N 22 116.900 119.849 -2.949 1
1 71 . 7 1 1 A 23 23 SER H H 23 7.940 8.181 -0.241 1
1 72 . 7 1 1 A 23 23 SER HA H 23 4.520 4.156 0.364 1
1 75 . 7 1 1 A 23 23 SER C C 23 177.300 176.150 1.150 1
1 76 . 7 1 1 A 23 23 SER CA C 23 63.500 61.863 1.637 1
1 77 . 7 1 1 A 23 23 SER CB C 23 62.900 63.067 -0.167 1
1 78 . 7 1 1 A 23 23 SER N N 23 114.400 115.297 -0.897 1
1 79 . 7 1 1 A 24 24 LEU H H 24 8.050 8.236 -0.186 1
1 80 . 7 1 1 A 24 24 LEU HA H 24 3.820 4.079 -0.259 1
1 89 . 7 1 1 A 24 24 LEU C C 24 178.200 178.914 -0.714 1
1 90 . 7 1 1 A 24 24 LEU CA C 24 58.100 57.636 0.464 1
1 91 . 7 1 1 A 24 24 LEU CB C 24 40.700 41.768 -1.068 1
1 95 . 7 1 1 A 24 24 LEU N N 24 124.700 121.441 3.259 1
1 96 . 7 1 1 A 25 25 ALA H H 25 7.590 9.039 -1.449 1
1 97 . 7 1 1 A 25 25 ALA HA H 25 3.820 4.032 -0.212 1
1 101 . 7 1 1 A 25 25 ALA C C 25 177.700 179.461 -1.761 1
1 102 . 7 1 1 A 25 25 ALA CA C 25 55.800 55.698 0.102 1
1 103 . 7 1 1 A 25 25 ALA CB C 25 18.400 18.245 0.155 1
1 104 . 7 1 1 A 25 25 ALA N N 25 122.400 122.361 0.039 1
1 105 . 7 1 1 A 26 26 GLU H H 26 7.690 8.063 -0.373 1
1 106 . 7 1 1 A 26 26 GLU HA H 26 4.270 3.789 0.481 1
1 111 . 7 1 1 A 26 26 GLU C C 26 178.600 178.505 0.095 1
1 112 . 7 1 1 A 26 26 GLU CA C 26 60.000 59.053 0.947 1
1 113 . 7 1 1 A 26 26 GLU CB C 26 31.100 29.144 1.956 1
1 115 . 7 1 1 A 26 26 GLU N N 26 116.000 119.155 -3.155 1
1 116 . 7 1 1 A 27 27 ARG H H 27 7.670 7.679 -0.009 1
1 117 . 7 1 1 A 27 27 ARG HA H 27 4.190 4.102 0.088 1
1 122 . 7 1 1 A 27 27 ARG C C 27 178.400 178.249 0.151 1
1 123 . 7 1 1 A 27 27 ARG CA C 27 58.800 58.644 0.156 1
1 124 . 7 1 1 A 27 27 ARG CB C 27 30.700 29.854 0.846 1
1 127 . 7 1 1 A 27 27 ARG N N 27 116.700 120.495 -3.795 1
1 128 . 7 1 1 A 28 28 VAL H H 28 8.230 7.866 0.364 1
1 129 . 7 1 1 A 28 28 VAL HA H 28 4.530 3.736 0.794 1
1 137 . 7 1 1 A 28 28 VAL C C 28 176.500 178.005 -1.505 1
1 138 . 7 1 1 A 28 28 VAL CA C 28 62.600 64.967 -2.367 1
1 139 . 7 1 1 A 28 28 VAL CB C 28 33.000 31.145 1.855 1
1 142 . 7 1 1 A 28 28 VAL N N 28 112.600 118.551 -5.951 1
1 143 . 7 1 1 A 29 29 PHE H H 29 8.020 8.147 -0.127 1
1 144 . 7 1 1 A 29 29 PHE HA H 29 3.960 4.226 -0.266 1
1 151 . 7 1 1 A 29 29 PHE CA C 29 64.500 62.623 1.877 1
1 152 . 7 1 1 A 29 29 PHE CB C 29 37.300 36.769 0.531 1
1 157 . 7 1 1 A 29 29 PHE N N 29 124.600 122.452 2.148 1
1 158 . 7 1 1 A 30 30 PRO HA H 30 4.150 3.991 0.159 1
1 163 . 7 1 1 A 30 30 PRO C C 30 176.600 178.699 -2.099 1
1 164 . 7 1 1 A 30 30 PRO CA C 30 65.600 65.713 -0.113 1
1 165 . 7 1 1 A 30 30 PRO CB C 30 31.400 30.745 0.655 1
1 168 . 7 1 1 A 31 31 TYR H H 31 7.540 7.951 -0.411 1
1 169 . 7 1 1 A 31 31 TYR HA H 31 4.600 4.193 0.407 1
1 176 . 7 1 1 A 31 31 TYR C C 31 176.500 175.408 1.092 1
1 177 . 7 1 1 A 31 31 TYR CA C 31 58.300 61.465 -3.165 1
1 178 . 7 1 1 A 31 31 TYR CB C 31 39.400 39.279 0.121 1
1 183 . 7 1 1 A 31 31 TYR N N 31 113.500 119.264 -5.764 1
1 184 . 7 1 1 A 32 32 SER H H 32 8.210 8.165 0.045 1
1 185 . 7 1 1 A 32 32 SER HA H 32 4.770 4.658 0.112 1
1 188 . 7 1 1 A 32 32 SER CA C 32 55.700 55.635 0.065 1
1 189 . 7 1 1 A 32 32 SER CB C 32 63.200 65.933 -2.733 1
1 190 . 7 1 1 A 32 32 SER N N 32 111.700 112.979 -1.279 1
1 191 . 7 1 1 A 33 33 PRO HA H 33 4.250 4.465 -0.215 1
1 195 . 7 1 1 A 33 33 PRO C C 33 179.000 178.917 0.083 1
1 196 . 7 1 1 A 33 33 PRO CA C 33 65.400 65.510 -0.110 1
1 197 . 7 1 1 A 33 33 PRO CB C 33 33.000 31.792 1.208 1
1 200 . 7 1 1 A 34 34 GLU H H 34 8.390 7.878 0.512 1
1 201 . 7 1 1 A 34 34 GLU HA H 34 4.130 4.159 -0.029 1
1 204 . 7 1 1 A 34 34 GLU C C 34 178.700 179.590 -0.890 1
1 205 . 7 1 1 A 34 34 GLU CA C 34 59.900 59.416 0.484 1
1 206 . 7 1 1 A 34 34 GLU CB C 34 30.000 29.339 0.661 1
1 208 . 7 1 1 A 34 34 GLU N N 34 118.500 117.864 0.636 1
1 209 . 7 1 1 A 35 35 LEU H H 35 7.970 8.321 -0.351 1
1 210 . 7 1 1 A 35 35 LEU HA H 35 4.070 4.115 -0.045 1
1 217 . 7 1 1 A 35 35 LEU CA C 35 57.400 58.071 -0.671 1
1 218 . 7 1 1 A 35 35 LEU CB C 35 42.200 41.803 0.397 1
1 221 . 7 1 1 A 35 35 LEU N N 35 122.000 120.682 1.318 1
1 222 . 7 1 1 A 36 36 ALA H H 36 7.860 8.288 -0.428 1
1 223 . 7 1 1 A 36 36 ALA HA H 36 4.040 4.008 0.032 1
1 227 . 7 1 1 A 36 36 ALA C C 36 178.600 179.033 -0.433 1
1 228 . 7 1 1 A 36 36 ALA CA C 36 56.400 55.256 1.144 1
1 229 . 7 1 1 A 36 36 ALA CB C 36 19.500 18.576 0.924 1
1 230 . 7 1 1 A 36 36 ALA N N 36 121.000 121.924 -0.924 1
1 231 . 7 1 1 A 37 37 LYS H H 37 7.910 8.349 -0.439 1
1 232 . 7 1 1 A 37 37 LYS HA H 37 4.300 3.953 0.347 1
1 237 . 7 1 1 A 37 37 LYS C C 37 177.800 179.046 -1.246 1
1 238 . 7 1 1 A 37 37 LYS CA C 37 59.700 59.789 -0.089 1
1 239 . 7 1 1 A 37 37 LYS CB C 37 32.400 32.749 -0.349 1
1 243 . 7 1 1 A 37 37 LYS N N 37 117.700 118.334 -0.634 1
1 244 . 7 1 1 A 38 38 ARG H H 38 7.640 7.701 -0.061 1
1 245 . 7 1 1 A 38 38 ARG HA H 38 4.090 4.068 0.022 1
1 251 . 7 1 1 A 38 38 ARG C C 38 179.600 178.966 0.634 1
1 252 . 7 1 1 A 38 38 ARG CA C 38 59.300 59.720 -0.420 1
1 253 . 7 1 1 A 38 38 ARG CB C 38 30.000 29.902 0.098 1
1 256 . 7 1 1 A 38 38 ARG N N 38 118.200 118.801 -0.601 1
1 257 . 7 1 1 A 39 39 TYR H H 39 7.860 8.404 -0.544 1
1 258 . 7 1 1 A 39 39 TYR HA H 39 4.290 4.382 -0.092 1
1 264 . 7 1 1 A 39 39 TYR C C 39 177.800 178.416 -0.616 1
1 265 . 7 1 1 A 39 39 TYR CA C 39 62.500 60.525 1.975 1
1 266 . 7 1 1 A 39 39 TYR CB C 39 38.300 37.773 0.527 1
1 271 . 7 1 1 A 39 39 TYR N N 39 119.200 119.765 -0.565 1
1 272 . 7 1 1 A 40 40 VAL H H 40 7.960 9.176 -1.216 1
1 273 . 7 1 1 A 40 40 VAL HA H 40 2.750 3.410 -0.660 1
1 281 . 7 1 1 A 40 40 VAL C C 40 177.800 177.608 0.192 1
1 282 . 7 1 1 A 40 40 VAL CA C 40 67.300 66.408 0.892 1
1 283 . 7 1 1 A 40 40 VAL CB C 40 31.400 31.316 0.084 1
1 286 . 7 1 1 A 40 40 VAL N N 40 120.800 119.771 1.029 1
1 287 . 7 1 1 A 41 41 GLU H H 41 8.660 7.614 1.046 1
1 288 . 7 1 1 A 41 41 GLU HA H 41 3.680 3.970 -0.290 1
1 291 . 7 1 1 A 41 41 GLU C C 41 179.900 179.092 0.808 1
1 292 . 7 1 1 A 41 41 GLU CA C 41 60.500 59.299 1.201 1
1 293 . 7 1 1 A 41 41 GLU CB C 41 29.400 29.358 0.042 1
1 295 . 7 1 1 A 41 41 GLU N N 41 117.000 119.600 -2.600 1
1 296 . 7 1 1 A 42 42 LEU H H 42 7.960 7.796 0.164 1
1 297 . 7 1 1 A 42 42 LEU HA H 42 4.130 4.065 0.065 1
1 306 . 7 1 1 A 42 42 LEU C C 42 178.300 178.268 0.032 1
1 307 . 7 1 1 A 42 42 LEU CA C 42 58.000 57.753 0.247 1
1 308 . 7 1 1 A 42 42 LEU CB C 42 42.300 41.242 1.058 1
1 312 . 7 1 1 A 42 42 LEU N N 42 120.300 121.863 -1.563 1
1 313 . 7 1 1 A 43 43 ALA H H 43 8.040 7.676 0.364 1
1 314 . 7 1 1 A 43 43 ALA HA H 43 3.740 3.912 -0.172 1
1 318 . 7 1 1 A 43 43 ALA C C 43 179.400 179.875 -0.475 1
1 319 . 7 1 1 A 43 43 ALA CA C 43 55.700 55.170 0.530 1
1 320 . 7 1 1 A 43 43 ALA CB C 43 18.500 18.391 0.109 1
1 321 . 7 1 1 A 43 43 ALA N N 43 123.600 120.950 2.650 1
1 322 . 7 1 1 A 44 44 LEU H H 44 8.340 8.026 0.314 1
1 323 . 7 1 1 A 44 44 LEU HA H 44 4.070 3.708 0.362 1
1 333 . 7 1 1 A 44 44 LEU C C 44 180.000 179.162 0.838 1
1 334 . 7 1 1 A 44 44 LEU CA C 44 57.500 57.568 -0.068 1
1 335 . 7 1 1 A 44 44 LEU CB C 44 40.800 41.583 -0.783 1
1 339 . 7 1 1 A 44 44 LEU N N 44 116.800 118.338 -1.538 1
1 340 . 7 1 1 A 45 45 LEU H H 45 7.860 8.349 -0.489 1
1 341 . 7 1 1 A 45 45 LEU HA H 45 4.170 3.881 0.289 1
1 351 . 7 1 1 A 45 45 LEU C C 45 179.600 178.473 1.127 1
1 352 . 7 1 1 A 45 45 LEU CA C 45 58.400 58.036 0.364 1
1 353 . 7 1 1 A 45 45 LEU CB C 45 42.200 41.263 0.937 1
1 357 . 7 1 1 A 45 45 LEU N N 45 122.600 120.184 2.416 1
1 358 . 7 1 1 A 46 46 VAL H H 46 8.070 8.867 -0.797 1
1 359 . 7 1 1 A 46 46 VAL HA H 46 3.610 3.443 0.167 1
1 367 . 7 1 1 A 46 46 VAL CA C 46 66.800 66.596 0.204 1
1 368 . 7 1 1 A 46 46 VAL CB C 46 31.600 31.160 0.440 1
1 370 . 7 1 1 A 46 46 VAL N N 46 120.100 119.045 1.055 1
1 371 . 7 1 1 A 47 47 GLN H H 47 8.360 8.294 0.066 1
1 372 . 7 1 1 A 47 47 GLN HA H 47 3.860 3.931 -0.071 1
1 378 . 7 1 1 A 47 47 GLN C C 47 178.000 177.940 0.060 1
1 379 . 7 1 1 A 47 47 GLN CA C 47 60.200 59.205 0.995 1
1 380 . 7 1 1 A 47 47 GLN CB C 47 27.800 28.319 -0.519 1
1 382 . 7 1 1 A 47 47 GLN N N 47 120.000 119.475 0.525 1
1 384 . 7 1 1 A 48 48 GLN H H 48 8.110 8.223 -0.113 1
1 385 . 7 1 1 A 48 48 GLN HA H 48 4.080 4.009 0.071 1
1 392 . 7 1 1 A 48 48 GLN C C 48 178.500 178.174 0.326 1
1 393 . 7 1 1 A 48 48 GLN CA C 48 58.900 58.744 0.156 1
1 394 . 7 1 1 A 48 48 GLN CB C 48 29.400 28.357 1.043 1
1 396 . 7 1 1 A 48 48 GLN N N 48 117.600 117.317 0.283 1
1 398 . 7 1 1 A 49 49 LYS H H 49 8.110 7.935 0.175 1
1 399 . 7 1 1 A 49 49 LYS HA H 49 4.190 4.016 0.174 1
1 405 . 7 1 1 A 49 49 LYS C C 49 177.800 179.206 -1.406 1
1 406 . 7 1 1 A 49 49 LYS CA C 49 58.600 59.248 -0.648 1
1 407 . 7 1 1 A 49 49 LYS CB C 49 33.000 32.127 0.873 1
1 411 . 7 1 1 A 49 49 LYS N N 49 118.100 119.516 -1.416 1
1 412 . 7 1 1 A 50 50 ALA H H 50 8.240 7.958 0.282 1
1 413 . 7 1 1 A 50 50 ALA HA H 50 4.460 4.302 0.158 1
1 417 . 7 1 1 A 50 50 ALA C C 50 176.700 177.212 -0.512 1
1 418 . 7 1 1 A 50 50 ALA CA C 50 52.700 52.626 0.074 1
1 419 . 7 1 1 A 50 50 ALA CB C 50 21.100 19.346 1.754 1
1 420 . 7 1 1 A 50 50 ALA N N 50 119.000 119.028 -0.028 1
1 421 . 7 1 1 A 51 51 LYS H H 51 8.000 7.832 0.168 1
1 422 . 7 1 1 A 51 51 LYS HA H 51 4.030 3.946 0.084 1
1 429 . 7 1 1 A 51 51 LYS C C 51 175.800 175.462 0.338 1
1 430 . 7 1 1 A 51 51 LYS CA C 51 57.500 57.159 0.341 1
1 431 . 7 1 1 A 51 51 LYS CB C 51 29.500 30.920 -1.420 1
1 435 . 7 1 1 A 51 51 LYS N N 51 114.500 117.538 -3.038 1
1 436 . 7 1 1 A 52 52 VAL H H 52 7.000 7.407 -0.407 1
1 437 . 7 1 1 A 52 52 VAL HA H 52 4.570 4.733 -0.163 1
1 445 . 7 1 1 A 52 52 VAL C C 52 175.000 174.304 0.696 1
1 446 . 7 1 1 A 52 52 VAL CA C 52 59.600 60.015 -0.415 1
1 447 . 7 1 1 A 52 52 VAL CB C 52 34.900 34.567 0.333 1
1 450 . 7 1 1 A 52 52 VAL N N 52 111.600 114.747 -3.147 1
1 451 . 7 1 1 A 53 53 LYS H H 53 8.150 8.851 -0.701 1
1 452 . 7 1 1 A 53 53 LYS HA H 53 4.510 4.658 -0.148 1
1 454 . 7 1 1 A 53 53 LYS C C 53 176.800 174.933 1.867 1
1 455 . 7 1 1 A 53 53 LYS CA C 53 55.700 55.932 -0.232 1
1 456 . 7 1 1 A 53 53 LYS CB C 53 34.000 33.256 0.744 1
1 457 . 7 1 1 A 53 53 LYS N N 53 120.800 124.383 -3.583 1
1 458 . 7 1 1 A 54 54 ILE H H 54 8.370 8.650 -0.280 1
1 459 . 7 1 1 A 54 54 ILE HA H 54 4.530 4.710 -0.180 1
1 469 . 7 1 1 A 54 54 ILE CA C 54 58.700 57.877 0.823 1
1 470 . 7 1 1 A 54 54 ILE CB C 54 38.400 39.622 -1.222 1
1 474 . 7 1 1 A 54 54 ILE N N 54 122.500 127.316 -4.816 1
1 475 . 7 1 1 A 57 57 LYS HA H 57 3.780 3.735 0.045 1
1 484 . 7 1 1 A 57 57 LYS C C 57 176.300 177.811 -1.511 1
1 485 . 7 1 1 A 57 57 LYS CA C 57 59.000 58.682 0.318 1
1 486 . 7 1 1 A 57 57 LYS CB C 57 32.300 31.808 0.492 1
1 490 . 7 1 1 A 58 58 TRP H H 58 7.250 7.318 -0.068 1
1 491 . 7 1 1 A 58 58 TRP HA H 58 4.850 4.439 0.411 1
1 500 . 7 1 1 A 58 58 TRP C C 58 176.800 178.766 -1.966 1
1 501 . 7 1 1 A 58 58 TRP CA C 58 55.400 58.790 -3.390 1
1 502 . 7 1 1 A 58 58 TRP CB C 58 31.300 30.763 0.537 1
1 508 . 7 1 1 A 58 58 TRP N N 58 116.300 118.479 -2.179 1
1 510 . 7 1 1 A 59 59 LYS H H 59 7.310 8.162 -0.852 1
1 511 . 7 1 1 A 59 59 LYS HA H 59 3.960 3.666 0.294 1
1 517 . 7 1 1 A 59 59 LYS CA C 59 60.600 59.877 0.723 1
1 518 . 7 1 1 A 59 59 LYS CB C 59 33.500 32.487 1.013 1
1 522 . 7 1 1 A 59 59 LYS N N 59 118.600 121.641 -3.041 1
1 523 . 7 1 1 A 60 60 ARG HA H 60 4.540 4.489 0.051 1
1 528 . 7 1 1 A 60 60 ARG C C 60 177.200 176.996 0.204 1
1 529 . 7 1 1 A 60 60 ARG CA C 60 55.400 56.364 -0.964 1
1 530 . 7 1 1 A 60 60 ARG CB C 60 30.400 30.504 -0.104 1
1 533 . 7 1 1 A 61 61 ARG H H 61 7.620 7.585 0.035 1
1 534 . 7 1 1 A 61 61 ARG HA H 61 4.250 4.495 -0.245 1
1 537 . 7 1 1 A 61 61 ARG C C 61 172.300 174.645 -2.345 1
1 538 . 7 1 1 A 61 61 ARG CA C 61 54.400 55.285 -0.885 1
1 539 . 7 1 1 A 61 61 ARG CB C 61 27.900 30.063 -2.163 1
1 541 . 7 1 1 A 61 61 ARG N N 61 116.000 117.827 -1.827 1
1 542 . 7 1 1 A 62 62 TYR H H 62 6.980 7.766 -0.786 1
1 543 . 7 1 1 A 62 62 TYR HA H 62 5.860 5.595 0.265 1
1 550 . 7 1 1 A 62 62 TYR C C 62 173.100 172.441 0.659 1
1 551 . 7 1 1 A 62 62 TYR CA C 62 55.000 56.171 -1.171 1
1 552 . 7 1 1 A 62 62 TYR CB C 62 43.000 41.037 1.963 1
1 557 . 7 1 1 A 62 62 TYR N N 62 112.300 116.565 -4.265 1
1 558 . 7 1 1 A 63 63 CYS H H 63 9.220 8.480 0.740 1
1 559 . 7 1 1 A 63 63 CYS HA H 63 4.280 4.547 -0.267 1
1 562 . 7 1 1 A 63 63 CYS C C 63 178.000 176.116 1.884 1
1 563 . 7 1 1 A 63 63 CYS CA C 63 59.900 57.792 2.108 1
1 564 . 7 1 1 A 63 63 CYS CB C 63 32.300 29.409 2.891 1
1 565 . 7 1 1 A 63 63 CYS N N 63 124.100 120.779 3.321 1
1 566 . 7 1 1 A 64 64 LYS H H 64 7.820 8.651 -0.831 1
1 567 . 7 1 1 A 64 64 LYS HA H 64 4.240 3.700 0.540 1
1 571 . 7 1 1 A 64 64 LYS C C 64 175.400 178.865 -3.465 1
1 572 . 7 1 1 A 64 64 LYS CA C 64 59.500 60.016 -0.516 1
1 573 . 7 1 1 A 64 64 LYS CB C 64 33.600 32.274 1.326 1
1 577 . 7 1 1 A 64 64 LYS N N 64 129.300 126.311 2.989 1
1 578 . 7 1 1 A 65 65 LYS H H 65 9.270 7.700 1.570 1
1 579 . 7 1 1 A 65 65 LYS HA H 65 4.250 3.896 0.354 1
1 586 . 7 1 1 A 65 65 LYS C C 65 176.300 178.490 -2.190 1
1 587 . 7 1 1 A 65 65 LYS CA C 65 58.500 59.015 -0.515 1
1 588 . 7 1 1 A 65 65 LYS CB C 65 33.700 32.424 1.276 1
1 592 . 7 1 1 A 65 65 LYS N N 65 122.500 119.706 2.794 1
1 593 . 7 1 1 A 66 66 CYS H H 66 9.190 7.735 1.455 1
1 594 . 7 1 1 A 66 66 CYS HA H 66 4.560 4.357 0.203 1
1 597 . 7 1 1 A 66 66 CYS C C 66 176.200 174.578 1.622 1
1 598 . 7 1 1 A 66 66 CYS CA C 66 59.700 61.263 -1.563 1
1 599 . 7 1 1 A 66 66 CYS CB C 66 32.200 28.108 4.092 1
1 600 . 7 1 1 A 66 66 CYS N N 66 121.200 117.067 4.133 1
1 601 . 7 1 1 A 67 67 HIS H H 67 7.700 8.312 -0.612 1
1 602 . 7 1 1 A 67 67 HIS HA H 67 4.850 4.374 0.476 1
1 604 . 7 1 1 A 67 67 HIS C C 67 171.000 173.837 -2.837 1
1 605 . 7 1 1 A 67 67 HIS CA C 67 56.200 57.057 -0.857 1
1 606 . 7 1 1 A 67 67 HIS CB C 67 26.800 26.745 0.055 1
1 607 . 7 1 1 A 67 67 HIS N N 67 114.200 116.040 -1.840 1
1 608 . 7 1 1 A 68 68 ALA H H 68 8.720 7.704 1.016 1
1 609 . 7 1 1 A 68 68 ALA HA H 68 4.230 4.980 -0.750 1
1 613 . 7 1 1 A 68 68 ALA C C 68 177.800 176.041 1.759 1
1 614 . 7 1 1 A 68 68 ALA CA C 68 53.800 50.248 3.552 1
1 615 . 7 1 1 A 68 68 ALA CB C 68 19.800 22.793 -2.993 1
1 616 . 7 1 1 A 68 68 ALA N N 68 119.600 119.559 0.041 1
1 617 . 7 1 1 A 69 69 PHE H H 69 8.500 8.786 -0.286 1
1 618 . 7 1 1 A 69 69 PHE HA H 69 4.590 5.136 -0.546 1
1 626 . 7 1 1 A 69 69 PHE C C 69 174.200 173.968 0.232 1
1 627 . 7 1 1 A 69 69 PHE CA C 69 58.300 59.322 -1.022 1
1 628 . 7 1 1 A 69 69 PHE CB C 69 40.900 39.026 1.874 1
1 634 . 7 1 1 A 69 69 PHE N N 69 122.200 121.962 0.238 1
1 635 . 7 1 1 A 70 70 LEU H H 70 7.550 9.213 -1.663 1
1 636 . 7 1 1 A 70 70 LEU HA H 70 4.540 5.370 -0.830 1
1 645 . 7 1 1 A 70 70 LEU C C 70 176.000 175.609 0.391 1
1 646 . 7 1 1 A 70 70 LEU CA C 70 53.700 53.818 -0.118 1
1 647 . 7 1 1 A 70 70 LEU CB C 70 43.600 44.303 -0.703 1
1 651 . 7 1 1 A 70 70 LEU N N 70 124.700 129.557 -4.857 1
1 652 . 7 1 1 A 71 71 VAL H H 71 9.700 8.954 0.746 1
1 653 . 7 1 1 A 71 71 VAL HA H 71 4.140 4.704 -0.564 1
1 661 . 7 1 1 A 71 71 VAL CA C 71 59.600 59.243 0.357 1
1 662 . 7 1 1 A 71 71 VAL CB C 71 34.000 36.099 -2.099 1
1 665 . 7 1 1 A 71 71 VAL N N 71 125.800 127.503 -1.703 1
1 666 . 7 1 1 A 72 72 PRO HA H 72 4.170 4.525 -0.355 1
1 673 . 7 1 1 A 72 72 PRO C C 72 176.200 177.311 -1.111 1
1 674 . 7 1 1 A 72 72 PRO CA C 72 64.100 63.715 0.385 1
1 675 . 7 1 1 A 72 72 PRO CB C 72 32.200 31.648 0.552 1
1 678 . 7 1 1 A 73 73 GLY H H 73 8.500 9.159 -0.659 1
1 679 . 7 1 1 A 73 73 GLY HA2 H 73 3.860 3.835 0.025 1
1 680 . 7 1 1 A 73 73 GLY HA3 H 73 4.550 3.859 0.691 1
1 681 . 7 1 1 A 73 73 GLY CA C 73 45.700 45.337 0.363 1
1 682 . 7 1 1 A 73 73 GLY N N 73 112.200 111.055 1.145 1
1 683 . 7 1 1 A 74 74 ILE H H 74 8.360 7.374 0.986 1
1 684 . 7 1 1 A 74 74 ILE HA H 74 4.580 4.065 0.515 1
1 694 . 7 1 1 A 74 74 ILE C C 74 175.700 177.479 -1.779 1
1 695 . 7 1 1 A 74 74 ILE CA C 74 62.700 63.018 -0.318 1
1 696 . 7 1 1 A 74 74 ILE CB C 74 38.400 37.727 0.673 1
1 700 . 7 1 1 A 74 74 ILE N N 74 120.200 120.379 -0.179 1
1 701 . 7 1 1 A 75 75 ASN H H 75 8.470 8.288 0.182 1
1 702 . 7 1 1 A 75 75 ASN HA H 75 4.970 4.886 0.084 1
1 706 . 7 1 1 A 75 75 ASN C C 75 172.900 174.599 -1.699 1
1 707 . 7 1 1 A 75 75 ASN CA C 75 52.600 52.781 -0.181 1
1 708 . 7 1 1 A 75 75 ASN CB C 75 38.600 38.725 -0.125 1
1 709 . 7 1 1 A 75 75 ASN N N 75 116.400 115.616 0.784 1
1 711 . 7 1 1 A 76 76 ALA H H 76 7.250 7.698 -0.448 1
1 712 . 7 1 1 A 76 76 ALA HA H 76 5.510 5.371 0.139 1
1 716 . 7 1 1 A 76 76 ALA C C 76 176.200 175.079 1.121 1
1 717 . 7 1 1 A 76 76 ALA CA C 76 50.400 51.591 -1.191 1
1 718 . 7 1 1 A 76 76 ALA CB C 76 23.200 23.028 0.172 1
1 719 . 7 1 1 A 76 76 ALA N N 76 117.400 119.645 -2.245 1
1 720 . 7 1 1 A 77 77 ARG H H 77 8.850 8.943 -0.093 1
1 721 . 7 1 1 A 77 77 ARG HA H 77 4.950 5.141 -0.191 1
1 728 . 7 1 1 A 77 77 ARG CA C 77 54.800 54.595 0.205 1
1 729 . 7 1 1 A 77 77 ARG CB C 77 33.700 34.102 -0.402 1
1 732 . 7 1 1 A 77 77 ARG N N 77 123.000 121.572 1.428 1
1 733 . 7 1 1 A 78 78 VAL H H 78 8.920 8.996 -0.076 1
1 734 . 7 1 1 A 78 78 VAL HA H 78 4.730 5.425 -0.695 1
1 742 . 7 1 1 A 78 78 VAL CA C 78 61.400 59.634 1.766 1
1 743 . 7 1 1 A 78 78 VAL CB C 78 34.400 34.771 -0.371 1
1 746 . 7 1 1 A 78 78 VAL N N 78 127.400 123.858 3.542 1
1 747 . 7 1 1 A 79 79 ARG H H 79 9.000 9.219 -0.219 1
1 748 . 7 1 1 A 79 79 ARG HA H 79 4.750 5.065 -0.315 1
1 754 . 7 1 1 A 79 79 ARG CA C 79 54.400 54.368 0.032 1
1 755 . 7 1 1 A 79 79 ARG CB C 79 34.300 33.596 0.704 1
1 758 . 7 1 1 A 79 79 ARG N N 79 126.400 129.590 -3.190 1
1 759 . 7 1 1 A 80 80 LEU H H 80 8.480 9.104 -0.624 1
1 760 . 7 1 1 A 80 80 LEU HA H 80 4.690 4.951 -0.261 1
1 770 . 7 1 1 A 80 80 LEU CA C 80 54.600 53.907 0.693 1
1 771 . 7 1 1 A 80 80 LEU CB C 80 43.500 42.706 0.794 1
1 775 . 7 1 1 A 80 80 LEU N N 80 124.700 128.231 -3.531 1
1 776 . 7 1 1 A 81 81 ARG H H 81 8.800 9.284 -0.484 1
1 777 . 7 1 1 A 81 81 ARG HA H 81 4.540 4.772 -0.232 1
1 781 . 7 1 1 A 81 81 ARG CA C 81 54.600 55.625 -1.025 1
1 782 . 7 1 1 A 81 81 ARG CB C 81 31.600 31.748 -0.148 1
1 785 . 7 1 1 A 81 81 ARG N N 81 126.100 124.965 1.135 1
1 786 . 7 1 1 A 86 86 PRO HA H 86 4.700 4.882 -0.182 1
1 792 . 7 1 1 A 86 86 PRO C C 86 176.400 175.391 1.009 1
1 793 . 7 1 1 A 86 86 PRO CA C 86 64.000 62.808 1.192 1
1 794 . 7 1 1 A 86 86 PRO CB C 86 32.600 32.576 0.024 1
1 796 . 7 1 1 A 87 87 HIS H H 87 8.560 8.301 0.259 1
1 797 . 7 1 1 A 87 87 HIS HA H 87 5.140 5.043 0.097 1
1 800 . 7 1 1 A 87 87 HIS C C 87 172.600 173.192 -0.592 1
1 801 . 7 1 1 A 87 87 HIS CA C 87 56.000 55.881 0.119 1
1 802 . 7 1 1 A 87 87 HIS CB C 87 32.400 33.416 -1.016 1
1 803 . 7 1 1 A 87 87 HIS N N 87 118.700 122.349 -3.649 1
1 804 . 7 1 1 A 88 88 ILE H H 88 9.250 8.238 1.012 1
1 805 . 7 1 1 A 88 88 ILE HA H 88 4.710 5.261 -0.551 1
1 815 . 7 1 1 A 88 88 ILE CA C 88 60.200 59.140 1.060 1
1 816 . 7 1 1 A 88 88 ILE CB C 88 40.600 41.600 -1.000 1
1 820 . 7 1 1 A 88 88 ILE N N 88 120.600 122.699 -2.099 1
1 821 . 7 1 1 A 89 89 VAL H H 89 9.050 9.319 -0.269 1
1 822 . 7 1 1 A 89 89 VAL HA H 89 4.800 5.194 -0.394 1
1 830 . 7 1 1 A 89 89 VAL C C 89 175.000 174.734 0.266 1
1 831 . 7 1 1 A 89 89 VAL CA C 89 61.400 60.163 1.237 1
1 832 . 7 1 1 A 89 89 VAL CB C 89 34.400 34.355 0.045 1
1 835 . 7 1 1 A 90 90 VAL H H 90 9.340 9.565 -0.225 1
1 836 . 7 1 1 A 90 90 VAL HA H 90 5.160 5.365 -0.205 1
1 844 . 7 1 1 A 90 90 VAL C C 90 173.600 175.226 -1.626 1
1 845 . 7 1 1 A 90 90 VAL CA C 90 61.400 60.824 0.576 1
1 846 . 7 1 1 A 90 90 VAL CB C 90 34.100 34.567 -0.467 1
1 849 . 7 1 1 A 90 90 VAL N N 90 128.000 125.503 2.497 1
1 850 . 7 1 1 A 91 91 LYS H H 91 9.030 9.130 -0.100 1
1 851 . 7 1 1 A 91 91 LYS HA H 91 5.160 5.421 -0.261 1
1 858 . 7 1 1 A 91 91 LYS C C 91 175.300 174.808 0.492 1
1 859 . 7 1 1 A 91 91 LYS CA C 91 54.100 54.758 -0.658 1
1 860 . 7 1 1 A 91 91 LYS CB C 91 36.600 35.213 1.387 1
1 864 . 7 1 1 A 91 91 LYS N N 91 128.100 124.830 3.270 1
1 865 . 7 1 1 A 92 92 CYS H H 92 9.050 8.534 0.516 1
1 866 . 7 1 1 A 92 92 CYS HA H 92 4.950 5.139 -0.189 1
1 869 . 7 1 1 A 92 92 CYS C C 92 177.300 175.554 1.746 1
1 870 . 7 1 1 A 92 92 CYS CA C 92 59.600 56.922 2.678 1
1 871 . 7 1 1 A 92 92 CYS CB C 92 32.600 30.815 1.785 1
1 872 . 7 1 1 A 92 92 CYS N N 92 129.900 122.561 7.339 1
1 873 . 7 1 1 A 93 93 LEU H H 93 8.910 9.696 -0.786 1
1 874 . 7 1 1 A 93 93 LEU HA H 93 4.480 3.989 0.491 1
1 884 . 7 1 1 A 93 93 LEU C C 93 178.100 178.442 -0.342 1
1 885 . 7 1 1 A 93 93 LEU CA C 93 55.300 58.254 -2.954 1
1 886 . 7 1 1 A 93 93 LEU CB C 93 40.500 41.507 -1.007 1
1 890 . 7 1 1 A 93 93 LEU N N 93 127.300 129.869 -2.569 1
1 891 . 7 1 1 A 94 94 GLU H H 94 9.460 8.335 1.125 1
1 892 . 7 1 1 A 94 94 GLU HA H 94 4.420 3.991 0.429 1
1 897 . 7 1 1 A 94 94 GLU C C 94 178.400 178.627 -0.227 1
1 898 . 7 1 1 A 94 94 GLU CA C 94 59.700 59.785 -0.085 1
1 899 . 7 1 1 A 94 94 GLU CB C 94 29.900 29.282 0.618 1
1 901 . 7 1 1 A 94 94 GLU N N 94 122.900 118.559 4.341 1
1 902 . 7 1 1 A 95 95 CYS H H 95 9.110 7.594 1.516 1
1 903 . 7 1 1 A 95 95 CYS HA H 95 5.140 4.471 0.669 1
1 906 . 7 1 1 A 95 95 CYS C C 95 176.900 176.045 0.855 1
1 907 . 7 1 1 A 95 95 CYS CA C 95 58.900 59.904 -1.004 1
1 908 . 7 1 1 A 95 95 CYS CB C 95 33.600 28.883 4.717 1
1 909 . 7 1 1 A 95 95 CYS N N 95 119.200 115.915 3.285 1
1 910 . 7 1 1 A 96 96 GLY H H 96 8.000 9.325 -1.325 1
1 911 . 7 1 1 A 96 96 GLY HA2 H 96 3.850 3.927 -0.077 1
1 912 . 7 1 1 A 96 96 GLY C C 96 174.100 173.901 0.199 1
1 913 . 7 1 1 A 96 96 GLY CA C 96 46.500 45.926 0.574 1
1 914 . 7 1 1 A 96 96 GLY N N 96 115.300 111.071 4.229 1
1 915 . 7 1 1 A 97 97 HIS H H 97 9.310 7.338 1.972 1
1 916 . 7 1 1 A 97 97 HIS HA H 97 4.500 4.902 -0.402 1
1 919 . 7 1 1 A 97 97 HIS C C 97 173.200 173.776 -0.576 1
1 920 . 7 1 1 A 97 97 HIS CA C 97 58.600 55.023 3.577 1
1 921 . 7 1 1 A 97 97 HIS CB C 97 33.000 32.858 0.142 1
1 922 . 7 1 1 A 97 97 HIS N N 97 125.300 117.278 8.022 1
1 923 . 7 1 1 A 98 98 ILE H H 98 6.890 8.933 -2.043 1
1 924 . 7 1 1 A 98 98 ILE HA H 98 4.760 4.868 -0.108 1
1 934 . 7 1 1 A 98 98 ILE C C 98 175.000 174.053 0.947 1
1 935 . 7 1 1 A 98 98 ILE CA C 98 60.000 60.464 -0.464 1
1 936 . 7 1 1 A 98 98 ILE CB C 98 40.200 40.142 0.058 1
1 940 . 7 1 1 A 98 98 ILE N N 98 123.600 123.573 0.027 1
1 941 . 7 1 1 A 99 99 MET H H 99 9.050 9.533 -0.483 1
1 942 . 7 1 1 A 99 99 MET HA H 99 4.630 5.300 -0.670 1
1 950 . 7 1 1 A 99 99 MET C C 99 173.100 174.858 -1.758 1
1 951 . 7 1 1 A 99 99 MET CA C 99 54.400 53.539 0.861 1
1 952 . 7 1 1 A 99 99 MET CB C 99 37.900 34.831 3.069 1
1 955 . 7 1 1 A 99 99 MET N N 99 126.400 128.272 -1.872 1
1 956 . 7 1 1 A 100 100 ARG H H 100 7.930 8.834 -0.904 1
1 957 . 7 1 1 A 100 100 ARG HA H 100 5.370 4.918 0.452 1
1 963 . 7 1 1 A 100 100 ARG C C 100 175.200 175.020 0.180 1
1 964 . 7 1 1 A 100 100 ARG CA C 100 54.700 55.097 -0.397 1
1 965 . 7 1 1 A 100 100 ARG CB C 100 33.600 32.844 0.756 1
1 968 . 7 1 1 A 100 100 ARG N N 100 120.200 122.424 -2.224 1
1 969 . 7 1 1 A 101 101 TYR H H 101 9.110 8.964 0.146 1
1 970 . 7 1 1 A 101 101 TYR HA H 101 5.130 5.124 0.006 1
1 977 . 7 1 1 A 101 101 TYR CA C 101 55.300 54.882 0.418 1
1 978 . 7 1 1 A 101 101 TYR CB C 101 40.900 39.316 1.584 1
1 983 . 7 1 1 A 101 101 TYR N N 101 121.100 122.612 -1.512 1
1 1 . 8 1 1 A 18 18 ILE HA H 18 3.610 3.724 -0.114 1
1 11 . 8 1 1 A 18 18 ILE C C 18 176.800 177.623 -0.823 1
1 12 . 8 1 1 A 18 18 ILE CA C 18 66.700 65.661 1.039 1
1 13 . 8 1 1 A 18 18 ILE CB C 18 38.600 37.563 1.037 1
1 17 . 8 1 1 A 19 19 ASP H H 19 8.050 8.526 -0.476 1
1 18 . 8 1 1 A 19 19 ASP HA H 19 4.580 4.374 0.206 1
1 21 . 8 1 1 A 19 19 ASP CA C 19 58.200 57.970 0.230 1
1 22 . 8 1 1 A 19 19 ASP CB C 19 42.500 41.830 0.670 1
1 23 . 8 1 1 A 19 19 ASP N N 19 119.100 120.463 -1.363 1
1 24 . 8 1 1 A 20 20 ILE H H 20 8.240 8.150 0.090 1
1 25 . 8 1 1 A 20 20 ILE HA H 20 3.730 3.728 0.002 1
1 35 . 8 1 1 A 20 20 ILE CA C 20 65.000 65.524 -0.524 1
1 36 . 8 1 1 A 20 20 ILE CB C 20 38.300 37.772 0.528 1
1 40 . 8 1 1 A 20 20 ILE N N 20 120.400 119.848 0.552 1
1 41 . 8 1 1 A 21 21 LEU H H 21 7.870 8.322 -0.452 1
1 42 . 8 1 1 A 21 21 LEU HA H 21 4.440 3.978 0.462 1
1 49 . 8 1 1 A 21 21 LEU C C 21 178.700 179.306 -0.606 1
1 50 . 8 1 1 A 21 21 LEU CA C 21 59.800 58.163 1.637 1
1 51 . 8 1 1 A 21 21 LEU CB C 21 42.200 41.922 0.278 1
1 54 . 8 1 1 A 21 21 LEU N N 21 121.100 118.872 2.228 1
1 55 . 8 1 1 A 22 22 PHE H H 22 7.820 9.006 -1.186 1
1 56 . 8 1 1 A 22 22 PHE HA H 22 3.480 4.428 -0.948 1
1 63 . 8 1 1 A 22 22 PHE C C 22 177.300 177.567 -0.267 1
1 64 . 8 1 1 A 22 22 PHE CA C 22 63.100 62.098 1.002 1
1 65 . 8 1 1 A 22 22 PHE CB C 22 36.400 39.207 -2.807 1
1 70 . 8 1 1 A 22 22 PHE N N 22 116.900 119.775 -2.875 1
1 71 . 8 1 1 A 23 23 SER H H 23 7.940 8.272 -0.332 1
1 72 . 8 1 1 A 23 23 SER HA H 23 4.520 4.095 0.425 1
1 75 . 8 1 1 A 23 23 SER C C 23 177.300 177.426 -0.126 1
1 76 . 8 1 1 A 23 23 SER CA C 23 63.500 61.517 1.983 1
1 77 . 8 1 1 A 23 23 SER CB C 23 62.900 62.946 -0.046 1
1 78 . 8 1 1 A 23 23 SER N N 23 114.400 114.385 0.015 1
1 79 . 8 1 1 A 24 24 LEU H H 24 8.050 8.050 0.000 1
1 80 . 8 1 1 A 24 24 LEU HA H 24 3.820 3.942 -0.122 1
1 89 . 8 1 1 A 24 24 LEU C C 24 178.200 178.841 -0.641 1
1 90 . 8 1 1 A 24 24 LEU CA C 24 58.100 57.446 0.654 1
1 91 . 8 1 1 A 24 24 LEU CB C 24 40.700 41.447 -0.747 1
1 95 . 8 1 1 A 24 24 LEU N N 24 124.700 120.980 3.720 1
1 96 . 8 1 1 A 25 25 ALA H H 25 7.590 9.066 -1.476 1
1 97 . 8 1 1 A 25 25 ALA HA H 25 3.820 3.983 -0.163 1
1 101 . 8 1 1 A 25 25 ALA C C 25 177.700 179.529 -1.829 1
1 102 . 8 1 1 A 25 25 ALA CA C 25 55.800 55.500 0.300 1
1 103 . 8 1 1 A 25 25 ALA CB C 25 18.400 18.318 0.082 1
1 104 . 8 1 1 A 25 25 ALA N N 25 122.400 122.060 0.340 1
1 105 . 8 1 1 A 26 26 GLU H H 26 7.690 7.852 -0.162 1
1 106 . 8 1 1 A 26 26 GLU HA H 26 4.270 3.717 0.553 1
1 111 . 8 1 1 A 26 26 GLU C C 26 178.600 178.495 0.105 1
1 112 . 8 1 1 A 26 26 GLU CA C 26 60.000 58.927 1.073 1
1 113 . 8 1 1 A 26 26 GLU CB C 26 31.100 29.128 1.972 1
1 115 . 8 1 1 A 26 26 GLU N N 26 116.000 119.569 -3.569 1
1 116 . 8 1 1 A 27 27 ARG H H 27 7.670 7.413 0.257 1
1 117 . 8 1 1 A 27 27 ARG HA H 27 4.190 3.977 0.213 1
1 122 . 8 1 1 A 27 27 ARG C C 27 178.400 178.065 0.335 1
1 123 . 8 1 1 A 27 27 ARG CA C 27 58.800 58.498 0.302 1
1 124 . 8 1 1 A 27 27 ARG CB C 27 30.700 29.736 0.964 1
1 127 . 8 1 1 A 27 27 ARG N N 27 116.700 120.414 -3.714 1
1 128 . 8 1 1 A 28 28 VAL H H 28 8.230 7.785 0.445 1
1 129 . 8 1 1 A 28 28 VAL HA H 28 4.530 3.656 0.874 1
1 137 . 8 1 1 A 28 28 VAL C C 28 176.500 178.044 -1.544 1
1 138 . 8 1 1 A 28 28 VAL CA C 28 62.600 64.998 -2.398 1
1 139 . 8 1 1 A 28 28 VAL CB C 28 33.000 31.328 1.672 1
1 142 . 8 1 1 A 28 28 VAL N N 28 112.600 118.459 -5.859 1
1 143 . 8 1 1 A 29 29 PHE H H 29 8.020 8.236 -0.216 1
1 144 . 8 1 1 A 29 29 PHE HA H 29 3.960 4.290 -0.330 1
1 151 . 8 1 1 A 29 29 PHE CA C 29 64.500 62.639 1.861 1
1 152 . 8 1 1 A 29 29 PHE CB C 29 37.300 37.034 0.266 1
1 157 . 8 1 1 A 29 29 PHE N N 29 124.600 122.566 2.034 1
1 158 . 8 1 1 A 30 30 PRO HA H 30 4.150 4.046 0.104 1
1 163 . 8 1 1 A 30 30 PRO C C 30 176.600 178.703 -2.103 1
1 164 . 8 1 1 A 30 30 PRO CA C 30 65.600 65.805 -0.205 1
1 165 . 8 1 1 A 30 30 PRO CB C 30 31.400 30.819 0.581 1
1 168 . 8 1 1 A 31 31 TYR H H 31 7.540 8.573 -1.033 1
1 169 . 8 1 1 A 31 31 TYR HA H 31 4.600 4.312 0.288 1
1 176 . 8 1 1 A 31 31 TYR C C 31 176.500 176.706 -0.206 1
1 177 . 8 1 1 A 31 31 TYR CA C 31 58.300 60.868 -2.568 1
1 178 . 8 1 1 A 31 31 TYR CB C 31 39.400 38.224 1.176 1
1 183 . 8 1 1 A 31 31 TYR N N 31 113.500 117.710 -4.210 1
1 184 . 8 1 1 A 32 32 SER H H 32 8.210 8.228 -0.018 1
1 185 . 8 1 1 A 32 32 SER HA H 32 4.770 4.812 -0.042 1
1 188 . 8 1 1 A 32 32 SER CA C 32 55.700 55.875 -0.175 1
1 189 . 8 1 1 A 32 32 SER CB C 32 63.200 65.295 -2.095 1
1 190 . 8 1 1 A 32 32 SER N N 32 111.700 111.596 0.104 1
1 191 . 8 1 1 A 33 33 PRO HA H 33 4.250 4.676 -0.426 1
1 195 . 8 1 1 A 33 33 PRO C C 33 179.000 178.997 0.003 1
1 196 . 8 1 1 A 33 33 PRO CA C 33 65.400 65.518 -0.118 1
1 197 . 8 1 1 A 33 33 PRO CB C 33 33.000 31.834 1.166 1
1 200 . 8 1 1 A 34 34 GLU H H 34 8.390 8.306 0.084 1
1 201 . 8 1 1 A 34 34 GLU HA H 34 4.130 4.156 -0.026 1
1 204 . 8 1 1 A 34 34 GLU C C 34 178.700 179.614 -0.914 1
1 205 . 8 1 1 A 34 34 GLU CA C 34 59.900 59.431 0.469 1
1 206 . 8 1 1 A 34 34 GLU CB C 34 30.000 29.325 0.675 1
1 208 . 8 1 1 A 34 34 GLU N N 34 118.500 117.875 0.625 1
1 209 . 8 1 1 A 35 35 LEU H H 35 7.970 8.620 -0.650 1
1 210 . 8 1 1 A 35 35 LEU HA H 35 4.070 4.006 0.064 1
1 217 . 8 1 1 A 35 35 LEU CA C 35 57.400 58.065 -0.665 1
1 218 . 8 1 1 A 35 35 LEU CB C 35 42.200 41.868 0.332 1
1 221 . 8 1 1 A 35 35 LEU N N 35 122.000 120.709 1.291 1
1 222 . 8 1 1 A 36 36 ALA H H 36 7.860 8.516 -0.656 1
1 223 . 8 1 1 A 36 36 ALA HA H 36 4.040 4.194 -0.154 1
1 227 . 8 1 1 A 36 36 ALA C C 36 178.600 179.095 -0.495 1
1 228 . 8 1 1 A 36 36 ALA CA C 36 56.400 55.400 1.000 1
1 229 . 8 1 1 A 36 36 ALA CB C 36 19.500 18.551 0.949 1
1 230 . 8 1 1 A 36 36 ALA N N 36 121.000 121.982 -0.982 1
1 231 . 8 1 1 A 37 37 LYS H H 37 7.910 8.516 -0.606 1
1 232 . 8 1 1 A 37 37 LYS HA H 37 4.300 3.946 0.354 1
1 237 . 8 1 1 A 37 37 LYS C C 37 177.800 178.840 -1.040 1
1 238 . 8 1 1 A 37 37 LYS CA C 37 59.700 59.801 -0.101 1
1 239 . 8 1 1 A 37 37 LYS CB C 37 32.400 32.717 -0.317 1
1 243 . 8 1 1 A 37 37 LYS N N 37 117.700 118.223 -0.523 1
1 244 . 8 1 1 A 38 38 ARG H H 38 7.640 7.508 0.132 1
1 245 . 8 1 1 A 38 38 ARG HA H 38 4.090 3.943 0.147 1
1 251 . 8 1 1 A 38 38 ARG C C 38 179.600 178.708 0.892 1
1 252 . 8 1 1 A 38 38 ARG CA C 38 59.300 59.544 -0.244 1
1 253 . 8 1 1 A 38 38 ARG CB C 38 30.000 29.678 0.322 1
1 256 . 8 1 1 A 38 38 ARG N N 38 118.200 118.563 -0.363 1
1 257 . 8 1 1 A 39 39 TYR H H 39 7.860 7.977 -0.117 1
1 258 . 8 1 1 A 39 39 TYR HA H 39 4.290 4.377 -0.087 1
1 264 . 8 1 1 A 39 39 TYR C C 39 177.800 178.469 -0.669 1
1 265 . 8 1 1 A 39 39 TYR CA C 39 62.500 60.345 2.155 1
1 266 . 8 1 1 A 39 39 TYR CB C 39 38.300 37.831 0.469 1
1 271 . 8 1 1 A 39 39 TYR N N 39 119.200 119.703 -0.503 1
1 272 . 8 1 1 A 40 40 VAL H H 40 7.960 8.439 -0.479 1
1 273 . 8 1 1 A 40 40 VAL HA H 40 2.750 3.407 -0.657 1
1 281 . 8 1 1 A 40 40 VAL C C 40 177.800 178.247 -0.447 1
1 282 . 8 1 1 A 40 40 VAL CA C 40 67.300 66.374 0.926 1
1 283 . 8 1 1 A 40 40 VAL CB C 40 31.400 31.218 0.182 1
1 286 . 8 1 1 A 40 40 VAL N N 40 120.800 119.472 1.328 1
1 287 . 8 1 1 A 41 41 GLU H H 41 8.660 7.922 0.738 1
1 288 . 8 1 1 A 41 41 GLU HA H 41 3.680 3.968 -0.288 1
1 291 . 8 1 1 A 41 41 GLU C C 41 179.900 178.485 1.415 1
1 292 . 8 1 1 A 41 41 GLU CA C 41 60.500 58.758 1.742 1
1 293 . 8 1 1 A 41 41 GLU CB C 41 29.400 29.251 0.149 1
1 295 . 8 1 1 A 41 41 GLU N N 41 117.000 120.362 -3.362 1
1 296 . 8 1 1 A 42 42 LEU H H 42 7.960 7.745 0.215 1
1 297 . 8 1 1 A 42 42 LEU HA H 42 4.130 4.077 0.053 1
1 306 . 8 1 1 A 42 42 LEU C C 42 178.300 178.245 0.055 1
1 307 . 8 1 1 A 42 42 LEU CA C 42 58.000 57.770 0.230 1
1 308 . 8 1 1 A 42 42 LEU CB C 42 42.300 41.326 0.974 1
1 312 . 8 1 1 A 42 42 LEU N N 42 120.300 121.261 -0.961 1
1 313 . 8 1 1 A 43 43 ALA H H 43 8.040 7.631 0.409 1
1 314 . 8 1 1 A 43 43 ALA HA H 43 3.740 3.903 -0.163 1
1 318 . 8 1 1 A 43 43 ALA C C 43 179.400 179.919 -0.519 1
1 319 . 8 1 1 A 43 43 ALA CA C 43 55.700 55.230 0.470 1
1 320 . 8 1 1 A 43 43 ALA CB C 43 18.500 18.522 -0.022 1
1 321 . 8 1 1 A 43 43 ALA N N 43 123.600 121.006 2.594 1
1 322 . 8 1 1 A 44 44 LEU H H 44 8.340 8.365 -0.025 1
1 323 . 8 1 1 A 44 44 LEU HA H 44 4.070 3.771 0.299 1
1 333 . 8 1 1 A 44 44 LEU C C 44 180.000 179.307 0.693 1
1 334 . 8 1 1 A 44 44 LEU CA C 44 57.500 57.598 -0.098 1
1 335 . 8 1 1 A 44 44 LEU CB C 44 40.800 41.624 -0.824 1
1 339 . 8 1 1 A 44 44 LEU N N 44 116.800 118.282 -1.482 1
1 340 . 8 1 1 A 45 45 LEU H H 45 7.860 8.448 -0.588 1
1 341 . 8 1 1 A 45 45 LEU HA H 45 4.170 3.900 0.270 1
1 351 . 8 1 1 A 45 45 LEU C C 45 179.600 178.621 0.979 1
1 352 . 8 1 1 A 45 45 LEU CA C 45 58.400 58.062 0.338 1
1 353 . 8 1 1 A 45 45 LEU CB C 45 42.200 41.221 0.979 1
1 357 . 8 1 1 A 45 45 LEU N N 45 122.600 120.212 2.388 1
1 358 . 8 1 1 A 46 46 VAL H H 46 8.070 8.675 -0.605 1
1 359 . 8 1 1 A 46 46 VAL HA H 46 3.610 3.473 0.137 1
1 367 . 8 1 1 A 46 46 VAL CA C 46 66.800 66.566 0.234 1
1 368 . 8 1 1 A 46 46 VAL CB C 46 31.600 31.141 0.459 1
1 370 . 8 1 1 A 46 46 VAL N N 46 120.100 118.742 1.358 1
1 371 . 8 1 1 A 47 47 GLN H H 47 8.360 8.265 0.095 1
1 372 . 8 1 1 A 47 47 GLN HA H 47 3.860 3.977 -0.117 1
1 378 . 8 1 1 A 47 47 GLN C C 47 178.000 178.079 -0.079 1
1 379 . 8 1 1 A 47 47 GLN CA C 47 60.200 59.293 0.907 1
1 380 . 8 1 1 A 47 47 GLN CB C 47 27.800 28.208 -0.408 1
1 382 . 8 1 1 A 47 47 GLN N N 47 120.000 119.456 0.544 1
1 384 . 8 1 1 A 48 48 GLN H H 48 8.110 8.206 -0.096 1
1 385 . 8 1 1 A 48 48 GLN HA H 48 4.080 4.035 0.045 1
1 392 . 8 1 1 A 48 48 GLN C C 48 178.500 178.217 0.283 1
1 393 . 8 1 1 A 48 48 GLN CA C 48 58.900 58.768 0.132 1
1 394 . 8 1 1 A 48 48 GLN CB C 48 29.400 28.377 1.023 1
1 396 . 8 1 1 A 48 48 GLN N N 48 117.600 117.346 0.254 1
1 398 . 8 1 1 A 49 49 LYS H H 49 8.110 7.797 0.313 1
1 399 . 8 1 1 A 49 49 LYS HA H 49 4.190 4.013 0.177 1
1 405 . 8 1 1 A 49 49 LYS C C 49 177.800 179.360 -1.560 1
1 406 . 8 1 1 A 49 49 LYS CA C 49 58.600 59.258 -0.658 1
1 407 . 8 1 1 A 49 49 LYS CB C 49 33.000 32.148 0.852 1
1 411 . 8 1 1 A 49 49 LYS N N 49 118.100 119.550 -1.450 1
1 412 . 8 1 1 A 50 50 ALA H H 50 8.240 8.327 -0.087 1
1 413 . 8 1 1 A 50 50 ALA HA H 50 4.460 4.298 0.162 1
1 417 . 8 1 1 A 50 50 ALA C C 50 176.700 177.223 -0.523 1
1 418 . 8 1 1 A 50 50 ALA CA C 50 52.700 52.723 -0.023 1
1 419 . 8 1 1 A 50 50 ALA CB C 50 21.100 19.543 1.557 1
1 420 . 8 1 1 A 50 50 ALA N N 50 119.000 119.185 -0.185 1
1 421 . 8 1 1 A 51 51 LYS H H 51 8.000 7.917 0.083 1
1 422 . 8 1 1 A 51 51 LYS HA H 51 4.030 3.950 0.080 1
1 429 . 8 1 1 A 51 51 LYS C C 51 175.800 175.069 0.731 1
1 430 . 8 1 1 A 51 51 LYS CA C 51 57.500 57.171 0.329 1
1 431 . 8 1 1 A 51 51 LYS CB C 51 29.500 31.013 -1.513 1
1 435 . 8 1 1 A 51 51 LYS N N 51 114.500 117.802 -3.302 1
1 436 . 8 1 1 A 52 52 VAL H H 52 7.000 7.305 -0.305 1
1 437 . 8 1 1 A 52 52 VAL HA H 52 4.570 4.975 -0.405 1
1 445 . 8 1 1 A 52 52 VAL C C 52 175.000 173.469 1.531 1
1 446 . 8 1 1 A 52 52 VAL CA C 52 59.600 58.398 1.202 1
1 447 . 8 1 1 A 52 52 VAL CB C 52 34.900 35.600 -0.700 1
1 450 . 8 1 1 A 52 52 VAL N N 52 111.600 114.292 -2.692 1
1 451 . 8 1 1 A 53 53 LYS H H 53 8.150 8.754 -0.604 1
1 452 . 8 1 1 A 53 53 LYS HA H 53 4.510 5.082 -0.572 1
1 454 . 8 1 1 A 53 53 LYS C C 53 176.800 175.087 1.713 1
1 455 . 8 1 1 A 53 53 LYS CA C 53 55.700 54.719 0.981 1
1 456 . 8 1 1 A 53 53 LYS CB C 53 34.000 35.203 -1.203 1
1 457 . 8 1 1 A 53 53 LYS N N 53 120.800 122.346 -1.546 1
1 458 . 8 1 1 A 54 54 ILE H H 54 8.370 8.609 -0.239 1
1 459 . 8 1 1 A 54 54 ILE HA H 54 4.530 4.716 -0.186 1
1 469 . 8 1 1 A 54 54 ILE CA C 54 58.700 57.845 0.855 1
1 470 . 8 1 1 A 54 54 ILE CB C 54 38.400 39.808 -1.408 1
1 474 . 8 1 1 A 54 54 ILE N N 54 122.500 123.666 -1.166 1
1 475 . 8 1 1 A 57 57 LYS HA H 57 3.780 3.688 0.092 1
1 484 . 8 1 1 A 57 57 LYS C C 57 176.300 177.799 -1.499 1
1 485 . 8 1 1 A 57 57 LYS CA C 57 59.000 58.718 0.282 1
1 486 . 8 1 1 A 57 57 LYS CB C 57 32.300 31.962 0.338 1
1 490 . 8 1 1 A 58 58 TRP H H 58 7.250 7.521 -0.271 1
1 491 . 8 1 1 A 58 58 TRP HA H 58 4.850 4.584 0.266 1
1 500 . 8 1 1 A 58 58 TRP C C 58 176.800 177.616 -0.816 1
1 501 . 8 1 1 A 58 58 TRP CA C 58 55.400 58.271 -2.871 1
1 502 . 8 1 1 A 58 58 TRP CB C 58 31.300 30.969 0.331 1
1 508 . 8 1 1 A 58 58 TRP N N 58 116.300 117.080 -0.780 1
1 510 . 8 1 1 A 59 59 LYS H H 59 7.310 8.531 -1.221 1
1 511 . 8 1 1 A 59 59 LYS HA H 59 3.960 3.893 0.067 1
1 517 . 8 1 1 A 59 59 LYS CA C 59 60.600 59.270 1.330 1
1 518 . 8 1 1 A 59 59 LYS CB C 59 33.500 31.963 1.537 1
1 522 . 8 1 1 A 59 59 LYS N N 59 118.600 119.758 -1.158 1
1 523 . 8 1 1 A 60 60 ARG HA H 60 4.540 4.414 0.126 1
1 528 . 8 1 1 A 60 60 ARG C C 60 177.200 177.443 -0.243 1
1 529 . 8 1 1 A 60 60 ARG CA C 60 55.400 56.358 -0.958 1
1 530 . 8 1 1 A 60 60 ARG CB C 60 30.400 30.436 -0.036 1
1 533 . 8 1 1 A 61 61 ARG H H 61 7.620 7.532 0.088 1
1 534 . 8 1 1 A 61 61 ARG HA H 61 4.250 4.418 -0.168 1
1 537 . 8 1 1 A 61 61 ARG C C 61 172.300 174.637 -2.337 1
1 538 . 8 1 1 A 61 61 ARG CA C 61 54.400 55.337 -0.937 1
1 539 . 8 1 1 A 61 61 ARG CB C 61 27.900 30.343 -2.443 1
1 541 . 8 1 1 A 61 61 ARG N N 61 116.000 117.118 -1.118 1
1 542 . 8 1 1 A 62 62 TYR H H 62 6.980 7.672 -0.692 1
1 543 . 8 1 1 A 62 62 TYR HA H 62 5.860 5.498 0.362 1
1 550 . 8 1 1 A 62 62 TYR C C 62 173.100 172.384 0.716 1
1 551 . 8 1 1 A 62 62 TYR CA C 62 55.000 55.960 -0.960 1
1 552 . 8 1 1 A 62 62 TYR CB C 62 43.000 41.176 1.824 1
1 557 . 8 1 1 A 62 62 TYR N N 62 112.300 116.145 -3.845 1
1 558 . 8 1 1 A 63 63 CYS H H 63 9.220 8.244 0.976 1
1 559 . 8 1 1 A 63 63 CYS HA H 63 4.280 4.478 -0.198 1
1 562 . 8 1 1 A 63 63 CYS C C 63 178.000 175.448 2.552 1
1 563 . 8 1 1 A 63 63 CYS CA C 63 59.900 57.918 1.982 1
1 564 . 8 1 1 A 63 63 CYS CB C 63 32.300 28.702 3.598 1
1 565 . 8 1 1 A 63 63 CYS N N 63 124.100 120.612 3.488 1
1 566 . 8 1 1 A 64 64 LYS H H 64 7.820 8.629 -0.809 1
1 567 . 8 1 1 A 64 64 LYS HA H 64 4.240 3.593 0.647 1
1 571 . 8 1 1 A 64 64 LYS C C 64 175.400 177.508 -2.108 1
1 572 . 8 1 1 A 64 64 LYS CA C 64 59.500 59.609 -0.109 1
1 573 . 8 1 1 A 64 64 LYS CB C 64 33.600 32.199 1.401 1
1 577 . 8 1 1 A 64 64 LYS N N 64 129.300 126.654 2.646 1
1 578 . 8 1 1 A 65 65 LYS H H 65 9.270 7.617 1.653 1
1 579 . 8 1 1 A 65 65 LYS HA H 65 4.250 4.201 0.049 1
1 586 . 8 1 1 A 65 65 LYS C C 65 176.300 179.082 -2.782 1
1 587 . 8 1 1 A 65 65 LYS CA C 65 58.500 57.470 1.030 1
1 588 . 8 1 1 A 65 65 LYS CB C 65 33.700 33.226 0.474 1
1 592 . 8 1 1 A 65 65 LYS N N 65 122.500 118.631 3.869 1
1 593 . 8 1 1 A 66 66 CYS H H 66 9.190 7.766 1.424 1
1 594 . 8 1 1 A 66 66 CYS HA H 66 4.560 4.350 0.210 1
1 597 . 8 1 1 A 66 66 CYS C C 66 176.200 175.062 1.138 1
1 598 . 8 1 1 A 66 66 CYS CA C 66 59.700 63.637 -3.937 1
1 599 . 8 1 1 A 66 66 CYS CB C 66 32.200 27.791 4.409 1
1 600 . 8 1 1 A 66 66 CYS N N 66 121.200 117.813 3.387 1
1 601 . 8 1 1 A 67 67 HIS H H 67 7.700 7.648 0.052 1
1 602 . 8 1 1 A 67 67 HIS HA H 67 4.850 4.368 0.482 1
1 604 . 8 1 1 A 67 67 HIS C C 67 171.000 173.881 -2.881 1
1 605 . 8 1 1 A 67 67 HIS CA C 67 56.200 57.218 -1.018 1
1 606 . 8 1 1 A 67 67 HIS CB C 67 26.800 26.963 -0.163 1
1 607 . 8 1 1 A 67 67 HIS N N 67 114.200 115.606 -1.406 1
1 608 . 8 1 1 A 68 68 ALA H H 68 8.720 7.641 1.079 1
1 609 . 8 1 1 A 68 68 ALA HA H 68 4.230 4.884 -0.654 1
1 613 . 8 1 1 A 68 68 ALA C C 68 177.800 176.212 1.588 1
1 614 . 8 1 1 A 68 68 ALA CA C 68 53.800 50.377 3.423 1
1 615 . 8 1 1 A 68 68 ALA CB C 68 19.800 22.541 -2.741 1
1 616 . 8 1 1 A 68 68 ALA N N 68 119.600 119.673 -0.073 1
1 617 . 8 1 1 A 69 69 PHE H H 69 8.500 8.687 -0.187 1
1 618 . 8 1 1 A 69 69 PHE HA H 69 4.590 5.067 -0.477 1
1 626 . 8 1 1 A 69 69 PHE C C 69 174.200 173.979 0.221 1
1 627 . 8 1 1 A 69 69 PHE CA C 69 58.300 59.646 -1.346 1
1 628 . 8 1 1 A 69 69 PHE CB C 69 40.900 39.136 1.764 1
1 634 . 8 1 1 A 69 69 PHE N N 69 122.200 121.089 1.111 1
1 635 . 8 1 1 A 70 70 LEU H H 70 7.550 9.673 -2.123 1
1 636 . 8 1 1 A 70 70 LEU HA H 70 4.540 5.277 -0.737 1
1 645 . 8 1 1 A 70 70 LEU C C 70 176.000 175.484 0.516 1
1 646 . 8 1 1 A 70 70 LEU CA C 70 53.700 53.842 -0.142 1
1 647 . 8 1 1 A 70 70 LEU CB C 70 43.600 44.162 -0.562 1
1 651 . 8 1 1 A 70 70 LEU N N 70 124.700 129.487 -4.787 1
1 652 . 8 1 1 A 71 71 VAL H H 71 9.700 9.002 0.698 1
1 653 . 8 1 1 A 71 71 VAL HA H 71 4.140 4.702 -0.562 1
1 661 . 8 1 1 A 71 71 VAL CA C 71 59.600 59.181 0.419 1
1 662 . 8 1 1 A 71 71 VAL CB C 71 34.000 36.203 -2.203 1
1 665 . 8 1 1 A 71 71 VAL N N 71 125.800 127.501 -1.701 1
1 666 . 8 1 1 A 72 72 PRO HA H 72 4.170 4.597 -0.427 1
1 673 . 8 1 1 A 72 72 PRO C C 72 176.200 177.332 -1.132 1
1 674 . 8 1 1 A 72 72 PRO CA C 72 64.100 63.715 0.385 1
1 675 . 8 1 1 A 72 72 PRO CB C 72 32.200 31.640 0.560 1
1 678 . 8 1 1 A 73 73 GLY H H 73 8.500 9.617 -1.117 1
1 679 . 8 1 1 A 73 73 GLY HA2 H 73 3.860 3.858 0.002 1
1 680 . 8 1 1 A 73 73 GLY HA3 H 73 4.550 3.878 0.672 1
1 681 . 8 1 1 A 73 73 GLY CA C 73 45.700 45.341 0.359 1
1 682 . 8 1 1 A 73 73 GLY N N 73 112.200 111.123 1.077 1
1 683 . 8 1 1 A 74 74 ILE H H 74 8.360 7.390 0.970 1
1 684 . 8 1 1 A 74 74 ILE HA H 74 4.580 4.116 0.464 1
1 694 . 8 1 1 A 74 74 ILE C C 74 175.700 177.501 -1.801 1
1 695 . 8 1 1 A 74 74 ILE CA C 74 62.700 62.798 -0.098 1
1 696 . 8 1 1 A 74 74 ILE CB C 74 38.400 38.390 0.010 1
1 700 . 8 1 1 A 74 74 ILE N N 74 120.200 120.295 -0.095 1
1 701 . 8 1 1 A 75 75 ASN H H 75 8.470 8.443 0.027 1
1 702 . 8 1 1 A 75 75 ASN HA H 75 4.970 4.933 0.037 1
1 706 . 8 1 1 A 75 75 ASN C C 75 172.900 174.661 -1.761 1
1 707 . 8 1 1 A 75 75 ASN CA C 75 52.600 53.121 -0.521 1
1 708 . 8 1 1 A 75 75 ASN CB C 75 38.600 38.706 -0.106 1
1 709 . 8 1 1 A 75 75 ASN N N 75 116.400 115.853 0.547 1
1 711 . 8 1 1 A 76 76 ALA H H 76 7.250 7.732 -0.482 1
1 712 . 8 1 1 A 76 76 ALA HA H 76 5.510 5.279 0.231 1
1 716 . 8 1 1 A 76 76 ALA C C 76 176.200 175.130 1.070 1
1 717 . 8 1 1 A 76 76 ALA CA C 76 50.400 51.588 -1.188 1
1 718 . 8 1 1 A 76 76 ALA CB C 76 23.200 22.971 0.229 1
1 719 . 8 1 1 A 76 76 ALA N N 76 117.400 119.767 -2.367 1
1 720 . 8 1 1 A 77 77 ARG H H 77 8.850 9.159 -0.309 1
1 721 . 8 1 1 A 77 77 ARG HA H 77 4.950 5.210 -0.260 1
1 728 . 8 1 1 A 77 77 ARG CA C 77 54.800 54.591 0.209 1
1 729 . 8 1 1 A 77 77 ARG CB C 77 33.700 34.053 -0.353 1
1 732 . 8 1 1 A 77 77 ARG N N 77 123.000 122.149 0.851 1
1 733 . 8 1 1 A 78 78 VAL H H 78 8.920 9.017 -0.097 1
1 734 . 8 1 1 A 78 78 VAL HA H 78 4.730 5.266 -0.536 1
1 742 . 8 1 1 A 78 78 VAL CA C 78 61.400 59.658 1.742 1
1 743 . 8 1 1 A 78 78 VAL CB C 78 34.400 34.713 -0.313 1
1 746 . 8 1 1 A 78 78 VAL N N 78 127.400 124.523 2.877 1
1 747 . 8 1 1 A 79 79 ARG H H 79 9.000 8.859 0.141 1
1 748 . 8 1 1 A 79 79 ARG HA H 79 4.750 4.863 -0.113 1
1 754 . 8 1 1 A 79 79 ARG CA C 79 54.400 54.865 -0.465 1
1 755 . 8 1 1 A 79 79 ARG CB C 79 34.300 32.965 1.335 1
1 758 . 8 1 1 A 79 79 ARG N N 79 126.400 128.002 -1.602 1
1 759 . 8 1 1 A 80 80 LEU H H 80 8.480 9.273 -0.793 1
1 760 . 8 1 1 A 80 80 LEU HA H 80 4.690 5.063 -0.373 1
1 770 . 8 1 1 A 80 80 LEU CA C 80 54.600 53.571 1.029 1
1 771 . 8 1 1 A 80 80 LEU CB C 80 43.500 43.312 0.188 1
1 775 . 8 1 1 A 80 80 LEU N N 80 124.700 124.946 -0.246 1
1 776 . 8 1 1 A 81 81 ARG H H 81 8.800 9.203 -0.403 1
1 777 . 8 1 1 A 81 81 ARG HA H 81 4.540 4.866 -0.326 1
1 781 . 8 1 1 A 81 81 ARG CA C 81 54.600 54.386 0.214 1
1 782 . 8 1 1 A 81 81 ARG CB C 81 31.600 33.260 -1.660 1
1 785 . 8 1 1 A 81 81 ARG N N 81 126.100 124.547 1.553 1
1 786 . 8 1 1 A 86 86 PRO HA H 86 4.700 4.662 0.038 1
1 792 . 8 1 1 A 86 86 PRO C C 86 176.400 176.078 0.322 1
1 793 . 8 1 1 A 86 86 PRO CA C 86 64.000 62.764 1.236 1
1 794 . 8 1 1 A 86 86 PRO CB C 86 32.600 32.650 -0.050 1
1 796 . 8 1 1 A 87 87 HIS H H 87 8.560 8.099 0.461 1
1 797 . 8 1 1 A 87 87 HIS HA H 87 5.140 5.020 0.120 1
1 800 . 8 1 1 A 87 87 HIS C C 87 172.600 174.400 -1.800 1
1 801 . 8 1 1 A 87 87 HIS CA C 87 56.000 54.721 1.279 1
1 802 . 8 1 1 A 87 87 HIS CB C 87 32.400 33.941 -1.541 1
1 803 . 8 1 1 A 87 87 HIS N N 87 118.700 121.798 -3.098 1
1 804 . 8 1 1 A 88 88 ILE H H 88 9.250 8.935 0.315 1
1 805 . 8 1 1 A 88 88 ILE HA H 88 4.710 5.242 -0.532 1
1 815 . 8 1 1 A 88 88 ILE CA C 88 60.200 59.180 1.020 1
1 816 . 8 1 1 A 88 88 ILE CB C 88 40.600 41.866 -1.266 1
1 820 . 8 1 1 A 88 88 ILE N N 88 120.600 117.158 3.442 1
1 821 . 8 1 1 A 89 89 VAL H H 89 9.050 9.099 -0.049 1
1 822 . 8 1 1 A 89 89 VAL HA H 89 4.800 5.104 -0.304 1
1 830 . 8 1 1 A 89 89 VAL C C 89 175.000 174.596 0.404 1
1 831 . 8 1 1 A 89 89 VAL CA C 89 61.400 60.076 1.324 1
1 832 . 8 1 1 A 89 89 VAL CB C 89 34.400 34.283 0.117 1
1 835 . 8 1 1 A 90 90 VAL H H 90 9.340 9.890 -0.550 1
1 836 . 8 1 1 A 90 90 VAL HA H 90 5.160 5.220 -0.060 1
1 844 . 8 1 1 A 90 90 VAL C C 90 173.600 175.223 -1.623 1
1 845 . 8 1 1 A 90 90 VAL CA C 90 61.400 60.881 0.519 1
1 846 . 8 1 1 A 90 90 VAL CB C 90 34.100 34.540 -0.440 1
1 849 . 8 1 1 A 90 90 VAL N N 90 128.000 125.430 2.570 1
1 850 . 8 1 1 A 91 91 LYS H H 91 9.030 8.976 0.054 1
1 851 . 8 1 1 A 91 91 LYS HA H 91 5.160 5.365 -0.205 1
1 858 . 8 1 1 A 91 91 LYS C C 91 175.300 175.284 0.016 1
1 859 . 8 1 1 A 91 91 LYS CA C 91 54.100 54.488 -0.388 1
1 860 . 8 1 1 A 91 91 LYS CB C 91 36.600 35.844 0.756 1
1 864 . 8 1 1 A 91 91 LYS N N 91 128.100 124.538 3.562 1
1 865 . 8 1 1 A 92 92 CYS H H 92 9.050 8.499 0.551 1
1 866 . 8 1 1 A 92 92 CYS HA H 92 4.950 5.346 -0.396 1
1 869 . 8 1 1 A 92 92 CYS C C 92 177.300 175.198 2.102 1
1 870 . 8 1 1 A 92 92 CYS CA C 92 59.600 57.228 2.372 1
1 871 . 8 1 1 A 92 92 CYS CB C 92 32.600 29.580 3.020 1
1 872 . 8 1 1 A 92 92 CYS N N 92 129.900 120.271 9.629 1
1 873 . 8 1 1 A 93 93 LEU H H 93 8.910 9.355 -0.445 1
1 874 . 8 1 1 A 93 93 LEU HA H 93 4.480 3.963 0.517 1
1 884 . 8 1 1 A 93 93 LEU C C 93 178.100 178.405 -0.305 1
1 885 . 8 1 1 A 93 93 LEU CA C 93 55.300 58.276 -2.976 1
1 886 . 8 1 1 A 93 93 LEU CB C 93 40.500 41.529 -1.029 1
1 890 . 8 1 1 A 93 93 LEU N N 93 127.300 125.279 2.021 1
1 891 . 8 1 1 A 94 94 GLU H H 94 9.460 8.383 1.077 1
1 892 . 8 1 1 A 94 94 GLU HA H 94 4.420 4.114 0.306 1
1 897 . 8 1 1 A 94 94 GLU C C 94 178.400 179.438 -1.038 1
1 898 . 8 1 1 A 94 94 GLU CA C 94 59.700 59.347 0.353 1
1 899 . 8 1 1 A 94 94 GLU CB C 94 29.900 29.822 0.078 1
1 901 . 8 1 1 A 94 94 GLU N N 94 122.900 118.495 4.405 1
1 902 . 8 1 1 A 95 95 CYS H H 95 9.110 7.836 1.274 1
1 903 . 8 1 1 A 95 95 CYS HA H 95 5.140 4.566 0.574 1
1 906 . 8 1 1 A 95 95 CYS C C 95 176.900 175.735 1.165 1
1 907 . 8 1 1 A 95 95 CYS CA C 95 58.900 59.670 -0.770 1
1 908 . 8 1 1 A 95 95 CYS CB C 95 33.600 27.981 5.619 1
1 909 . 8 1 1 A 95 95 CYS N N 95 119.200 116.149 3.051 1
1 910 . 8 1 1 A 96 96 GLY H H 96 8.000 9.444 -1.444 1
1 911 . 8 1 1 A 96 96 GLY HA2 H 96 3.850 3.838 0.012 1
1 912 . 8 1 1 A 96 96 GLY C C 96 174.100 173.542 0.558 1
1 913 . 8 1 1 A 96 96 GLY CA C 96 46.500 45.792 0.708 1
1 914 . 8 1 1 A 96 96 GLY N N 96 115.300 109.845 5.455 1
1 915 . 8 1 1 A 97 97 HIS H H 97 9.310 7.556 1.754 1
1 916 . 8 1 1 A 97 97 HIS HA H 97 4.500 5.022 -0.522 1
1 919 . 8 1 1 A 97 97 HIS C C 97 173.200 173.110 0.090 1
1 920 . 8 1 1 A 97 97 HIS CA C 97 58.600 54.695 3.905 1
1 921 . 8 1 1 A 97 97 HIS CB C 97 33.000 33.582 -0.582 1
1 922 . 8 1 1 A 97 97 HIS N N 97 125.300 117.090 8.210 1
1 923 . 8 1 1 A 98 98 ILE H H 98 6.890 8.804 -1.914 1
1 924 . 8 1 1 A 98 98 ILE HA H 98 4.760 4.955 -0.195 1
1 934 . 8 1 1 A 98 98 ILE C C 98 175.000 174.061 0.939 1
1 935 . 8 1 1 A 98 98 ILE CA C 98 60.000 59.600 0.400 1
1 936 . 8 1 1 A 98 98 ILE CB C 98 40.200 40.812 -0.612 1
1 940 . 8 1 1 A 98 98 ILE N N 98 123.600 122.747 0.853 1
1 941 . 8 1 1 A 99 99 MET H H 99 9.050 9.835 -0.785 1
1 942 . 8 1 1 A 99 99 MET HA H 99 4.630 5.219 -0.589 1
1 950 . 8 1 1 A 99 99 MET C C 99 173.100 174.678 -1.578 1
1 951 . 8 1 1 A 99 99 MET CA C 99 54.400 54.145 0.255 1
1 952 . 8 1 1 A 99 99 MET CB C 99 37.900 36.361 1.539 1
1 955 . 8 1 1 A 99 99 MET N N 99 126.400 127.257 -0.857 1
1 956 . 8 1 1 A 100 100 ARG H H 100 7.930 8.731 -0.801 1
1 957 . 8 1 1 A 100 100 ARG HA H 100 5.370 4.738 0.632 1
1 963 . 8 1 1 A 100 100 ARG C C 100 175.200 174.929 0.271 1
1 964 . 8 1 1 A 100 100 ARG CA C 100 54.700 54.989 -0.289 1
1 965 . 8 1 1 A 100 100 ARG CB C 100 33.600 32.811 0.789 1
1 968 . 8 1 1 A 100 100 ARG N N 100 120.200 122.070 -1.870 1
1 969 . 8 1 1 A 101 101 TYR H H 101 9.110 8.997 0.113 1
1 970 . 8 1 1 A 101 101 TYR HA H 101 5.130 5.141 -0.011 1
1 977 . 8 1 1 A 101 101 TYR CA C 101 55.300 54.935 0.365 1
1 978 . 8 1 1 A 101 101 TYR CB C 101 40.900 39.341 1.559 1
1 983 . 8 1 1 A 101 101 TYR N N 101 121.100 122.409 -1.309 1
1 1 . 9 1 1 A 18 18 ILE HA H 18 3.610 4.063 -0.453 1
1 11 . 9 1 1 A 18 18 ILE C C 18 176.800 177.761 -0.961 1
1 12 . 9 1 1 A 18 18 ILE CA C 18 66.700 62.752 3.948 1
1 13 . 9 1 1 A 18 18 ILE CB C 18 38.600 37.813 0.787 1
1 17 . 9 1 1 A 19 19 ASP H H 19 8.050 7.755 0.295 1
1 18 . 9 1 1 A 19 19 ASP HA H 19 4.580 4.667 -0.087 1
1 21 . 9 1 1 A 19 19 ASP CA C 19 58.200 57.607 0.593 1
1 22 . 9 1 1 A 19 19 ASP CB C 19 42.500 40.755 1.745 1
1 23 . 9 1 1 A 19 19 ASP N N 19 119.100 121.355 -2.255 1
1 24 . 9 1 1 A 20 20 ILE H H 20 8.240 7.488 0.752 1
1 25 . 9 1 1 A 20 20 ILE HA H 20 3.730 3.715 0.015 1
1 35 . 9 1 1 A 20 20 ILE CA C 20 65.000 65.547 -0.547 1
1 36 . 9 1 1 A 20 20 ILE CB C 20 38.300 37.796 0.504 1
1 40 . 9 1 1 A 20 20 ILE N N 20 120.400 120.330 0.070 1
1 41 . 9 1 1 A 21 21 LEU H H 21 7.870 7.963 -0.093 1
1 42 . 9 1 1 A 21 21 LEU HA H 21 4.440 3.989 0.451 1
1 49 . 9 1 1 A 21 21 LEU C C 21 178.700 179.362 -0.662 1
1 50 . 9 1 1 A 21 21 LEU CA C 21 59.800 58.125 1.675 1
1 51 . 9 1 1 A 21 21 LEU CB C 21 42.200 41.944 0.256 1
1 54 . 9 1 1 A 21 21 LEU N N 21 121.100 118.681 2.419 1
1 55 . 9 1 1 A 22 22 PHE H H 22 7.820 8.825 -1.005 1
1 56 . 9 1 1 A 22 22 PHE HA H 22 3.480 4.427 -0.947 1
1 63 . 9 1 1 A 22 22 PHE C C 22 177.300 178.005 -0.705 1
1 64 . 9 1 1 A 22 22 PHE CA C 22 63.100 62.213 0.887 1
1 65 . 9 1 1 A 22 22 PHE CB C 22 36.400 39.333 -2.933 1
1 70 . 9 1 1 A 22 22 PHE N N 22 116.900 119.748 -2.848 1
1 71 . 9 1 1 A 23 23 SER H H 23 7.940 8.249 -0.309 1
1 72 . 9 1 1 A 23 23 SER HA H 23 4.520 4.211 0.309 1
1 75 . 9 1 1 A 23 23 SER C C 23 177.300 176.125 1.175 1
1 76 . 9 1 1 A 23 23 SER CA C 23 63.500 61.900 1.600 1
1 77 . 9 1 1 A 23 23 SER CB C 23 62.900 63.079 -0.179 1
1 78 . 9 1 1 A 23 23 SER N N 23 114.400 115.399 -0.999 1
1 79 . 9 1 1 A 24 24 LEU H H 24 8.050 8.101 -0.051 1
1 80 . 9 1 1 A 24 24 LEU HA H 24 3.820 3.957 -0.137 1
1 89 . 9 1 1 A 24 24 LEU C C 24 178.200 178.821 -0.621 1
1 90 . 9 1 1 A 24 24 LEU CA C 24 58.100 57.501 0.599 1
1 91 . 9 1 1 A 24 24 LEU CB C 24 40.700 41.477 -0.777 1
1 95 . 9 1 1 A 24 24 LEU N N 24 124.700 121.267 3.433 1
1 96 . 9 1 1 A 25 25 ALA H H 25 7.590 8.724 -1.134 1
1 97 . 9 1 1 A 25 25 ALA HA H 25 3.820 3.975 -0.155 1
1 101 . 9 1 1 A 25 25 ALA C C 25 177.700 179.432 -1.732 1
1 102 . 9 1 1 A 25 25 ALA CA C 25 55.800 55.595 0.205 1
1 103 . 9 1 1 A 25 25 ALA CB C 25 18.400 18.124 0.276 1
1 104 . 9 1 1 A 25 25 ALA N N 25 122.400 122.151 0.249 1
1 105 . 9 1 1 A 26 26 GLU H H 26 7.690 7.893 -0.203 1
1 106 . 9 1 1 A 26 26 GLU HA H 26 4.270 3.721 0.549 1
1 111 . 9 1 1 A 26 26 GLU C C 26 178.600 178.458 0.142 1
1 112 . 9 1 1 A 26 26 GLU CA C 26 60.000 59.010 0.990 1
1 113 . 9 1 1 A 26 26 GLU CB C 26 31.100 28.991 2.109 1
1 115 . 9 1 1 A 26 26 GLU N N 26 116.000 118.912 -2.912 1
1 116 . 9 1 1 A 27 27 ARG H H 27 7.670 7.559 0.111 1
1 117 . 9 1 1 A 27 27 ARG HA H 27 4.190 4.113 0.077 1
1 122 . 9 1 1 A 27 27 ARG C C 27 178.400 178.202 0.198 1
1 123 . 9 1 1 A 27 27 ARG CA C 27 58.800 58.671 0.129 1
1 124 . 9 1 1 A 27 27 ARG CB C 27 30.700 29.821 0.879 1
1 127 . 9 1 1 A 27 27 ARG N N 27 116.700 120.482 -3.782 1
1 128 . 9 1 1 A 28 28 VAL H H 28 8.230 7.852 0.378 1
1 129 . 9 1 1 A 28 28 VAL HA H 28 4.530 3.850 0.680 1
1 137 . 9 1 1 A 28 28 VAL C C 28 176.500 178.108 -1.608 1
1 138 . 9 1 1 A 28 28 VAL CA C 28 62.600 65.035 -2.435 1
1 139 . 9 1 1 A 28 28 VAL CB C 28 33.000 31.323 1.677 1
1 142 . 9 1 1 A 28 28 VAL N N 28 112.600 118.496 -5.896 1
1 143 . 9 1 1 A 29 29 PHE H H 29 8.020 8.097 -0.077 1
1 144 . 9 1 1 A 29 29 PHE HA H 29 3.960 4.249 -0.289 1
1 151 . 9 1 1 A 29 29 PHE CA C 29 64.500 62.707 1.793 1
1 152 . 9 1 1 A 29 29 PHE CB C 29 37.300 37.005 0.295 1
1 157 . 9 1 1 A 29 29 PHE N N 29 124.600 122.385 2.215 1
1 158 . 9 1 1 A 30 30 PRO HA H 30 4.150 4.022 0.128 1
1 163 . 9 1 1 A 30 30 PRO C C 30 176.600 178.722 -2.122 1
1 164 . 9 1 1 A 30 30 PRO CA C 30 65.600 65.750 -0.150 1
1 165 . 9 1 1 A 30 30 PRO CB C 30 31.400 30.841 0.559 1
1 168 . 9 1 1 A 31 31 TYR H H 31 7.540 7.975 -0.435 1
1 169 . 9 1 1 A 31 31 TYR HA H 31 4.600 4.207 0.393 1
1 176 . 9 1 1 A 31 31 TYR C C 31 176.500 175.289 1.211 1
1 177 . 9 1 1 A 31 31 TYR CA C 31 58.300 61.498 -3.198 1
1 178 . 9 1 1 A 31 31 TYR CB C 31 39.400 39.205 0.195 1
1 183 . 9 1 1 A 31 31 TYR N N 31 113.500 119.242 -5.742 1
1 184 . 9 1 1 A 32 32 SER H H 32 8.210 8.120 0.090 1
1 185 . 9 1 1 A 32 32 SER HA H 32 4.770 4.644 0.126 1
1 188 . 9 1 1 A 32 32 SER CA C 32 55.700 55.598 0.102 1
1 189 . 9 1 1 A 32 32 SER CB C 32 63.200 65.744 -2.544 1
1 190 . 9 1 1 A 32 32 SER N N 32 111.700 109.550 2.150 1
1 191 . 9 1 1 A 33 33 PRO HA H 33 4.250 4.391 -0.141 1
1 195 . 9 1 1 A 33 33 PRO C C 33 179.000 178.956 0.044 1
1 196 . 9 1 1 A 33 33 PRO CA C 33 65.400 65.387 0.013 1
1 197 . 9 1 1 A 33 33 PRO CB C 33 33.000 31.689 1.311 1
1 200 . 9 1 1 A 34 34 GLU H H 34 8.390 8.239 0.151 1
1 201 . 9 1 1 A 34 34 GLU HA H 34 4.130 4.146 -0.016 1
1 204 . 9 1 1 A 34 34 GLU C C 34 178.700 179.594 -0.894 1
1 205 . 9 1 1 A 34 34 GLU CA C 34 59.900 59.402 0.498 1
1 206 . 9 1 1 A 34 34 GLU CB C 34 30.000 29.318 0.682 1
1 208 . 9 1 1 A 34 34 GLU N N 34 118.500 117.864 0.636 1
1 209 . 9 1 1 A 35 35 LEU H H 35 7.970 8.432 -0.462 1
1 210 . 9 1 1 A 35 35 LEU HA H 35 4.070 4.027 0.043 1
1 217 . 9 1 1 A 35 35 LEU CA C 35 57.400 58.105 -0.705 1
1 218 . 9 1 1 A 35 35 LEU CB C 35 42.200 41.818 0.382 1
1 221 . 9 1 1 A 35 35 LEU N N 35 122.000 120.539 1.461 1
1 222 . 9 1 1 A 36 36 ALA H H 36 7.860 8.299 -0.439 1
1 223 . 9 1 1 A 36 36 ALA HA H 36 4.040 4.236 -0.196 1
1 227 . 9 1 1 A 36 36 ALA C C 36 178.600 179.170 -0.570 1
1 228 . 9 1 1 A 36 36 ALA CA C 36 56.400 55.454 0.946 1
1 229 . 9 1 1 A 36 36 ALA CB C 36 19.500 18.668 0.832 1
1 230 . 9 1 1 A 36 36 ALA N N 36 121.000 121.926 -0.926 1
1 231 . 9 1 1 A 37 37 LYS H H 37 7.910 8.041 -0.131 1
1 232 . 9 1 1 A 37 37 LYS HA H 37 4.300 3.997 0.303 1
1 237 . 9 1 1 A 37 37 LYS C C 37 177.800 178.812 -1.012 1
1 238 . 9 1 1 A 37 37 LYS CA C 37 59.700 59.836 -0.136 1
1 239 . 9 1 1 A 37 37 LYS CB C 37 32.400 32.743 -0.343 1
1 243 . 9 1 1 A 37 37 LYS N N 37 117.700 118.276 -0.576 1
1 244 . 9 1 1 A 38 38 ARG H H 38 7.640 7.700 -0.060 1
1 245 . 9 1 1 A 38 38 ARG HA H 38 4.090 3.984 0.106 1
1 251 . 9 1 1 A 38 38 ARG C C 38 179.600 178.820 0.780 1
1 252 . 9 1 1 A 38 38 ARG CA C 38 59.300 59.580 -0.280 1
1 253 . 9 1 1 A 38 38 ARG CB C 38 30.000 29.638 0.362 1
1 256 . 9 1 1 A 38 38 ARG N N 38 118.200 118.625 -0.425 1
1 257 . 9 1 1 A 39 39 TYR H H 39 7.860 8.138 -0.278 1
1 258 . 9 1 1 A 39 39 TYR HA H 39 4.290 4.361 -0.071 1
1 264 . 9 1 1 A 39 39 TYR C C 39 177.800 178.414 -0.614 1
1 265 . 9 1 1 A 39 39 TYR CA C 39 62.500 60.568 1.932 1
1 266 . 9 1 1 A 39 39 TYR CB C 39 38.300 37.813 0.487 1
1 271 . 9 1 1 A 39 39 TYR N N 39 119.200 119.744 -0.544 1
1 272 . 9 1 1 A 40 40 VAL H H 40 7.960 8.818 -0.858 1
1 273 . 9 1 1 A 40 40 VAL HA H 40 2.750 3.425 -0.675 1
1 281 . 9 1 1 A 40 40 VAL C C 40 177.800 178.077 -0.277 1
1 282 . 9 1 1 A 40 40 VAL CA C 40 67.300 66.433 0.867 1
1 283 . 9 1 1 A 40 40 VAL CB C 40 31.400 31.281 0.119 1
1 286 . 9 1 1 A 40 40 VAL N N 40 120.800 119.891 0.909 1
1 287 . 9 1 1 A 41 41 GLU H H 41 8.660 8.106 0.554 1
1 288 . 9 1 1 A 41 41 GLU HA H 41 3.680 3.891 -0.211 1
1 291 . 9 1 1 A 41 41 GLU C C 41 179.900 178.506 1.394 1
1 292 . 9 1 1 A 41 41 GLU CA C 41 60.500 58.859 1.641 1
1 293 . 9 1 1 A 41 41 GLU CB C 41 29.400 29.262 0.138 1
1 295 . 9 1 1 A 41 41 GLU N N 41 117.000 120.371 -3.371 1
1 296 . 9 1 1 A 42 42 LEU H H 42 7.960 7.919 0.041 1
1 297 . 9 1 1 A 42 42 LEU HA H 42 4.130 4.072 0.058 1
1 306 . 9 1 1 A 42 42 LEU C C 42 178.300 178.258 0.042 1
1 307 . 9 1 1 A 42 42 LEU CA C 42 58.000 57.742 0.258 1
1 308 . 9 1 1 A 42 42 LEU CB C 42 42.300 41.366 0.934 1
1 312 . 9 1 1 A 42 42 LEU N N 42 120.300 121.170 -0.870 1
1 313 . 9 1 1 A 43 43 ALA H H 43 8.040 7.948 0.092 1
1 314 . 9 1 1 A 43 43 ALA HA H 43 3.740 3.907 -0.167 1
1 318 . 9 1 1 A 43 43 ALA C C 43 179.400 179.896 -0.496 1
1 319 . 9 1 1 A 43 43 ALA CA C 43 55.700 55.165 0.535 1
1 320 . 9 1 1 A 43 43 ALA CB C 43 18.500 18.295 0.205 1
1 321 . 9 1 1 A 43 43 ALA N N 43 123.600 120.982 2.618 1
1 322 . 9 1 1 A 44 44 LEU H H 44 8.340 8.272 0.068 1
1 323 . 9 1 1 A 44 44 LEU HA H 44 4.070 3.755 0.315 1
1 333 . 9 1 1 A 44 44 LEU C C 44 180.000 179.336 0.664 1
1 334 . 9 1 1 A 44 44 LEU CA C 44 57.500 57.579 -0.079 1
1 335 . 9 1 1 A 44 44 LEU CB C 44 40.800 41.590 -0.790 1
1 339 . 9 1 1 A 44 44 LEU N N 44 116.800 118.354 -1.554 1
1 340 . 9 1 1 A 45 45 LEU H H 45 7.860 8.078 -0.218 1
1 341 . 9 1 1 A 45 45 LEU HA H 45 4.170 3.939 0.231 1
1 351 . 9 1 1 A 45 45 LEU C C 45 179.600 178.803 0.797 1
1 352 . 9 1 1 A 45 45 LEU CA C 45 58.400 57.987 0.413 1
1 353 . 9 1 1 A 45 45 LEU CB C 45 42.200 41.837 0.363 1
1 357 . 9 1 1 A 45 45 LEU N N 45 122.600 118.749 3.851 1
1 358 . 9 1 1 A 46 46 VAL H H 46 8.070 8.152 -0.082 1
1 359 . 9 1 1 A 46 46 VAL HA H 46 3.610 3.463 0.147 1
1 367 . 9 1 1 A 46 46 VAL CA C 46 66.800 66.627 0.173 1
1 368 . 9 1 1 A 46 46 VAL CB C 46 31.600 31.157 0.443 1
1 370 . 9 1 1 A 46 46 VAL N N 46 120.100 119.028 1.072 1
1 371 . 9 1 1 A 47 47 GLN H H 47 8.360 8.110 0.250 1
1 372 . 9 1 1 A 47 47 GLN HA H 47 3.860 3.969 -0.109 1
1 378 . 9 1 1 A 47 47 GLN C C 47 178.000 178.093 -0.093 1
1 379 . 9 1 1 A 47 47 GLN CA C 47 60.200 59.214 0.986 1
1 380 . 9 1 1 A 47 47 GLN CB C 47 27.800 28.322 -0.522 1
1 382 . 9 1 1 A 47 47 GLN N N 47 120.000 119.484 0.516 1
1 384 . 9 1 1 A 48 48 GLN H H 48 8.110 8.214 -0.104 1
1 385 . 9 1 1 A 48 48 GLN HA H 48 4.080 4.043 0.037 1
1 392 . 9 1 1 A 48 48 GLN C C 48 178.500 178.220 0.280 1
1 393 . 9 1 1 A 48 48 GLN CA C 48 58.900 58.770 0.130 1
1 394 . 9 1 1 A 48 48 GLN CB C 48 29.400 28.358 1.042 1
1 396 . 9 1 1 A 48 48 GLN N N 48 117.600 117.366 0.234 1
1 398 . 9 1 1 A 49 49 LYS H H 49 8.110 7.655 0.455 1
1 399 . 9 1 1 A 49 49 LYS HA H 49 4.190 4.007 0.183 1
1 405 . 9 1 1 A 49 49 LYS C C 49 177.800 179.316 -1.516 1
1 406 . 9 1 1 A 49 49 LYS CA C 49 58.600 59.231 -0.631 1
1 407 . 9 1 1 A 49 49 LYS CB C 49 33.000 32.129 0.871 1
1 411 . 9 1 1 A 49 49 LYS N N 49 118.100 119.543 -1.443 1
1 412 . 9 1 1 A 50 50 ALA H H 50 8.240 7.933 0.307 1
1 413 . 9 1 1 A 50 50 ALA HA H 50 4.460 4.303 0.157 1
1 417 . 9 1 1 A 50 50 ALA C C 50 176.700 177.208 -0.508 1
1 418 . 9 1 1 A 50 50 ALA CA C 50 52.700 52.658 0.042 1
1 419 . 9 1 1 A 50 50 ALA CB C 50 21.100 19.393 1.707 1
1 420 . 9 1 1 A 50 50 ALA N N 50 119.000 119.254 -0.254 1
1 421 . 9 1 1 A 51 51 LYS H H 51 8.000 7.953 0.047 1
1 422 . 9 1 1 A 51 51 LYS HA H 51 4.030 3.908 0.122 1
1 429 . 9 1 1 A 51 51 LYS C C 51 175.800 175.406 0.394 1
1 430 . 9 1 1 A 51 51 LYS CA C 51 57.500 57.345 0.155 1
1 431 . 9 1 1 A 51 51 LYS CB C 51 29.500 30.738 -1.238 1
1 435 . 9 1 1 A 51 51 LYS N N 51 114.500 117.324 -2.824 1
1 436 . 9 1 1 A 52 52 VAL H H 52 7.000 7.430 -0.430 1
1 437 . 9 1 1 A 52 52 VAL HA H 52 4.570 4.850 -0.280 1
1 445 . 9 1 1 A 52 52 VAL C C 52 175.000 174.503 0.497 1
1 446 . 9 1 1 A 52 52 VAL CA C 52 59.600 59.998 -0.398 1
1 447 . 9 1 1 A 52 52 VAL CB C 52 34.900 34.645 0.255 1
1 450 . 9 1 1 A 52 52 VAL N N 52 111.600 114.710 -3.110 1
1 451 . 9 1 1 A 53 53 LYS H H 53 8.150 8.945 -0.795 1
1 452 . 9 1 1 A 53 53 LYS HA H 53 4.510 5.087 -0.577 1
1 454 . 9 1 1 A 53 53 LYS C C 53 176.800 175.843 0.957 1
1 455 . 9 1 1 A 53 53 LYS CA C 53 55.700 54.898 0.802 1
1 456 . 9 1 1 A 53 53 LYS CB C 53 34.000 35.382 -1.382 1
1 457 . 9 1 1 A 53 53 LYS N N 53 120.800 124.284 -3.484 1
1 458 . 9 1 1 A 54 54 ILE H H 54 8.370 8.661 -0.291 1
1 459 . 9 1 1 A 54 54 ILE HA H 54 4.530 4.738 -0.208 1
1 469 . 9 1 1 A 54 54 ILE CA C 54 58.700 57.718 0.982 1
1 470 . 9 1 1 A 54 54 ILE CB C 54 38.400 40.094 -1.694 1
1 474 . 9 1 1 A 54 54 ILE N N 54 122.500 120.182 2.318 1
1 475 . 9 1 1 A 57 57 LYS HA H 57 3.780 3.881 -0.101 1
1 484 . 9 1 1 A 57 57 LYS C C 57 176.300 178.099 -1.799 1
1 485 . 9 1 1 A 57 57 LYS CA C 57 59.000 58.712 0.288 1
1 486 . 9 1 1 A 57 57 LYS CB C 57 32.300 32.333 -0.033 1
1 490 . 9 1 1 A 58 58 TRP H H 58 7.250 7.738 -0.488 1
1 491 . 9 1 1 A 58 58 TRP HA H 58 4.850 4.684 0.166 1
1 500 . 9 1 1 A 58 58 TRP C C 58 176.800 177.746 -0.946 1
1 501 . 9 1 1 A 58 58 TRP CA C 58 55.400 58.293 -2.893 1
1 502 . 9 1 1 A 58 58 TRP CB C 58 31.300 31.152 0.148 1
1 508 . 9 1 1 A 58 58 TRP N N 58 116.300 117.271 -0.971 1
1 510 . 9 1 1 A 59 59 LYS H H 59 7.310 8.183 -0.873 1
1 511 . 9 1 1 A 59 59 LYS HA H 59 3.960 3.415 0.545 1
1 517 . 9 1 1 A 59 59 LYS CA C 59 60.600 59.605 0.995 1
1 518 . 9 1 1 A 59 59 LYS CB C 59 33.500 32.011 1.489 1
1 522 . 9 1 1 A 59 59 LYS N N 59 118.600 121.804 -3.204 1
1 523 . 9 1 1 A 60 60 ARG HA H 60 4.540 4.158 0.382 1
1 528 . 9 1 1 A 60 60 ARG C C 60 177.200 177.329 -0.129 1
1 529 . 9 1 1 A 60 60 ARG CA C 60 55.400 56.534 -1.134 1
1 530 . 9 1 1 A 60 60 ARG CB C 60 30.400 30.216 0.184 1
1 533 . 9 1 1 A 61 61 ARG H H 61 7.620 7.982 -0.362 1
1 534 . 9 1 1 A 61 61 ARG HA H 61 4.250 4.392 -0.142 1
1 537 . 9 1 1 A 61 61 ARG C C 61 172.300 174.739 -2.439 1
1 538 . 9 1 1 A 61 61 ARG CA C 61 54.400 55.362 -0.962 1
1 539 . 9 1 1 A 61 61 ARG CB C 61 27.900 30.229 -2.329 1
1 541 . 9 1 1 A 61 61 ARG N N 61 116.000 116.854 -0.854 1
1 542 . 9 1 1 A 62 62 TYR H H 62 6.980 7.353 -0.373 1
1 543 . 9 1 1 A 62 62 TYR HA H 62 5.860 5.594 0.266 1
1 550 . 9 1 1 A 62 62 TYR C C 62 173.100 172.462 0.638 1
1 551 . 9 1 1 A 62 62 TYR CA C 62 55.000 55.770 -0.770 1
1 552 . 9 1 1 A 62 62 TYR CB C 62 43.000 41.454 1.546 1
1 557 . 9 1 1 A 62 62 TYR N N 62 112.300 116.209 -3.909 1
1 558 . 9 1 1 A 63 63 CYS H H 63 9.220 8.611 0.609 1
1 559 . 9 1 1 A 63 63 CYS HA H 63 4.280 4.707 -0.427 1
1 562 . 9 1 1 A 63 63 CYS C C 63 178.000 176.055 1.945 1
1 563 . 9 1 1 A 63 63 CYS CA C 63 59.900 58.839 1.061 1
1 564 . 9 1 1 A 63 63 CYS CB C 63 32.300 29.138 3.162 1
1 565 . 9 1 1 A 63 63 CYS N N 63 124.100 121.004 3.096 1
1 566 . 9 1 1 A 64 64 LYS H H 64 7.820 8.887 -1.067 1
1 567 . 9 1 1 A 64 64 LYS HA H 64 4.240 4.010 0.230 1
1 571 . 9 1 1 A 64 64 LYS C C 64 175.400 178.767 -3.367 1
1 572 . 9 1 1 A 64 64 LYS CA C 64 59.500 60.264 -0.764 1
1 573 . 9 1 1 A 64 64 LYS CB C 64 33.600 32.399 1.201 1
1 577 . 9 1 1 A 64 64 LYS N N 64 129.300 128.300 1.000 1
1 578 . 9 1 1 A 65 65 LYS H H 65 9.270 7.887 1.383 1
1 579 . 9 1 1 A 65 65 LYS HA H 65 4.250 4.023 0.227 1
1 586 . 9 1 1 A 65 65 LYS C C 65 176.300 178.688 -2.388 1
1 587 . 9 1 1 A 65 65 LYS CA C 65 58.500 58.859 -0.359 1
1 588 . 9 1 1 A 65 65 LYS CB C 65 33.700 32.646 1.054 1
1 592 . 9 1 1 A 65 65 LYS N N 65 122.500 119.992 2.508 1
1 593 . 9 1 1 A 66 66 CYS H H 66 9.190 7.834 1.356 1
1 594 . 9 1 1 A 66 66 CYS HA H 66 4.560 4.431 0.129 1
1 597 . 9 1 1 A 66 66 CYS C C 66 176.200 174.845 1.355 1
1 598 . 9 1 1 A 66 66 CYS CA C 66 59.700 62.755 -3.055 1
1 599 . 9 1 1 A 66 66 CYS CB C 66 32.200 27.901 4.299 1
1 600 . 9 1 1 A 66 66 CYS N N 66 121.200 117.424 3.776 1
1 601 . 9 1 1 A 67 67 HIS H H 67 7.700 7.748 -0.048 1
1 602 . 9 1 1 A 67 67 HIS HA H 67 4.850 3.897 0.953 1
1 604 . 9 1 1 A 67 67 HIS C C 67 171.000 173.683 -2.683 1
1 605 . 9 1 1 A 67 67 HIS CA C 67 56.200 56.814 -0.614 1
1 606 . 9 1 1 A 67 67 HIS CB C 67 26.800 26.518 0.282 1
1 607 . 9 1 1 A 67 67 HIS N N 67 114.200 115.833 -1.633 1
1 608 . 9 1 1 A 68 68 ALA H H 68 8.720 7.652 1.068 1
1 609 . 9 1 1 A 68 68 ALA HA H 68 4.230 5.012 -0.782 1
1 613 . 9 1 1 A 68 68 ALA C C 68 177.800 176.181 1.619 1
1 614 . 9 1 1 A 68 68 ALA CA C 68 53.800 50.294 3.506 1
1 615 . 9 1 1 A 68 68 ALA CB C 68 19.800 22.952 -3.152 1
1 616 . 9 1 1 A 68 68 ALA N N 68 119.600 119.497 0.103 1
1 617 . 9 1 1 A 69 69 PHE H H 69 8.500 8.946 -0.446 1
1 618 . 9 1 1 A 69 69 PHE HA H 69 4.590 5.181 -0.591 1
1 626 . 9 1 1 A 69 69 PHE C C 69 174.200 174.127 0.073 1
1 627 . 9 1 1 A 69 69 PHE CA C 69 58.300 59.617 -1.317 1
1 628 . 9 1 1 A 69 69 PHE CB C 69 40.900 39.070 1.830 1
1 634 . 9 1 1 A 69 69 PHE N N 69 122.200 121.811 0.389 1
1 635 . 9 1 1 A 70 70 LEU H H 70 7.550 9.322 -1.772 1
1 636 . 9 1 1 A 70 70 LEU HA H 70 4.540 5.305 -0.765 1
1 645 . 9 1 1 A 70 70 LEU C C 70 176.000 175.456 0.544 1
1 646 . 9 1 1 A 70 70 LEU CA C 70 53.700 53.851 -0.151 1
1 647 . 9 1 1 A 70 70 LEU CB C 70 43.600 43.961 -0.361 1
1 651 . 9 1 1 A 70 70 LEU N N 70 124.700 129.861 -5.161 1
1 652 . 9 1 1 A 71 71 VAL H H 71 9.700 8.794 0.906 1
1 653 . 9 1 1 A 71 71 VAL HA H 71 4.140 4.652 -0.512 1
1 661 . 9 1 1 A 71 71 VAL CA C 71 59.600 59.357 0.243 1
1 662 . 9 1 1 A 71 71 VAL CB C 71 34.000 35.959 -1.959 1
1 665 . 9 1 1 A 71 71 VAL N N 71 125.800 127.118 -1.318 1
1 666 . 9 1 1 A 72 72 PRO HA H 72 4.170 4.316 -0.146 1
1 673 . 9 1 1 A 72 72 PRO C C 72 176.200 177.328 -1.128 1
1 674 . 9 1 1 A 72 72 PRO CA C 72 64.100 63.707 0.393 1
1 675 . 9 1 1 A 72 72 PRO CB C 72 32.200 31.636 0.564 1
1 678 . 9 1 1 A 73 73 GLY H H 73 8.500 9.369 -0.869 1
1 679 . 9 1 1 A 73 73 GLY HA2 H 73 3.860 3.844 0.016 1
1 680 . 9 1 1 A 73 73 GLY HA3 H 73 4.550 3.844 0.706 1
1 681 . 9 1 1 A 73 73 GLY CA C 73 45.700 45.320 0.380 1
1 682 . 9 1 1 A 73 73 GLY N N 73 112.200 111.082 1.118 1
1 683 . 9 1 1 A 74 74 ILE H H 74 8.360 7.320 1.040 1
1 684 . 9 1 1 A 74 74 ILE HA H 74 4.580 4.077 0.503 1
1 694 . 9 1 1 A 74 74 ILE C C 74 175.700 177.209 -1.509 1
1 695 . 9 1 1 A 74 74 ILE CA C 74 62.700 62.701 -0.001 1
1 696 . 9 1 1 A 74 74 ILE CB C 74 38.400 38.543 -0.143 1
1 700 . 9 1 1 A 74 74 ILE N N 74 120.200 119.916 0.284 1
1 701 . 9 1 1 A 75 75 ASN H H 75 8.470 7.928 0.542 1
1 702 . 9 1 1 A 75 75 ASN HA H 75 4.970 4.678 0.292 1
1 706 . 9 1 1 A 75 75 ASN C C 75 172.900 174.517 -1.617 1
1 707 . 9 1 1 A 75 75 ASN CA C 75 52.600 52.641 -0.041 1
1 708 . 9 1 1 A 75 75 ASN CB C 75 38.600 38.368 0.232 1
1 709 . 9 1 1 A 75 75 ASN N N 75 116.400 115.213 1.187 1
1 711 . 9 1 1 A 76 76 ALA H H 76 7.250 7.593 -0.343 1
1 712 . 9 1 1 A 76 76 ALA HA H 76 5.510 5.296 0.214 1
1 716 . 9 1 1 A 76 76 ALA C C 76 176.200 174.947 1.253 1
1 717 . 9 1 1 A 76 76 ALA CA C 76 50.400 51.410 -1.010 1
1 718 . 9 1 1 A 76 76 ALA CB C 76 23.200 22.966 0.234 1
1 719 . 9 1 1 A 76 76 ALA N N 76 117.400 120.110 -2.710 1
1 720 . 9 1 1 A 77 77 ARG H H 77 8.850 8.999 -0.149 1
1 721 . 9 1 1 A 77 77 ARG HA H 77 4.950 5.143 -0.193 1
1 728 . 9 1 1 A 77 77 ARG CA C 77 54.800 54.529 0.271 1
1 729 . 9 1 1 A 77 77 ARG CB C 77 33.700 34.026 -0.326 1
1 732 . 9 1 1 A 77 77 ARG N N 77 123.000 122.120 0.880 1
1 733 . 9 1 1 A 78 78 VAL H H 78 8.920 8.993 -0.073 1
1 734 . 9 1 1 A 78 78 VAL HA H 78 4.730 5.391 -0.661 1
1 742 . 9 1 1 A 78 78 VAL CA C 78 61.400 59.632 1.768 1
1 743 . 9 1 1 A 78 78 VAL CB C 78 34.400 34.682 -0.282 1
1 746 . 9 1 1 A 78 78 VAL N N 78 127.400 124.653 2.747 1
1 747 . 9 1 1 A 79 79 ARG H H 79 9.000 9.135 -0.135 1
1 748 . 9 1 1 A 79 79 ARG HA H 79 4.750 5.040 -0.290 1
1 754 . 9 1 1 A 79 79 ARG CA C 79 54.400 54.490 -0.090 1
1 755 . 9 1 1 A 79 79 ARG CB C 79 34.300 33.403 0.897 1
1 758 . 9 1 1 A 79 79 ARG N N 79 126.400 129.864 -3.464 1
1 759 . 9 1 1 A 80 80 LEU H H 80 8.480 9.160 -0.680 1
1 760 . 9 1 1 A 80 80 LEU HA H 80 4.690 5.073 -0.383 1
1 770 . 9 1 1 A 80 80 LEU CA C 80 54.600 53.643 0.957 1
1 771 . 9 1 1 A 80 80 LEU CB C 80 43.500 42.792 0.708 1
1 775 . 9 1 1 A 80 80 LEU N N 80 124.700 128.698 -3.998 1
1 776 . 9 1 1 A 81 81 ARG H H 81 8.800 9.127 -0.327 1
1 777 . 9 1 1 A 81 81 ARG HA H 81 4.540 4.905 -0.365 1
1 781 . 9 1 1 A 81 81 ARG CA C 81 54.600 54.483 0.117 1
1 782 . 9 1 1 A 81 81 ARG CB C 81 31.600 33.420 -1.820 1
1 785 . 9 1 1 A 81 81 ARG N N 81 126.100 124.392 1.708 1
1 786 . 9 1 1 A 86 86 PRO HA H 86 4.700 4.874 -0.174 1
1 792 . 9 1 1 A 86 86 PRO C C 86 176.400 175.412 0.988 1
1 793 . 9 1 1 A 86 86 PRO CA C 86 64.000 62.812 1.188 1
1 794 . 9 1 1 A 86 86 PRO CB C 86 32.600 32.567 0.033 1
1 796 . 9 1 1 A 87 87 HIS H H 87 8.560 8.326 0.234 1
1 797 . 9 1 1 A 87 87 HIS HA H 87 5.140 5.027 0.113 1
1 800 . 9 1 1 A 87 87 HIS C C 87 172.600 172.991 -0.391 1
1 801 . 9 1 1 A 87 87 HIS CA C 87 56.000 55.870 0.130 1
1 802 . 9 1 1 A 87 87 HIS CB C 87 32.400 33.303 -0.903 1
1 803 . 9 1 1 A 87 87 HIS N N 87 118.700 122.344 -3.644 1
1 804 . 9 1 1 A 88 88 ILE H H 88 9.250 8.327 0.923 1
1 805 . 9 1 1 A 88 88 ILE HA H 88 4.710 5.068 -0.358 1
1 815 . 9 1 1 A 88 88 ILE CA C 88 60.200 59.059 1.141 1
1 816 . 9 1 1 A 88 88 ILE CB C 88 40.600 41.545 -0.945 1
1 820 . 9 1 1 A 88 88 ILE N N 88 120.600 122.193 -1.593 1
1 821 . 9 1 1 A 89 89 VAL H H 89 9.050 9.188 -0.138 1
1 822 . 9 1 1 A 89 89 VAL HA H 89 4.800 5.204 -0.404 1
1 830 . 9 1 1 A 89 89 VAL C C 89 175.000 174.580 0.420 1
1 831 . 9 1 1 A 89 89 VAL CA C 89 61.400 60.093 1.307 1
1 832 . 9 1 1 A 89 89 VAL CB C 89 34.400 34.412 -0.012 1
1 835 . 9 1 1 A 90 90 VAL H H 90 9.340 9.743 -0.403 1
1 836 . 9 1 1 A 90 90 VAL HA H 90 5.160 5.304 -0.144 1
1 844 . 9 1 1 A 90 90 VAL C C 90 173.600 175.225 -1.625 1
1 845 . 9 1 1 A 90 90 VAL CA C 90 61.400 60.803 0.597 1
1 846 . 9 1 1 A 90 90 VAL CB C 90 34.100 34.444 -0.344 1
1 849 . 9 1 1 A 90 90 VAL N N 90 128.000 125.461 2.539 1
1 850 . 9 1 1 A 91 91 LYS H H 91 9.030 9.103 -0.073 1
1 851 . 9 1 1 A 91 91 LYS HA H 91 5.160 5.381 -0.221 1
1 858 . 9 1 1 A 91 91 LYS C C 91 175.300 174.848 0.452 1
1 859 . 9 1 1 A 91 91 LYS CA C 91 54.100 54.766 -0.666 1
1 860 . 9 1 1 A 91 91 LYS CB C 91 36.600 35.286 1.314 1
1 864 . 9 1 1 A 91 91 LYS N N 91 128.100 124.719 3.381 1
1 865 . 9 1 1 A 92 92 CYS H H 92 9.050 8.596 0.454 1
1 866 . 9 1 1 A 92 92 CYS HA H 92 4.950 5.145 -0.195 1
1 869 . 9 1 1 A 92 92 CYS C C 92 177.300 175.601 1.699 1
1 870 . 9 1 1 A 92 92 CYS CA C 92 59.600 56.887 2.713 1
1 871 . 9 1 1 A 92 92 CYS CB C 92 32.600 30.561 2.039 1
1 872 . 9 1 1 A 92 92 CYS N N 92 129.900 122.410 7.490 1
1 873 . 9 1 1 A 93 93 LEU H H 93 8.910 9.671 -0.761 1
1 874 . 9 1 1 A 93 93 LEU HA H 93 4.480 3.955 0.525 1
1 884 . 9 1 1 A 93 93 LEU C C 93 178.100 178.445 -0.345 1
1 885 . 9 1 1 A 93 93 LEU CA C 93 55.300 58.230 -2.930 1
1 886 . 9 1 1 A 93 93 LEU CB C 93 40.500 41.611 -1.111 1
1 890 . 9 1 1 A 93 93 LEU N N 93 127.300 129.806 -2.506 1
1 891 . 9 1 1 A 94 94 GLU H H 94 9.460 8.317 1.143 1
1 892 . 9 1 1 A 94 94 GLU HA H 94 4.420 4.056 0.364 1
1 897 . 9 1 1 A 94 94 GLU C C 94 178.400 179.137 -0.737 1
1 898 . 9 1 1 A 94 94 GLU CA C 94 59.700 59.272 0.428 1
1 899 . 9 1 1 A 94 94 GLU CB C 94 29.900 29.239 0.661 1
1 901 . 9 1 1 A 94 94 GLU N N 94 122.900 118.361 4.539 1
1 902 . 9 1 1 A 95 95 CYS H H 95 9.110 7.519 1.591 1
1 903 . 9 1 1 A 95 95 CYS HA H 95 5.140 4.454 0.686 1
1 906 . 9 1 1 A 95 95 CYS C C 95 176.900 175.614 1.286 1
1 907 . 9 1 1 A 95 95 CYS CA C 95 58.900 60.006 -1.106 1
1 908 . 9 1 1 A 95 95 CYS CB C 95 33.600 28.862 4.738 1
1 909 . 9 1 1 A 95 95 CYS N N 95 119.200 114.840 4.360 1
1 910 . 9 1 1 A 96 96 GLY H H 96 8.000 8.766 -0.766 1
1 911 . 9 1 1 A 96 96 GLY HA2 H 96 3.850 3.603 0.247 1
1 912 . 9 1 1 A 96 96 GLY C C 96 174.100 173.458 0.642 1
1 913 . 9 1 1 A 96 96 GLY CA C 96 46.500 45.566 0.934 1
1 914 . 9 1 1 A 96 96 GLY N N 96 115.300 110.746 4.554 1
1 915 . 9 1 1 A 97 97 HIS H H 97 9.310 7.203 2.107 1
1 916 . 9 1 1 A 97 97 HIS HA H 97 4.500 5.014 -0.514 1
1 919 . 9 1 1 A 97 97 HIS C C 97 173.200 173.774 -0.574 1
1 920 . 9 1 1 A 97 97 HIS CA C 97 58.600 54.854 3.746 1
1 921 . 9 1 1 A 97 97 HIS CB C 97 33.000 33.412 -0.412 1
1 922 . 9 1 1 A 97 97 HIS N N 97 125.300 117.169 8.131 1
1 923 . 9 1 1 A 98 98 ILE H H 98 6.890 8.867 -1.977 1
1 924 . 9 1 1 A 98 98 ILE HA H 98 4.760 4.862 -0.102 1
1 934 . 9 1 1 A 98 98 ILE C C 98 175.000 174.007 0.993 1
1 935 . 9 1 1 A 98 98 ILE CA C 98 60.000 60.560 -0.560 1
1 936 . 9 1 1 A 98 98 ILE CB C 98 40.200 40.366 -0.166 1
1 940 . 9 1 1 A 98 98 ILE N N 98 123.600 123.730 -0.130 1
1 941 . 9 1 1 A 99 99 MET H H 99 9.050 9.879 -0.829 1
1 942 . 9 1 1 A 99 99 MET HA H 99 4.630 5.385 -0.755 1
1 950 . 9 1 1 A 99 99 MET C C 99 173.100 174.885 -1.785 1
1 951 . 9 1 1 A 99 99 MET CA C 99 54.400 53.984 0.416 1
1 952 . 9 1 1 A 99 99 MET CB C 99 37.900 34.743 3.157 1
1 955 . 9 1 1 A 99 99 MET N N 99 126.400 128.041 -1.641 1
1 956 . 9 1 1 A 100 100 ARG H H 100 7.930 9.076 -1.146 1
1 957 . 9 1 1 A 100 100 ARG HA H 100 5.370 4.963 0.407 1
1 963 . 9 1 1 A 100 100 ARG C C 100 175.200 175.127 0.073 1
1 964 . 9 1 1 A 100 100 ARG CA C 100 54.700 55.198 -0.498 1
1 965 . 9 1 1 A 100 100 ARG CB C 100 33.600 33.211 0.389 1
1 968 . 9 1 1 A 100 100 ARG N N 100 120.200 123.401 -3.201 1
1 969 . 9 1 1 A 101 101 TYR H H 101 9.110 8.908 0.202 1
1 970 . 9 1 1 A 101 101 TYR HA H 101 5.130 5.208 -0.078 1
1 977 . 9 1 1 A 101 101 TYR CA C 101 55.300 55.006 0.294 1
1 978 . 9 1 1 A 101 101 TYR CB C 101 40.900 39.284 1.616 1
1 983 . 9 1 1 A 101 101 TYR N N 101 121.100 122.267 -1.167 1
1 1 . 10 1 1 A 18 18 ILE HA H 18 3.610 3.745 -0.135 1
1 11 . 10 1 1 A 18 18 ILE C C 18 176.800 177.794 -0.994 1
1 12 . 10 1 1 A 18 18 ILE CA C 18 66.700 65.810 0.890 1
1 13 . 10 1 1 A 18 18 ILE CB C 18 38.600 37.557 1.043 1
1 17 . 10 1 1 A 19 19 ASP H H 19 8.050 8.690 -0.640 1
1 18 . 10 1 1 A 19 19 ASP HA H 19 4.580 4.325 0.255 1
1 21 . 10 1 1 A 19 19 ASP CA C 19 58.200 57.862 0.338 1
1 22 . 10 1 1 A 19 19 ASP CB C 19 42.500 41.467 1.033 1
1 23 . 10 1 1 A 19 19 ASP N N 19 119.100 120.516 -1.416 1
1 24 . 10 1 1 A 20 20 ILE H H 20 8.240 8.244 -0.004 1
1 25 . 10 1 1 A 20 20 ILE HA H 20 3.730 3.729 0.001 1
1 35 . 10 1 1 A 20 20 ILE CA C 20 65.000 65.498 -0.498 1
1 36 . 10 1 1 A 20 20 ILE CB C 20 38.300 37.816 0.484 1
1 40 . 10 1 1 A 20 20 ILE N N 20 120.400 119.325 1.075 1
1 41 . 10 1 1 A 21 21 LEU H H 21 7.870 8.678 -0.808 1
1 42 . 10 1 1 A 21 21 LEU HA H 21 4.440 4.095 0.345 1
1 49 . 10 1 1 A 21 21 LEU C C 21 178.700 178.929 -0.229 1
1 50 . 10 1 1 A 21 21 LEU CA C 21 59.800 58.118 1.682 1
1 51 . 10 1 1 A 21 21 LEU CB C 21 42.200 41.615 0.585 1
1 54 . 10 1 1 A 21 21 LEU N N 21 121.100 121.295 -0.195 1
1 55 . 10 1 1 A 22 22 PHE H H 22 7.820 9.087 -1.267 1
1 56 . 10 1 1 A 22 22 PHE HA H 22 3.480 4.294 -0.814 1
1 63 . 10 1 1 A 22 22 PHE C C 22 177.300 177.476 -0.176 1
1 64 . 10 1 1 A 22 22 PHE CA C 22 63.100 62.106 0.994 1
1 65 . 10 1 1 A 22 22 PHE CB C 22 36.400 39.183 -2.783 1
1 70 . 10 1 1 A 22 22 PHE N N 22 116.900 119.836 -2.936 1
1 71 . 10 1 1 A 23 23 SER H H 23 7.940 8.292 -0.352 1
1 72 . 10 1 1 A 23 23 SER HA H 23 4.520 4.166 0.354 1
1 75 . 10 1 1 A 23 23 SER C C 23 177.300 177.684 -0.384 1
1 76 . 10 1 1 A 23 23 SER CA C 23 63.500 61.679 1.821 1
1 77 . 10 1 1 A 23 23 SER CB C 23 62.900 62.351 0.549 1
1 78 . 10 1 1 A 23 23 SER N N 23 114.400 114.226 0.174 1
1 79 . 10 1 1 A 24 24 LEU H H 24 8.050 7.695 0.355 1
1 80 . 10 1 1 A 24 24 LEU HA H 24 3.820 3.966 -0.146 1
1 89 . 10 1 1 A 24 24 LEU C C 24 178.200 178.737 -0.537 1
1 90 . 10 1 1 A 24 24 LEU CA C 24 58.100 57.359 0.741 1
1 91 . 10 1 1 A 24 24 LEU CB C 24 40.700 41.441 -0.741 1
1 95 . 10 1 1 A 24 24 LEU N N 24 124.700 122.465 2.235 1
1 96 . 10 1 1 A 25 25 ALA H H 25 7.590 9.043 -1.453 1
1 97 . 10 1 1 A 25 25 ALA HA H 25 3.820 3.890 -0.070 1
1 101 . 10 1 1 A 25 25 ALA C C 25 177.700 179.507 -1.807 1
1 102 . 10 1 1 A 25 25 ALA CA C 25 55.800 55.497 0.303 1
1 103 . 10 1 1 A 25 25 ALA CB C 25 18.400 18.372 0.028 1
1 104 . 10 1 1 A 25 25 ALA N N 25 122.400 122.061 0.339 1
1 105 . 10 1 1 A 26 26 GLU H H 26 7.690 8.154 -0.464 1
1 106 . 10 1 1 A 26 26 GLU HA H 26 4.270 3.662 0.608 1
1 111 . 10 1 1 A 26 26 GLU C C 26 178.600 178.478 0.122 1
1 112 . 10 1 1 A 26 26 GLU CA C 26 60.000 58.930 1.070 1
1 113 . 10 1 1 A 26 26 GLU CB C 26 31.100 29.130 1.970 1
1 115 . 10 1 1 A 26 26 GLU N N 26 116.000 119.560 -3.560 1
1 116 . 10 1 1 A 27 27 ARG H H 27 7.670 7.725 -0.055 1
1 117 . 10 1 1 A 27 27 ARG HA H 27 4.190 3.984 0.206 1
1 122 . 10 1 1 A 27 27 ARG C C 27 178.400 178.033 0.367 1
1 123 . 10 1 1 A 27 27 ARG CA C 27 58.800 58.457 0.343 1
1 124 . 10 1 1 A 27 27 ARG CB C 27 30.700 29.756 0.944 1
1 127 . 10 1 1 A 27 27 ARG N N 27 116.700 120.410 -3.710 1
1 128 . 10 1 1 A 28 28 VAL H H 28 8.230 7.747 0.483 1
1 129 . 10 1 1 A 28 28 VAL HA H 28 4.530 3.591 0.939 1
1 137 . 10 1 1 A 28 28 VAL C C 28 176.500 177.988 -1.488 1
1 138 . 10 1 1 A 28 28 VAL CA C 28 62.600 64.894 -2.294 1
1 139 . 10 1 1 A 28 28 VAL CB C 28 33.000 31.222 1.778 1
1 142 . 10 1 1 A 28 28 VAL N N 28 112.600 118.349 -5.749 1
1 143 . 10 1 1 A 29 29 PHE H H 29 8.020 8.054 -0.034 1
1 144 . 10 1 1 A 29 29 PHE HA H 29 3.960 4.267 -0.307 1
1 151 . 10 1 1 A 29 29 PHE CA C 29 64.500 62.650 1.850 1
1 152 . 10 1 1 A 29 29 PHE CB C 29 37.300 36.782 0.518 1
1 157 . 10 1 1 A 29 29 PHE N N 29 124.600 122.446 2.154 1
1 158 . 10 1 1 A 30 30 PRO HA H 30 4.150 4.032 0.118 1
1 163 . 10 1 1 A 30 30 PRO C C 30 176.600 178.711 -2.111 1
1 164 . 10 1 1 A 30 30 PRO CA C 30 65.600 65.777 -0.177 1
1 165 . 10 1 1 A 30 30 PRO CB C 30 31.400 30.828 0.572 1
1 168 . 10 1 1 A 31 31 TYR H H 31 7.540 8.750 -1.210 1
1 169 . 10 1 1 A 31 31 TYR HA H 31 4.600 4.302 0.298 1
1 176 . 10 1 1 A 31 31 TYR C C 31 176.500 176.617 -0.117 1
1 177 . 10 1 1 A 31 31 TYR CA C 31 58.300 60.774 -2.474 1
1 178 . 10 1 1 A 31 31 TYR CB C 31 39.400 38.379 1.021 1
1 183 . 10 1 1 A 31 31 TYR N N 31 113.500 117.831 -4.331 1
1 184 . 10 1 1 A 32 32 SER H H 32 8.210 8.162 0.048 1
1 185 . 10 1 1 A 32 32 SER HA H 32 4.770 4.810 -0.040 1
1 188 . 10 1 1 A 32 32 SER CA C 32 55.700 55.786 -0.086 1
1 189 . 10 1 1 A 32 32 SER CB C 32 63.200 65.602 -2.402 1
1 190 . 10 1 1 A 32 32 SER N N 32 111.700 111.966 -0.266 1
1 191 . 10 1 1 A 33 33 PRO HA H 33 4.250 4.522 -0.272 1
1 195 . 10 1 1 A 33 33 PRO C C 33 179.000 178.998 0.002 1
1 196 . 10 1 1 A 33 33 PRO CA C 33 65.400 65.595 -0.195 1
1 197 . 10 1 1 A 33 33 PRO CB C 33 33.000 31.819 1.181 1
1 200 . 10 1 1 A 34 34 GLU H H 34 8.390 8.395 -0.005 1
1 201 . 10 1 1 A 34 34 GLU HA H 34 4.130 4.159 -0.029 1
1 204 . 10 1 1 A 34 34 GLU C C 34 178.700 179.546 -0.846 1
1 205 . 10 1 1 A 34 34 GLU CA C 34 59.900 59.482 0.418 1
1 206 . 10 1 1 A 34 34 GLU CB C 34 30.000 29.505 0.495 1
1 208 . 10 1 1 A 34 34 GLU N N 34 118.500 117.925 0.575 1
1 209 . 10 1 1 A 35 35 LEU H H 35 7.970 8.787 -0.817 1
1 210 . 10 1 1 A 35 35 LEU HA H 35 4.070 4.065 0.005 1
1 217 . 10 1 1 A 35 35 LEU CA C 35 57.400 58.080 -0.680 1
1 218 . 10 1 1 A 35 35 LEU CB C 35 42.200 41.773 0.427 1
1 221 . 10 1 1 A 35 35 LEU N N 35 122.000 120.289 1.711 1
1 222 . 10 1 1 A 36 36 ALA H H 36 7.860 8.357 -0.497 1
1 223 . 10 1 1 A 36 36 ALA HA H 36 4.040 4.185 -0.145 1
1 227 . 10 1 1 A 36 36 ALA C C 36 178.600 179.220 -0.620 1
1 228 . 10 1 1 A 36 36 ALA CA C 36 56.400 55.412 0.988 1
1 229 . 10 1 1 A 36 36 ALA CB C 36 19.500 18.586 0.914 1
1 230 . 10 1 1 A 36 36 ALA N N 36 121.000 121.970 -0.970 1
1 231 . 10 1 1 A 37 37 LYS H H 37 7.910 8.085 -0.175 1
1 232 . 10 1 1 A 37 37 LYS HA H 37 4.300 3.987 0.313 1
1 237 . 10 1 1 A 37 37 LYS C C 37 177.800 178.511 -0.711 1
1 238 . 10 1 1 A 37 37 LYS CA C 37 59.700 59.784 -0.084 1
1 239 . 10 1 1 A 37 37 LYS CB C 37 32.400 32.700 -0.300 1
1 243 . 10 1 1 A 37 37 LYS N N 37 117.700 118.394 -0.694 1
1 244 . 10 1 1 A 38 38 ARG H H 38 7.640 7.632 0.008 1
1 245 . 10 1 1 A 38 38 ARG HA H 38 4.090 3.921 0.169 1
1 251 . 10 1 1 A 38 38 ARG C C 38 179.600 178.733 0.867 1
1 252 . 10 1 1 A 38 38 ARG CA C 38 59.300 59.112 0.188 1
1 253 . 10 1 1 A 38 38 ARG CB C 38 30.000 29.742 0.258 1
1 256 . 10 1 1 A 38 38 ARG N N 38 118.200 119.517 -1.317 1
1 257 . 10 1 1 A 39 39 TYR H H 39 7.860 8.022 -0.162 1
1 258 . 10 1 1 A 39 39 TYR HA H 39 4.290 4.396 -0.106 1
1 264 . 10 1 1 A 39 39 TYR C C 39 177.800 178.507 -0.707 1
1 265 . 10 1 1 A 39 39 TYR CA C 39 62.500 60.407 2.093 1
1 266 . 10 1 1 A 39 39 TYR CB C 39 38.300 38.010 0.290 1
1 271 . 10 1 1 A 39 39 TYR N N 39 119.200 119.712 -0.512 1
1 272 . 10 1 1 A 40 40 VAL H H 40 7.960 8.813 -0.853 1
1 273 . 10 1 1 A 40 40 VAL HA H 40 2.750 3.404 -0.654 1
1 281 . 10 1 1 A 40 40 VAL C C 40 177.800 178.273 -0.473 1
1 282 . 10 1 1 A 40 40 VAL CA C 40 67.300 66.413 0.887 1
1 283 . 10 1 1 A 40 40 VAL CB C 40 31.400 31.315 0.085 1
1 286 . 10 1 1 A 40 40 VAL N N 40 120.800 119.684 1.116 1
1 287 . 10 1 1 A 41 41 GLU H H 41 8.660 7.912 0.748 1
1 288 . 10 1 1 A 41 41 GLU HA H 41 3.680 4.043 -0.363 1
1 291 . 10 1 1 A 41 41 GLU C C 41 179.900 178.525 1.375 1
1 292 . 10 1 1 A 41 41 GLU CA C 41 60.500 58.804 1.696 1
1 293 . 10 1 1 A 41 41 GLU CB C 41 29.400 29.417 -0.017 1
1 295 . 10 1 1 A 41 41 GLU N N 41 117.000 120.454 -3.454 1
1 296 . 10 1 1 A 42 42 LEU H H 42 7.960 8.019 -0.059 1
1 297 . 10 1 1 A 42 42 LEU HA H 42 4.130 4.084 0.046 1
1 306 . 10 1 1 A 42 42 LEU C C 42 178.300 178.254 0.046 1
1 307 . 10 1 1 A 42 42 LEU CA C 42 58.000 57.793 0.207 1
1 308 . 10 1 1 A 42 42 LEU CB C 42 42.300 41.347 0.953 1
1 312 . 10 1 1 A 42 42 LEU N N 42 120.300 121.308 -1.008 1
1 313 . 10 1 1 A 43 43 ALA H H 43 8.040 7.700 0.340 1
1 314 . 10 1 1 A 43 43 ALA HA H 43 3.740 3.888 -0.148 1
1 318 . 10 1 1 A 43 43 ALA C C 43 179.400 179.988 -0.588 1
1 319 . 10 1 1 A 43 43 ALA CA C 43 55.700 55.231 0.469 1
1 320 . 10 1 1 A 43 43 ALA CB C 43 18.500 18.509 -0.009 1
1 321 . 10 1 1 A 43 43 ALA N N 43 123.600 121.027 2.573 1
1 322 . 10 1 1 A 44 44 LEU H H 44 8.340 7.777 0.563 1
1 323 . 10 1 1 A 44 44 LEU HA H 44 4.070 3.701 0.369 1
1 333 . 10 1 1 A 44 44 LEU C C 44 180.000 179.250 0.750 1
1 334 . 10 1 1 A 44 44 LEU CA C 44 57.500 57.569 -0.069 1
1 335 . 10 1 1 A 44 44 LEU CB C 44 40.800 41.598 -0.798 1
1 339 . 10 1 1 A 44 44 LEU N N 44 116.800 118.225 -1.425 1
1 340 . 10 1 1 A 45 45 LEU H H 45 7.860 7.922 -0.062 1
1 341 . 10 1 1 A 45 45 LEU HA H 45 4.170 3.986 0.184 1
1 351 . 10 1 1 A 45 45 LEU C C 45 179.600 178.808 0.792 1
1 352 . 10 1 1 A 45 45 LEU CA C 45 58.400 58.096 0.304 1
1 353 . 10 1 1 A 45 45 LEU CB C 45 42.200 41.906 0.294 1
1 357 . 10 1 1 A 45 45 LEU N N 45 122.600 118.952 3.648 1
1 358 . 10 1 1 A 46 46 VAL H H 46 8.070 8.071 -0.001 1
1 359 . 10 1 1 A 46 46 VAL HA H 46 3.610 3.461 0.149 1
1 367 . 10 1 1 A 46 46 VAL CA C 46 66.800 66.613 0.187 1
1 368 . 10 1 1 A 46 46 VAL CB C 46 31.600 31.173 0.427 1
1 370 . 10 1 1 A 46 46 VAL N N 46 120.100 119.065 1.035 1
1 371 . 10 1 1 A 47 47 GLN H H 47 8.360 8.307 0.053 1
1 372 . 10 1 1 A 47 47 GLN HA H 47 3.860 3.928 -0.068 1
1 378 . 10 1 1 A 47 47 GLN C C 47 178.000 178.048 -0.048 1
1 379 . 10 1 1 A 47 47 GLN CA C 47 60.200 59.194 1.006 1
1 380 . 10 1 1 A 47 47 GLN CB C 47 27.800 28.159 -0.359 1
1 382 . 10 1 1 A 47 47 GLN N N 47 120.000 119.449 0.551 1
1 384 . 10 1 1 A 48 48 GLN H H 48 8.110 8.186 -0.076 1
1 385 . 10 1 1 A 48 48 GLN HA H 48 4.080 4.013 0.067 1
1 392 . 10 1 1 A 48 48 GLN C C 48 178.500 178.207 0.293 1
1 393 . 10 1 1 A 48 48 GLN CA C 48 58.900 58.748 0.152 1
1 394 . 10 1 1 A 48 48 GLN CB C 48 29.400 28.357 1.043 1
1 396 . 10 1 1 A 48 48 GLN N N 48 117.600 117.328 0.272 1
1 398 . 10 1 1 A 49 49 LYS H H 49 8.110 7.773 0.337 1
1 399 . 10 1 1 A 49 49 LYS HA H 49 4.190 4.004 0.186 1
1 405 . 10 1 1 A 49 49 LYS C C 49 177.800 179.209 -1.409 1
1 406 . 10 1 1 A 49 49 LYS CA C 49 58.600 59.240 -0.640 1
1 407 . 10 1 1 A 49 49 LYS CB C 49 33.000 32.127 0.873 1
1 411 . 10 1 1 A 49 49 LYS N N 49 118.100 119.530 -1.430 1
1 412 . 10 1 1 A 50 50 ALA H H 50 8.240 8.092 0.148 1
1 413 . 10 1 1 A 50 50 ALA HA H 50 4.460 4.307 0.153 1
1 417 . 10 1 1 A 50 50 ALA C C 50 176.700 176.527 0.173 1
1 418 . 10 1 1 A 50 50 ALA CA C 50 52.700 52.537 0.163 1
1 419 . 10 1 1 A 50 50 ALA CB C 50 21.100 19.372 1.728 1
1 420 . 10 1 1 A 50 50 ALA N N 50 119.000 119.124 -0.124 1
1 421 . 10 1 1 A 51 51 LYS H H 51 8.000 7.604 0.396 1
1 422 . 10 1 1 A 51 51 LYS HA H 51 4.030 3.765 0.265 1
1 429 . 10 1 1 A 51 51 LYS C C 51 175.800 174.664 1.136 1
1 430 . 10 1 1 A 51 51 LYS CA C 51 57.500 57.262 0.238 1
1 431 . 10 1 1 A 51 51 LYS CB C 51 29.500 29.479 0.021 1
1 435 . 10 1 1 A 51 51 LYS N N 51 114.500 115.227 -0.727 1
1 436 . 10 1 1 A 52 52 VAL H H 52 7.000 7.305 -0.305 1
1 437 . 10 1 1 A 52 52 VAL HA H 52 4.570 4.760 -0.190 1
1 445 . 10 1 1 A 52 52 VAL C C 52 175.000 174.501 0.499 1
1 446 . 10 1 1 A 52 52 VAL CA C 52 59.600 60.107 -0.507 1
1 447 . 10 1 1 A 52 52 VAL CB C 52 34.900 34.578 0.322 1
1 450 . 10 1 1 A 52 52 VAL N N 52 111.600 113.788 -2.188 1
1 451 . 10 1 1 A 53 53 LYS H H 53 8.150 8.855 -0.705 1
1 452 . 10 1 1 A 53 53 LYS HA H 53 4.510 4.947 -0.437 1
1 454 . 10 1 1 A 53 53 LYS C C 53 176.800 175.609 1.191 1
1 455 . 10 1 1 A 53 53 LYS CA C 53 55.700 54.887 0.813 1
1 456 . 10 1 1 A 53 53 LYS CB C 53 34.000 35.129 -1.129 1
1 457 . 10 1 1 A 53 53 LYS N N 53 120.800 124.321 -3.521 1
1 458 . 10 1 1 A 54 54 ILE H H 54 8.370 8.624 -0.254 1
1 459 . 10 1 1 A 54 54 ILE HA H 54 4.530 4.663 -0.133 1
1 469 . 10 1 1 A 54 54 ILE CA C 54 58.700 58.252 0.448 1
1 470 . 10 1 1 A 54 54 ILE CB C 54 38.400 39.748 -1.348 1
1 474 . 10 1 1 A 54 54 ILE N N 54 122.500 120.255 2.245 1
1 475 . 10 1 1 A 57 57 LYS HA H 57 3.780 3.749 0.031 1
1 484 . 10 1 1 A 57 57 LYS C C 57 176.300 177.819 -1.519 1
1 485 . 10 1 1 A 57 57 LYS CA C 57 59.000 58.737 0.263 1
1 486 . 10 1 1 A 57 57 LYS CB C 57 32.300 31.860 0.440 1
1 490 . 10 1 1 A 58 58 TRP H H 58 7.250 7.499 -0.249 1
1 491 . 10 1 1 A 58 58 TRP HA H 58 4.850 4.493 0.357 1
1 500 . 10 1 1 A 58 58 TRP C C 58 176.800 177.398 -0.598 1
1 501 . 10 1 1 A 58 58 TRP CA C 58 55.400 58.172 -2.772 1
1 502 . 10 1 1 A 58 58 TRP CB C 58 31.300 30.884 0.416 1
1 508 . 10 1 1 A 58 58 TRP N N 58 116.300 117.000 -0.700 1
1 510 . 10 1 1 A 59 59 LYS H H 59 7.310 8.477 -1.167 1
1 511 . 10 1 1 A 59 59 LYS HA H 59 3.960 3.548 0.412 1
1 517 . 10 1 1 A 59 59 LYS CA C 59 60.600 59.144 1.456 1
1 518 . 10 1 1 A 59 59 LYS CB C 59 33.500 31.815 1.685 1
1 522 . 10 1 1 A 59 59 LYS N N 59 118.600 119.737 -1.137 1
1 523 . 10 1 1 A 60 60 ARG HA H 60 4.540 4.447 0.093 1
1 528 . 10 1 1 A 60 60 ARG C C 60 177.200 177.453 -0.253 1
1 529 . 10 1 1 A 60 60 ARG CA C 60 55.400 56.711 -1.311 1
1 530 . 10 1 1 A 60 60 ARG CB C 60 30.400 30.373 0.027 1
1 533 . 10 1 1 A 61 61 ARG H H 61 7.620 7.549 0.071 1
1 534 . 10 1 1 A 61 61 ARG HA H 61 4.250 4.575 -0.325 1
1 537 . 10 1 1 A 61 61 ARG C C 61 172.300 174.685 -2.385 1
1 538 . 10 1 1 A 61 61 ARG CA C 61 54.400 55.512 -1.112 1
1 539 . 10 1 1 A 61 61 ARG CB C 61 27.900 30.507 -2.607 1
1 541 . 10 1 1 A 61 61 ARG N N 61 116.000 117.210 -1.210 1
1 542 . 10 1 1 A 62 62 TYR H H 62 6.980 7.832 -0.852 1
1 543 . 10 1 1 A 62 62 TYR HA H 62 5.860 5.566 0.294 1
1 550 . 10 1 1 A 62 62 TYR C C 62 173.100 172.764 0.336 1
1 551 . 10 1 1 A 62 62 TYR CA C 62 55.000 56.004 -1.004 1
1 552 . 10 1 1 A 62 62 TYR CB C 62 43.000 41.329 1.671 1
1 557 . 10 1 1 A 62 62 TYR N N 62 112.300 116.398 -4.098 1
1 558 . 10 1 1 A 63 63 CYS H H 63 9.220 8.826 0.394 1
1 559 . 10 1 1 A 63 63 CYS HA H 63 4.280 4.501 -0.221 1
1 562 . 10 1 1 A 63 63 CYS C C 63 178.000 175.731 2.269 1
1 563 . 10 1 1 A 63 63 CYS CA C 63 59.900 58.860 1.040 1
1 564 . 10 1 1 A 63 63 CYS CB C 63 32.300 28.897 3.403 1
1 565 . 10 1 1 A 63 63 CYS N N 63 124.100 120.675 3.425 1
1 566 . 10 1 1 A 64 64 LYS H H 64 7.820 8.727 -0.907 1
1 567 . 10 1 1 A 64 64 LYS HA H 64 4.240 3.638 0.602 1
1 571 . 10 1 1 A 64 64 LYS C C 64 175.400 177.955 -2.555 1
1 572 . 10 1 1 A 64 64 LYS CA C 64 59.500 59.989 -0.489 1
1 573 . 10 1 1 A 64 64 LYS CB C 64 33.600 32.210 1.390 1
1 577 . 10 1 1 A 64 64 LYS N N 64 129.300 126.178 3.122 1
1 578 . 10 1 1 A 65 65 LYS H H 65 9.270 7.867 1.403 1
1 579 . 10 1 1 A 65 65 LYS HA H 65 4.250 4.112 0.138 1
1 586 . 10 1 1 A 65 65 LYS C C 65 176.300 178.609 -2.309 1
1 587 . 10 1 1 A 65 65 LYS CA C 65 58.500 58.130 0.370 1
1 588 . 10 1 1 A 65 65 LYS CB C 65 33.700 33.443 0.257 1
1 592 . 10 1 1 A 65 65 LYS N N 65 122.500 117.214 5.286 1
1 593 . 10 1 1 A 66 66 CYS H H 66 9.190 7.806 1.384 1
1 594 . 10 1 1 A 66 66 CYS HA H 66 4.560 4.381 0.179 1
1 597 . 10 1 1 A 66 66 CYS C C 66 176.200 174.883 1.317 1
1 598 . 10 1 1 A 66 66 CYS CA C 66 59.700 62.681 -2.981 1
1 599 . 10 1 1 A 66 66 CYS CB C 66 32.200 27.718 4.482 1
1 600 . 10 1 1 A 66 66 CYS N N 66 121.200 117.150 4.050 1
1 601 . 10 1 1 A 67 67 HIS H H 67 7.700 7.886 -0.186 1
1 602 . 10 1 1 A 67 67 HIS HA H 67 4.850 4.317 0.533 1
1 604 . 10 1 1 A 67 67 HIS C C 67 171.000 173.779 -2.779 1
1 605 . 10 1 1 A 67 67 HIS CA C 67 56.200 57.026 -0.826 1
1 606 . 10 1 1 A 67 67 HIS CB C 67 26.800 26.747 0.053 1
1 607 . 10 1 1 A 67 67 HIS N N 67 114.200 115.884 -1.684 1
1 608 . 10 1 1 A 68 68 ALA H H 68 8.720 7.730 0.990 1
1 609 . 10 1 1 A 68 68 ALA HA H 68 4.230 4.957 -0.727 1
1 613 . 10 1 1 A 68 68 ALA C C 68 177.800 176.049 1.751 1
1 614 . 10 1 1 A 68 68 ALA CA C 68 53.800 50.270 3.530 1
1 615 . 10 1 1 A 68 68 ALA CB C 68 19.800 22.898 -3.098 1
1 616 . 10 1 1 A 68 68 ALA N N 68 119.600 119.411 0.189 1
1 617 . 10 1 1 A 69 69 PHE H H 69 8.500 8.799 -0.299 1
1 618 . 10 1 1 A 69 69 PHE HA H 69 4.590 4.925 -0.335 1
1 626 . 10 1 1 A 69 69 PHE C C 69 174.200 173.918 0.282 1
1 627 . 10 1 1 A 69 69 PHE CA C 69 58.300 59.499 -1.199 1
1 628 . 10 1 1 A 69 69 PHE CB C 69 40.900 38.974 1.926 1
1 634 . 10 1 1 A 69 69 PHE N N 69 122.200 121.695 0.505 1
1 635 . 10 1 1 A 70 70 LEU H H 70 7.550 9.538 -1.988 1
1 636 . 10 1 1 A 70 70 LEU HA H 70 4.540 5.411 -0.871 1
1 645 . 10 1 1 A 70 70 LEU C C 70 176.000 175.580 0.420 1
1 646 . 10 1 1 A 70 70 LEU CA C 70 53.700 53.827 -0.127 1
1 647 . 10 1 1 A 70 70 LEU CB C 70 43.600 44.370 -0.770 1
1 651 . 10 1 1 A 70 70 LEU N N 70 124.700 129.447 -4.747 1
1 652 . 10 1 1 A 71 71 VAL H H 71 9.700 9.052 0.648 1
1 653 . 10 1 1 A 71 71 VAL HA H 71 4.140 4.718 -0.578 1
1 661 . 10 1 1 A 71 71 VAL CA C 71 59.600 59.033 0.567 1
1 662 . 10 1 1 A 71 71 VAL CB C 71 34.000 36.016 -2.016 1
1 665 . 10 1 1 A 71 71 VAL N N 71 125.800 127.621 -1.821 1
1 666 . 10 1 1 A 72 72 PRO HA H 72 4.170 4.332 -0.162 1
1 673 . 10 1 1 A 72 72 PRO C C 72 176.200 177.316 -1.116 1
1 674 . 10 1 1 A 72 72 PRO CA C 72 64.100 63.744 0.356 1
1 675 . 10 1 1 A 72 72 PRO CB C 72 32.200 31.669 0.531 1
1 678 . 10 1 1 A 73 73 GLY H H 73 8.500 9.192 -0.692 1
1 679 . 10 1 1 A 73 73 GLY HA2 H 73 3.860 3.830 0.030 1
1 680 . 10 1 1 A 73 73 GLY HA3 H 73 4.550 3.854 0.696 1
1 681 . 10 1 1 A 73 73 GLY CA C 73 45.700 45.340 0.360 1
1 682 . 10 1 1 A 73 73 GLY N N 73 112.200 111.050 1.150 1
1 683 . 10 1 1 A 74 74 ILE H H 74 8.360 7.356 1.004 1
1 684 . 10 1 1 A 74 74 ILE HA H 74 4.580 4.096 0.484 1
1 694 . 10 1 1 A 74 74 ILE C C 74 175.700 177.552 -1.852 1
1 695 . 10 1 1 A 74 74 ILE CA C 74 62.700 62.862 -0.162 1
1 696 . 10 1 1 A 74 74 ILE CB C 74 38.400 38.284 0.116 1
1 700 . 10 1 1 A 74 74 ILE N N 74 120.200 120.037 0.163 1
1 701 . 10 1 1 A 75 75 ASN H H 75 8.470 8.319 0.151 1
1 702 . 10 1 1 A 75 75 ASN HA H 75 4.970 4.932 0.038 1
1 706 . 10 1 1 A 75 75 ASN C C 75 172.900 174.586 -1.686 1
1 707 . 10 1 1 A 75 75 ASN CA C 75 52.600 52.750 -0.150 1
1 708 . 10 1 1 A 75 75 ASN CB C 75 38.600 38.853 -0.253 1
1 709 . 10 1 1 A 75 75 ASN N N 75 116.400 115.651 0.749 1
1 711 . 10 1 1 A 76 76 ALA H H 76 7.250 7.718 -0.468 1
1 712 . 10 1 1 A 76 76 ALA HA H 76 5.510 5.400 0.110 1
1 716 . 10 1 1 A 76 76 ALA C C 76 176.200 175.094 1.106 1
1 717 . 10 1 1 A 76 76 ALA CA C 76 50.400 51.563 -1.163 1
1 718 . 10 1 1 A 76 76 ALA CB C 76 23.200 23.021 0.179 1
1 719 . 10 1 1 A 76 76 ALA N N 76 117.400 119.806 -2.406 1
1 720 . 10 1 1 A 77 77 ARG H H 77 8.850 8.966 -0.116 1
1 721 . 10 1 1 A 77 77 ARG HA H 77 4.950 5.208 -0.258 1
1 728 . 10 1 1 A 77 77 ARG CA C 77 54.800 54.615 0.185 1
1 729 . 10 1 1 A 77 77 ARG CB C 77 33.700 34.058 -0.358 1
1 732 . 10 1 1 A 77 77 ARG N N 77 123.000 121.787 1.213 1
1 733 . 10 1 1 A 78 78 VAL H H 78 8.920 9.017 -0.097 1
1 734 . 10 1 1 A 78 78 VAL HA H 78 4.730 5.368 -0.638 1
1 742 . 10 1 1 A 78 78 VAL CA C 78 61.400 59.692 1.708 1
1 743 . 10 1 1 A 78 78 VAL CB C 78 34.400 34.601 -0.201 1
1 746 . 10 1 1 A 78 78 VAL N N 78 127.400 124.586 2.814 1
1 747 . 10 1 1 A 79 79 ARG H H 79 9.000 8.923 0.077 1
1 748 . 10 1 1 A 79 79 ARG HA H 79 4.750 4.845 -0.095 1
1 754 . 10 1 1 A 79 79 ARG CA C 79 54.400 54.972 -0.572 1
1 755 . 10 1 1 A 79 79 ARG CB C 79 34.300 32.490 1.810 1
1 758 . 10 1 1 A 79 79 ARG N N 79 126.400 127.972 -1.572 1
1 759 . 10 1 1 A 80 80 LEU H H 80 8.480 9.229 -0.749 1
1 760 . 10 1 1 A 80 80 LEU HA H 80 4.690 4.860 -0.170 1
1 770 . 10 1 1 A 80 80 LEU CA C 80 54.600 53.686 0.914 1
1 771 . 10 1 1 A 80 80 LEU CB C 80 43.500 42.868 0.632 1
1 775 . 10 1 1 A 80 80 LEU N N 80 124.700 124.812 -0.112 1
1 776 . 10 1 1 A 81 81 ARG H H 81 8.800 8.616 0.184 1
1 777 . 10 1 1 A 81 81 ARG HA H 81 4.540 4.747 -0.207 1
1 781 . 10 1 1 A 81 81 ARG CA C 81 54.600 54.261 0.339 1
1 782 . 10 1 1 A 81 81 ARG CB C 81 31.600 32.721 -1.121 1
1 785 . 10 1 1 A 81 81 ARG N N 81 126.100 124.438 1.662 1
1 786 . 10 1 1 A 86 86 PRO HA H 86 4.700 4.961 -0.261 1
1 792 . 10 1 1 A 86 86 PRO C C 86 176.400 176.679 -0.279 1
1 793 . 10 1 1 A 86 86 PRO CA C 86 64.000 62.902 1.098 1
1 794 . 10 1 1 A 86 86 PRO CB C 86 32.600 32.641 -0.041 1
1 796 . 10 1 1 A 87 87 HIS H H 87 8.560 8.851 -0.291 1
1 797 . 10 1 1 A 87 87 HIS HA H 87 5.140 5.320 -0.180 1
1 800 . 10 1 1 A 87 87 HIS C C 87 172.600 172.649 -0.049 1
1 801 . 10 1 1 A 87 87 HIS CA C 87 56.000 54.566 1.434 1
1 802 . 10 1 1 A 87 87 HIS CB C 87 32.400 32.481 -0.081 1
1 803 . 10 1 1 A 87 87 HIS N N 87 118.700 117.158 1.542 1
1 804 . 10 1 1 A 88 88 ILE H H 88 9.250 8.939 0.311 1
1 805 . 10 1 1 A 88 88 ILE HA H 88 4.710 5.142 -0.432 1
1 815 . 10 1 1 A 88 88 ILE CA C 88 60.200 59.388 0.812 1
1 816 . 10 1 1 A 88 88 ILE CB C 88 40.600 42.238 -1.638 1
1 820 . 10 1 1 A 88 88 ILE N N 88 120.600 117.863 2.737 1
1 821 . 10 1 1 A 89 89 VAL H H 89 9.050 9.068 -0.018 1
1 822 . 10 1 1 A 89 89 VAL HA H 89 4.800 5.212 -0.412 1
1 830 . 10 1 1 A 89 89 VAL C C 89 175.000 174.615 0.385 1
1 831 . 10 1 1 A 89 89 VAL CA C 89 61.400 60.077 1.323 1
1 832 . 10 1 1 A 89 89 VAL CB C 89 34.400 34.324 0.076 1
1 835 . 10 1 1 A 90 90 VAL H H 90 9.340 9.688 -0.348 1
1 836 . 10 1 1 A 90 90 VAL HA H 90 5.160 5.399 -0.239 1
1 844 . 10 1 1 A 90 90 VAL C C 90 173.600 175.300 -1.700 1
1 845 . 10 1 1 A 90 90 VAL CA C 90 61.400 60.818 0.582 1
1 846 . 10 1 1 A 90 90 VAL CB C 90 34.100 34.566 -0.466 1
1 849 . 10 1 1 A 90 90 VAL N N 90 128.000 125.448 2.552 1
1 850 . 10 1 1 A 91 91 LYS H H 91 9.030 9.110 -0.080 1
1 851 . 10 1 1 A 91 91 LYS HA H 91 5.160 5.411 -0.251 1
1 858 . 10 1 1 A 91 91 LYS C C 91 175.300 174.664 0.636 1
1 859 . 10 1 1 A 91 91 LYS CA C 91 54.100 54.713 -0.613 1
1 860 . 10 1 1 A 91 91 LYS CB C 91 36.600 35.553 1.047 1
1 864 . 10 1 1 A 91 91 LYS N N 91 128.100 124.519 3.581 1
1 865 . 10 1 1 A 92 92 CYS H H 92 9.050 8.409 0.641 1
1 866 . 10 1 1 A 92 92 CYS HA H 92 4.950 5.284 -0.334 1
1 869 . 10 1 1 A 92 92 CYS C C 92 177.300 175.496 1.804 1
1 870 . 10 1 1 A 92 92 CYS CA C 92 59.600 57.023 2.577 1
1 871 . 10 1 1 A 92 92 CYS CB C 92 32.600 30.672 1.928 1
1 872 . 10 1 1 A 92 92 CYS N N 92 129.900 121.618 8.282 1
1 873 . 10 1 1 A 93 93 LEU H H 93 8.910 9.596 -0.686 1
1 874 . 10 1 1 A 93 93 LEU HA H 93 4.480 3.953 0.527 1
1 884 . 10 1 1 A 93 93 LEU C C 93 178.100 178.445 -0.345 1
1 885 . 10 1 1 A 93 93 LEU CA C 93 55.300 58.259 -2.959 1
1 886 . 10 1 1 A 93 93 LEU CB C 93 40.500 41.502 -1.002 1
1 890 . 10 1 1 A 93 93 LEU N N 93 127.300 129.693 -2.393 1
1 891 . 10 1 1 A 94 94 GLU H H 94 9.460 7.901 1.559 1
1 892 . 10 1 1 A 94 94 GLU HA H 94 4.420 4.078 0.342 1
1 897 . 10 1 1 A 94 94 GLU C C 94 178.400 179.084 -0.684 1
1 898 . 10 1 1 A 94 94 GLU CA C 94 59.700 59.238 0.462 1
1 899 . 10 1 1 A 94 94 GLU CB C 94 29.900 29.143 0.757 1
1 901 . 10 1 1 A 94 94 GLU N N 94 122.900 118.241 4.659 1
1 902 . 10 1 1 A 95 95 CYS H H 95 9.110 7.505 1.605 1
1 903 . 10 1 1 A 95 95 CYS HA H 95 5.140 4.461 0.679 1
1 906 . 10 1 1 A 95 95 CYS C C 95 176.900 175.717 1.183 1
1 907 . 10 1 1 A 95 95 CYS CA C 95 58.900 59.888 -0.988 1
1 908 . 10 1 1 A 95 95 CYS CB C 95 33.600 28.843 4.757 1
1 909 . 10 1 1 A 95 95 CYS N N 95 119.200 114.796 4.404 1
1 910 . 10 1 1 A 96 96 GLY H H 96 8.000 8.785 -0.785 1
1 911 . 10 1 1 A 96 96 GLY HA2 H 96 3.850 3.628 0.222 1
1 912 . 10 1 1 A 96 96 GLY C C 96 174.100 173.327 0.773 1
1 913 . 10 1 1 A 96 96 GLY CA C 96 46.500 45.611 0.889 1
1 914 . 10 1 1 A 96 96 GLY N N 96 115.300 110.791 4.509 1
1 915 . 10 1 1 A 97 97 HIS H H 97 9.310 7.741 1.569 1
1 916 . 10 1 1 A 97 97 HIS HA H 97 4.500 5.001 -0.501 1
1 919 . 10 1 1 A 97 97 HIS C C 97 173.200 173.763 -0.563 1
1 920 . 10 1 1 A 97 97 HIS CA C 97 58.600 54.856 3.744 1
1 921 . 10 1 1 A 97 97 HIS CB C 97 33.000 33.345 -0.345 1
1 922 . 10 1 1 A 97 97 HIS N N 97 125.300 117.212 8.088 1
1 923 . 10 1 1 A 98 98 ILE H H 98 6.890 8.836 -1.946 1
1 924 . 10 1 1 A 98 98 ILE HA H 98 4.760 4.720 0.040 1
1 934 . 10 1 1 A 98 98 ILE C C 98 175.000 173.976 1.024 1
1 935 . 10 1 1 A 98 98 ILE CA C 98 60.000 60.586 -0.586 1
1 936 . 10 1 1 A 98 98 ILE CB C 98 40.200 40.489 -0.289 1
1 940 . 10 1 1 A 98 98 ILE N N 98 123.600 123.603 -0.003 1
1 941 . 10 1 1 A 99 99 MET H H 99 9.050 9.659 -0.609 1
1 942 . 10 1 1 A 99 99 MET HA H 99 4.630 5.318 -0.688 1
1 950 . 10 1 1 A 99 99 MET C C 99 173.100 174.813 -1.713 1
1 951 . 10 1 1 A 99 99 MET CA C 99 54.400 53.843 0.557 1
1 952 . 10 1 1 A 99 99 MET CB C 99 37.900 34.815 3.085 1
1 955 . 10 1 1 A 99 99 MET N N 99 126.400 128.011 -1.611 1
1 956 . 10 1 1 A 100 100 ARG H H 100 7.930 8.889 -0.959 1
1 957 . 10 1 1 A 100 100 ARG HA H 100 5.370 4.881 0.489 1
1 963 . 10 1 1 A 100 100 ARG C C 100 175.200 174.405 0.795 1
1 964 . 10 1 1 A 100 100 ARG CA C 100 54.700 55.106 -0.406 1
1 965 . 10 1 1 A 100 100 ARG CB C 100 33.600 32.939 0.661 1
1 968 . 10 1 1 A 100 100 ARG N N 100 120.200 123.264 -3.064 1
1 969 . 10 1 1 A 101 101 TYR H H 101 9.110 8.961 0.149 1
1 970 . 10 1 1 A 101 101 TYR HA H 101 5.130 5.167 -0.037 1
1 977 . 10 1 1 A 101 101 TYR CA C 101 55.300 55.648 -0.348 1
1 978 . 10 1 1 A 101 101 TYR CB C 101 40.900 40.680 0.220 1
1 983 . 10 1 1 A 101 101 TYR N N 101 121.100 124.077 -2.977 1
1 1 . 11 1 1 A 18 18 ILE HA H 18 3.610 3.767 -0.157 1
1 11 . 11 1 1 A 18 18 ILE C C 18 176.800 177.887 -1.087 1
1 12 . 11 1 1 A 18 18 ILE CA C 18 66.700 65.669 1.031 1
1 13 . 11 1 1 A 18 18 ILE CB C 18 38.600 37.467 1.133 1
1 17 . 11 1 1 A 19 19 ASP H H 19 8.050 8.025 0.025 1
1 18 . 11 1 1 A 19 19 ASP HA H 19 4.580 4.434 0.146 1
1 21 . 11 1 1 A 19 19 ASP CA C 19 58.200 57.645 0.555 1
1 22 . 11 1 1 A 19 19 ASP CB C 19 42.500 40.106 2.394 1
1 23 . 11 1 1 A 19 19 ASP N N 19 119.100 120.454 -1.354 1
1 24 . 11 1 1 A 20 20 ILE H H 20 8.240 7.976 0.264 1
1 25 . 11 1 1 A 20 20 ILE HA H 20 3.730 3.691 0.039 1
1 35 . 11 1 1 A 20 20 ILE CA C 20 65.000 65.532 -0.532 1
1 36 . 11 1 1 A 20 20 ILE CB C 20 38.300 37.755 0.545 1
1 40 . 11 1 1 A 20 20 ILE N N 20 120.400 120.323 0.077 1
1 41 . 11 1 1 A 21 21 LEU H H 21 7.870 8.749 -0.879 1
1 42 . 11 1 1 A 21 21 LEU HA H 21 4.440 4.041 0.399 1
1 49 . 11 1 1 A 21 21 LEU C C 21 178.700 179.308 -0.608 1
1 50 . 11 1 1 A 21 21 LEU CA C 21 59.800 58.189 1.611 1
1 51 . 11 1 1 A 21 21 LEU CB C 21 42.200 41.851 0.349 1
1 54 . 11 1 1 A 21 21 LEU N N 21 121.100 118.744 2.356 1
1 55 . 11 1 1 A 22 22 PHE H H 22 7.820 8.713 -0.893 1
1 56 . 11 1 1 A 22 22 PHE HA H 22 3.480 3.857 -0.377 1
1 63 . 11 1 1 A 22 22 PHE C C 22 177.300 177.422 -0.122 1
1 64 . 11 1 1 A 22 22 PHE CA C 22 63.100 61.847 1.253 1
1 65 . 11 1 1 A 22 22 PHE CB C 22 36.400 38.963 -2.563 1
1 70 . 11 1 1 A 22 22 PHE N N 22 116.900 119.764 -2.864 1
1 71 . 11 1 1 A 23 23 SER H H 23 7.940 7.981 -0.041 1
1 72 . 11 1 1 A 23 23 SER HA H 23 4.520 4.303 0.217 1
1 75 . 11 1 1 A 23 23 SER C C 23 177.300 177.578 -0.278 1
1 76 . 11 1 1 A 23 23 SER CA C 23 63.500 61.658 1.842 1
1 77 . 11 1 1 A 23 23 SER CB C 23 62.900 62.999 -0.099 1
1 78 . 11 1 1 A 23 23 SER N N 23 114.400 114.499 -0.099 1
1 79 . 11 1 1 A 24 24 LEU H H 24 8.050 8.140 -0.090 1
1 80 . 11 1 1 A 24 24 LEU HA H 24 3.820 4.129 -0.309 1
1 89 . 11 1 1 A 24 24 LEU C C 24 178.200 179.078 -0.878 1
1 90 . 11 1 1 A 24 24 LEU CA C 24 58.100 57.614 0.486 1
1 91 . 11 1 1 A 24 24 LEU CB C 24 40.700 41.700 -1.000 1
1 95 . 11 1 1 A 24 24 LEU N N 24 124.700 121.104 3.596 1
1 96 . 11 1 1 A 25 25 ALA H H 25 7.590 9.132 -1.542 1
1 97 . 11 1 1 A 25 25 ALA HA H 25 3.820 4.158 -0.338 1
1 101 . 11 1 1 A 25 25 ALA C C 25 177.700 179.686 -1.986 1
1 102 . 11 1 1 A 25 25 ALA CA C 25 55.800 55.599 0.201 1
1 103 . 11 1 1 A 25 25 ALA CB C 25 18.400 18.137 0.263 1
1 104 . 11 1 1 A 25 25 ALA N N 25 122.400 122.137 0.263 1
1 105 . 11 1 1 A 26 26 GLU H H 26 7.690 8.047 -0.357 1
1 106 . 11 1 1 A 26 26 GLU HA H 26 4.270 4.304 -0.034 1
1 111 . 11 1 1 A 26 26 GLU C C 26 178.600 178.753 -0.153 1
1 112 . 11 1 1 A 26 26 GLU CA C 26 60.000 59.450 0.550 1
1 113 . 11 1 1 A 26 26 GLU CB C 26 31.100 29.373 1.727 1
1 115 . 11 1 1 A 26 26 GLU N N 26 116.000 119.336 -3.336 1
1 116 . 11 1 1 A 27 27 ARG H H 27 7.670 7.821 -0.151 1
1 117 . 11 1 1 A 27 27 ARG HA H 27 4.190 4.211 -0.021 1
1 122 . 11 1 1 A 27 27 ARG C C 27 178.400 178.274 0.126 1
1 123 . 11 1 1 A 27 27 ARG CA C 27 58.800 58.750 0.050 1
1 124 . 11 1 1 A 27 27 ARG CB C 27 30.700 29.996 0.704 1
1 127 . 11 1 1 A 27 27 ARG N N 27 116.700 120.570 -3.870 1
1 128 . 11 1 1 A 28 28 VAL H H 28 8.230 8.104 0.126 1
1 129 . 11 1 1 A 28 28 VAL HA H 28 4.530 3.812 0.718 1
1 137 . 11 1 1 A 28 28 VAL C C 28 176.500 177.354 -0.854 1
1 138 . 11 1 1 A 28 28 VAL CA C 28 62.600 64.972 -2.372 1
1 139 . 11 1 1 A 28 28 VAL CB C 28 33.000 31.192 1.808 1
1 142 . 11 1 1 A 28 28 VAL N N 28 112.600 118.583 -5.983 1
1 143 . 11 1 1 A 29 29 PHE H H 29 8.020 8.410 -0.390 1
1 144 . 11 1 1 A 29 29 PHE HA H 29 3.960 4.366 -0.406 1
1 151 . 11 1 1 A 29 29 PHE CA C 29 64.500 62.748 1.752 1
1 152 . 11 1 1 A 29 29 PHE CB C 29 37.300 37.054 0.246 1
1 157 . 11 1 1 A 29 29 PHE N N 29 124.600 122.153 2.447 1
1 158 . 11 1 1 A 30 30 PRO HA H 30 4.150 4.200 -0.050 1
1 163 . 11 1 1 A 30 30 PRO C C 30 176.600 178.744 -2.144 1
1 164 . 11 1 1 A 30 30 PRO CA C 30 65.600 65.841 -0.241 1
1 165 . 11 1 1 A 30 30 PRO CB C 30 31.400 30.802 0.598 1
1 168 . 11 1 1 A 31 31 TYR H H 31 7.540 7.950 -0.410 1
1 169 . 11 1 1 A 31 31 TYR HA H 31 4.600 4.198 0.402 1
1 176 . 11 1 1 A 31 31 TYR C C 31 176.500 175.359 1.141 1
1 177 . 11 1 1 A 31 31 TYR CA C 31 58.300 61.473 -3.173 1
1 178 . 11 1 1 A 31 31 TYR CB C 31 39.400 39.166 0.234 1
1 183 . 11 1 1 A 31 31 TYR N N 31 113.500 119.281 -5.781 1
1 184 . 11 1 1 A 32 32 SER H H 32 8.210 8.082 0.128 1
1 185 . 11 1 1 A 32 32 SER HA H 32 4.770 4.558 0.212 1
1 188 . 11 1 1 A 32 32 SER CA C 32 55.700 55.515 0.185 1
1 189 . 11 1 1 A 32 32 SER CB C 32 63.200 65.360 -2.160 1
1 190 . 11 1 1 A 32 32 SER N N 32 111.700 112.899 -1.199 1
1 191 . 11 1 1 A 33 33 PRO HA H 33 4.250 3.914 0.336 1
1 195 . 11 1 1 A 33 33 PRO C C 33 179.000 178.811 0.189 1
1 196 . 11 1 1 A 33 33 PRO CA C 33 65.400 65.156 0.244 1
1 197 . 11 1 1 A 33 33 PRO CB C 33 33.000 31.540 1.460 1
1 200 . 11 1 1 A 34 34 GLU H H 34 8.390 8.170 0.220 1
1 201 . 11 1 1 A 34 34 GLU HA H 34 4.130 4.105 0.025 1
1 204 . 11 1 1 A 34 34 GLU C C 34 178.700 179.557 -0.857 1
1 205 . 11 1 1 A 34 34 GLU CA C 34 59.900 59.349 0.551 1
1 206 . 11 1 1 A 34 34 GLU CB C 34 30.000 29.281 0.719 1
1 208 . 11 1 1 A 34 34 GLU N N 34 118.500 117.766 0.734 1
1 209 . 11 1 1 A 35 35 LEU H H 35 7.970 8.331 -0.361 1
1 210 . 11 1 1 A 35 35 LEU HA H 35 4.070 4.069 0.001 1
1 217 . 11 1 1 A 35 35 LEU CA C 35 57.400 58.039 -0.639 1
1 218 . 11 1 1 A 35 35 LEU CB C 35 42.200 41.598 0.602 1
1 221 . 11 1 1 A 35 35 LEU N N 35 122.000 120.480 1.520 1
1 222 . 11 1 1 A 36 36 ALA H H 36 7.860 8.058 -0.198 1
1 223 . 11 1 1 A 36 36 ALA HA H 36 4.040 4.081 -0.041 1
1 227 . 11 1 1 A 36 36 ALA C C 36 178.600 179.228 -0.628 1
1 228 . 11 1 1 A 36 36 ALA CA C 36 56.400 55.463 0.937 1
1 229 . 11 1 1 A 36 36 ALA CB C 36 19.500 18.394 1.106 1
1 230 . 11 1 1 A 36 36 ALA N N 36 121.000 121.803 -0.803 1
1 231 . 11 1 1 A 37 37 LYS H H 37 7.910 7.941 -0.031 1
1 232 . 11 1 1 A 37 37 LYS HA H 37 4.300 4.091 0.209 1
1 237 . 11 1 1 A 37 37 LYS C C 37 177.800 178.816 -1.016 1
1 238 . 11 1 1 A 37 37 LYS CA C 37 59.700 59.852 -0.152 1
1 239 . 11 1 1 A 37 37 LYS CB C 37 32.400 32.725 -0.325 1
1 243 . 11 1 1 A 37 37 LYS N N 37 117.700 118.310 -0.610 1
1 244 . 11 1 1 A 38 38 ARG H H 38 7.640 7.577 0.063 1
1 245 . 11 1 1 A 38 38 ARG HA H 38 4.090 4.082 0.008 1
1 251 . 11 1 1 A 38 38 ARG C C 38 179.600 178.979 0.621 1
1 252 . 11 1 1 A 38 38 ARG CA C 38 59.300 59.736 -0.436 1
1 253 . 11 1 1 A 38 38 ARG CB C 38 30.000 29.872 0.128 1
1 256 . 11 1 1 A 38 38 ARG N N 38 118.200 118.319 -0.119 1
1 257 . 11 1 1 A 39 39 TYR H H 39 7.860 8.464 -0.604 1
1 258 . 11 1 1 A 39 39 TYR HA H 39 4.290 4.397 -0.107 1
1 264 . 11 1 1 A 39 39 TYR C C 39 177.800 178.490 -0.690 1
1 265 . 11 1 1 A 39 39 TYR CA C 39 62.500 60.622 1.878 1
1 266 . 11 1 1 A 39 39 TYR CB C 39 38.300 37.875 0.425 1
1 271 . 11 1 1 A 39 39 TYR N N 39 119.200 119.771 -0.571 1
1 272 . 11 1 1 A 40 40 VAL H H 40 7.960 9.159 -1.199 1
1 273 . 11 1 1 A 40 40 VAL HA H 40 2.750 3.578 -0.828 1
1 281 . 11 1 1 A 40 40 VAL C C 40 177.800 178.136 -0.336 1
1 282 . 11 1 1 A 40 40 VAL CA C 40 67.300 66.533 0.767 1
1 283 . 11 1 1 A 40 40 VAL CB C 40 31.400 31.397 0.003 1
1 286 . 11 1 1 A 40 40 VAL N N 40 120.800 119.933 0.867 1
1 287 . 11 1 1 A 41 41 GLU H H 41 8.660 8.146 0.514 1
1 288 . 11 1 1 A 41 41 GLU HA H 41 3.680 3.935 -0.255 1
1 291 . 11 1 1 A 41 41 GLU C C 41 179.900 178.521 1.379 1
1 292 . 11 1 1 A 41 41 GLU CA C 41 60.500 58.860 1.640 1
1 293 . 11 1 1 A 41 41 GLU CB C 41 29.400 29.263 0.137 1
1 295 . 11 1 1 A 41 41 GLU N N 41 117.000 120.429 -3.429 1
1 296 . 11 1 1 A 42 42 LEU H H 42 7.960 7.795 0.165 1
1 297 . 11 1 1 A 42 42 LEU HA H 42 4.130 4.056 0.074 1
1 306 . 11 1 1 A 42 42 LEU C C 42 178.300 178.224 0.076 1
1 307 . 11 1 1 A 42 42 LEU CA C 42 58.000 57.756 0.244 1
1 308 . 11 1 1 A 42 42 LEU CB C 42 42.300 41.271 1.029 1
1 312 . 11 1 1 A 42 42 LEU N N 42 120.300 121.247 -0.947 1
1 313 . 11 1 1 A 43 43 ALA H H 43 8.040 7.872 0.168 1
1 314 . 11 1 1 A 43 43 ALA HA H 43 3.740 3.880 -0.140 1
1 318 . 11 1 1 A 43 43 ALA C C 43 179.400 179.947 -0.547 1
1 319 . 11 1 1 A 43 43 ALA CA C 43 55.700 55.201 0.499 1
1 320 . 11 1 1 A 43 43 ALA CB C 43 18.500 18.270 0.230 1
1 321 . 11 1 1 A 43 43 ALA N N 43 123.600 120.909 2.691 1
1 322 . 11 1 1 A 44 44 LEU H H 44 8.340 7.843 0.497 1
1 323 . 11 1 1 A 44 44 LEU HA H 44 4.070 3.744 0.326 1
1 333 . 11 1 1 A 44 44 LEU C C 44 180.000 179.310 0.690 1
1 334 . 11 1 1 A 44 44 LEU CA C 44 57.500 57.583 -0.083 1
1 335 . 11 1 1 A 44 44 LEU CB C 44 40.800 41.576 -0.776 1
1 339 . 11 1 1 A 44 44 LEU N N 44 116.800 118.303 -1.503 1
1 340 . 11 1 1 A 45 45 LEU H H 45 7.860 8.023 -0.163 1
1 341 . 11 1 1 A 45 45 LEU HA H 45 4.170 3.956 0.214 1
1 351 . 11 1 1 A 45 45 LEU C C 45 179.600 178.744 0.856 1
1 352 . 11 1 1 A 45 45 LEU CA C 45 58.400 58.005 0.395 1
1 353 . 11 1 1 A 45 45 LEU CB C 45 42.200 41.846 0.354 1
1 357 . 11 1 1 A 45 45 LEU N N 45 122.600 118.812 3.788 1
1 358 . 11 1 1 A 46 46 VAL H H 46 8.070 8.142 -0.072 1
1 359 . 11 1 1 A 46 46 VAL HA H 46 3.610 3.453 0.157 1
1 367 . 11 1 1 A 46 46 VAL CA C 46 66.800 66.601 0.199 1
1 368 . 11 1 1 A 46 46 VAL CB C 46 31.600 31.109 0.491 1
1 370 . 11 1 1 A 46 46 VAL N N 46 120.100 119.002 1.098 1
1 371 . 11 1 1 A 47 47 GLN H H 47 8.360 8.072 0.288 1
1 372 . 11 1 1 A 47 47 GLN HA H 47 3.860 3.961 -0.101 1
1 378 . 11 1 1 A 47 47 GLN C C 47 178.000 178.109 -0.109 1
1 379 . 11 1 1 A 47 47 GLN CA C 47 60.200 59.275 0.925 1
1 380 . 11 1 1 A 47 47 GLN CB C 47 27.800 28.223 -0.423 1
1 382 . 11 1 1 A 47 47 GLN N N 47 120.000 119.439 0.561 1
1 384 . 11 1 1 A 48 48 GLN H H 48 8.110 8.005 0.105 1
1 385 . 11 1 1 A 48 48 GLN HA H 48 4.080 4.030 0.050 1
1 392 . 11 1 1 A 48 48 GLN C C 48 178.500 178.230 0.270 1
1 393 . 11 1 1 A 48 48 GLN CA C 48 58.900 58.743 0.157 1
1 394 . 11 1 1 A 48 48 GLN CB C 48 29.400 28.315 1.085 1
1 396 . 11 1 1 A 48 48 GLN N N 48 117.600 117.346 0.254 1
1 398 . 11 1 1 A 49 49 LYS H H 49 8.110 7.818 0.292 1
1 399 . 11 1 1 A 49 49 LYS HA H 49 4.190 4.003 0.187 1
1 405 . 11 1 1 A 49 49 LYS C C 49 177.800 179.188 -1.388 1
1 406 . 11 1 1 A 49 49 LYS CA C 49 58.600 59.238 -0.638 1
1 407 . 11 1 1 A 49 49 LYS CB C 49 33.000 32.122 0.878 1
1 411 . 11 1 1 A 49 49 LYS N N 49 118.100 119.506 -1.406 1
1 412 . 11 1 1 A 50 50 ALA H H 50 8.240 8.040 0.200 1
1 413 . 11 1 1 A 50 50 ALA HA H 50 4.460 4.310 0.150 1
1 417 . 11 1 1 A 50 50 ALA C C 50 176.700 177.245 -0.545 1
1 418 . 11 1 1 A 50 50 ALA CA C 50 52.700 52.539 0.161 1
1 419 . 11 1 1 A 50 50 ALA CB C 50 21.100 19.413 1.687 1
1 420 . 11 1 1 A 50 50 ALA N N 50 119.000 118.988 0.012 1
1 421 . 11 1 1 A 51 51 LYS H H 51 8.000 7.940 0.060 1
1 422 . 11 1 1 A 51 51 LYS HA H 51 4.030 3.948 0.082 1
1 429 . 11 1 1 A 51 51 LYS C C 51 175.800 175.285 0.515 1
1 430 . 11 1 1 A 51 51 LYS CA C 51 57.500 57.193 0.307 1
1 431 . 11 1 1 A 51 51 LYS CB C 51 29.500 30.998 -1.498 1
1 435 . 11 1 1 A 51 51 LYS N N 51 114.500 117.759 -3.259 1
1 436 . 11 1 1 A 52 52 VAL H H 52 7.000 7.368 -0.368 1
1 437 . 11 1 1 A 52 52 VAL HA H 52 4.570 4.778 -0.208 1
1 445 . 11 1 1 A 52 52 VAL C C 52 175.000 174.556 0.444 1
1 446 . 11 1 1 A 52 52 VAL CA C 52 59.600 60.116 -0.516 1
1 447 . 11 1 1 A 52 52 VAL CB C 52 34.900 34.538 0.362 1
1 450 . 11 1 1 A 52 52 VAL N N 52 111.600 113.879 -2.279 1
1 451 . 11 1 1 A 53 53 LYS H H 53 8.150 8.813 -0.663 1
1 452 . 11 1 1 A 53 53 LYS HA H 53 4.510 4.910 -0.400 1
1 454 . 11 1 1 A 53 53 LYS C C 53 176.800 176.101 0.699 1
1 455 . 11 1 1 A 53 53 LYS CA C 53 55.700 55.328 0.372 1
1 456 . 11 1 1 A 53 53 LYS CB C 53 34.000 34.887 -0.887 1
1 457 . 11 1 1 A 53 53 LYS N N 53 120.800 124.309 -3.509 1
1 458 . 11 1 1 A 54 54 ILE H H 54 8.370 8.577 -0.207 1
1 459 . 11 1 1 A 54 54 ILE HA H 54 4.530 4.765 -0.235 1
1 469 . 11 1 1 A 54 54 ILE CA C 54 58.700 57.888 0.812 1
1 470 . 11 1 1 A 54 54 ILE CB C 54 38.400 40.026 -1.626 1
1 474 . 11 1 1 A 54 54 ILE N N 54 122.500 119.562 2.938 1
1 475 . 11 1 1 A 57 57 LYS HA H 57 3.780 4.050 -0.270 1
1 484 . 11 1 1 A 57 57 LYS C C 57 176.300 178.139 -1.839 1
1 485 . 11 1 1 A 57 57 LYS CA C 57 59.000 59.031 -0.031 1
1 486 . 11 1 1 A 57 57 LYS CB C 57 32.300 32.138 0.162 1
1 490 . 11 1 1 A 58 58 TRP H H 58 7.250 7.736 -0.486 1
1 491 . 11 1 1 A 58 58 TRP HA H 58 4.850 4.670 0.180 1
1 500 . 11 1 1 A 58 58 TRP C C 58 176.800 177.562 -0.762 1
1 501 . 11 1 1 A 58 58 TRP CA C 58 55.400 58.340 -2.940 1
1 502 . 11 1 1 A 58 58 TRP CB C 58 31.300 31.018 0.282 1
1 508 . 11 1 1 A 58 58 TRP N N 58 116.300 116.845 -0.545 1
1 510 . 11 1 1 A 59 59 LYS H H 59 7.310 8.586 -1.276 1
1 511 . 11 1 1 A 59 59 LYS HA H 59 3.960 3.640 0.320 1
1 517 . 11 1 1 A 59 59 LYS CA C 59 60.600 59.214 1.386 1
1 518 . 11 1 1 A 59 59 LYS CB C 59 33.500 31.878 1.622 1
1 522 . 11 1 1 A 59 59 LYS N N 59 118.600 120.000 -1.400 1
1 523 . 11 1 1 A 60 60 ARG HA H 60 4.540 4.378 0.162 1
1 528 . 11 1 1 A 60 60 ARG C C 60 177.200 177.113 0.087 1
1 529 . 11 1 1 A 60 60 ARG CA C 60 55.400 56.873 -1.473 1
1 530 . 11 1 1 A 60 60 ARG CB C 60 30.400 30.284 0.116 1
1 533 . 11 1 1 A 61 61 ARG H H 61 7.620 7.958 -0.338 1
1 534 . 11 1 1 A 61 61 ARG HA H 61 4.250 4.485 -0.235 1
1 537 . 11 1 1 A 61 61 ARG C C 61 172.300 175.644 -3.344 1
1 538 . 11 1 1 A 61 61 ARG CA C 61 54.400 56.235 -1.835 1
1 539 . 11 1 1 A 61 61 ARG CB C 61 27.900 30.687 -2.787 1
1 541 . 11 1 1 A 61 61 ARG N N 61 116.000 118.854 -2.854 1
1 542 . 11 1 1 A 62 62 TYR H H 62 6.980 7.844 -0.864 1
1 543 . 11 1 1 A 62 62 TYR HA H 62 5.860 5.797 0.063 1
1 550 . 11 1 1 A 62 62 TYR C C 62 173.100 172.666 0.434 1
1 551 . 11 1 1 A 62 62 TYR CA C 62 55.000 55.941 -0.941 1
1 552 . 11 1 1 A 62 62 TYR CB C 62 43.000 41.513 1.487 1
1 557 . 11 1 1 A 62 62 TYR N N 62 112.300 117.204 -4.904 1
1 558 . 11 1 1 A 63 63 CYS H H 63 9.220 8.633 0.587 1
1 559 . 11 1 1 A 63 63 CYS HA H 63 4.280 4.430 -0.150 1
1 562 . 11 1 1 A 63 63 CYS C C 63 178.000 175.281 2.719 1
1 563 . 11 1 1 A 63 63 CYS CA C 63 59.900 57.961 1.939 1
1 564 . 11 1 1 A 63 63 CYS CB C 63 32.300 29.233 3.067 1
1 565 . 11 1 1 A 63 63 CYS N N 63 124.100 120.676 3.424 1
1 566 . 11 1 1 A 64 64 LYS H H 64 7.820 8.459 -0.639 1
1 567 . 11 1 1 A 64 64 LYS HA H 64 4.240 3.450 0.790 1
1 571 . 11 1 1 A 64 64 LYS C C 64 175.400 177.418 -2.018 1
1 572 . 11 1 1 A 64 64 LYS CA C 64 59.500 59.592 -0.092 1
1 573 . 11 1 1 A 64 64 LYS CB C 64 33.600 31.973 1.627 1
1 577 . 11 1 1 A 64 64 LYS N N 64 129.300 127.284 2.016 1
1 578 . 11 1 1 A 65 65 LYS H H 65 9.270 7.841 1.429 1
1 579 . 11 1 1 A 65 65 LYS HA H 65 4.250 4.064 0.186 1
1 586 . 11 1 1 A 65 65 LYS C C 65 176.300 178.802 -2.502 1
1 587 . 11 1 1 A 65 65 LYS CA C 65 58.500 58.890 -0.390 1
1 588 . 11 1 1 A 65 65 LYS CB C 65 33.700 32.648 1.052 1
1 592 . 11 1 1 A 65 65 LYS N N 65 122.500 118.127 4.373 1
1 593 . 11 1 1 A 66 66 CYS H H 66 9.190 7.860 1.330 1
1 594 . 11 1 1 A 66 66 CYS HA H 66 4.560 4.541 0.019 1
1 597 . 11 1 1 A 66 66 CYS C C 66 176.200 175.054 1.146 1
1 598 . 11 1 1 A 66 66 CYS CA C 66 59.700 62.418 -2.718 1
1 599 . 11 1 1 A 66 66 CYS CB C 66 32.200 28.065 4.135 1
1 600 . 11 1 1 A 66 66 CYS N N 66 121.200 117.442 3.758 1
1 601 . 11 1 1 A 67 67 HIS H H 67 7.700 7.956 -0.256 1
1 602 . 11 1 1 A 67 67 HIS HA H 67 4.850 4.400 0.450 1
1 604 . 11 1 1 A 67 67 HIS C C 67 171.000 173.853 -2.853 1
1 605 . 11 1 1 A 67 67 HIS CA C 67 56.200 57.070 -0.870 1
1 606 . 11 1 1 A 67 67 HIS CB C 67 26.800 26.739 0.061 1
1 607 . 11 1 1 A 67 67 HIS N N 67 114.200 115.967 -1.767 1
1 608 . 11 1 1 A 68 68 ALA H H 68 8.720 7.710 1.010 1
1 609 . 11 1 1 A 68 68 ALA HA H 68 4.230 5.189 -0.959 1
1 613 . 11 1 1 A 68 68 ALA C C 68 177.800 176.150 1.650 1
1 614 . 11 1 1 A 68 68 ALA CA C 68 53.800 50.438 3.362 1
1 615 . 11 1 1 A 68 68 ALA CB C 68 19.800 23.130 -3.330 1
1 616 . 11 1 1 A 68 68 ALA N N 68 119.600 119.570 0.030 1
1 617 . 11 1 1 A 69 69 PHE H H 69 8.500 8.816 -0.316 1
1 618 . 11 1 1 A 69 69 PHE HA H 69 4.590 5.015 -0.425 1
1 626 . 11 1 1 A 69 69 PHE C C 69 174.200 173.892 0.308 1
1 627 . 11 1 1 A 69 69 PHE CA C 69 58.300 58.833 -0.533 1
1 628 . 11 1 1 A 69 69 PHE CB C 69 40.900 38.593 2.307 1
1 634 . 11 1 1 A 69 69 PHE N N 69 122.200 121.788 0.412 1
1 635 . 11 1 1 A 70 70 LEU H H 70 7.550 9.875 -2.325 1
1 636 . 11 1 1 A 70 70 LEU HA H 70 4.540 4.884 -0.344 1
1 645 . 11 1 1 A 70 70 LEU C C 70 176.000 175.105 0.895 1
1 646 . 11 1 1 A 70 70 LEU CA C 70 53.700 53.866 -0.166 1
1 647 . 11 1 1 A 70 70 LEU CB C 70 43.600 43.146 0.454 1
1 651 . 11 1 1 A 70 70 LEU N N 70 124.700 129.709 -5.009 1
1 652 . 11 1 1 A 71 71 VAL H H 71 9.700 7.749 1.951 1
1 653 . 11 1 1 A 71 71 VAL HA H 71 4.140 4.368 -0.228 1
1 661 . 11 1 1 A 71 71 VAL CA C 71 59.600 58.929 0.671 1
1 662 . 11 1 1 A 71 71 VAL CB C 71 34.000 35.014 -1.014 1
1 665 . 11 1 1 A 71 71 VAL N N 71 125.800 125.890 -0.090 1
1 666 . 11 1 1 A 72 72 PRO HA H 72 4.170 4.267 -0.097 1
1 673 . 11 1 1 A 72 72 PRO C C 72 176.200 177.310 -1.110 1
1 674 . 11 1 1 A 72 72 PRO CA C 72 64.100 63.614 0.486 1
1 675 . 11 1 1 A 72 72 PRO CB C 72 32.200 31.573 0.627 1
1 678 . 11 1 1 A 73 73 GLY H H 73 8.500 9.542 -1.042 1
1 679 . 11 1 1 A 73 73 GLY HA2 H 73 3.860 3.849 0.011 1
1 680 . 11 1 1 A 73 73 GLY HA3 H 73 4.550 3.853 0.697 1
1 681 . 11 1 1 A 73 73 GLY CA C 73 45.700 45.352 0.348 1
1 682 . 11 1 1 A 73 73 GLY N N 73 112.200 111.145 1.055 1
1 683 . 11 1 1 A 74 74 ILE H H 74 8.360 7.433 0.927 1
1 684 . 11 1 1 A 74 74 ILE HA H 74 4.580 4.269 0.311 1
1 694 . 11 1 1 A 74 74 ILE C C 74 175.700 177.407 -1.707 1
1 695 . 11 1 1 A 74 74 ILE CA C 74 62.700 62.897 -0.197 1
1 696 . 11 1 1 A 74 74 ILE CB C 74 38.400 39.030 -0.630 1
1 700 . 11 1 1 A 74 74 ILE N N 74 120.200 119.961 0.239 1
1 701 . 11 1 1 A 75 75 ASN H H 75 8.470 8.305 0.165 1
1 702 . 11 1 1 A 75 75 ASN HA H 75 4.970 4.689 0.281 1
1 706 . 11 1 1 A 75 75 ASN C C 75 172.900 174.593 -1.693 1
1 707 . 11 1 1 A 75 75 ASN CA C 75 52.600 52.647 -0.047 1
1 708 . 11 1 1 A 75 75 ASN CB C 75 38.600 38.233 0.367 1
1 709 . 11 1 1 A 75 75 ASN N N 75 116.400 115.465 0.935 1
1 711 . 11 1 1 A 76 76 ALA H H 76 7.250 7.662 -0.412 1
1 712 . 11 1 1 A 76 76 ALA HA H 76 5.510 5.202 0.308 1
1 716 . 11 1 1 A 76 76 ALA C C 76 176.200 174.972 1.228 1
1 717 . 11 1 1 A 76 76 ALA CA C 76 50.400 51.489 -1.089 1
1 718 . 11 1 1 A 76 76 ALA CB C 76 23.200 22.989 0.211 1
1 719 . 11 1 1 A 76 76 ALA N N 76 117.400 119.783 -2.383 1
1 720 . 11 1 1 A 77 77 ARG H H 77 8.850 9.164 -0.314 1
1 721 . 11 1 1 A 77 77 ARG HA H 77 4.950 5.125 -0.175 1
1 728 . 11 1 1 A 77 77 ARG CA C 77 54.800 54.522 0.278 1
1 729 . 11 1 1 A 77 77 ARG CB C 77 33.700 34.135 -0.435 1
1 732 . 11 1 1 A 77 77 ARG N N 77 123.000 122.045 0.955 1
1 733 . 11 1 1 A 78 78 VAL H H 78 8.920 9.009 -0.089 1
1 734 . 11 1 1 A 78 78 VAL HA H 78 4.730 5.332 -0.602 1
1 742 . 11 1 1 A 78 78 VAL CA C 78 61.400 59.581 1.819 1
1 743 . 11 1 1 A 78 78 VAL CB C 78 34.400 34.567 -0.167 1
1 746 . 11 1 1 A 78 78 VAL N N 78 127.400 124.822 2.578 1
1 747 . 11 1 1 A 79 79 ARG H H 79 9.000 8.679 0.321 1
1 748 . 11 1 1 A 79 79 ARG HA H 79 4.750 4.827 -0.077 1
1 754 . 11 1 1 A 79 79 ARG CA C 79 54.400 55.241 -0.841 1
1 755 . 11 1 1 A 79 79 ARG CB C 79 34.300 32.280 2.020 1
1 758 . 11 1 1 A 79 79 ARG N N 79 126.400 127.931 -1.531 1
1 759 . 11 1 1 A 80 80 LEU H H 80 8.480 9.251 -0.771 1
1 760 . 11 1 1 A 80 80 LEU HA H 80 4.690 5.026 -0.336 1
1 770 . 11 1 1 A 80 80 LEU CA C 80 54.600 53.704 0.896 1
1 771 . 11 1 1 A 80 80 LEU CB C 80 43.500 42.758 0.742 1
1 775 . 11 1 1 A 80 80 LEU N N 80 124.700 125.000 -0.300 1
1 776 . 11 1 1 A 81 81 ARG H H 81 8.800 9.047 -0.247 1
1 777 . 11 1 1 A 81 81 ARG HA H 81 4.540 4.941 -0.401 1
1 781 . 11 1 1 A 81 81 ARG CA C 81 54.600 54.515 0.085 1
1 782 . 11 1 1 A 81 81 ARG CB C 81 31.600 33.028 -1.428 1
1 785 . 11 1 1 A 81 81 ARG N N 81 126.100 124.443 1.657 1
1 786 . 11 1 1 A 86 86 PRO HA H 86 4.700 4.874 -0.174 1
1 792 . 11 1 1 A 86 86 PRO C C 86 176.400 175.425 0.975 1
1 793 . 11 1 1 A 86 86 PRO CA C 86 64.000 62.823 1.177 1
1 794 . 11 1 1 A 86 86 PRO CB C 86 32.600 32.654 -0.054 1
1 796 . 11 1 1 A 87 87 HIS H H 87 8.560 8.724 -0.164 1
1 797 . 11 1 1 A 87 87 HIS HA H 87 5.140 5.098 0.042 1
1 800 . 11 1 1 A 87 87 HIS C C 87 172.600 173.228 -0.628 1
1 801 . 11 1 1 A 87 87 HIS CA C 87 56.000 55.805 0.195 1
1 802 . 11 1 1 A 87 87 HIS CB C 87 32.400 33.495 -1.095 1
1 803 . 11 1 1 A 87 87 HIS N N 87 118.700 122.466 -3.766 1
1 804 . 11 1 1 A 88 88 ILE H H 88 9.250 8.228 1.022 1
1 805 . 11 1 1 A 88 88 ILE HA H 88 4.710 5.077 -0.367 1
1 815 . 11 1 1 A 88 88 ILE CA C 88 60.200 58.921 1.279 1
1 816 . 11 1 1 A 88 88 ILE CB C 88 40.600 41.603 -1.003 1
1 820 . 11 1 1 A 88 88 ILE N N 88 120.600 122.084 -1.484 1
1 821 . 11 1 1 A 89 89 VAL H H 89 9.050 8.835 0.215 1
1 822 . 11 1 1 A 89 89 VAL HA H 89 4.800 5.151 -0.351 1
1 830 . 11 1 1 A 89 89 VAL C C 89 175.000 174.636 0.364 1
1 831 . 11 1 1 A 89 89 VAL CA C 89 61.400 60.077 1.323 1
1 832 . 11 1 1 A 89 89 VAL CB C 89 34.400 34.351 0.049 1
1 835 . 11 1 1 A 90 90 VAL H H 90 9.340 9.497 -0.157 1
1 836 . 11 1 1 A 90 90 VAL HA H 90 5.160 5.175 -0.015 1
1 844 . 11 1 1 A 90 90 VAL C C 90 173.600 175.204 -1.604 1
1 845 . 11 1 1 A 90 90 VAL CA C 90 61.400 60.760 0.640 1
1 846 . 11 1 1 A 90 90 VAL CB C 90 34.100 34.343 -0.243 1
1 849 . 11 1 1 A 90 90 VAL N N 90 128.000 125.442 2.558 1
1 850 . 11 1 1 A 91 91 LYS H H 91 9.030 9.021 0.009 1
1 851 . 11 1 1 A 91 91 LYS HA H 91 5.160 5.296 -0.136 1
1 858 . 11 1 1 A 91 91 LYS C C 91 175.300 174.612 0.688 1
1 859 . 11 1 1 A 91 91 LYS CA C 91 54.100 54.620 -0.520 1
1 860 . 11 1 1 A 91 91 LYS CB C 91 36.600 35.452 1.148 1
1 864 . 11 1 1 A 91 91 LYS N N 91 128.100 124.544 3.556 1
1 865 . 11 1 1 A 92 92 CYS H H 92 9.050 8.572 0.478 1
1 866 . 11 1 1 A 92 92 CYS HA H 92 4.950 5.083 -0.133 1
1 869 . 11 1 1 A 92 92 CYS C C 92 177.300 175.795 1.505 1
1 870 . 11 1 1 A 92 92 CYS CA C 92 59.600 56.970 2.630 1
1 871 . 11 1 1 A 92 92 CYS CB C 92 32.600 30.493 2.107 1
1 872 . 11 1 1 A 92 92 CYS N N 92 129.900 122.288 7.612 1
1 873 . 11 1 1 A 93 93 LEU H H 93 8.910 9.809 -0.899 1
1 874 . 11 1 1 A 93 93 LEU HA H 93 4.480 3.919 0.561 1
1 884 . 11 1 1 A 93 93 LEU C C 93 178.100 178.374 -0.274 1
1 885 . 11 1 1 A 93 93 LEU CA C 93 55.300 58.214 -2.914 1
1 886 . 11 1 1 A 93 93 LEU CB C 93 40.500 41.446 -0.946 1
1 890 . 11 1 1 A 93 93 LEU N N 93 127.300 129.709 -2.409 1
1 891 . 11 1 1 A 94 94 GLU H H 94 9.460 8.317 1.143 1
1 892 . 11 1 1 A 94 94 GLU HA H 94 4.420 3.978 0.442 1
1 897 . 11 1 1 A 94 94 GLU C C 94 178.400 179.093 -0.693 1
1 898 . 11 1 1 A 94 94 GLU CA C 94 59.700 59.598 0.102 1
1 899 . 11 1 1 A 94 94 GLU CB C 94 29.900 29.246 0.654 1
1 901 . 11 1 1 A 94 94 GLU N N 94 122.900 118.354 4.546 1
1 902 . 11 1 1 A 95 95 CYS H H 95 9.110 7.536 1.574 1
1 903 . 11 1 1 A 95 95 CYS HA H 95 5.140 4.445 0.695 1
1 906 . 11 1 1 A 95 95 CYS C C 95 176.900 175.603 1.297 1
1 907 . 11 1 1 A 95 95 CYS CA C 95 58.900 59.992 -1.092 1
1 908 . 11 1 1 A 95 95 CYS CB C 95 33.600 28.841 4.759 1
1 909 . 11 1 1 A 95 95 CYS N N 95 119.200 115.247 3.953 1
1 910 . 11 1 1 A 96 96 GLY H H 96 8.000 8.490 -0.490 1
1 911 . 11 1 1 A 96 96 GLY HA2 H 96 3.850 3.610 0.240 1
1 912 . 11 1 1 A 96 96 GLY C C 96 174.100 173.484 0.616 1
1 913 . 11 1 1 A 96 96 GLY CA C 96 46.500 45.566 0.934 1
1 914 . 11 1 1 A 96 96 GLY N N 96 115.300 110.732 4.568 1
1 915 . 11 1 1 A 97 97 HIS H H 97 9.310 7.248 2.062 1
1 916 . 11 1 1 A 97 97 HIS HA H 97 4.500 4.998 -0.498 1
1 919 . 11 1 1 A 97 97 HIS C C 97 173.200 173.150 0.050 1
1 920 . 11 1 1 A 97 97 HIS CA C 97 58.600 54.910 3.690 1
1 921 . 11 1 1 A 97 97 HIS CB C 97 33.000 33.297 -0.297 1
1 922 . 11 1 1 A 97 97 HIS N N 97 125.300 117.212 8.088 1
1 923 . 11 1 1 A 98 98 ILE H H 98 6.890 8.805 -1.915 1
1 924 . 11 1 1 A 98 98 ILE HA H 98 4.760 5.241 -0.481 1
1 934 . 11 1 1 A 98 98 ILE C C 98 175.000 174.162 0.838 1
1 935 . 11 1 1 A 98 98 ILE CA C 98 60.000 59.645 0.355 1
1 936 . 11 1 1 A 98 98 ILE CB C 98 40.200 40.787 -0.587 1
1 940 . 11 1 1 A 98 98 ILE N N 98 123.600 122.789 0.811 1
1 941 . 11 1 1 A 99 99 MET H H 99 9.050 9.798 -0.748 1
1 942 . 11 1 1 A 99 99 MET HA H 99 4.630 5.250 -0.620 1
1 950 . 11 1 1 A 99 99 MET C C 99 173.100 174.735 -1.635 1
1 951 . 11 1 1 A 99 99 MET CA C 99 54.400 54.187 0.213 1
1 952 . 11 1 1 A 99 99 MET CB C 99 37.900 36.191 1.709 1
1 955 . 11 1 1 A 99 99 MET N N 99 126.400 127.336 -0.936 1
1 956 . 11 1 1 A 100 100 ARG H H 100 7.930 8.810 -0.880 1
1 957 . 11 1 1 A 100 100 ARG HA H 100 5.370 4.906 0.464 1
1 963 . 11 1 1 A 100 100 ARG C C 100 175.200 174.710 0.490 1
1 964 . 11 1 1 A 100 100 ARG CA C 100 54.700 55.147 -0.447 1
1 965 . 11 1 1 A 100 100 ARG CB C 100 33.600 32.814 0.786 1
1 968 . 11 1 1 A 100 100 ARG N N 100 120.200 122.385 -2.185 1
1 969 . 11 1 1 A 101 101 TYR H H 101 9.110 8.984 0.126 1
1 970 . 11 1 1 A 101 101 TYR HA H 101 5.130 5.218 -0.088 1
1 977 . 11 1 1 A 101 101 TYR CA C 101 55.300 55.459 -0.159 1
1 978 . 11 1 1 A 101 101 TYR CB C 101 40.900 40.227 0.673 1
1 983 . 11 1 1 A 101 101 TYR N N 101 121.100 123.640 -2.540 1
1 1 . 12 1 1 A 18 18 ILE HA H 18 3.610 4.060 -0.450 1
1 11 . 12 1 1 A 18 18 ILE C C 18 176.800 177.638 -0.838 1
1 12 . 12 1 1 A 18 18 ILE CA C 18 66.700 62.951 3.749 1
1 13 . 12 1 1 A 18 18 ILE CB C 18 38.600 37.756 0.844 1
1 17 . 12 1 1 A 19 19 ASP H H 19 8.050 7.576 0.474 1
1 18 . 12 1 1 A 19 19 ASP HA H 19 4.580 4.563 0.017 1
1 21 . 12 1 1 A 19 19 ASP CA C 19 58.200 57.630 0.570 1
1 22 . 12 1 1 A 19 19 ASP CB C 19 42.500 40.378 2.122 1
1 23 . 12 1 1 A 19 19 ASP N N 19 119.100 121.452 -2.352 1
1 24 . 12 1 1 A 20 20 ILE H H 20 8.240 7.728 0.512 1
1 25 . 12 1 1 A 20 20 ILE HA H 20 3.730 3.706 0.024 1
1 35 . 12 1 1 A 20 20 ILE CA C 20 65.000 65.587 -0.587 1
1 36 . 12 1 1 A 20 20 ILE CB C 20 38.300 37.787 0.513 1
1 40 . 12 1 1 A 20 20 ILE N N 20 120.400 120.374 0.026 1
1 41 . 12 1 1 A 21 21 LEU H H 21 7.870 8.302 -0.432 1
1 42 . 12 1 1 A 21 21 LEU HA H 21 4.440 4.000 0.440 1
1 49 . 12 1 1 A 21 21 LEU C C 21 178.700 179.302 -0.602 1
1 50 . 12 1 1 A 21 21 LEU CA C 21 59.800 58.170 1.630 1
1 51 . 12 1 1 A 21 21 LEU CB C 21 42.200 41.962 0.238 1
1 54 . 12 1 1 A 21 21 LEU N N 21 121.100 118.702 2.398 1
1 55 . 12 1 1 A 22 22 PHE H H 22 7.820 9.102 -1.282 1
1 56 . 12 1 1 A 22 22 PHE HA H 22 3.480 4.343 -0.863 1
1 63 . 12 1 1 A 22 22 PHE C C 22 177.300 177.649 -0.349 1
1 64 . 12 1 1 A 22 22 PHE CA C 22 63.100 61.963 1.137 1
1 65 . 12 1 1 A 22 22 PHE CB C 22 36.400 39.258 -2.858 1
1 70 . 12 1 1 A 22 22 PHE N N 22 116.900 119.818 -2.918 1
1 71 . 12 1 1 A 23 23 SER H H 23 7.940 8.145 -0.205 1
1 72 . 12 1 1 A 23 23 SER HA H 23 4.520 4.198 0.322 1
1 75 . 12 1 1 A 23 23 SER C C 23 177.300 177.567 -0.267 1
1 76 . 12 1 1 A 23 23 SER CA C 23 63.500 61.585 1.915 1
1 77 . 12 1 1 A 23 23 SER CB C 23 62.900 62.984 -0.084 1
1 78 . 12 1 1 A 23 23 SER N N 23 114.400 114.563 -0.163 1
1 79 . 12 1 1 A 24 24 LEU H H 24 8.050 8.067 -0.017 1
1 80 . 12 1 1 A 24 24 LEU HA H 24 3.820 4.002 -0.182 1
1 89 . 12 1 1 A 24 24 LEU C C 24 178.200 178.881 -0.681 1
1 90 . 12 1 1 A 24 24 LEU CA C 24 58.100 57.455 0.645 1
1 91 . 12 1 1 A 24 24 LEU CB C 24 40.700 41.500 -0.800 1
1 95 . 12 1 1 A 24 24 LEU N N 24 124.700 120.888 3.812 1
1 96 . 12 1 1 A 25 25 ALA H H 25 7.590 8.867 -1.277 1
1 97 . 12 1 1 A 25 25 ALA HA H 25 3.820 3.990 -0.170 1
1 101 . 12 1 1 A 25 25 ALA C C 25 177.700 179.546 -1.846 1
1 102 . 12 1 1 A 25 25 ALA CA C 25 55.800 55.506 0.294 1
1 103 . 12 1 1 A 25 25 ALA CB C 25 18.400 18.276 0.124 1
1 104 . 12 1 1 A 25 25 ALA N N 25 122.400 122.090 0.310 1
1 105 . 12 1 1 A 26 26 GLU H H 26 7.690 8.038 -0.348 1
1 106 . 12 1 1 A 26 26 GLU HA H 26 4.270 3.808 0.462 1
1 111 . 12 1 1 A 26 26 GLU C C 26 178.600 178.594 0.006 1
1 112 . 12 1 1 A 26 26 GLU CA C 26 60.000 58.973 1.027 1
1 113 . 12 1 1 A 26 26 GLU CB C 26 31.100 29.270 1.830 1
1 115 . 12 1 1 A 26 26 GLU N N 26 116.000 119.607 -3.607 1
1 116 . 12 1 1 A 27 27 ARG H H 27 7.670 7.567 0.103 1
1 117 . 12 1 1 A 27 27 ARG HA H 27 4.190 4.101 0.089 1
1 122 . 12 1 1 A 27 27 ARG C C 27 178.400 178.195 0.205 1
1 123 . 12 1 1 A 27 27 ARG CA C 27 58.800 58.695 0.105 1
1 124 . 12 1 1 A 27 27 ARG CB C 27 30.700 29.863 0.837 1
1 127 . 12 1 1 A 27 27 ARG N N 27 116.700 120.445 -3.745 1
1 128 . 12 1 1 A 28 28 VAL H H 28 8.230 7.874 0.356 1
1 129 . 12 1 1 A 28 28 VAL HA H 28 4.530 3.853 0.677 1
1 137 . 12 1 1 A 28 28 VAL C C 28 176.500 178.090 -1.590 1
1 138 . 12 1 1 A 28 28 VAL CA C 28 62.600 65.103 -2.503 1
1 139 . 12 1 1 A 28 28 VAL CB C 28 33.000 31.446 1.554 1
1 142 . 12 1 1 A 28 28 VAL N N 28 112.600 118.617 -6.017 1
1 143 . 12 1 1 A 29 29 PHE H H 29 8.020 8.327 -0.307 1
1 144 . 12 1 1 A 29 29 PHE HA H 29 3.960 4.280 -0.320 1
1 151 . 12 1 1 A 29 29 PHE CA C 29 64.500 62.672 1.828 1
1 152 . 12 1 1 A 29 29 PHE CB C 29 37.300 36.843 0.457 1
1 157 . 12 1 1 A 29 29 PHE N N 29 124.600 122.514 2.086 1
1 158 . 12 1 1 A 30 30 PRO HA H 30 4.150 3.979 0.171 1
1 163 . 12 1 1 A 30 30 PRO C C 30 176.600 178.732 -2.132 1
1 164 . 12 1 1 A 30 30 PRO CA C 30 65.600 65.686 -0.086 1
1 165 . 12 1 1 A 30 30 PRO CB C 30 31.400 30.598 0.802 1
1 168 . 12 1 1 A 31 31 TYR H H 31 7.540 7.835 -0.295 1
1 169 . 12 1 1 A 31 31 TYR HA H 31 4.600 4.204 0.396 1
1 176 . 12 1 1 A 31 31 TYR C C 31 176.500 175.562 0.938 1
1 177 . 12 1 1 A 31 31 TYR CA C 31 58.300 61.625 -3.325 1
1 178 . 12 1 1 A 31 31 TYR CB C 31 39.400 39.205 0.195 1
1 183 . 12 1 1 A 31 31 TYR N N 31 113.500 119.232 -5.732 1
1 184 . 12 1 1 A 32 32 SER H H 32 8.210 8.126 0.084 1
1 185 . 12 1 1 A 32 32 SER HA H 32 4.770 4.614 0.156 1
1 188 . 12 1 1 A 32 32 SER CA C 32 55.700 55.795 -0.095 1
1 189 . 12 1 1 A 32 32 SER CB C 32 63.200 64.698 -1.498 1
1 190 . 12 1 1 A 32 32 SER N N 32 111.700 113.561 -1.861 1
1 191 . 12 1 1 A 33 33 PRO HA H 33 4.250 4.493 -0.243 1
1 195 . 12 1 1 A 33 33 PRO C C 33 179.000 177.892 1.108 1
1 196 . 12 1 1 A 33 33 PRO CA C 33 65.400 65.415 -0.015 1
1 197 . 12 1 1 A 33 33 PRO CB C 33 33.000 31.792 1.208 1
1 200 . 12 1 1 A 34 34 GLU H H 34 8.390 8.028 0.362 1
1 201 . 12 1 1 A 34 34 GLU HA H 34 4.130 4.140 -0.010 1
1 204 . 12 1 1 A 34 34 GLU C C 34 178.700 179.223 -0.523 1
1 205 . 12 1 1 A 34 34 GLU CA C 34 59.900 59.616 0.284 1
1 206 . 12 1 1 A 34 34 GLU CB C 34 30.000 29.459 0.541 1
1 208 . 12 1 1 A 34 34 GLU N N 34 118.500 118.338 0.162 1
1 209 . 12 1 1 A 35 35 LEU H H 35 7.970 8.422 -0.452 1
1 210 . 12 1 1 A 35 35 LEU HA H 35 4.070 4.021 0.049 1
1 217 . 12 1 1 A 35 35 LEU CA C 35 57.400 58.102 -0.702 1
1 218 . 12 1 1 A 35 35 LEU CB C 35 42.200 41.837 0.363 1
1 221 . 12 1 1 A 35 35 LEU N N 35 122.000 121.182 0.818 1
1 222 . 12 1 1 A 36 36 ALA H H 36 7.860 8.421 -0.561 1
1 223 . 12 1 1 A 36 36 ALA HA H 36 4.040 4.232 -0.192 1
1 227 . 12 1 1 A 36 36 ALA C C 36 178.600 179.084 -0.484 1
1 228 . 12 1 1 A 36 36 ALA CA C 36 56.400 55.520 0.880 1
1 229 . 12 1 1 A 36 36 ALA CB C 36 19.500 18.535 0.965 1
1 230 . 12 1 1 A 36 36 ALA N N 36 121.000 121.989 -0.989 1
1 231 . 12 1 1 A 37 37 LYS H H 37 7.910 8.131 -0.221 1
1 232 . 12 1 1 A 37 37 LYS HA H 37 4.300 3.983 0.317 1
1 237 . 12 1 1 A 37 37 LYS C C 37 177.800 178.804 -1.004 1
1 238 . 12 1 1 A 37 37 LYS CA C 37 59.700 59.805 -0.105 1
1 239 . 12 1 1 A 37 37 LYS CB C 37 32.400 32.700 -0.300 1
1 243 . 12 1 1 A 37 37 LYS N N 37 117.700 118.286 -0.586 1
1 244 . 12 1 1 A 38 38 ARG H H 38 7.640 7.608 0.032 1
1 245 . 12 1 1 A 38 38 ARG HA H 38 4.090 3.976 0.114 1
1 251 . 12 1 1 A 38 38 ARG C C 38 179.600 178.801 0.799 1
1 252 . 12 1 1 A 38 38 ARG CA C 38 59.300 59.540 -0.240 1
1 253 . 12 1 1 A 38 38 ARG CB C 38 30.000 29.655 0.345 1
1 256 . 12 1 1 A 38 38 ARG N N 38 118.200 118.486 -0.286 1
1 257 . 12 1 1 A 39 39 TYR H H 39 7.860 8.048 -0.188 1
1 258 . 12 1 1 A 39 39 TYR HA H 39 4.290 4.383 -0.093 1
1 264 . 12 1 1 A 39 39 TYR C C 39 177.800 178.451 -0.651 1
1 265 . 12 1 1 A 39 39 TYR CA C 39 62.500 60.588 1.912 1
1 266 . 12 1 1 A 39 39 TYR CB C 39 38.300 37.834 0.466 1
1 271 . 12 1 1 A 39 39 TYR N N 39 119.200 119.763 -0.563 1
1 272 . 12 1 1 A 40 40 VAL H H 40 7.960 8.855 -0.895 1
1 273 . 12 1 1 A 40 40 VAL HA H 40 2.750 3.556 -0.806 1
1 281 . 12 1 1 A 40 40 VAL C C 40 177.800 177.672 0.128 1
1 282 . 12 1 1 A 40 40 VAL CA C 40 67.300 66.485 0.815 1
1 283 . 12 1 1 A 40 40 VAL CB C 40 31.400 31.327 0.073 1
1 286 . 12 1 1 A 40 40 VAL N N 40 120.800 119.887 0.913 1
1 287 . 12 1 1 A 41 41 GLU H H 41 8.660 7.849 0.811 1
1 288 . 12 1 1 A 41 41 GLU HA H 41 3.680 3.906 -0.226 1
1 291 . 12 1 1 A 41 41 GLU C C 41 179.900 179.171 0.729 1
1 292 . 12 1 1 A 41 41 GLU CA C 41 60.500 59.303 1.197 1
1 293 . 12 1 1 A 41 41 GLU CB C 41 29.400 29.299 0.101 1
1 295 . 12 1 1 A 41 41 GLU N N 41 117.000 119.520 -2.520 1
1 296 . 12 1 1 A 42 42 LEU H H 42 7.960 7.639 0.321 1
1 297 . 12 1 1 A 42 42 LEU HA H 42 4.130 4.097 0.033 1
1 306 . 12 1 1 A 42 42 LEU C C 42 178.300 178.268 0.032 1
1 307 . 12 1 1 A 42 42 LEU CA C 42 58.000 57.794 0.206 1
1 308 . 12 1 1 A 42 42 LEU CB C 42 42.300 41.396 0.904 1
1 312 . 12 1 1 A 42 42 LEU N N 42 120.300 122.013 -1.713 1
1 313 . 12 1 1 A 43 43 ALA H H 43 8.040 8.002 0.038 1
1 314 . 12 1 1 A 43 43 ALA HA H 43 3.740 3.962 -0.222 1
1 318 . 12 1 1 A 43 43 ALA C C 43 179.400 179.982 -0.582 1
1 319 . 12 1 1 A 43 43 ALA CA C 43 55.700 55.326 0.374 1
1 320 . 12 1 1 A 43 43 ALA CB C 43 18.500 18.646 -0.146 1
1 321 . 12 1 1 A 43 43 ALA N N 43 123.600 121.063 2.537 1
1 322 . 12 1 1 A 44 44 LEU H H 44 8.340 7.941 0.399 1
1 323 . 12 1 1 A 44 44 LEU HA H 44 4.070 3.791 0.279 1
1 333 . 12 1 1 A 44 44 LEU C C 44 180.000 179.366 0.634 1
1 334 . 12 1 1 A 44 44 LEU CA C 44 57.500 57.636 -0.136 1
1 335 . 12 1 1 A 44 44 LEU CB C 44 40.800 41.636 -0.836 1
1 339 . 12 1 1 A 44 44 LEU N N 44 116.800 118.299 -1.499 1
1 340 . 12 1 1 A 45 45 LEU H H 45 7.860 8.144 -0.284 1
1 341 . 12 1 1 A 45 45 LEU HA H 45 4.170 3.967 0.203 1
1 351 . 12 1 1 A 45 45 LEU C C 45 179.600 178.775 0.825 1
1 352 . 12 1 1 A 45 45 LEU CA C 45 58.400 58.025 0.375 1
1 353 . 12 1 1 A 45 45 LEU CB C 45 42.200 41.867 0.333 1
1 357 . 12 1 1 A 45 45 LEU N N 45 122.600 118.738 3.862 1
1 358 . 12 1 1 A 46 46 VAL H H 46 8.070 8.186 -0.116 1
1 359 . 12 1 1 A 46 46 VAL HA H 46 3.610 3.475 0.135 1
1 367 . 12 1 1 A 46 46 VAL CA C 46 66.800 66.597 0.203 1
1 368 . 12 1 1 A 46 46 VAL CB C 46 31.600 31.187 0.413 1
1 370 . 12 1 1 A 46 46 VAL N N 46 120.100 119.082 1.018 1
1 371 . 12 1 1 A 47 47 GLN H H 47 8.360 8.217 0.143 1
1 372 . 12 1 1 A 47 47 GLN HA H 47 3.860 3.961 -0.101 1
1 378 . 12 1 1 A 47 47 GLN C C 47 178.000 177.985 0.015 1
1 379 . 12 1 1 A 47 47 GLN CA C 47 60.200 59.245 0.955 1
1 380 . 12 1 1 A 47 47 GLN CB C 47 27.800 28.286 -0.486 1
1 382 . 12 1 1 A 47 47 GLN N N 47 120.000 119.504 0.496 1
1 384 . 12 1 1 A 48 48 GLN H H 48 8.110 8.080 0.030 1
1 385 . 12 1 1 A 48 48 GLN HA H 48 4.080 4.017 0.063 1
1 392 . 12 1 1 A 48 48 GLN C C 48 178.500 178.199 0.301 1
1 393 . 12 1 1 A 48 48 GLN CA C 48 58.900 58.784 0.116 1
1 394 . 12 1 1 A 48 48 GLN CB C 48 29.400 28.338 1.062 1
1 396 . 12 1 1 A 48 48 GLN N N 48 117.600 117.349 0.251 1
1 398 . 12 1 1 A 49 49 LYS H H 49 8.110 7.482 0.628 1
1 399 . 12 1 1 A 49 49 LYS HA H 49 4.190 4.027 0.163 1
1 405 . 12 1 1 A 49 49 LYS C C 49 177.800 179.170 -1.370 1
1 406 . 12 1 1 A 49 49 LYS CA C 49 58.600 59.240 -0.640 1
1 407 . 12 1 1 A 49 49 LYS CB C 49 33.000 32.132 0.868 1
1 411 . 12 1 1 A 49 49 LYS N N 49 118.100 119.397 -1.297 1
1 412 . 12 1 1 A 50 50 ALA H H 50 8.240 7.812 0.428 1
1 413 . 12 1 1 A 50 50 ALA HA H 50 4.460 4.320 0.140 1
1 417 . 12 1 1 A 50 50 ALA C C 50 176.700 176.707 -0.007 1
1 418 . 12 1 1 A 50 50 ALA CA C 50 52.700 52.531 0.169 1
1 419 . 12 1 1 A 50 50 ALA CB C 50 21.100 19.382 1.718 1
1 420 . 12 1 1 A 50 50 ALA N N 50 119.000 119.004 -0.004 1
1 421 . 12 1 1 A 51 51 LYS H H 51 8.000 7.853 0.147 1
1 422 . 12 1 1 A 51 51 LYS HA H 51 4.030 3.778 0.252 1
1 429 . 12 1 1 A 51 51 LYS C C 51 175.800 174.727 1.073 1
1 430 . 12 1 1 A 51 51 LYS CA C 51 57.500 57.201 0.299 1
1 431 . 12 1 1 A 51 51 LYS CB C 51 29.500 29.810 -0.310 1
1 435 . 12 1 1 A 51 51 LYS N N 51 114.500 115.366 -0.866 1
1 436 . 12 1 1 A 52 52 VAL H H 52 7.000 7.399 -0.399 1
1 437 . 12 1 1 A 52 52 VAL HA H 52 4.570 4.826 -0.256 1
1 445 . 12 1 1 A 52 52 VAL C C 52 175.000 174.061 0.939 1
1 446 . 12 1 1 A 52 52 VAL CA C 52 59.600 60.164 -0.564 1
1 447 . 12 1 1 A 52 52 VAL CB C 52 34.900 34.512 0.388 1
1 450 . 12 1 1 A 52 52 VAL N N 52 111.600 114.179 -2.579 1
1 451 . 12 1 1 A 53 53 LYS H H 53 8.150 9.127 -0.977 1
1 452 . 12 1 1 A 53 53 LYS HA H 53 4.510 5.074 -0.564 1
1 454 . 12 1 1 A 53 53 LYS C C 53 176.800 175.370 1.430 1
1 455 . 12 1 1 A 53 53 LYS CA C 53 55.700 55.025 0.675 1
1 456 . 12 1 1 A 53 53 LYS CB C 53 34.000 34.488 -0.488 1
1 457 . 12 1 1 A 53 53 LYS N N 53 120.800 124.876 -4.076 1
1 458 . 12 1 1 A 54 54 ILE H H 54 8.370 8.554 -0.184 1
1 459 . 12 1 1 A 54 54 ILE HA H 54 4.530 4.738 -0.208 1
1 469 . 12 1 1 A 54 54 ILE CA C 54 58.700 57.814 0.886 1
1 470 . 12 1 1 A 54 54 ILE CB C 54 38.400 39.853 -1.453 1
1 474 . 12 1 1 A 54 54 ILE N N 54 122.500 123.045 -0.545 1
1 475 . 12 1 1 A 57 57 LYS HA H 57 3.780 3.765 0.015 1
1 484 . 12 1 1 A 57 57 LYS C C 57 176.300 178.001 -1.701 1
1 485 . 12 1 1 A 57 57 LYS CA C 57 59.000 58.780 0.220 1
1 486 . 12 1 1 A 57 57 LYS CB C 57 32.300 31.868 0.432 1
1 490 . 12 1 1 A 58 58 TRP H H 58 7.250 7.453 -0.203 1
1 491 . 12 1 1 A 58 58 TRP HA H 58 4.850 4.473 0.377 1
1 500 . 12 1 1 A 58 58 TRP C C 58 176.800 177.734 -0.934 1
1 501 . 12 1 1 A 58 58 TRP CA C 58 55.400 58.345 -2.945 1
1 502 . 12 1 1 A 58 58 TRP CB C 58 31.300 30.915 0.385 1
1 508 . 12 1 1 A 58 58 TRP N N 58 116.300 117.258 -0.958 1
1 510 . 12 1 1 A 59 59 LYS H H 59 7.310 8.097 -0.787 1
1 511 . 12 1 1 A 59 59 LYS HA H 59 3.960 3.327 0.633 1
1 517 . 12 1 1 A 59 59 LYS CA C 59 60.600 59.575 1.025 1
1 518 . 12 1 1 A 59 59 LYS CB C 59 33.500 32.060 1.440 1
1 522 . 12 1 1 A 59 59 LYS N N 59 118.600 121.444 -2.844 1
1 523 . 12 1 1 A 60 60 ARG HA H 60 4.540 4.320 0.220 1
1 528 . 12 1 1 A 60 60 ARG C C 60 177.200 177.379 -0.179 1
1 529 . 12 1 1 A 60 60 ARG CA C 60 55.400 56.363 -0.963 1
1 530 . 12 1 1 A 60 60 ARG CB C 60 30.400 30.357 0.043 1
1 533 . 12 1 1 A 61 61 ARG H H 61 7.620 7.317 0.303 1
1 534 . 12 1 1 A 61 61 ARG HA H 61 4.250 4.435 -0.185 1
1 537 . 12 1 1 A 61 61 ARG C C 61 172.300 174.723 -2.423 1
1 538 . 12 1 1 A 61 61 ARG CA C 61 54.400 55.361 -0.961 1
1 539 . 12 1 1 A 61 61 ARG CB C 61 27.900 30.235 -2.335 1
1 541 . 12 1 1 A 61 61 ARG N N 61 116.000 116.905 -0.905 1
1 542 . 12 1 1 A 62 62 TYR H H 62 6.980 7.704 -0.724 1
1 543 . 12 1 1 A 62 62 TYR HA H 62 5.860 5.570 0.290 1
1 550 . 12 1 1 A 62 62 TYR C C 62 173.100 172.896 0.204 1
1 551 . 12 1 1 A 62 62 TYR CA C 62 55.000 55.680 -0.680 1
1 552 . 12 1 1 A 62 62 TYR CB C 62 43.000 41.523 1.477 1
1 557 . 12 1 1 A 62 62 TYR N N 62 112.300 116.215 -3.915 1
1 558 . 12 1 1 A 63 63 CYS H H 63 9.220 8.721 0.499 1
1 559 . 12 1 1 A 63 63 CYS HA H 63 4.280 4.494 -0.214 1
1 562 . 12 1 1 A 63 63 CYS C C 63 178.000 175.478 2.522 1
1 563 . 12 1 1 A 63 63 CYS CA C 63 59.900 59.467 0.433 1
1 564 . 12 1 1 A 63 63 CYS CB C 63 32.300 28.391 3.909 1
1 565 . 12 1 1 A 63 63 CYS N N 63 124.100 120.575 3.525 1
1 566 . 12 1 1 A 64 64 LYS H H 64 7.820 8.671 -0.851 1
1 567 . 12 1 1 A 64 64 LYS HA H 64 4.240 3.689 0.551 1
1 571 . 12 1 1 A 64 64 LYS C C 64 175.400 177.305 -1.905 1
1 572 . 12 1 1 A 64 64 LYS CA C 64 59.500 59.715 -0.215 1
1 573 . 12 1 1 A 64 64 LYS CB C 64 33.600 32.071 1.529 1
1 577 . 12 1 1 A 64 64 LYS N N 64 129.300 127.358 1.942 1
1 578 . 12 1 1 A 65 65 LYS H H 65 9.270 7.705 1.565 1
1 579 . 12 1 1 A 65 65 LYS HA H 65 4.250 3.892 0.358 1
1 586 . 12 1 1 A 65 65 LYS C C 65 176.300 178.597 -2.297 1
1 587 . 12 1 1 A 65 65 LYS CA C 65 58.500 58.728 -0.228 1
1 588 . 12 1 1 A 65 65 LYS CB C 65 33.700 32.579 1.121 1
1 592 . 12 1 1 A 65 65 LYS N N 65 122.500 118.081 4.419 1
1 593 . 12 1 1 A 66 66 CYS H H 66 9.190 7.685 1.505 1
1 594 . 12 1 1 A 66 66 CYS HA H 66 4.560 4.437 0.123 1
1 597 . 12 1 1 A 66 66 CYS C C 66 176.200 174.860 1.340 1
1 598 . 12 1 1 A 66 66 CYS CA C 66 59.700 62.585 -2.885 1
1 599 . 12 1 1 A 66 66 CYS CB C 66 32.200 27.962 4.238 1
1 600 . 12 1 1 A 66 66 CYS N N 66 121.200 117.581 3.619 1
1 601 . 12 1 1 A 67 67 HIS H H 67 7.700 7.657 0.043 1
1 602 . 12 1 1 A 67 67 HIS HA H 67 4.850 4.045 0.805 1
1 604 . 12 1 1 A 67 67 HIS C C 67 171.000 174.469 -3.469 1
1 605 . 12 1 1 A 67 67 HIS CA C 67 56.200 57.163 -0.963 1
1 606 . 12 1 1 A 67 67 HIS CB C 67 26.800 26.832 -0.032 1
1 607 . 12 1 1 A 67 67 HIS N N 67 114.200 115.694 -1.494 1
1 608 . 12 1 1 A 68 68 ALA H H 68 8.720 7.784 0.936 1
1 609 . 12 1 1 A 68 68 ALA HA H 68 4.230 4.411 -0.181 1
1 613 . 12 1 1 A 68 68 ALA C C 68 177.800 176.873 0.927 1
1 614 . 12 1 1 A 68 68 ALA CA C 68 53.800 52.448 1.352 1
1 615 . 12 1 1 A 68 68 ALA CB C 68 19.800 19.937 -0.137 1
1 616 . 12 1 1 A 68 68 ALA N N 68 119.600 122.286 -2.686 1
1 617 . 12 1 1 A 69 69 PHE H H 69 8.500 8.585 -0.085 1
1 618 . 12 1 1 A 69 69 PHE HA H 69 4.590 5.014 -0.424 1
1 626 . 12 1 1 A 69 69 PHE C C 69 174.200 174.495 -0.295 1
1 627 . 12 1 1 A 69 69 PHE CA C 69 58.300 59.367 -1.067 1
1 628 . 12 1 1 A 69 69 PHE CB C 69 40.900 38.834 2.066 1
1 634 . 12 1 1 A 69 69 PHE N N 69 122.200 122.348 -0.148 1
1 635 . 12 1 1 A 70 70 LEU H H 70 7.550 9.705 -2.155 1
1 636 . 12 1 1 A 70 70 LEU HA H 70 4.540 5.170 -0.630 1
1 645 . 12 1 1 A 70 70 LEU C C 70 176.000 176.382 -0.382 1
1 646 . 12 1 1 A 70 70 LEU CA C 70 53.700 53.988 -0.288 1
1 647 . 12 1 1 A 70 70 LEU CB C 70 43.600 42.092 1.508 1
1 651 . 12 1 1 A 70 70 LEU N N 70 124.700 127.436 -2.736 1
1 652 . 12 1 1 A 71 71 VAL H H 71 9.700 8.830 0.870 1
1 653 . 12 1 1 A 71 71 VAL HA H 71 4.140 4.655 -0.515 1
1 661 . 12 1 1 A 71 71 VAL CA C 71 59.600 59.161 0.439 1
1 662 . 12 1 1 A 71 71 VAL CB C 71 34.000 36.031 -2.031 1
1 665 . 12 1 1 A 71 71 VAL N N 71 125.800 124.935 0.865 1
1 666 . 12 1 1 A 72 72 PRO HA H 72 4.170 4.536 -0.366 1
1 673 . 12 1 1 A 72 72 PRO C C 72 176.200 177.323 -1.123 1
1 674 . 12 1 1 A 72 72 PRO CA C 72 64.100 63.642 0.458 1
1 675 . 12 1 1 A 72 72 PRO CB C 72 32.200 31.593 0.607 1
1 678 . 12 1 1 A 73 73 GLY H H 73 8.500 9.610 -1.110 1
1 679 . 12 1 1 A 73 73 GLY HA2 H 73 3.860 3.813 0.047 1
1 680 . 12 1 1 A 73 73 GLY HA3 H 73 4.550 3.833 0.717 1
1 681 . 12 1 1 A 73 73 GLY CA C 73 45.700 45.389 0.311 1
1 682 . 12 1 1 A 73 73 GLY N N 73 112.200 111.302 0.898 1
1 683 . 12 1 1 A 74 74 ILE H H 74 8.360 7.440 0.920 1
1 684 . 12 1 1 A 74 74 ILE HA H 74 4.580 3.982 0.598 1
1 694 . 12 1 1 A 74 74 ILE C C 74 175.700 177.453 -1.753 1
1 695 . 12 1 1 A 74 74 ILE CA C 74 62.700 62.782 -0.082 1
1 696 . 12 1 1 A 74 74 ILE CB C 74 38.400 38.200 0.200 1
1 700 . 12 1 1 A 74 74 ILE N N 74 120.200 119.980 0.220 1
1 701 . 12 1 1 A 75 75 ASN H H 75 8.470 8.226 0.244 1
1 702 . 12 1 1 A 75 75 ASN HA H 75 4.970 4.891 0.079 1
1 706 . 12 1 1 A 75 75 ASN C C 75 172.900 174.567 -1.667 1
1 707 . 12 1 1 A 75 75 ASN CA C 75 52.600 52.630 -0.030 1
1 708 . 12 1 1 A 75 75 ASN CB C 75 38.600 38.911 -0.311 1
1 709 . 12 1 1 A 75 75 ASN N N 75 116.400 114.989 1.411 1
1 711 . 12 1 1 A 76 76 ALA H H 76 7.250 7.663 -0.413 1
1 712 . 12 1 1 A 76 76 ALA HA H 76 5.510 5.298 0.212 1
1 716 . 12 1 1 A 76 76 ALA C C 76 176.200 174.951 1.249 1
1 717 . 12 1 1 A 76 76 ALA CA C 76 50.400 51.497 -1.097 1
1 718 . 12 1 1 A 76 76 ALA CB C 76 23.200 23.050 0.150 1
1 719 . 12 1 1 A 76 76 ALA N N 76 117.400 119.658 -2.258 1
1 720 . 12 1 1 A 77 77 ARG H H 77 8.850 8.969 -0.119 1
1 721 . 12 1 1 A 77 77 ARG HA H 77 4.950 5.172 -0.222 1
1 728 . 12 1 1 A 77 77 ARG CA C 77 54.800 54.477 0.323 1
1 729 . 12 1 1 A 77 77 ARG CB C 77 33.700 34.123 -0.423 1
1 732 . 12 1 1 A 77 77 ARG N N 77 123.000 122.074 0.926 1
1 733 . 12 1 1 A 78 78 VAL H H 78 8.920 8.988 -0.068 1
1 734 . 12 1 1 A 78 78 VAL HA H 78 4.730 5.317 -0.587 1
1 742 . 12 1 1 A 78 78 VAL CA C 78 61.400 59.566 1.834 1
1 743 . 12 1 1 A 78 78 VAL CB C 78 34.400 34.740 -0.340 1
1 746 . 12 1 1 A 78 78 VAL N N 78 127.400 124.444 2.956 1
1 747 . 12 1 1 A 79 79 ARG H H 79 9.000 9.128 -0.128 1
1 748 . 12 1 1 A 79 79 ARG HA H 79 4.750 5.091 -0.341 1
1 754 . 12 1 1 A 79 79 ARG CA C 79 54.400 54.563 -0.163 1
1 755 . 12 1 1 A 79 79 ARG CB C 79 34.300 33.481 0.819 1
1 758 . 12 1 1 A 79 79 ARG N N 79 126.400 129.659 -3.259 1
1 759 . 12 1 1 A 80 80 LEU H H 80 8.480 9.219 -0.739 1
1 760 . 12 1 1 A 80 80 LEU HA H 80 4.690 5.127 -0.437 1
1 770 . 12 1 1 A 80 80 LEU CA C 80 54.600 53.624 0.976 1
1 771 . 12 1 1 A 80 80 LEU CB C 80 43.500 43.029 0.471 1
1 775 . 12 1 1 A 80 80 LEU N N 80 124.700 128.558 -3.858 1
1 776 . 12 1 1 A 81 81 ARG H H 81 8.800 9.112 -0.312 1
1 777 . 12 1 1 A 81 81 ARG HA H 81 4.540 4.986 -0.446 1
1 781 . 12 1 1 A 81 81 ARG CA C 81 54.600 54.372 0.228 1
1 782 . 12 1 1 A 81 81 ARG CB C 81 31.600 33.515 -1.915 1
1 785 . 12 1 1 A 81 81 ARG N N 81 126.100 124.357 1.743 1
1 786 . 12 1 1 A 86 86 PRO HA H 86 4.700 4.773 -0.073 1
1 792 . 12 1 1 A 86 86 PRO C C 86 176.400 176.123 0.277 1
1 793 . 12 1 1 A 86 86 PRO CA C 86 64.000 63.035 0.965 1
1 794 . 12 1 1 A 86 86 PRO CB C 86 32.600 32.539 0.061 1
1 796 . 12 1 1 A 87 87 HIS H H 87 8.560 8.175 0.385 1
1 797 . 12 1 1 A 87 87 HIS HA H 87 5.140 5.060 0.080 1
1 800 . 12 1 1 A 87 87 HIS C C 87 172.600 174.400 -1.800 1
1 801 . 12 1 1 A 87 87 HIS CA C 87 56.000 54.769 1.231 1
1 802 . 12 1 1 A 87 87 HIS CB C 87 32.400 34.043 -1.643 1
1 803 . 12 1 1 A 87 87 HIS N N 87 118.700 122.220 -3.520 1
1 804 . 12 1 1 A 88 88 ILE H H 88 9.250 8.881 0.369 1
1 805 . 12 1 1 A 88 88 ILE HA H 88 4.710 5.219 -0.509 1
1 815 . 12 1 1 A 88 88 ILE CA C 88 60.200 59.186 1.014 1
1 816 . 12 1 1 A 88 88 ILE CB C 88 40.600 41.759 -1.159 1
1 820 . 12 1 1 A 88 88 ILE N N 88 120.600 117.319 3.281 1
1 821 . 12 1 1 A 89 89 VAL H H 89 9.050 9.122 -0.072 1
1 822 . 12 1 1 A 89 89 VAL HA H 89 4.800 5.242 -0.442 1
1 830 . 12 1 1 A 89 89 VAL C C 89 175.000 174.650 0.350 1
1 831 . 12 1 1 A 89 89 VAL CA C 89 61.400 60.083 1.317 1
1 832 . 12 1 1 A 89 89 VAL CB C 89 34.400 34.309 0.091 1
1 835 . 12 1 1 A 90 90 VAL H H 90 9.340 9.895 -0.555 1
1 836 . 12 1 1 A 90 90 VAL HA H 90 5.160 5.293 -0.133 1
1 844 . 12 1 1 A 90 90 VAL C C 90 173.600 175.091 -1.491 1
1 845 . 12 1 1 A 90 90 VAL CA C 90 61.400 60.792 0.608 1
1 846 . 12 1 1 A 90 90 VAL CB C 90 34.100 34.366 -0.266 1
1 849 . 12 1 1 A 90 90 VAL N N 90 128.000 125.475 2.525 1
1 850 . 12 1 1 A 91 91 LYS H H 91 9.030 9.137 -0.107 1
1 851 . 12 1 1 A 91 91 LYS HA H 91 5.160 5.360 -0.200 1
1 858 . 12 1 1 A 91 91 LYS C C 91 175.300 174.818 0.482 1
1 859 . 12 1 1 A 91 91 LYS CA C 91 54.100 54.861 -0.761 1
1 860 . 12 1 1 A 91 91 LYS CB C 91 36.600 34.951 1.649 1
1 864 . 12 1 1 A 91 91 LYS N N 91 128.100 125.112 2.988 1
1 865 . 12 1 1 A 92 92 CYS H H 92 9.050 8.545 0.505 1
1 866 . 12 1 1 A 92 92 CYS HA H 92 4.950 5.073 -0.123 1
1 869 . 12 1 1 A 92 92 CYS C C 92 177.300 175.592 1.708 1
1 870 . 12 1 1 A 92 92 CYS CA C 92 59.600 56.891 2.709 1
1 871 . 12 1 1 A 92 92 CYS CB C 92 32.600 30.428 2.172 1
1 872 . 12 1 1 A 92 92 CYS N N 92 129.900 123.246 6.654 1
1 873 . 12 1 1 A 93 93 LEU H H 93 8.910 9.355 -0.445 1
1 874 . 12 1 1 A 93 93 LEU HA H 93 4.480 3.954 0.526 1
1 884 . 12 1 1 A 93 93 LEU C C 93 178.100 178.349 -0.249 1
1 885 . 12 1 1 A 93 93 LEU CA C 93 55.300 58.186 -2.886 1
1 886 . 12 1 1 A 93 93 LEU CB C 93 40.500 41.485 -0.985 1
1 890 . 12 1 1 A 93 93 LEU N N 93 127.300 129.653 -2.353 1
1 891 . 12 1 1 A 94 94 GLU H H 94 9.460 8.264 1.196 1
1 892 . 12 1 1 A 94 94 GLU HA H 94 4.420 3.970 0.450 1
1 897 . 12 1 1 A 94 94 GLU C C 94 178.400 179.094 -0.694 1
1 898 . 12 1 1 A 94 94 GLU CA C 94 59.700 59.595 0.105 1
1 899 . 12 1 1 A 94 94 GLU CB C 94 29.900 29.189 0.711 1
1 901 . 12 1 1 A 94 94 GLU N N 94 122.900 118.424 4.476 1
1 902 . 12 1 1 A 95 95 CYS H H 95 9.110 7.554 1.556 1
1 903 . 12 1 1 A 95 95 CYS HA H 95 5.140 4.392 0.748 1
1 906 . 12 1 1 A 95 95 CYS C C 95 176.900 175.688 1.212 1
1 907 . 12 1 1 A 95 95 CYS CA C 95 58.900 59.912 -1.012 1
1 908 . 12 1 1 A 95 95 CYS CB C 95 33.600 28.802 4.798 1
1 909 . 12 1 1 A 95 95 CYS N N 95 119.200 115.260 3.940 1
1 910 . 12 1 1 A 96 96 GLY H H 96 8.000 8.370 -0.370 1
1 911 . 12 1 1 A 96 96 GLY HA2 H 96 3.850 3.572 0.278 1
1 912 . 12 1 1 A 96 96 GLY C C 96 174.100 173.408 0.692 1
1 913 . 12 1 1 A 96 96 GLY CA C 96 46.500 45.554 0.946 1
1 914 . 12 1 1 A 96 96 GLY N N 96 115.300 110.713 4.587 1
1 915 . 12 1 1 A 97 97 HIS H H 97 9.310 7.305 2.005 1
1 916 . 12 1 1 A 97 97 HIS HA H 97 4.500 5.003 -0.503 1
1 919 . 12 1 1 A 97 97 HIS C C 97 173.200 173.767 -0.567 1
1 920 . 12 1 1 A 97 97 HIS CA C 97 58.600 54.776 3.824 1
1 921 . 12 1 1 A 97 97 HIS CB C 97 33.000 33.399 -0.399 1
1 922 . 12 1 1 A 97 97 HIS N N 97 125.300 117.160 8.140 1
1 923 . 12 1 1 A 98 98 ILE H H 98 6.890 8.796 -1.906 1
1 924 . 12 1 1 A 98 98 ILE HA H 98 4.760 4.723 0.037 1
1 934 . 12 1 1 A 98 98 ILE C C 98 175.000 173.984 1.016 1
1 935 . 12 1 1 A 98 98 ILE CA C 98 60.000 60.545 -0.545 1
1 936 . 12 1 1 A 98 98 ILE CB C 98 40.200 40.426 -0.226 1
1 940 . 12 1 1 A 98 98 ILE N N 98 123.600 123.709 -0.109 1
1 941 . 12 1 1 A 99 99 MET H H 99 9.050 9.717 -0.667 1
1 942 . 12 1 1 A 99 99 MET HA H 99 4.630 5.360 -0.730 1
1 950 . 12 1 1 A 99 99 MET C C 99 173.100 175.028 -1.928 1
1 951 . 12 1 1 A 99 99 MET CA C 99 54.400 54.008 0.392 1
1 952 . 12 1 1 A 99 99 MET CB C 99 37.900 34.762 3.138 1
1 955 . 12 1 1 A 99 99 MET N N 99 126.400 128.102 -1.702 1
1 956 . 12 1 1 A 100 100 ARG H H 100 7.930 8.989 -1.059 1
1 957 . 12 1 1 A 100 100 ARG HA H 100 5.370 4.883 0.487 1
1 963 . 12 1 1 A 100 100 ARG C C 100 175.200 175.102 0.098 1
1 964 . 12 1 1 A 100 100 ARG CA C 100 54.700 55.171 -0.471 1
1 965 . 12 1 1 A 100 100 ARG CB C 100 33.600 32.530 1.070 1
1 968 . 12 1 1 A 100 100 ARG N N 100 120.200 123.413 -3.213 1
1 969 . 12 1 1 A 101 101 TYR H H 101 9.110 9.090 0.020 1
1 970 . 12 1 1 A 101 101 TYR HA H 101 5.130 5.126 0.004 1
1 977 . 12 1 1 A 101 101 TYR CA C 101 55.300 55.075 0.225 1
1 978 . 12 1 1 A 101 101 TYR CB C 101 40.900 39.210 1.690 1
1 983 . 12 1 1 A 101 101 TYR N N 101 121.100 122.805 -1.705 1
1 1 . 13 1 1 A 18 18 ILE HA H 18 3.610 3.722 -0.112 1
1 11 . 13 1 1 A 18 18 ILE C C 18 176.800 177.966 -1.166 1
1 12 . 13 1 1 A 18 18 ILE CA C 18 66.700 65.701 0.999 1
1 13 . 13 1 1 A 18 18 ILE CB C 18 38.600 37.569 1.031 1
1 17 . 13 1 1 A 19 19 ASP H H 19 8.050 8.629 -0.579 1
1 18 . 13 1 1 A 19 19 ASP HA H 19 4.580 4.683 -0.103 1
1 21 . 13 1 1 A 19 19 ASP CA C 19 58.200 57.551 0.649 1
1 22 . 13 1 1 A 19 19 ASP CB C 19 42.500 40.926 1.574 1
1 23 . 13 1 1 A 19 19 ASP N N 19 119.100 120.295 -1.195 1
1 24 . 13 1 1 A 20 20 ILE H H 20 8.240 7.958 0.282 1
1 25 . 13 1 1 A 20 20 ILE HA H 20 3.730 3.752 -0.022 1
1 35 . 13 1 1 A 20 20 ILE CA C 20 65.000 65.502 -0.502 1
1 36 . 13 1 1 A 20 20 ILE CB C 20 38.300 37.708 0.592 1
1 40 . 13 1 1 A 20 20 ILE N N 20 120.400 120.387 0.013 1
1 41 . 13 1 1 A 21 21 LEU H H 21 7.870 8.679 -0.809 1
1 42 . 13 1 1 A 21 21 LEU HA H 21 4.440 4.093 0.347 1
1 49 . 13 1 1 A 21 21 LEU C C 21 178.700 178.908 -0.208 1
1 50 . 13 1 1 A 21 21 LEU CA C 21 59.800 58.144 1.656 1
1 51 . 13 1 1 A 21 21 LEU CB C 21 42.200 41.730 0.470 1
1 54 . 13 1 1 A 21 21 LEU N N 21 121.100 121.415 -0.315 1
1 55 . 13 1 1 A 22 22 PHE H H 22 7.820 9.197 -1.377 1
1 56 . 13 1 1 A 22 22 PHE HA H 22 3.480 4.394 -0.914 1
1 63 . 13 1 1 A 22 22 PHE C C 22 177.300 177.596 -0.296 1
1 64 . 13 1 1 A 22 22 PHE CA C 22 63.100 61.994 1.106 1
1 65 . 13 1 1 A 22 22 PHE CB C 22 36.400 39.236 -2.836 1
1 70 . 13 1 1 A 22 22 PHE N N 22 116.900 119.892 -2.992 1
1 71 . 13 1 1 A 23 23 SER H H 23 7.940 7.989 -0.049 1
1 72 . 13 1 1 A 23 23 SER HA H 23 4.520 4.129 0.391 1
1 75 . 13 1 1 A 23 23 SER C C 23 177.300 177.475 -0.175 1
1 76 . 13 1 1 A 23 23 SER CA C 23 63.500 61.512 1.988 1
1 77 . 13 1 1 A 23 23 SER CB C 23 62.900 62.968 -0.068 1
1 78 . 13 1 1 A 23 23 SER N N 23 114.400 114.423 -0.023 1
1 79 . 13 1 1 A 24 24 LEU H H 24 8.050 7.857 0.193 1
1 80 . 13 1 1 A 24 24 LEU HA H 24 3.820 3.997 -0.177 1
1 89 . 13 1 1 A 24 24 LEU C C 24 178.200 178.850 -0.650 1
1 90 . 13 1 1 A 24 24 LEU CA C 24 58.100 57.501 0.599 1
1 91 . 13 1 1 A 24 24 LEU CB C 24 40.700 41.493 -0.793 1
1 95 . 13 1 1 A 24 24 LEU N N 24 124.700 121.012 3.688 1
1 96 . 13 1 1 A 25 25 ALA H H 25 7.590 9.148 -1.558 1
1 97 . 13 1 1 A 25 25 ALA HA H 25 3.820 3.955 -0.135 1
1 101 . 13 1 1 A 25 25 ALA C C 25 177.700 179.495 -1.795 1
1 102 . 13 1 1 A 25 25 ALA CA C 25 55.800 55.568 0.232 1
1 103 . 13 1 1 A 25 25 ALA CB C 25 18.400 18.314 0.086 1
1 104 . 13 1 1 A 25 25 ALA N N 25 122.400 122.146 0.254 1
1 105 . 13 1 1 A 26 26 GLU H H 26 7.690 8.164 -0.474 1
1 106 . 13 1 1 A 26 26 GLU HA H 26 4.270 3.831 0.439 1
1 111 . 13 1 1 A 26 26 GLU C C 26 178.600 178.559 0.041 1
1 112 . 13 1 1 A 26 26 GLU CA C 26 60.000 58.996 1.004 1
1 113 . 13 1 1 A 26 26 GLU CB C 26 31.100 29.135 1.965 1
1 115 . 13 1 1 A 26 26 GLU N N 26 116.000 119.285 -3.285 1
1 116 . 13 1 1 A 27 27 ARG H H 27 7.670 7.607 0.063 1
1 117 . 13 1 1 A 27 27 ARG HA H 27 4.190 4.170 0.020 1
1 122 . 13 1 1 A 27 27 ARG C C 27 178.400 178.389 0.011 1
1 123 . 13 1 1 A 27 27 ARG CA C 27 58.800 58.741 0.059 1
1 124 . 13 1 1 A 27 27 ARG CB C 27 30.700 29.910 0.790 1
1 127 . 13 1 1 A 27 27 ARG N N 27 116.700 120.578 -3.878 1
1 128 . 13 1 1 A 28 28 VAL H H 28 8.230 7.937 0.293 1
1 129 . 13 1 1 A 28 28 VAL HA H 28 4.530 3.934 0.596 1
1 137 . 13 1 1 A 28 28 VAL C C 28 176.500 178.109 -1.609 1
1 138 . 13 1 1 A 28 28 VAL CA C 28 62.600 65.171 -2.571 1
1 139 . 13 1 1 A 28 28 VAL CB C 28 33.000 31.355 1.645 1
1 142 . 13 1 1 A 28 28 VAL N N 28 112.600 118.676 -6.076 1
1 143 . 13 1 1 A 29 29 PHE H H 29 8.020 8.171 -0.151 1
1 144 . 13 1 1 A 29 29 PHE HA H 29 3.960 4.269 -0.309 1
1 151 . 13 1 1 A 29 29 PHE CA C 29 64.500 62.665 1.835 1
1 152 . 13 1 1 A 29 29 PHE CB C 29 37.300 36.791 0.509 1
1 157 . 13 1 1 A 29 29 PHE N N 29 124.600 122.493 2.107 1
1 158 . 13 1 1 A 30 30 PRO HA H 30 4.150 3.921 0.229 1
1 163 . 13 1 1 A 30 30 PRO C C 30 176.600 178.433 -1.833 1
1 164 . 13 1 1 A 30 30 PRO CA C 30 65.600 65.608 -0.008 1
1 165 . 13 1 1 A 30 30 PRO CB C 30 31.400 30.539 0.861 1
1 168 . 13 1 1 A 31 31 TYR H H 31 7.540 8.388 -0.848 1
1 169 . 13 1 1 A 31 31 TYR HA H 31 4.600 4.311 0.289 1
1 176 . 13 1 1 A 31 31 TYR C C 31 176.500 176.290 0.210 1
1 177 . 13 1 1 A 31 31 TYR CA C 31 58.300 60.760 -2.460 1
1 178 . 13 1 1 A 31 31 TYR CB C 31 39.400 38.494 0.906 1
1 183 . 13 1 1 A 31 31 TYR N N 31 113.500 117.817 -4.317 1
1 184 . 13 1 1 A 32 32 SER H H 32 8.210 8.434 -0.224 1
1 185 . 13 1 1 A 32 32 SER HA H 32 4.770 4.938 -0.168 1
1 188 . 13 1 1 A 32 32 SER CA C 32 55.700 55.954 -0.254 1
1 189 . 13 1 1 A 32 32 SER CB C 32 63.200 65.725 -2.525 1
1 190 . 13 1 1 A 32 32 SER N N 32 111.700 113.315 -1.615 1
1 191 . 13 1 1 A 33 33 PRO HA H 33 4.250 4.518 -0.268 1
1 195 . 13 1 1 A 33 33 PRO C C 33 179.000 179.026 -0.026 1
1 196 . 13 1 1 A 33 33 PRO CA C 33 65.400 65.482 -0.082 1
1 197 . 13 1 1 A 33 33 PRO CB C 33 33.000 31.787 1.213 1
1 200 . 13 1 1 A 34 34 GLU H H 34 8.390 8.262 0.128 1
1 201 . 13 1 1 A 34 34 GLU HA H 34 4.130 4.163 -0.033 1
1 204 . 13 1 1 A 34 34 GLU C C 34 178.700 179.588 -0.888 1
1 205 . 13 1 1 A 34 34 GLU CA C 34 59.900 59.431 0.469 1
1 206 . 13 1 1 A 34 34 GLU CB C 34 30.000 29.301 0.699 1
1 208 . 13 1 1 A 34 34 GLU N N 34 118.500 117.980 0.520 1
1 209 . 13 1 1 A 35 35 LEU H H 35 7.970 8.412 -0.442 1
1 210 . 13 1 1 A 35 35 LEU HA H 35 4.070 4.020 0.050 1
1 217 . 13 1 1 A 35 35 LEU CA C 35 57.400 58.091 -0.691 1
1 218 . 13 1 1 A 35 35 LEU CB C 35 42.200 41.827 0.373 1
1 221 . 13 1 1 A 35 35 LEU N N 35 122.000 120.235 1.765 1
1 222 . 13 1 1 A 36 36 ALA H H 36 7.860 8.659 -0.799 1
1 223 . 13 1 1 A 36 36 ALA HA H 36 4.040 4.232 -0.192 1
1 227 . 13 1 1 A 36 36 ALA C C 36 178.600 179.203 -0.603 1
1 228 . 13 1 1 A 36 36 ALA CA C 36 56.400 55.439 0.961 1
1 229 . 13 1 1 A 36 36 ALA CB C 36 19.500 18.580 0.920 1
1 230 . 13 1 1 A 36 36 ALA N N 36 121.000 121.866 -0.866 1
1 231 . 13 1 1 A 37 37 LYS H H 37 7.910 8.228 -0.318 1
1 232 . 13 1 1 A 37 37 LYS HA H 37 4.300 3.983 0.317 1
1 237 . 13 1 1 A 37 37 LYS C C 37 177.800 178.957 -1.157 1
1 238 . 13 1 1 A 37 37 LYS CA C 37 59.700 59.791 -0.091 1
1 239 . 13 1 1 A 37 37 LYS CB C 37 32.400 32.739 -0.339 1
1 243 . 13 1 1 A 37 37 LYS N N 37 117.700 118.310 -0.610 1
1 244 . 13 1 1 A 38 38 ARG H H 38 7.640 7.567 0.073 1
1 245 . 13 1 1 A 38 38 ARG HA H 38 4.090 3.969 0.121 1
1 251 . 13 1 1 A 38 38 ARG C C 38 179.600 178.802 0.798 1
1 252 . 13 1 1 A 38 38 ARG CA C 38 59.300 59.546 -0.246 1
1 253 . 13 1 1 A 38 38 ARG CB C 38 30.000 29.705 0.295 1
1 256 . 13 1 1 A 38 38 ARG N N 38 118.200 118.466 -0.266 1
1 257 . 13 1 1 A 39 39 TYR H H 39 7.860 7.894 -0.034 1
1 258 . 13 1 1 A 39 39 TYR HA H 39 4.290 4.379 -0.089 1
1 264 . 13 1 1 A 39 39 TYR C C 39 177.800 178.486 -0.686 1
1 265 . 13 1 1 A 39 39 TYR CA C 39 62.500 60.387 2.113 1
1 266 . 13 1 1 A 39 39 TYR CB C 39 38.300 37.775 0.525 1
1 271 . 13 1 1 A 39 39 TYR N N 39 119.200 119.778 -0.578 1
1 272 . 13 1 1 A 40 40 VAL H H 40 7.960 8.623 -0.663 1
1 273 . 13 1 1 A 40 40 VAL HA H 40 2.750 3.317 -0.567 1
1 281 . 13 1 1 A 40 40 VAL C C 40 177.800 177.996 -0.196 1
1 282 . 13 1 1 A 40 40 VAL CA C 40 67.300 66.388 0.912 1
1 283 . 13 1 1 A 40 40 VAL CB C 40 31.400 31.303 0.097 1
1 286 . 13 1 1 A 40 40 VAL N N 40 120.800 119.647 1.153 1
1 287 . 13 1 1 A 41 41 GLU H H 41 8.660 8.063 0.597 1
1 288 . 13 1 1 A 41 41 GLU HA H 41 3.680 4.038 -0.358 1
1 291 . 13 1 1 A 41 41 GLU C C 41 179.900 178.514 1.386 1
1 292 . 13 1 1 A 41 41 GLU CA C 41 60.500 58.834 1.666 1
1 293 . 13 1 1 A 41 41 GLU CB C 41 29.400 29.475 -0.075 1
1 295 . 13 1 1 A 41 41 GLU N N 41 117.000 120.394 -3.394 1
1 296 . 13 1 1 A 42 42 LEU H H 42 7.960 7.964 -0.004 1
1 297 . 13 1 1 A 42 42 LEU HA H 42 4.130 4.051 0.079 1
1 306 . 13 1 1 A 42 42 LEU C C 42 178.300 178.312 -0.012 1
1 307 . 13 1 1 A 42 42 LEU CA C 42 58.000 57.751 0.249 1
1 308 . 13 1 1 A 42 42 LEU CB C 42 42.300 41.275 1.025 1
1 312 . 13 1 1 A 42 42 LEU N N 42 120.300 121.310 -1.010 1
1 313 . 13 1 1 A 43 43 ALA H H 43 8.040 7.716 0.324 1
1 314 . 13 1 1 A 43 43 ALA HA H 43 3.740 3.842 -0.102 1
1 318 . 13 1 1 A 43 43 ALA C C 43 179.400 179.988 -0.588 1
1 319 . 13 1 1 A 43 43 ALA CA C 43 55.700 55.167 0.533 1
1 320 . 13 1 1 A 43 43 ALA CB C 43 18.500 18.142 0.358 1
1 321 . 13 1 1 A 43 43 ALA N N 43 123.600 120.733 2.867 1
1 322 . 13 1 1 A 44 44 LEU H H 44 8.340 8.186 0.154 1
1 323 . 13 1 1 A 44 44 LEU HA H 44 4.070 3.755 0.315 1
1 333 . 13 1 1 A 44 44 LEU C C 44 180.000 179.301 0.699 1
1 334 . 13 1 1 A 44 44 LEU CA C 44 57.500 57.645 -0.145 1
1 335 . 13 1 1 A 44 44 LEU CB C 44 40.800 41.753 -0.953 1
1 339 . 13 1 1 A 44 44 LEU N N 44 116.800 118.235 -1.435 1
1 340 . 13 1 1 A 45 45 LEU H H 45 7.860 8.131 -0.271 1
1 341 . 13 1 1 A 45 45 LEU HA H 45 4.170 3.986 0.184 1
1 351 . 13 1 1 A 45 45 LEU C C 45 179.600 178.809 0.791 1
1 352 . 13 1 1 A 45 45 LEU CA C 45 58.400 58.058 0.342 1
1 353 . 13 1 1 A 45 45 LEU CB C 45 42.200 41.893 0.307 1
1 357 . 13 1 1 A 45 45 LEU N N 45 122.600 118.829 3.771 1
1 358 . 13 1 1 A 46 46 VAL H H 46 8.070 8.334 -0.264 1
1 359 . 13 1 1 A 46 46 VAL HA H 46 3.610 3.458 0.152 1
1 367 . 13 1 1 A 46 46 VAL CA C 46 66.800 66.631 0.169 1
1 368 . 13 1 1 A 46 46 VAL CB C 46 31.600 31.158 0.442 1
1 370 . 13 1 1 A 46 46 VAL N N 46 120.100 119.049 1.051 1
1 371 . 13 1 1 A 47 47 GLN H H 47 8.360 8.302 0.058 1
1 372 . 13 1 1 A 47 47 GLN HA H 47 3.860 3.933 -0.073 1
1 378 . 13 1 1 A 47 47 GLN C C 47 178.000 178.002 -0.002 1
1 379 . 13 1 1 A 47 47 GLN CA C 47 60.200 59.187 1.013 1
1 380 . 13 1 1 A 47 47 GLN CB C 47 27.800 28.253 -0.453 1
1 382 . 13 1 1 A 47 47 GLN N N 47 120.000 119.472 0.528 1
1 384 . 13 1 1 A 48 48 GLN H H 48 8.110 8.038 0.072 1
1 385 . 13 1 1 A 48 48 GLN HA H 48 4.080 4.021 0.059 1
1 392 . 13 1 1 A 48 48 GLN C C 48 178.500 178.204 0.296 1
1 393 . 13 1 1 A 48 48 GLN CA C 48 58.900 58.763 0.137 1
1 394 . 13 1 1 A 48 48 GLN CB C 48 29.400 28.315 1.085 1
1 396 . 13 1 1 A 48 48 GLN N N 48 117.600 117.325 0.275 1
1 398 . 13 1 1 A 49 49 LYS H H 49 8.110 7.655 0.455 1
1 399 . 13 1 1 A 49 49 LYS HA H 49 4.190 4.063 0.127 1
1 405 . 13 1 1 A 49 49 LYS C C 49 177.800 178.770 -0.970 1
1 406 . 13 1 1 A 49 49 LYS CA C 49 58.600 58.818 -0.218 1
1 407 . 13 1 1 A 49 49 LYS CB C 49 33.000 32.279 0.721 1
1 411 . 13 1 1 A 49 49 LYS N N 49 118.100 119.565 -1.465 1
1 412 . 13 1 1 A 50 50 ALA H H 50 8.240 8.234 0.006 1
1 413 . 13 1 1 A 50 50 ALA HA H 50 4.460 4.296 0.164 1
1 417 . 13 1 1 A 50 50 ALA C C 50 176.700 177.165 -0.465 1
1 418 . 13 1 1 A 50 50 ALA CA C 50 52.700 52.707 -0.007 1
1 419 . 13 1 1 A 50 50 ALA CB C 50 21.100 19.463 1.637 1
1 420 . 13 1 1 A 50 50 ALA N N 50 119.000 119.620 -0.620 1
1 421 . 13 1 1 A 51 51 LYS H H 51 8.000 7.879 0.121 1
1 422 . 13 1 1 A 51 51 LYS HA H 51 4.030 3.887 0.143 1
1 429 . 13 1 1 A 51 51 LYS C C 51 175.800 175.350 0.450 1
1 430 . 13 1 1 A 51 51 LYS CA C 51 57.500 57.441 0.059 1
1 431 . 13 1 1 A 51 51 LYS CB C 51 29.500 30.415 -0.915 1
1 435 . 13 1 1 A 51 51 LYS N N 51 114.500 117.343 -2.843 1
1 436 . 13 1 1 A 52 52 VAL H H 52 7.000 7.401 -0.401 1
1 437 . 13 1 1 A 52 52 VAL HA H 52 4.570 4.784 -0.214 1
1 445 . 13 1 1 A 52 52 VAL C C 52 175.000 174.541 0.459 1
1 446 . 13 1 1 A 52 52 VAL CA C 52 59.600 60.109 -0.509 1
1 447 . 13 1 1 A 52 52 VAL CB C 52 34.900 34.564 0.336 1
1 450 . 13 1 1 A 52 52 VAL N N 52 111.600 114.808 -3.208 1
1 451 . 13 1 1 A 53 53 LYS H H 53 8.150 8.892 -0.742 1
1 452 . 13 1 1 A 53 53 LYS HA H 53 4.510 4.946 -0.436 1
1 454 . 13 1 1 A 53 53 LYS C C 53 176.800 176.041 0.759 1
1 455 . 13 1 1 A 53 53 LYS CA C 53 55.700 54.943 0.757 1
1 456 . 13 1 1 A 53 53 LYS CB C 53 34.000 34.995 -0.995 1
1 457 . 13 1 1 A 53 53 LYS N N 53 120.800 124.325 -3.525 1
1 458 . 13 1 1 A 54 54 ILE H H 54 8.370 8.652 -0.282 1
1 459 . 13 1 1 A 54 54 ILE HA H 54 4.530 4.701 -0.171 1
1 469 . 13 1 1 A 54 54 ILE CA C 54 58.700 57.902 0.798 1
1 470 . 13 1 1 A 54 54 ILE CB C 54 38.400 39.904 -1.504 1
1 474 . 13 1 1 A 54 54 ILE N N 54 122.500 119.442 3.058 1
1 475 . 13 1 1 A 57 57 LYS HA H 57 3.780 3.808 -0.028 1
1 484 . 13 1 1 A 57 57 LYS C C 57 176.300 177.932 -1.632 1
1 485 . 13 1 1 A 57 57 LYS CA C 57 59.000 58.831 0.169 1
1 486 . 13 1 1 A 57 57 LYS CB C 57 32.300 31.875 0.425 1
1 490 . 13 1 1 A 58 58 TRP H H 58 7.250 7.599 -0.349 1
1 491 . 13 1 1 A 58 58 TRP HA H 58 4.850 4.582 0.268 1
1 500 . 13 1 1 A 58 58 TRP C C 58 176.800 177.612 -0.812 1
1 501 . 13 1 1 A 58 58 TRP CA C 58 55.400 58.276 -2.876 1
1 502 . 13 1 1 A 58 58 TRP CB C 58 31.300 30.969 0.331 1
1 508 . 13 1 1 A 58 58 TRP N N 58 116.300 116.742 -0.442 1
1 510 . 13 1 1 A 59 59 LYS H H 59 7.310 8.624 -1.314 1
1 511 . 13 1 1 A 59 59 LYS HA H 59 3.960 4.069 -0.109 1
1 517 . 13 1 1 A 59 59 LYS CA C 59 60.600 59.402 1.198 1
1 518 . 13 1 1 A 59 59 LYS CB C 59 33.500 31.928 1.572 1
1 522 . 13 1 1 A 59 59 LYS N N 59 118.600 119.867 -1.267 1
1 523 . 13 1 1 A 60 60 ARG HA H 60 4.540 4.372 0.168 1
1 528 . 13 1 1 A 60 60 ARG C C 60 177.200 177.536 -0.336 1
1 529 . 13 1 1 A 60 60 ARG CA C 60 55.400 56.696 -1.296 1
1 530 . 13 1 1 A 60 60 ARG CB C 60 30.400 30.340 0.060 1
1 533 . 13 1 1 A 61 61 ARG H H 61 7.620 7.612 0.008 1
1 534 . 13 1 1 A 61 61 ARG HA H 61 4.250 4.475 -0.225 1
1 537 . 13 1 1 A 61 61 ARG C C 61 172.300 174.791 -2.491 1
1 538 . 13 1 1 A 61 61 ARG CA C 61 54.400 55.380 -0.980 1
1 539 . 13 1 1 A 61 61 ARG CB C 61 27.900 30.332 -2.432 1
1 541 . 13 1 1 A 61 61 ARG N N 61 116.000 116.890 -0.890 1
1 542 . 13 1 1 A 62 62 TYR H H 62 6.980 7.679 -0.699 1
1 543 . 13 1 1 A 62 62 TYR HA H 62 5.860 5.622 0.238 1
1 550 . 13 1 1 A 62 62 TYR C C 62 173.100 172.451 0.649 1
1 551 . 13 1 1 A 62 62 TYR CA C 62 55.000 55.700 -0.700 1
1 552 . 13 1 1 A 62 62 TYR CB C 62 43.000 41.497 1.503 1
1 557 . 13 1 1 A 62 62 TYR N N 62 112.300 116.248 -3.948 1
1 558 . 13 1 1 A 63 63 CYS H H 63 9.220 8.966 0.254 1
1 559 . 13 1 1 A 63 63 CYS HA H 63 4.280 4.425 -0.145 1
1 562 . 13 1 1 A 63 63 CYS C C 63 178.000 175.227 2.773 1
1 563 . 13 1 1 A 63 63 CYS CA C 63 59.900 58.464 1.436 1
1 564 . 13 1 1 A 63 63 CYS CB C 63 32.300 28.604 3.696 1
1 565 . 13 1 1 A 63 63 CYS N N 63 124.100 120.634 3.466 1
1 566 . 13 1 1 A 64 64 LYS H H 64 7.820 8.415 -0.595 1
1 567 . 13 1 1 A 64 64 LYS HA H 64 4.240 3.464 0.776 1
1 571 . 13 1 1 A 64 64 LYS C C 64 175.400 177.447 -2.047 1
1 572 . 13 1 1 A 64 64 LYS CA C 64 59.500 59.631 -0.131 1
1 573 . 13 1 1 A 64 64 LYS CB C 64 33.600 31.988 1.612 1
1 577 . 13 1 1 A 64 64 LYS N N 64 129.300 127.111 2.189 1
1 578 . 13 1 1 A 65 65 LYS H H 65 9.270 7.564 1.706 1
1 579 . 13 1 1 A 65 65 LYS HA H 65 4.250 4.093 0.157 1
1 586 . 13 1 1 A 65 65 LYS C C 65 176.300 179.287 -2.987 1
1 587 . 13 1 1 A 65 65 LYS CA C 65 58.500 58.704 -0.204 1
1 588 . 13 1 1 A 65 65 LYS CB C 65 33.700 32.313 1.387 1
1 592 . 13 1 1 A 65 65 LYS N N 65 122.500 118.106 4.394 1
1 593 . 13 1 1 A 66 66 CYS H H 66 9.190 7.723 1.467 1
1 594 . 13 1 1 A 66 66 CYS HA H 66 4.560 4.434 0.126 1
1 597 . 13 1 1 A 66 66 CYS C C 66 176.200 174.984 1.216 1
1 598 . 13 1 1 A 66 66 CYS CA C 66 59.700 63.384 -3.684 1
1 599 . 13 1 1 A 66 66 CYS CB C 66 32.200 27.913 4.287 1
1 600 . 13 1 1 A 66 66 CYS N N 66 121.200 117.804 3.396 1
1 601 . 13 1 1 A 67 67 HIS H H 67 7.700 7.736 -0.036 1
1 602 . 13 1 1 A 67 67 HIS HA H 67 4.850 4.364 0.486 1
1 604 . 13 1 1 A 67 67 HIS C C 67 171.000 173.864 -2.864 1
1 605 . 13 1 1 A 67 67 HIS CA C 67 56.200 57.120 -0.920 1
1 606 . 13 1 1 A 67 67 HIS CB C 67 26.800 26.842 -0.042 1
1 607 . 13 1 1 A 67 67 HIS N N 67 114.200 115.920 -1.720 1
1 608 . 13 1 1 A 68 68 ALA H H 68 8.720 7.664 1.056 1
1 609 . 13 1 1 A 68 68 ALA HA H 68 4.230 4.999 -0.769 1
1 613 . 13 1 1 A 68 68 ALA C C 68 177.800 176.127 1.673 1
1 614 . 13 1 1 A 68 68 ALA CA C 68 53.800 50.408 3.392 1
1 615 . 13 1 1 A 68 68 ALA CB C 68 19.800 22.607 -2.807 1
1 616 . 13 1 1 A 68 68 ALA N N 68 119.600 119.631 -0.031 1
1 617 . 13 1 1 A 69 69 PHE H H 69 8.500 8.728 -0.228 1
1 618 . 13 1 1 A 69 69 PHE HA H 69 4.590 4.997 -0.407 1
1 626 . 13 1 1 A 69 69 PHE C C 69 174.200 173.968 0.232 1
1 627 . 13 1 1 A 69 69 PHE CA C 69 58.300 59.598 -1.298 1
1 628 . 13 1 1 A 69 69 PHE CB C 69 40.900 39.082 1.818 1
1 634 . 13 1 1 A 69 69 PHE N N 69 122.200 121.154 1.046 1
1 635 . 13 1 1 A 70 70 LEU H H 70 7.550 9.782 -2.232 1
1 636 . 13 1 1 A 70 70 LEU HA H 70 4.540 5.338 -0.798 1
1 645 . 13 1 1 A 70 70 LEU C C 70 176.000 175.529 0.471 1
1 646 . 13 1 1 A 70 70 LEU CA C 70 53.700 53.866 -0.166 1
1 647 . 13 1 1 A 70 70 LEU CB C 70 43.600 44.344 -0.744 1
1 651 . 13 1 1 A 70 70 LEU N N 70 124.700 129.443 -4.743 1
1 652 . 13 1 1 A 71 71 VAL H H 71 9.700 8.948 0.752 1
1 653 . 13 1 1 A 71 71 VAL HA H 71 4.140 4.692 -0.552 1
1 661 . 13 1 1 A 71 71 VAL CA C 71 59.600 59.185 0.415 1
1 662 . 13 1 1 A 71 71 VAL CB C 71 34.000 36.118 -2.118 1
1 665 . 13 1 1 A 71 71 VAL N N 71 125.800 127.466 -1.666 1
1 666 . 13 1 1 A 72 72 PRO HA H 72 4.170 4.573 -0.403 1
1 673 . 13 1 1 A 72 72 PRO C C 72 176.200 177.319 -1.119 1
1 674 . 13 1 1 A 72 72 PRO CA C 72 64.100 63.683 0.417 1
1 675 . 13 1 1 A 72 72 PRO CB C 72 32.200 31.618 0.582 1
1 678 . 13 1 1 A 73 73 GLY H H 73 8.500 9.466 -0.966 1
1 679 . 13 1 1 A 73 73 GLY HA2 H 73 3.860 3.824 0.036 1
1 680 . 13 1 1 A 73 73 GLY HA3 H 73 4.550 3.849 0.701 1
1 681 . 13 1 1 A 73 73 GLY CA C 73 45.700 45.328 0.372 1
1 682 . 13 1 1 A 73 73 GLY N N 73 112.200 111.165 1.035 1
1 683 . 13 1 1 A 74 74 ILE H H 74 8.360 7.301 1.059 1
1 684 . 13 1 1 A 74 74 ILE HA H 74 4.580 4.067 0.513 1
1 694 . 13 1 1 A 74 74 ILE C C 74 175.700 177.468 -1.768 1
1 695 . 13 1 1 A 74 74 ILE CA C 74 62.700 62.749 -0.049 1
1 696 . 13 1 1 A 74 74 ILE CB C 74 38.400 38.328 0.072 1
1 700 . 13 1 1 A 74 74 ILE N N 74 120.200 120.216 -0.016 1
1 701 . 13 1 1 A 75 75 ASN H H 75 8.470 8.337 0.133 1
1 702 . 13 1 1 A 75 75 ASN HA H 75 4.970 4.916 0.054 1
1 706 . 13 1 1 A 75 75 ASN C C 75 172.900 174.691 -1.791 1
1 707 . 13 1 1 A 75 75 ASN CA C 75 52.600 53.204 -0.604 1
1 708 . 13 1 1 A 75 75 ASN CB C 75 38.600 38.631 -0.031 1
1 709 . 13 1 1 A 75 75 ASN N N 75 116.400 115.898 0.502 1
1 711 . 13 1 1 A 76 76 ALA H H 76 7.250 7.682 -0.432 1
1 712 . 13 1 1 A 76 76 ALA HA H 76 5.510 5.318 0.192 1
1 716 . 13 1 1 A 76 76 ALA C C 76 176.200 175.107 1.093 1
1 717 . 13 1 1 A 76 76 ALA CA C 76 50.400 51.609 -1.209 1
1 718 . 13 1 1 A 76 76 ALA CB C 76 23.200 22.999 0.201 1
1 719 . 13 1 1 A 76 76 ALA N N 76 117.400 119.593 -2.193 1
1 720 . 13 1 1 A 77 77 ARG H H 77 8.850 8.815 0.035 1
1 721 . 13 1 1 A 77 77 ARG HA H 77 4.950 5.185 -0.235 1
1 728 . 13 1 1 A 77 77 ARG CA C 77 54.800 54.604 0.196 1
1 729 . 13 1 1 A 77 77 ARG CB C 77 33.700 34.027 -0.327 1
1 732 . 13 1 1 A 77 77 ARG N N 77 123.000 122.317 0.683 1
1 733 . 13 1 1 A 78 78 VAL H H 78 8.920 9.001 -0.081 1
1 734 . 13 1 1 A 78 78 VAL HA H 78 4.730 5.441 -0.711 1
1 742 . 13 1 1 A 78 78 VAL CA C 78 61.400 59.637 1.763 1
1 743 . 13 1 1 A 78 78 VAL CB C 78 34.400 34.704 -0.304 1
1 746 . 13 1 1 A 78 78 VAL N N 78 127.400 124.531 2.869 1
1 747 . 13 1 1 A 79 79 ARG H H 79 9.000 8.902 0.098 1
1 748 . 13 1 1 A 79 79 ARG HA H 79 4.750 5.084 -0.334 1
1 754 . 13 1 1 A 79 79 ARG CA C 79 54.400 54.380 0.020 1
1 755 . 13 1 1 A 79 79 ARG CB C 79 34.300 33.381 0.919 1
1 758 . 13 1 1 A 79 79 ARG N N 79 126.400 129.816 -3.416 1
1 759 . 13 1 1 A 80 80 LEU H H 80 8.480 9.149 -0.669 1
1 760 . 13 1 1 A 80 80 LEU HA H 80 4.690 5.104 -0.414 1
1 770 . 13 1 1 A 80 80 LEU CA C 80 54.600 53.643 0.957 1
1 771 . 13 1 1 A 80 80 LEU CB C 80 43.500 42.859 0.641 1
1 775 . 13 1 1 A 80 80 LEU N N 80 124.700 128.190 -3.490 1
1 776 . 13 1 1 A 81 81 ARG H H 81 8.800 9.548 -0.748 1
1 777 . 13 1 1 A 81 81 ARG HA H 81 4.540 4.921 -0.381 1
1 781 . 13 1 1 A 81 81 ARG CA C 81 54.600 54.718 -0.118 1
1 782 . 13 1 1 A 81 81 ARG CB C 81 31.600 33.094 -1.494 1
1 785 . 13 1 1 A 81 81 ARG N N 81 126.100 124.504 1.596 1
1 786 . 13 1 1 A 86 86 PRO HA H 86 4.700 4.821 -0.121 1
1 792 . 13 1 1 A 86 86 PRO C C 86 176.400 175.422 0.978 1
1 793 . 13 1 1 A 86 86 PRO CA C 86 64.000 62.846 1.154 1
1 794 . 13 1 1 A 86 86 PRO CB C 86 32.600 32.583 0.017 1
1 796 . 13 1 1 A 87 87 HIS H H 87 8.560 8.336 0.224 1
1 797 . 13 1 1 A 87 87 HIS HA H 87 5.140 5.154 -0.014 1
1 800 . 13 1 1 A 87 87 HIS C C 87 172.600 173.025 -0.425 1
1 801 . 13 1 1 A 87 87 HIS CA C 87 56.000 56.160 -0.160 1
1 802 . 13 1 1 A 87 87 HIS CB C 87 32.400 33.419 -1.019 1
1 803 . 13 1 1 A 87 87 HIS N N 87 118.700 122.544 -3.844 1
1 804 . 13 1 1 A 88 88 ILE H H 88 9.250 8.215 1.035 1
1 805 . 13 1 1 A 88 88 ILE HA H 88 4.710 5.073 -0.363 1
1 815 . 13 1 1 A 88 88 ILE CA C 88 60.200 58.982 1.218 1
1 816 . 13 1 1 A 88 88 ILE CB C 88 40.600 41.712 -1.112 1
1 820 . 13 1 1 A 88 88 ILE N N 88 120.600 122.599 -1.999 1
1 821 . 13 1 1 A 89 89 VAL H H 89 9.050 9.149 -0.099 1
1 822 . 13 1 1 A 89 89 VAL HA H 89 4.800 5.005 -0.205 1
1 830 . 13 1 1 A 89 89 VAL C C 89 175.000 174.703 0.297 1
1 831 . 13 1 1 A 89 89 VAL CA C 89 61.400 60.126 1.274 1
1 832 . 13 1 1 A 89 89 VAL CB C 89 34.400 34.217 0.183 1
1 835 . 13 1 1 A 90 90 VAL H H 90 9.340 9.639 -0.299 1
1 836 . 13 1 1 A 90 90 VAL HA H 90 5.160 5.188 -0.028 1
1 844 . 13 1 1 A 90 90 VAL C C 90 173.600 175.031 -1.431 1
1 845 . 13 1 1 A 90 90 VAL CA C 90 61.400 60.878 0.522 1
1 846 . 13 1 1 A 90 90 VAL CB C 90 34.100 34.697 -0.597 1
1 849 . 13 1 1 A 90 90 VAL N N 90 128.000 125.568 2.432 1
1 850 . 13 1 1 A 91 91 LYS H H 91 9.030 8.836 0.194 1
1 851 . 13 1 1 A 91 91 LYS HA H 91 5.160 5.324 -0.164 1
1 858 . 13 1 1 A 91 91 LYS C C 91 175.300 175.206 0.094 1
1 859 . 13 1 1 A 91 91 LYS CA C 91 54.100 54.544 -0.444 1
1 860 . 13 1 1 A 91 91 LYS CB C 91 36.600 35.868 0.732 1
1 864 . 13 1 1 A 91 91 LYS N N 91 128.100 124.509 3.591 1
1 865 . 13 1 1 A 92 92 CYS H H 92 9.050 8.376 0.674 1
1 866 . 13 1 1 A 92 92 CYS HA H 92 4.950 5.355 -0.405 1
1 869 . 13 1 1 A 92 92 CYS C C 92 177.300 175.029 2.271 1
1 870 . 13 1 1 A 92 92 CYS CA C 92 59.600 57.429 2.171 1
1 871 . 13 1 1 A 92 92 CYS CB C 92 32.600 30.005 2.595 1
1 872 . 13 1 1 A 92 92 CYS N N 92 129.900 119.818 10.082 1
1 873 . 13 1 1 A 93 93 LEU H H 93 8.910 9.420 -0.510 1
1 874 . 13 1 1 A 93 93 LEU HA H 93 4.480 3.962 0.518 1
1 884 . 13 1 1 A 93 93 LEU C C 93 178.100 178.457 -0.357 1
1 885 . 13 1 1 A 93 93 LEU CA C 93 55.300 58.235 -2.935 1
1 886 . 13 1 1 A 93 93 LEU CB C 93 40.500 41.662 -1.162 1
1 890 . 13 1 1 A 93 93 LEU N N 93 127.300 125.289 2.011 1
1 891 . 13 1 1 A 94 94 GLU H H 94 9.460 8.391 1.069 1
1 892 . 13 1 1 A 94 94 GLU HA H 94 4.420 4.053 0.367 1
1 897 . 13 1 1 A 94 94 GLU C C 94 178.400 179.388 -0.988 1
1 898 . 13 1 1 A 94 94 GLU CA C 94 59.700 59.704 -0.004 1
1 899 . 13 1 1 A 94 94 GLU CB C 94 29.900 29.248 0.652 1
1 901 . 13 1 1 A 94 94 GLU N N 94 122.900 118.408 4.492 1
1 902 . 13 1 1 A 95 95 CYS H H 95 9.110 7.577 1.533 1
1 903 . 13 1 1 A 95 95 CYS HA H 95 5.140 4.552 0.588 1
1 906 . 13 1 1 A 95 95 CYS C C 95 176.900 175.800 1.100 1
1 907 . 13 1 1 A 95 95 CYS CA C 95 58.900 59.790 -0.890 1
1 908 . 13 1 1 A 95 95 CYS CB C 95 33.600 28.009 5.591 1
1 909 . 13 1 1 A 95 95 CYS N N 95 119.200 116.161 3.039 1
1 910 . 13 1 1 A 96 96 GLY H H 96 8.000 9.301 -1.301 1
1 911 . 13 1 1 A 96 96 GLY HA2 H 96 3.850 3.863 -0.013 1
1 912 . 13 1 1 A 96 96 GLY C C 96 174.100 173.291 0.809 1
1 913 . 13 1 1 A 96 96 GLY CA C 96 46.500 45.702 0.798 1
1 914 . 13 1 1 A 96 96 GLY N N 96 115.300 109.983 5.317 1
1 915 . 13 1 1 A 97 97 HIS H H 97 9.310 7.523 1.787 1
1 916 . 13 1 1 A 97 97 HIS HA H 97 4.500 5.046 -0.546 1
1 919 . 13 1 1 A 97 97 HIS C C 97 173.200 173.243 -0.043 1
1 920 . 13 1 1 A 97 97 HIS CA C 97 58.600 54.674 3.926 1
1 921 . 13 1 1 A 97 97 HIS CB C 97 33.000 33.690 -0.690 1
1 922 . 13 1 1 A 97 97 HIS N N 97 125.300 117.320 7.980 1
1 923 . 13 1 1 A 98 98 ILE H H 98 6.890 8.854 -1.964 1
1 924 . 13 1 1 A 98 98 ILE HA H 98 4.760 4.887 -0.127 1
1 934 . 13 1 1 A 98 98 ILE C C 98 175.000 173.983 1.017 1
1 935 . 13 1 1 A 98 98 ILE CA C 98 60.000 60.026 -0.026 1
1 936 . 13 1 1 A 98 98 ILE CB C 98 40.200 40.924 -0.724 1
1 940 . 13 1 1 A 98 98 ILE N N 98 123.600 123.030 0.570 1
1 941 . 13 1 1 A 99 99 MET H H 99 9.050 9.949 -0.899 1
1 942 . 13 1 1 A 99 99 MET HA H 99 4.630 5.369 -0.739 1
1 950 . 13 1 1 A 99 99 MET C C 99 173.100 174.777 -1.677 1
1 951 . 13 1 1 A 99 99 MET CA C 99 54.400 53.918 0.482 1
1 952 . 13 1 1 A 99 99 MET CB C 99 37.900 35.737 2.163 1
1 955 . 13 1 1 A 99 99 MET N N 99 126.400 127.423 -1.023 1
1 956 . 13 1 1 A 100 100 ARG H H 100 7.930 8.917 -0.987 1
1 957 . 13 1 1 A 100 100 ARG HA H 100 5.370 4.762 0.608 1
1 963 . 13 1 1 A 100 100 ARG C C 100 175.200 174.726 0.474 1
1 964 . 13 1 1 A 100 100 ARG CA C 100 54.700 55.102 -0.402 1
1 965 . 13 1 1 A 100 100 ARG CB C 100 33.600 33.052 0.548 1
1 968 . 13 1 1 A 100 100 ARG N N 100 120.200 122.834 -2.634 1
1 969 . 13 1 1 A 101 101 TYR H H 101 9.110 8.462 0.648 1
1 970 . 13 1 1 A 101 101 TYR HA H 101 5.130 5.152 -0.022 1
1 977 . 13 1 1 A 101 101 TYR CA C 101 55.300 55.124 0.176 1
1 978 . 13 1 1 A 101 101 TYR CB C 101 40.900 39.903 0.997 1
1 983 . 13 1 1 A 101 101 TYR N N 101 121.100 123.435 -2.335 1
1 1 . 14 1 1 A 18 18 ILE HA H 18 3.610 4.071 -0.461 1
1 11 . 14 1 1 A 18 18 ILE C C 18 176.800 177.651 -0.851 1
1 12 . 14 1 1 A 18 18 ILE CA C 18 66.700 62.874 3.826 1
1 13 . 14 1 1 A 18 18 ILE CB C 18 38.600 37.878 0.722 1
1 17 . 14 1 1 A 19 19 ASP H H 19 8.050 8.291 -0.241 1
1 18 . 14 1 1 A 19 19 ASP HA H 19 4.580 4.688 -0.108 1
1 21 . 14 1 1 A 19 19 ASP CA C 19 58.200 57.744 0.456 1
1 22 . 14 1 1 A 19 19 ASP CB C 19 42.500 40.257 2.243 1
1 23 . 14 1 1 A 19 19 ASP N N 19 119.100 121.472 -2.372 1
1 24 . 14 1 1 A 20 20 ILE H H 20 8.240 7.590 0.650 1
1 25 . 14 1 1 A 20 20 ILE HA H 20 3.730 3.663 0.067 1
1 35 . 14 1 1 A 20 20 ILE CA C 20 65.000 65.439 -0.439 1
1 36 . 14 1 1 A 20 20 ILE CB C 20 38.300 37.617 0.683 1
1 40 . 14 1 1 A 20 20 ILE N N 20 120.400 120.421 -0.021 1
1 41 . 14 1 1 A 21 21 LEU H H 21 7.870 7.991 -0.121 1
1 42 . 14 1 1 A 21 21 LEU HA H 21 4.440 4.021 0.419 1
1 49 . 14 1 1 A 21 21 LEU C C 21 178.700 178.779 -0.079 1
1 50 . 14 1 1 A 21 21 LEU CA C 21 59.800 58.030 1.770 1
1 51 . 14 1 1 A 21 21 LEU CB C 21 42.200 41.624 0.576 1
1 54 . 14 1 1 A 21 21 LEU N N 21 121.100 121.342 -0.242 1
1 55 . 14 1 1 A 22 22 PHE H H 22 7.820 8.850 -1.030 1
1 56 . 14 1 1 A 22 22 PHE HA H 22 3.480 4.219 -0.739 1
1 63 . 14 1 1 A 22 22 PHE C C 22 177.300 177.412 -0.112 1
1 64 . 14 1 1 A 22 22 PHE CA C 22 63.100 61.961 1.139 1
1 65 . 14 1 1 A 22 22 PHE CB C 22 36.400 39.197 -2.797 1
1 70 . 14 1 1 A 22 22 PHE N N 22 116.900 119.791 -2.891 1
1 71 . 14 1 1 A 23 23 SER H H 23 7.940 7.936 0.004 1
1 72 . 14 1 1 A 23 23 SER HA H 23 4.520 3.568 0.952 1
1 75 . 14 1 1 A 23 23 SER C C 23 177.300 177.312 -0.012 1
1 76 . 14 1 1 A 23 23 SER CA C 23 63.500 60.976 2.524 1
1 77 . 14 1 1 A 23 23 SER CB C 23 62.900 62.783 0.117 1
1 78 . 14 1 1 A 23 23 SER N N 23 114.400 113.904 0.496 1
1 79 . 14 1 1 A 24 24 LEU H H 24 8.050 7.846 0.204 1
1 80 . 14 1 1 A 24 24 LEU HA H 24 3.820 3.909 -0.089 1
1 89 . 14 1 1 A 24 24 LEU C C 24 178.200 178.744 -0.544 1
1 90 . 14 1 1 A 24 24 LEU CA C 24 58.100 57.455 0.645 1
1 91 . 14 1 1 A 24 24 LEU CB C 24 40.700 41.542 -0.842 1
1 95 . 14 1 1 A 24 24 LEU N N 24 124.700 120.670 4.030 1
1 96 . 14 1 1 A 25 25 ALA H H 25 7.590 8.553 -0.963 1
1 97 . 14 1 1 A 25 25 ALA HA H 25 3.820 3.983 -0.163 1
1 101 . 14 1 1 A 25 25 ALA C C 25 177.700 179.329 -1.629 1
1 102 . 14 1 1 A 25 25 ALA CA C 25 55.800 55.566 0.234 1
1 103 . 14 1 1 A 25 25 ALA CB C 25 18.400 18.151 0.249 1
1 104 . 14 1 1 A 25 25 ALA N N 25 122.400 122.067 0.333 1
1 105 . 14 1 1 A 26 26 GLU H H 26 7.690 7.848 -0.158 1
1 106 . 14 1 1 A 26 26 GLU HA H 26 4.270 3.740 0.530 1
1 111 . 14 1 1 A 26 26 GLU C C 26 178.600 178.868 -0.268 1
1 112 . 14 1 1 A 26 26 GLU CA C 26 60.000 58.919 1.081 1
1 113 . 14 1 1 A 26 26 GLU CB C 26 31.100 28.950 2.150 1
1 115 . 14 1 1 A 26 26 GLU N N 26 116.000 118.956 -2.956 1
1 116 . 14 1 1 A 27 27 ARG H H 27 7.670 7.469 0.201 1
1 117 . 14 1 1 A 27 27 ARG HA H 27 4.190 4.037 0.153 1
1 122 . 14 1 1 A 27 27 ARG C C 27 178.400 179.316 -0.916 1
1 123 . 14 1 1 A 27 27 ARG CA C 27 58.800 59.414 -0.614 1
1 124 . 14 1 1 A 27 27 ARG CB C 27 30.700 30.396 0.304 1
1 127 . 14 1 1 A 27 27 ARG N N 27 116.700 119.082 -2.382 1
1 128 . 14 1 1 A 28 28 VAL H H 28 8.230 7.694 0.536 1
1 129 . 14 1 1 A 28 28 VAL HA H 28 4.530 3.884 0.646 1
1 137 . 14 1 1 A 28 28 VAL C C 28 176.500 178.095 -1.595 1
1 138 . 14 1 1 A 28 28 VAL CA C 28 62.600 65.119 -2.519 1
1 139 . 14 1 1 A 28 28 VAL CB C 28 33.000 31.431 1.569 1
1 142 . 14 1 1 A 28 28 VAL N N 28 112.600 119.611 -7.011 1
1 143 . 14 1 1 A 29 29 PHE H H 29 8.020 8.387 -0.367 1
1 144 . 14 1 1 A 29 29 PHE HA H 29 3.960 4.370 -0.410 1
1 151 . 14 1 1 A 29 29 PHE CA C 29 64.500 62.828 1.672 1
1 152 . 14 1 1 A 29 29 PHE CB C 29 37.300 36.990 0.310 1
1 157 . 14 1 1 A 29 29 PHE N N 29 124.600 122.567 2.033 1
1 158 . 14 1 1 A 30 30 PRO HA H 30 4.150 4.005 0.145 1
1 163 . 14 1 1 A 30 30 PRO C C 30 176.600 178.750 -2.150 1
1 164 . 14 1 1 A 30 30 PRO CA C 30 65.600 65.756 -0.156 1
1 165 . 14 1 1 A 30 30 PRO CB C 30 31.400 30.864 0.536 1
1 168 . 14 1 1 A 31 31 TYR H H 31 7.540 7.846 -0.306 1
1 169 . 14 1 1 A 31 31 TYR HA H 31 4.600 4.226 0.374 1
1 176 . 14 1 1 A 31 31 TYR C C 31 176.500 175.563 0.937 1
1 177 . 14 1 1 A 31 31 TYR CA C 31 58.300 61.650 -3.350 1
1 178 . 14 1 1 A 31 31 TYR CB C 31 39.400 39.222 0.178 1
1 183 . 14 1 1 A 31 31 TYR N N 31 113.500 119.265 -5.765 1
1 184 . 14 1 1 A 32 32 SER H H 32 8.210 8.143 0.067 1
1 185 . 14 1 1 A 32 32 SER HA H 32 4.770 4.639 0.131 1
1 188 . 14 1 1 A 32 32 SER CA C 32 55.700 55.880 -0.180 1
1 189 . 14 1 1 A 32 32 SER CB C 32 63.200 65.219 -2.019 1
1 190 . 14 1 1 A 32 32 SER N N 32 111.700 113.134 -1.434 1
1 191 . 14 1 1 A 33 33 PRO HA H 33 4.250 4.485 -0.235 1
1 195 . 14 1 1 A 33 33 PRO C C 33 179.000 177.862 1.138 1
1 196 . 14 1 1 A 33 33 PRO CA C 33 65.400 65.406 -0.006 1
1 197 . 14 1 1 A 33 33 PRO CB C 33 33.000 31.807 1.193 1
1 200 . 14 1 1 A 34 34 GLU H H 34 8.390 8.033 0.357 1
1 201 . 14 1 1 A 34 34 GLU HA H 34 4.130 4.170 -0.040 1
1 204 . 14 1 1 A 34 34 GLU C C 34 178.700 179.257 -0.557 1
1 205 . 14 1 1 A 34 34 GLU CA C 34 59.900 59.633 0.267 1
1 206 . 14 1 1 A 34 34 GLU CB C 34 30.000 29.471 0.529 1
1 208 . 14 1 1 A 34 34 GLU N N 34 118.500 118.399 0.101 1
1 209 . 14 1 1 A 35 35 LEU H H 35 7.970 8.430 -0.460 1
1 210 . 14 1 1 A 35 35 LEU HA H 35 4.070 4.066 0.004 1
1 217 . 14 1 1 A 35 35 LEU CA C 35 57.400 58.123 -0.723 1
1 218 . 14 1 1 A 35 35 LEU CB C 35 42.200 41.823 0.377 1
1 221 . 14 1 1 A 35 35 LEU N N 35 122.000 120.940 1.060 1
1 222 . 14 1 1 A 36 36 ALA H H 36 7.860 8.474 -0.614 1
1 223 . 14 1 1 A 36 36 ALA HA H 36 4.040 4.271 -0.231 1
1 227 . 14 1 1 A 36 36 ALA C C 36 178.600 179.146 -0.546 1
1 228 . 14 1 1 A 36 36 ALA CA C 36 56.400 55.534 0.866 1
1 229 . 14 1 1 A 36 36 ALA CB C 36 19.500 18.681 0.819 1
1 230 . 14 1 1 A 36 36 ALA N N 36 121.000 122.053 -1.053 1
1 231 . 14 1 1 A 37 37 LYS H H 37 7.910 8.116 -0.206 1
1 232 . 14 1 1 A 37 37 LYS HA H 37 4.300 3.997 0.303 1
1 237 . 14 1 1 A 37 37 LYS C C 37 177.800 178.906 -1.106 1
1 238 . 14 1 1 A 37 37 LYS CA C 37 59.700 59.854 -0.154 1
1 239 . 14 1 1 A 37 37 LYS CB C 37 32.400 32.731 -0.331 1
1 243 . 14 1 1 A 37 37 LYS N N 37 117.700 118.242 -0.542 1
1 244 . 14 1 1 A 38 38 ARG H H 38 7.640 7.606 0.034 1
1 245 . 14 1 1 A 38 38 ARG HA H 38 4.090 3.988 0.102 1
1 251 . 14 1 1 A 38 38 ARG C C 38 179.600 178.784 0.816 1
1 252 . 14 1 1 A 38 38 ARG CA C 38 59.300 59.442 -0.142 1
1 253 . 14 1 1 A 38 38 ARG CB C 38 30.000 29.603 0.397 1
1 256 . 14 1 1 A 38 38 ARG N N 38 118.200 118.679 -0.479 1
1 257 . 14 1 1 A 39 39 TYR H H 39 7.860 8.079 -0.219 1
1 258 . 14 1 1 A 39 39 TYR HA H 39 4.290 4.375 -0.085 1
1 264 . 14 1 1 A 39 39 TYR C C 39 177.800 178.443 -0.643 1
1 265 . 14 1 1 A 39 39 TYR CA C 39 62.500 60.593 1.907 1
1 266 . 14 1 1 A 39 39 TYR CB C 39 38.300 37.783 0.517 1
1 271 . 14 1 1 A 39 39 TYR N N 39 119.200 119.765 -0.565 1
1 272 . 14 1 1 A 40 40 VAL H H 40 7.960 8.944 -0.984 1
1 273 . 14 1 1 A 40 40 VAL HA H 40 2.750 3.535 -0.785 1
1 281 . 14 1 1 A 40 40 VAL C C 40 177.800 177.623 0.177 1
1 282 . 14 1 1 A 40 40 VAL CA C 40 67.300 66.493 0.807 1
1 283 . 14 1 1 A 40 40 VAL CB C 40 31.400 31.403 -0.003 1
1 286 . 14 1 1 A 40 40 VAL N N 40 120.800 119.871 0.929 1
1 287 . 14 1 1 A 41 41 GLU H H 41 8.660 7.744 0.916 1
1 288 . 14 1 1 A 41 41 GLU HA H 41 3.680 3.862 -0.182 1
1 291 . 14 1 1 A 41 41 GLU C C 41 179.900 179.182 0.718 1
1 292 . 14 1 1 A 41 41 GLU CA C 41 60.500 59.328 1.172 1
1 293 . 14 1 1 A 41 41 GLU CB C 41 29.400 29.301 0.099 1
1 295 . 14 1 1 A 41 41 GLU N N 41 117.000 119.237 -2.237 1
1 296 . 14 1 1 A 42 42 LEU H H 42 7.960 7.731 0.229 1
1 297 . 14 1 1 A 42 42 LEU HA H 42 4.130 4.069 0.061 1
1 306 . 14 1 1 A 42 42 LEU C C 42 178.300 178.266 0.034 1
1 307 . 14 1 1 A 42 42 LEU CA C 42 58.000 57.801 0.199 1
1 308 . 14 1 1 A 42 42 LEU CB C 42 42.300 41.298 1.002 1
1 312 . 14 1 1 A 42 42 LEU N N 42 120.300 122.271 -1.971 1
1 313 . 14 1 1 A 43 43 ALA H H 43 8.040 7.900 0.140 1
1 314 . 14 1 1 A 43 43 ALA HA H 43 3.740 3.901 -0.161 1
1 318 . 14 1 1 A 43 43 ALA C C 43 179.400 179.906 -0.506 1
1 319 . 14 1 1 A 43 43 ALA CA C 43 55.700 55.217 0.483 1
1 320 . 14 1 1 A 43 43 ALA CB C 43 18.500 18.463 0.037 1
1 321 . 14 1 1 A 43 43 ALA N N 43 123.600 121.012 2.588 1
1 322 . 14 1 1 A 44 44 LEU H H 44 8.340 7.983 0.357 1
1 323 . 14 1 1 A 44 44 LEU HA H 44 4.070 3.809 0.261 1
1 333 . 14 1 1 A 44 44 LEU C C 44 180.000 179.298 0.702 1
1 334 . 14 1 1 A 44 44 LEU CA C 44 57.500 57.602 -0.102 1
1 335 . 14 1 1 A 44 44 LEU CB C 44 40.800 41.586 -0.786 1
1 339 . 14 1 1 A 44 44 LEU N N 44 116.800 118.314 -1.514 1
1 340 . 14 1 1 A 45 45 LEU H H 45 7.860 8.010 -0.150 1
1 341 . 14 1 1 A 45 45 LEU HA H 45 4.170 3.961 0.209 1
1 351 . 14 1 1 A 45 45 LEU C C 45 179.600 178.827 0.773 1
1 352 . 14 1 1 A 45 45 LEU CA C 45 58.400 58.042 0.358 1
1 353 . 14 1 1 A 45 45 LEU CB C 45 42.200 41.850 0.350 1
1 357 . 14 1 1 A 45 45 LEU N N 45 122.600 118.896 3.704 1
1 358 . 14 1 1 A 46 46 VAL H H 46 8.070 8.329 -0.259 1
1 359 . 14 1 1 A 46 46 VAL HA H 46 3.610 3.472 0.138 1
1 367 . 14 1 1 A 46 46 VAL CA C 46 66.800 66.629 0.171 1
1 368 . 14 1 1 A 46 46 VAL CB C 46 31.600 31.189 0.411 1
1 370 . 14 1 1 A 46 46 VAL N N 46 120.100 119.041 1.059 1
1 371 . 14 1 1 A 47 47 GLN H H 47 8.360 8.361 -0.001 1
1 372 . 14 1 1 A 47 47 GLN HA H 47 3.860 3.982 -0.122 1
1 378 . 14 1 1 A 47 47 GLN C C 47 178.000 178.075 -0.075 1
1 379 . 14 1 1 A 47 47 GLN CA C 47 60.200 59.239 0.961 1
1 380 . 14 1 1 A 47 47 GLN CB C 47 27.800 28.309 -0.509 1
1 382 . 14 1 1 A 47 47 GLN N N 47 120.000 119.494 0.506 1
1 384 . 14 1 1 A 48 48 GLN H H 48 8.110 8.149 -0.039 1
1 385 . 14 1 1 A 48 48 GLN HA H 48 4.080 4.041 0.039 1
1 392 . 14 1 1 A 48 48 GLN C C 48 178.500 178.215 0.285 1
1 393 . 14 1 1 A 48 48 GLN CA C 48 58.900 58.781 0.119 1
1 394 . 14 1 1 A 48 48 GLN CB C 48 29.400 28.306 1.094 1
1 396 . 14 1 1 A 48 48 GLN N N 48 117.600 117.352 0.248 1
1 398 . 14 1 1 A 49 49 LYS H H 49 8.110 7.715 0.395 1
1 399 . 14 1 1 A 49 49 LYS HA H 49 4.190 4.071 0.119 1
1 405 . 14 1 1 A 49 49 LYS C C 49 177.800 178.587 -0.787 1
1 406 . 14 1 1 A 49 49 LYS CA C 49 58.600 58.777 -0.177 1
1 407 . 14 1 1 A 49 49 LYS CB C 49 33.000 32.342 0.658 1
1 411 . 14 1 1 A 49 49 LYS N N 49 118.100 119.585 -1.485 1
1 412 . 14 1 1 A 50 50 ALA H H 50 8.240 8.460 -0.220 1
1 413 . 14 1 1 A 50 50 ALA HA H 50 4.460 4.325 0.135 1
1 417 . 14 1 1 A 50 50 ALA C C 50 176.700 177.203 -0.503 1
1 418 . 14 1 1 A 50 50 ALA CA C 50 52.700 52.539 0.161 1
1 419 . 14 1 1 A 50 50 ALA CB C 50 21.100 19.354 1.746 1
1 420 . 14 1 1 A 50 50 ALA N N 50 119.000 119.406 -0.406 1
1 421 . 14 1 1 A 51 51 LYS H H 51 8.000 7.950 0.050 1
1 422 . 14 1 1 A 51 51 LYS HA H 51 4.030 3.971 0.059 1
1 429 . 14 1 1 A 51 51 LYS C C 51 175.800 175.577 0.223 1
1 430 . 14 1 1 A 51 51 LYS CA C 51 57.500 57.153 0.347 1
1 431 . 14 1 1 A 51 51 LYS CB C 51 29.500 30.962 -1.462 1
1 435 . 14 1 1 A 51 51 LYS N N 51 114.500 117.631 -3.131 1
1 436 . 14 1 1 A 52 52 VAL H H 52 7.000 7.534 -0.534 1
1 437 . 14 1 1 A 52 52 VAL HA H 52 4.570 4.825 -0.255 1
1 445 . 14 1 1 A 52 52 VAL C C 52 175.000 174.839 0.161 1
1 446 . 14 1 1 A 52 52 VAL CA C 52 59.600 60.043 -0.443 1
1 447 . 14 1 1 A 52 52 VAL CB C 52 34.900 34.617 0.283 1
1 450 . 14 1 1 A 52 52 VAL N N 52 111.600 114.793 -3.193 1
1 451 . 14 1 1 A 53 53 LYS H H 53 8.150 8.662 -0.512 1
1 452 . 14 1 1 A 53 53 LYS HA H 53 4.510 4.512 -0.002 1
1 454 . 14 1 1 A 53 53 LYS C C 53 176.800 175.565 1.235 1
1 455 . 14 1 1 A 53 53 LYS CA C 53 55.700 56.488 -0.788 1
1 456 . 14 1 1 A 53 53 LYS CB C 53 34.000 33.206 0.794 1
1 457 . 14 1 1 A 53 53 LYS N N 53 120.800 124.541 -3.741 1
1 458 . 14 1 1 A 54 54 ILE H H 54 8.370 8.542 -0.172 1
1 459 . 14 1 1 A 54 54 ILE HA H 54 4.530 4.756 -0.226 1
1 469 . 14 1 1 A 54 54 ILE CA C 54 58.700 57.941 0.759 1
1 470 . 14 1 1 A 54 54 ILE CB C 54 38.400 40.241 -1.841 1
1 474 . 14 1 1 A 54 54 ILE N N 54 122.500 123.486 -0.986 1
1 475 . 14 1 1 A 57 57 LYS HA H 57 3.780 3.758 0.022 1
1 484 . 14 1 1 A 57 57 LYS C C 57 176.300 177.890 -1.590 1
1 485 . 14 1 1 A 57 57 LYS CA C 57 59.000 58.715 0.285 1
1 486 . 14 1 1 A 57 57 LYS CB C 57 32.300 31.953 0.347 1
1 490 . 14 1 1 A 58 58 TRP H H 58 7.250 7.435 -0.185 1
1 491 . 14 1 1 A 58 58 TRP HA H 58 4.850 4.426 0.424 1
1 500 . 14 1 1 A 58 58 TRP C C 58 176.800 177.155 -0.355 1
1 501 . 14 1 1 A 58 58 TRP CA C 58 55.400 58.327 -2.927 1
1 502 . 14 1 1 A 58 58 TRP CB C 58 31.300 30.995 0.305 1
1 508 . 14 1 1 A 58 58 TRP N N 58 116.300 117.336 -1.036 1
1 510 . 14 1 1 A 59 59 LYS H H 59 7.310 8.400 -1.090 1
1 511 . 14 1 1 A 59 59 LYS HA H 59 3.960 3.649 0.311 1
1 517 . 14 1 1 A 59 59 LYS CA C 59 60.600 59.054 1.546 1
1 518 . 14 1 1 A 59 59 LYS CB C 59 33.500 31.877 1.623 1
1 522 . 14 1 1 A 59 59 LYS N N 59 118.600 119.539 -0.939 1
1 523 . 14 1 1 A 60 60 ARG HA H 60 4.540 4.285 0.255 1
1 528 . 14 1 1 A 60 60 ARG C C 60 177.200 177.211 -0.011 1
1 529 . 14 1 1 A 60 60 ARG CA C 60 55.400 55.934 -0.534 1
1 530 . 14 1 1 A 60 60 ARG CB C 60 30.400 30.439 -0.039 1
1 533 . 14 1 1 A 61 61 ARG H H 61 7.620 7.025 0.595 1
1 534 . 14 1 1 A 61 61 ARG HA H 61 4.250 4.159 0.091 1
1 537 . 14 1 1 A 61 61 ARG C C 61 172.300 174.570 -2.270 1
1 538 . 14 1 1 A 61 61 ARG CA C 61 54.400 55.204 -0.804 1
1 539 . 14 1 1 A 61 61 ARG CB C 61 27.900 30.221 -2.321 1
1 541 . 14 1 1 A 61 61 ARG N N 61 116.000 116.701 -0.701 1
1 542 . 14 1 1 A 62 62 TYR H H 62 6.980 7.436 -0.456 1
1 543 . 14 1 1 A 62 62 TYR HA H 62 5.860 5.475 0.385 1
1 550 . 14 1 1 A 62 62 TYR C C 62 173.100 172.573 0.527 1
1 551 . 14 1 1 A 62 62 TYR CA C 62 55.000 55.863 -0.863 1
1 552 . 14 1 1 A 62 62 TYR CB C 62 43.000 41.475 1.525 1
1 557 . 14 1 1 A 62 62 TYR N N 62 112.300 116.210 -3.910 1
1 558 . 14 1 1 A 63 63 CYS H H 63 9.220 8.825 0.395 1
1 559 . 14 1 1 A 63 63 CYS HA H 63 4.280 4.570 -0.290 1
1 562 . 14 1 1 A 63 63 CYS C C 63 178.000 175.987 2.013 1
1 563 . 14 1 1 A 63 63 CYS CA C 63 59.900 59.397 0.503 1
1 564 . 14 1 1 A 63 63 CYS CB C 63 32.300 28.453 3.847 1
1 565 . 14 1 1 A 63 63 CYS N N 63 124.100 120.691 3.409 1
1 566 . 14 1 1 A 64 64 LYS H H 64 7.820 8.805 -0.985 1
1 567 . 14 1 1 A 64 64 LYS HA H 64 4.240 3.852 0.388 1
1 571 . 14 1 1 A 64 64 LYS C C 64 175.400 178.653 -3.253 1
1 572 . 14 1 1 A 64 64 LYS CA C 64 59.500 60.153 -0.653 1
1 573 . 14 1 1 A 64 64 LYS CB C 64 33.600 32.327 1.273 1
1 577 . 14 1 1 A 64 64 LYS N N 64 129.300 128.055 1.245 1
1 578 . 14 1 1 A 65 65 LYS H H 65 9.270 7.740 1.530 1
1 579 . 14 1 1 A 65 65 LYS HA H 65 4.250 3.902 0.348 1
1 586 . 14 1 1 A 65 65 LYS C C 65 176.300 178.536 -2.236 1
1 587 . 14 1 1 A 65 65 LYS CA C 65 58.500 58.705 -0.205 1
1 588 . 14 1 1 A 65 65 LYS CB C 65 33.700 32.600 1.100 1
1 592 . 14 1 1 A 65 65 LYS N N 65 122.500 119.899 2.601 1
1 593 . 14 1 1 A 66 66 CYS H H 66 9.190 7.703 1.487 1
1 594 . 14 1 1 A 66 66 CYS HA H 66 4.560 4.453 0.107 1
1 597 . 14 1 1 A 66 66 CYS C C 66 176.200 174.819 1.381 1
1 598 . 14 1 1 A 66 66 CYS CA C 66 59.700 62.716 -3.016 1
1 599 . 14 1 1 A 66 66 CYS CB C 66 32.200 28.013 4.187 1
1 600 . 14 1 1 A 66 66 CYS N N 66 121.200 117.614 3.586 1
1 601 . 14 1 1 A 67 67 HIS H H 67 7.700 7.606 0.094 1
1 602 . 14 1 1 A 67 67 HIS HA H 67 4.850 3.971 0.879 1
1 604 . 14 1 1 A 67 67 HIS C C 67 171.000 174.535 -3.535 1
1 605 . 14 1 1 A 67 67 HIS CA C 67 56.200 57.177 -0.977 1
1 606 . 14 1 1 A 67 67 HIS CB C 67 26.800 26.671 0.129 1
1 607 . 14 1 1 A 67 67 HIS N N 67 114.200 115.708 -1.508 1
1 608 . 14 1 1 A 68 68 ALA H H 68 8.720 7.857 0.863 1
1 609 . 14 1 1 A 68 68 ALA HA H 68 4.230 4.570 -0.340 1
1 613 . 14 1 1 A 68 68 ALA C C 68 177.800 177.002 0.798 1
1 614 . 14 1 1 A 68 68 ALA CA C 68 53.800 52.635 1.165 1
1 615 . 14 1 1 A 68 68 ALA CB C 68 19.800 20.063 -0.263 1
1 616 . 14 1 1 A 68 68 ALA N N 68 119.600 122.378 -2.778 1
1 617 . 14 1 1 A 69 69 PHE H H 69 8.500 8.979 -0.479 1
1 618 . 14 1 1 A 69 69 PHE HA H 69 4.590 5.067 -0.477 1
1 626 . 14 1 1 A 69 69 PHE C C 69 174.200 174.210 -0.010 1
1 627 . 14 1 1 A 69 69 PHE CA C 69 58.300 59.063 -0.763 1
1 628 . 14 1 1 A 69 69 PHE CB C 69 40.900 39.315 1.585 1
1 634 . 14 1 1 A 69 69 PHE N N 69 122.200 122.757 -0.557 1
1 635 . 14 1 1 A 70 70 LEU H H 70 7.550 9.232 -1.682 1
1 636 . 14 1 1 A 70 70 LEU HA H 70 4.540 5.090 -0.550 1
1 645 . 14 1 1 A 70 70 LEU C C 70 176.000 175.255 0.745 1
1 646 . 14 1 1 A 70 70 LEU CA C 70 53.700 53.727 -0.027 1
1 647 . 14 1 1 A 70 70 LEU CB C 70 43.600 43.187 0.413 1
1 651 . 14 1 1 A 70 70 LEU N N 70 124.700 129.429 -4.729 1
1 652 . 14 1 1 A 71 71 VAL H H 71 9.700 8.709 0.991 1
1 653 . 14 1 1 A 71 71 VAL HA H 71 4.140 4.566 -0.426 1
1 661 . 14 1 1 A 71 71 VAL CA C 71 59.600 59.250 0.350 1
1 662 . 14 1 1 A 71 71 VAL CB C 71 34.000 36.071 -2.071 1
1 665 . 14 1 1 A 71 71 VAL N N 71 125.800 126.496 -0.696 1
1 666 . 14 1 1 A 72 72 PRO HA H 72 4.170 4.588 -0.418 1
1 673 . 14 1 1 A 72 72 PRO C C 72 176.200 177.364 -1.164 1
1 674 . 14 1 1 A 72 72 PRO CA C 72 64.100 63.732 0.368 1
1 675 . 14 1 1 A 72 72 PRO CB C 72 32.200 31.669 0.531 1
1 678 . 14 1 1 A 73 73 GLY H H 73 8.500 9.346 -0.846 1
1 679 . 14 1 1 A 73 73 GLY HA2 H 73 3.860 3.870 -0.010 1
1 680 . 14 1 1 A 73 73 GLY HA3 H 73 4.550 3.871 0.679 1
1 681 . 14 1 1 A 73 73 GLY CA C 73 45.700 45.399 0.301 1
1 682 . 14 1 1 A 73 73 GLY N N 73 112.200 111.182 1.018 1
1 683 . 14 1 1 A 74 74 ILE H H 74 8.360 7.528 0.832 1
1 684 . 14 1 1 A 74 74 ILE HA H 74 4.580 4.046 0.534 1
1 694 . 14 1 1 A 74 74 ILE C C 74 175.700 177.356 -1.656 1
1 695 . 14 1 1 A 74 74 ILE CA C 74 62.700 62.739 -0.039 1
1 696 . 14 1 1 A 74 74 ILE CB C 74 38.400 38.386 0.014 1
1 700 . 14 1 1 A 74 74 ILE N N 74 120.200 119.994 0.206 1
1 701 . 14 1 1 A 75 75 ASN H H 75 8.470 8.090 0.380 1
1 702 . 14 1 1 A 75 75 ASN HA H 75 4.970 4.825 0.145 1
1 706 . 14 1 1 A 75 75 ASN C C 75 172.900 174.526 -1.626 1
1 707 . 14 1 1 A 75 75 ASN CA C 75 52.600 52.567 0.033 1
1 708 . 14 1 1 A 75 75 ASN CB C 75 38.600 38.844 -0.244 1
1 709 . 14 1 1 A 75 75 ASN N N 75 116.400 114.889 1.511 1
1 711 . 14 1 1 A 76 76 ALA H H 76 7.250 7.659 -0.409 1
1 712 . 14 1 1 A 76 76 ALA HA H 76 5.510 5.117 0.393 1
1 716 . 14 1 1 A 76 76 ALA C C 76 176.200 175.097 1.103 1
1 717 . 14 1 1 A 76 76 ALA CA C 76 50.400 51.548 -1.148 1
1 718 . 14 1 1 A 76 76 ALA CB C 76 23.200 23.057 0.143 1
1 719 . 14 1 1 A 76 76 ALA N N 76 117.400 119.623 -2.223 1
1 720 . 14 1 1 A 77 77 ARG H H 77 8.850 8.875 -0.025 1
1 721 . 14 1 1 A 77 77 ARG HA H 77 4.950 5.173 -0.223 1
1 728 . 14 1 1 A 77 77 ARG CA C 77 54.800 54.555 0.245 1
1 729 . 14 1 1 A 77 77 ARG CB C 77 33.700 34.091 -0.391 1
1 732 . 14 1 1 A 77 77 ARG N N 77 123.000 122.259 0.741 1
1 733 . 14 1 1 A 78 78 VAL H H 78 8.920 9.028 -0.108 1
1 734 . 14 1 1 A 78 78 VAL HA H 78 4.730 5.504 -0.774 1
1 742 . 14 1 1 A 78 78 VAL CA C 78 61.400 59.704 1.696 1
1 743 . 14 1 1 A 78 78 VAL CB C 78 34.400 34.639 -0.239 1
1 746 . 14 1 1 A 78 78 VAL N N 78 127.400 124.551 2.849 1
1 747 . 14 1 1 A 79 79 ARG H H 79 9.000 8.721 0.279 1
1 748 . 14 1 1 A 79 79 ARG HA H 79 4.750 4.859 -0.109 1
1 754 . 14 1 1 A 79 79 ARG CA C 79 54.400 55.161 -0.761 1
1 755 . 14 1 1 A 79 79 ARG CB C 79 34.300 32.546 1.754 1
1 758 . 14 1 1 A 79 79 ARG N N 79 126.400 127.985 -1.585 1
1 759 . 14 1 1 A 80 80 LEU H H 80 8.480 9.271 -0.791 1
1 760 . 14 1 1 A 80 80 LEU HA H 80 4.690 5.103 -0.413 1
1 770 . 14 1 1 A 80 80 LEU CA C 80 54.600 53.593 1.007 1
1 771 . 14 1 1 A 80 80 LEU CB C 80 43.500 42.891 0.609 1
1 775 . 14 1 1 A 80 80 LEU N N 80 124.700 124.841 -0.141 1
1 776 . 14 1 1 A 81 81 ARG H H 81 8.800 9.410 -0.610 1
1 777 . 14 1 1 A 81 81 ARG HA H 81 4.540 4.896 -0.356 1
1 781 . 14 1 1 A 81 81 ARG CA C 81 54.600 54.431 0.169 1
1 782 . 14 1 1 A 81 81 ARG CB C 81 31.600 32.984 -1.384 1
1 785 . 14 1 1 A 81 81 ARG N N 81 126.100 124.540 1.560 1
1 786 . 14 1 1 A 86 86 PRO HA H 86 4.700 4.670 0.030 1
1 792 . 14 1 1 A 86 86 PRO C C 86 176.400 175.980 0.420 1
1 793 . 14 1 1 A 86 86 PRO CA C 86 64.000 62.661 1.339 1
1 794 . 14 1 1 A 86 86 PRO CB C 86 32.600 32.507 0.093 1
1 796 . 14 1 1 A 87 87 HIS H H 87 8.560 8.159 0.401 1
1 797 . 14 1 1 A 87 87 HIS HA H 87 5.140 5.083 0.057 1
1 800 . 14 1 1 A 87 87 HIS C C 87 172.600 174.365 -1.765 1
1 801 . 14 1 1 A 87 87 HIS CA C 87 56.000 54.935 1.065 1
1 802 . 14 1 1 A 87 87 HIS CB C 87 32.400 33.949 -1.549 1
1 803 . 14 1 1 A 87 87 HIS N N 87 118.700 121.277 -2.577 1
1 804 . 14 1 1 A 88 88 ILE H H 88 9.250 8.840 0.410 1
1 805 . 14 1 1 A 88 88 ILE HA H 88 4.710 5.325 -0.615 1
1 815 . 14 1 1 A 88 88 ILE CA C 88 60.200 59.287 0.913 1
1 816 . 14 1 1 A 88 88 ILE CB C 88 40.600 42.158 -1.558 1
1 820 . 14 1 1 A 88 88 ILE N N 88 120.600 117.357 3.243 1
1 821 . 14 1 1 A 89 89 VAL H H 89 9.050 9.066 -0.016 1
1 822 . 14 1 1 A 89 89 VAL HA H 89 4.800 5.115 -0.315 1
1 830 . 14 1 1 A 89 89 VAL C C 89 175.000 174.695 0.305 1
1 831 . 14 1 1 A 89 89 VAL CA C 89 61.400 60.089 1.311 1
1 832 . 14 1 1 A 89 89 VAL CB C 89 34.400 34.250 0.150 1
1 835 . 14 1 1 A 90 90 VAL H H 90 9.340 9.819 -0.479 1
1 836 . 14 1 1 A 90 90 VAL HA H 90 5.160 5.244 -0.084 1
1 844 . 14 1 1 A 90 90 VAL C C 90 173.600 175.210 -1.610 1
1 845 . 14 1 1 A 90 90 VAL CA C 90 61.400 60.847 0.553 1
1 846 . 14 1 1 A 90 90 VAL CB C 90 34.100 34.487 -0.387 1
1 849 . 14 1 1 A 90 90 VAL N N 90 128.000 125.409 2.591 1
1 850 . 14 1 1 A 91 91 LYS H H 91 9.030 8.973 0.057 1
1 851 . 14 1 1 A 91 91 LYS HA H 91 5.160 5.373 -0.213 1
1 858 . 14 1 1 A 91 91 LYS C C 91 175.300 174.648 0.652 1
1 859 . 14 1 1 A 91 91 LYS CA C 91 54.100 54.589 -0.489 1
1 860 . 14 1 1 A 91 91 LYS CB C 91 36.600 35.563 1.037 1
1 864 . 14 1 1 A 91 91 LYS N N 91 128.100 124.533 3.567 1
1 865 . 14 1 1 A 92 92 CYS H H 92 9.050 8.676 0.374 1
1 866 . 14 1 1 A 92 92 CYS HA H 92 4.950 5.163 -0.213 1
1 869 . 14 1 1 A 92 92 CYS C C 92 177.300 175.636 1.664 1
1 870 . 14 1 1 A 92 92 CYS CA C 92 59.600 57.041 2.559 1
1 871 . 14 1 1 A 92 92 CYS CB C 92 32.600 30.657 1.943 1
1 872 . 14 1 1 A 92 92 CYS N N 92 129.900 122.942 6.958 1
1 873 . 14 1 1 A 93 93 LEU H H 93 8.910 9.712 -0.802 1
1 874 . 14 1 1 A 93 93 LEU HA H 93 4.480 3.970 0.510 1
1 884 . 14 1 1 A 93 93 LEU C C 93 178.100 178.400 -0.300 1
1 885 . 14 1 1 A 93 93 LEU CA C 93 55.300 58.270 -2.970 1
1 886 . 14 1 1 A 93 93 LEU CB C 93 40.500 41.501 -1.001 1
1 890 . 14 1 1 A 93 93 LEU N N 93 127.300 129.777 -2.477 1
1 891 . 14 1 1 A 94 94 GLU H H 94 9.460 8.302 1.158 1
1 892 . 14 1 1 A 94 94 GLU HA H 94 4.420 4.022 0.398 1
1 897 . 14 1 1 A 94 94 GLU C C 94 178.400 179.220 -0.820 1
1 898 . 14 1 1 A 94 94 GLU CA C 94 59.700 59.553 0.147 1
1 899 . 14 1 1 A 94 94 GLU CB C 94 29.900 29.272 0.628 1
1 901 . 14 1 1 A 94 94 GLU N N 94 122.900 118.397 4.503 1
1 902 . 14 1 1 A 95 95 CYS H H 95 9.110 7.524 1.586 1
1 903 . 14 1 1 A 95 95 CYS HA H 95 5.140 4.515 0.625 1
1 906 . 14 1 1 A 95 95 CYS C C 95 176.900 175.937 0.963 1
1 907 . 14 1 1 A 95 95 CYS CA C 95 58.900 60.111 -1.211 1
1 908 . 14 1 1 A 95 95 CYS CB C 95 33.600 28.867 4.733 1
1 909 . 14 1 1 A 95 95 CYS N N 95 119.200 115.003 4.197 1
1 910 . 14 1 1 A 96 96 GLY H H 96 8.000 8.785 -0.785 1
1 911 . 14 1 1 A 96 96 GLY HA2 H 96 3.850 3.773 0.077 1
1 912 . 14 1 1 A 96 96 GLY C C 96 174.100 173.714 0.386 1
1 913 . 14 1 1 A 96 96 GLY CA C 96 46.500 45.876 0.624 1
1 914 . 14 1 1 A 96 96 GLY N N 96 115.300 111.010 4.290 1
1 915 . 14 1 1 A 97 97 HIS H H 97 9.310 7.419 1.891 1
1 916 . 14 1 1 A 97 97 HIS HA H 97 4.500 5.014 -0.514 1
1 919 . 14 1 1 A 97 97 HIS C C 97 173.200 173.180 0.020 1
1 920 . 14 1 1 A 97 97 HIS CA C 97 58.600 54.925 3.675 1
1 921 . 14 1 1 A 97 97 HIS CB C 97 33.000 33.351 -0.351 1
1 922 . 14 1 1 A 97 97 HIS N N 97 125.300 117.100 8.200 1
1 923 . 14 1 1 A 98 98 ILE H H 98 6.890 8.780 -1.890 1
1 924 . 14 1 1 A 98 98 ILE HA H 98 4.760 5.180 -0.420 1
1 934 . 14 1 1 A 98 98 ILE C C 98 175.000 174.022 0.978 1
1 935 . 14 1 1 A 98 98 ILE CA C 98 60.000 59.608 0.392 1
1 936 . 14 1 1 A 98 98 ILE CB C 98 40.200 40.789 -0.589 1
1 940 . 14 1 1 A 98 98 ILE N N 98 123.600 122.644 0.956 1
1 941 . 14 1 1 A 99 99 MET H H 99 9.050 9.845 -0.795 1
1 942 . 14 1 1 A 99 99 MET HA H 99 4.630 5.177 -0.547 1
1 950 . 14 1 1 A 99 99 MET C C 99 173.100 174.174 -1.074 1
1 951 . 14 1 1 A 99 99 MET CA C 99 54.400 54.012 0.388 1
1 952 . 14 1 1 A 99 99 MET CB C 99 37.900 36.165 1.735 1
1 955 . 14 1 1 A 99 99 MET N N 99 126.400 127.317 -0.917 1
1 956 . 14 1 1 A 100 100 ARG H H 100 7.930 8.545 -0.615 1
1 957 . 14 1 1 A 100 100 ARG HA H 100 5.370 4.903 0.467 1
1 963 . 14 1 1 A 100 100 ARG C C 100 175.200 174.045 1.155 1
1 964 . 14 1 1 A 100 100 ARG CA C 100 54.700 54.433 0.267 1
1 965 . 14 1 1 A 100 100 ARG CB C 100 33.600 32.948 0.652 1
1 968 . 14 1 1 A 100 100 ARG N N 100 120.200 123.303 -3.103 1
1 969 . 14 1 1 A 101 101 TYR H H 101 9.110 8.968 0.142 1
1 970 . 14 1 1 A 101 101 TYR HA H 101 5.130 4.982 0.148 1
1 977 . 14 1 1 A 101 101 TYR CA C 101 55.300 54.836 0.464 1
1 978 . 14 1 1 A 101 101 TYR CB C 101 40.900 39.087 1.813 1
1 983 . 14 1 1 A 101 101 TYR N N 101 121.100 126.418 -5.318 1
1 1 . 15 1 1 A 18 18 ILE HA H 18 3.610 4.065 -0.455 1
1 11 . 15 1 1 A 18 18 ILE C C 18 176.800 177.658 -0.858 1
1 12 . 15 1 1 A 18 18 ILE CA C 18 66.700 63.022 3.678 1
1 13 . 15 1 1 A 18 18 ILE CB C 18 38.600 37.856 0.744 1
1 17 . 15 1 1 A 19 19 ASP H H 19 8.050 7.967 0.083 1
1 18 . 15 1 1 A 19 19 ASP HA H 19 4.580 4.457 0.123 1
1 21 . 15 1 1 A 19 19 ASP CA C 19 58.200 57.925 0.275 1
1 22 . 15 1 1 A 19 19 ASP CB C 19 42.500 41.720 0.780 1
1 23 . 15 1 1 A 19 19 ASP N N 19 119.100 121.674 -2.574 1
1 24 . 15 1 1 A 20 20 ILE H H 20 8.240 7.761 0.479 1
1 25 . 15 1 1 A 20 20 ILE HA H 20 3.730 3.756 -0.026 1
1 35 . 15 1 1 A 20 20 ILE CA C 20 65.000 65.539 -0.539 1
1 36 . 15 1 1 A 20 20 ILE CB C 20 38.300 37.714 0.586 1
1 40 . 15 1 1 A 20 20 ILE N N 20 120.400 119.980 0.420 1
1 41 . 15 1 1 A 21 21 LEU H H 21 7.870 7.990 -0.120 1
1 42 . 15 1 1 A 21 21 LEU HA H 21 4.440 4.043 0.397 1
1 49 . 15 1 1 A 21 21 LEU C C 21 178.700 179.385 -0.685 1
1 50 . 15 1 1 A 21 21 LEU CA C 21 59.800 58.198 1.602 1
1 51 . 15 1 1 A 21 21 LEU CB C 21 42.200 41.968 0.232 1
1 54 . 15 1 1 A 21 21 LEU N N 21 121.100 118.906 2.194 1
1 55 . 15 1 1 A 22 22 PHE H H 22 7.820 8.742 -0.922 1
1 56 . 15 1 1 A 22 22 PHE HA H 22 3.480 4.371 -0.891 1
1 63 . 15 1 1 A 22 22 PHE C C 22 177.300 177.991 -0.691 1
1 64 . 15 1 1 A 22 22 PHE CA C 22 63.100 62.123 0.977 1
1 65 . 15 1 1 A 22 22 PHE CB C 22 36.400 39.239 -2.839 1
1 70 . 15 1 1 A 22 22 PHE N N 22 116.900 119.789 -2.889 1
1 71 . 15 1 1 A 23 23 SER H H 23 7.940 8.349 -0.409 1
1 72 . 15 1 1 A 23 23 SER HA H 23 4.520 4.091 0.429 1
1 75 . 15 1 1 A 23 23 SER C C 23 177.300 176.103 1.197 1
1 76 . 15 1 1 A 23 23 SER CA C 23 63.500 61.814 1.686 1
1 77 . 15 1 1 A 23 23 SER CB C 23 62.900 63.040 -0.140 1
1 78 . 15 1 1 A 23 23 SER N N 23 114.400 115.240 -0.840 1
1 79 . 15 1 1 A 24 24 LEU H H 24 8.050 8.236 -0.186 1
1 80 . 15 1 1 A 24 24 LEU HA H 24 3.820 4.029 -0.209 1
1 89 . 15 1 1 A 24 24 LEU C C 24 178.200 178.908 -0.708 1
1 90 . 15 1 1 A 24 24 LEU CA C 24 58.100 57.588 0.512 1
1 91 . 15 1 1 A 24 24 LEU CB C 24 40.700 41.636 -0.936 1
1 95 . 15 1 1 A 24 24 LEU N N 24 124.700 121.400 3.300 1
1 96 . 15 1 1 A 25 25 ALA H H 25 7.590 8.946 -1.356 1
1 97 . 15 1 1 A 25 25 ALA HA H 25 3.820 3.995 -0.175 1
1 101 . 15 1 1 A 25 25 ALA C C 25 177.700 179.455 -1.755 1
1 102 . 15 1 1 A 25 25 ALA CA C 25 55.800 55.653 0.147 1
1 103 . 15 1 1 A 25 25 ALA CB C 25 18.400 18.173 0.227 1
1 104 . 15 1 1 A 25 25 ALA N N 25 122.400 122.215 0.185 1
1 105 . 15 1 1 A 26 26 GLU H H 26 7.690 7.883 -0.193 1
1 106 . 15 1 1 A 26 26 GLU HA H 26 4.270 3.783 0.487 1
1 111 . 15 1 1 A 26 26 GLU C C 26 178.600 178.427 0.173 1
1 112 . 15 1 1 A 26 26 GLU CA C 26 60.000 58.963 1.037 1
1 113 . 15 1 1 A 26 26 GLU CB C 26 31.100 29.011 2.089 1
1 115 . 15 1 1 A 26 26 GLU N N 26 116.000 118.920 -2.920 1
1 116 . 15 1 1 A 27 27 ARG H H 27 7.670 7.452 0.218 1
1 117 . 15 1 1 A 27 27 ARG HA H 27 4.190 4.084 0.106 1
1 122 . 15 1 1 A 27 27 ARG C C 27 178.400 178.241 0.159 1
1 123 . 15 1 1 A 27 27 ARG CA C 27 58.800 58.646 0.154 1
1 124 . 15 1 1 A 27 27 ARG CB C 27 30.700 29.816 0.884 1
1 127 . 15 1 1 A 27 27 ARG N N 27 116.700 120.542 -3.842 1
1 128 . 15 1 1 A 28 28 VAL H H 28 8.230 7.813 0.417 1
1 129 . 15 1 1 A 28 28 VAL HA H 28 4.530 3.779 0.751 1
1 137 . 15 1 1 A 28 28 VAL C C 28 176.500 178.032 -1.532 1
1 138 . 15 1 1 A 28 28 VAL CA C 28 62.600 65.011 -2.411 1
1 139 . 15 1 1 A 28 28 VAL CB C 28 33.000 31.302 1.698 1
1 142 . 15 1 1 A 28 28 VAL N N 28 112.600 118.571 -5.971 1
1 143 . 15 1 1 A 29 29 PHE H H 29 8.020 8.115 -0.095 1
1 144 . 15 1 1 A 29 29 PHE HA H 29 3.960 4.255 -0.295 1
1 151 . 15 1 1 A 29 29 PHE CA C 29 64.500 62.655 1.845 1
1 152 . 15 1 1 A 29 29 PHE CB C 29 37.300 36.841 0.459 1
1 157 . 15 1 1 A 29 29 PHE N N 29 124.600 122.475 2.125 1
1 158 . 15 1 1 A 30 30 PRO HA H 30 4.150 3.968 0.182 1
1 163 . 15 1 1 A 30 30 PRO C C 30 176.600 178.754 -2.154 1
1 164 . 15 1 1 A 30 30 PRO CA C 30 65.600 65.709 -0.109 1
1 165 . 15 1 1 A 30 30 PRO CB C 30 31.400 30.710 0.690 1
1 168 . 15 1 1 A 31 31 TYR H H 31 7.540 7.947 -0.407 1
1 169 . 15 1 1 A 31 31 TYR HA H 31 4.600 4.188 0.412 1
1 176 . 15 1 1 A 31 31 TYR C C 31 176.500 175.305 1.195 1
1 177 . 15 1 1 A 31 31 TYR CA C 31 58.300 61.481 -3.181 1
1 178 . 15 1 1 A 31 31 TYR CB C 31 39.400 39.174 0.226 1
1 183 . 15 1 1 A 31 31 TYR N N 31 113.500 119.032 -5.532 1
1 184 . 15 1 1 A 32 32 SER H H 32 8.210 8.507 -0.297 1
1 185 . 15 1 1 A 32 32 SER HA H 32 4.770 4.756 0.014 1
1 188 . 15 1 1 A 32 32 SER CA C 32 55.700 55.762 -0.062 1
1 189 . 15 1 1 A 32 32 SER CB C 32 63.200 66.021 -2.821 1
1 190 . 15 1 1 A 32 32 SER N N 32 111.700 111.943 -0.243 1
1 191 . 15 1 1 A 33 33 PRO HA H 33 4.250 4.486 -0.236 1
1 195 . 15 1 1 A 33 33 PRO C C 33 179.000 178.949 0.051 1
1 196 . 15 1 1 A 33 33 PRO CA C 33 65.400 65.451 -0.051 1
1 197 . 15 1 1 A 33 33 PRO CB C 33 33.000 31.782 1.218 1
1 200 . 15 1 1 A 34 34 GLU H H 34 8.390 8.234 0.156 1
1 201 . 15 1 1 A 34 34 GLU HA H 34 4.130 4.154 -0.024 1
1 204 . 15 1 1 A 34 34 GLU C C 34 178.700 179.587 -0.887 1
1 205 . 15 1 1 A 34 34 GLU CA C 34 59.900 59.418 0.482 1
1 206 . 15 1 1 A 34 34 GLU CB C 34 30.000 29.268 0.732 1
1 208 . 15 1 1 A 34 34 GLU N N 34 118.500 117.896 0.604 1
1 209 . 15 1 1 A 35 35 LEU H H 35 7.970 8.415 -0.445 1
1 210 . 15 1 1 A 35 35 LEU HA H 35 4.070 4.137 -0.067 1
1 217 . 15 1 1 A 35 35 LEU CA C 35 57.400 58.073 -0.673 1
1 218 . 15 1 1 A 35 35 LEU CB C 35 42.200 41.699 0.501 1
1 221 . 15 1 1 A 35 35 LEU N N 35 122.000 120.635 1.365 1
1 222 . 15 1 1 A 36 36 ALA H H 36 7.860 8.451 -0.591 1
1 223 . 15 1 1 A 36 36 ALA HA H 36 4.040 4.030 0.010 1
1 227 . 15 1 1 A 36 36 ALA C C 36 178.600 179.155 -0.555 1
1 228 . 15 1 1 A 36 36 ALA CA C 36 56.400 55.320 1.080 1
1 229 . 15 1 1 A 36 36 ALA CB C 36 19.500 18.548 0.952 1
1 230 . 15 1 1 A 36 36 ALA N N 36 121.000 121.823 -0.823 1
1 231 . 15 1 1 A 37 37 LYS H H 37 7.910 8.219 -0.309 1
1 232 . 15 1 1 A 37 37 LYS HA H 37 4.300 3.926 0.374 1
1 237 . 15 1 1 A 37 37 LYS C C 37 177.800 179.006 -1.206 1
1 238 . 15 1 1 A 37 37 LYS CA C 37 59.700 59.842 -0.142 1
1 239 . 15 1 1 A 37 37 LYS CB C 37 32.400 32.672 -0.272 1
1 243 . 15 1 1 A 37 37 LYS N N 37 117.700 118.204 -0.504 1
1 244 . 15 1 1 A 38 38 ARG H H 38 7.640 7.608 0.032 1
1 245 . 15 1 1 A 38 38 ARG HA H 38 4.090 4.064 0.026 1
1 251 . 15 1 1 A 38 38 ARG C C 38 179.600 178.864 0.736 1
1 252 . 15 1 1 A 38 38 ARG CA C 38 59.300 59.577 -0.277 1
1 253 . 15 1 1 A 38 38 ARG CB C 38 30.000 29.896 0.104 1
1 256 . 15 1 1 A 38 38 ARG N N 38 118.200 118.748 -0.548 1
1 257 . 15 1 1 A 39 39 TYR H H 39 7.860 8.273 -0.413 1
1 258 . 15 1 1 A 39 39 TYR HA H 39 4.290 4.395 -0.105 1
1 264 . 15 1 1 A 39 39 TYR C C 39 177.800 178.513 -0.713 1
1 265 . 15 1 1 A 39 39 TYR CA C 39 62.500 60.414 2.086 1
1 266 . 15 1 1 A 39 39 TYR CB C 39 38.300 38.010 0.290 1
1 271 . 15 1 1 A 39 39 TYR N N 39 119.200 119.726 -0.526 1
1 272 . 15 1 1 A 40 40 VAL H H 40 7.960 8.553 -0.593 1
1 273 . 15 1 1 A 40 40 VAL HA H 40 2.750 3.542 -0.792 1
1 281 . 15 1 1 A 40 40 VAL C C 40 177.800 177.624 0.176 1
1 282 . 15 1 1 A 40 40 VAL CA C 40 67.300 66.478 0.822 1
1 283 . 15 1 1 A 40 40 VAL CB C 40 31.400 31.353 0.047 1
1 286 . 15 1 1 A 40 40 VAL N N 40 120.800 119.683 1.117 1
1 287 . 15 1 1 A 41 41 GLU H H 41 8.660 8.109 0.551 1
1 288 . 15 1 1 A 41 41 GLU HA H 41 3.680 3.913 -0.233 1
1 291 . 15 1 1 A 41 41 GLU C C 41 179.900 179.039 0.861 1
1 292 . 15 1 1 A 41 41 GLU CA C 41 60.500 59.323 1.177 1
1 293 . 15 1 1 A 41 41 GLU CB C 41 29.400 29.206 0.194 1
1 295 . 15 1 1 A 41 41 GLU N N 41 117.000 119.527 -2.527 1
1 296 . 15 1 1 A 42 42 LEU H H 42 7.960 7.786 0.174 1
1 297 . 15 1 1 A 42 42 LEU HA H 42 4.130 4.061 0.069 1
1 306 . 15 1 1 A 42 42 LEU C C 42 178.300 178.245 0.055 1
1 307 . 15 1 1 A 42 42 LEU CA C 42 58.000 57.753 0.247 1
1 308 . 15 1 1 A 42 42 LEU CB C 42 42.300 41.294 1.006 1
1 312 . 15 1 1 A 42 42 LEU N N 42 120.300 122.167 -1.867 1
1 313 . 15 1 1 A 43 43 ALA H H 43 8.040 7.580 0.460 1
1 314 . 15 1 1 A 43 43 ALA HA H 43 3.740 3.940 -0.200 1
1 318 . 15 1 1 A 43 43 ALA C C 43 179.400 179.953 -0.553 1
1 319 . 15 1 1 A 43 43 ALA CA C 43 55.700 55.296 0.404 1
1 320 . 15 1 1 A 43 43 ALA CB C 43 18.500 18.517 -0.017 1
1 321 . 15 1 1 A 43 43 ALA N N 43 123.600 120.930 2.670 1
1 322 . 15 1 1 A 44 44 LEU H H 44 8.340 8.090 0.250 1
1 323 . 15 1 1 A 44 44 LEU HA H 44 4.070 3.799 0.271 1
1 333 . 15 1 1 A 44 44 LEU C C 44 180.000 179.300 0.700 1
1 334 . 15 1 1 A 44 44 LEU CA C 44 57.500 57.597 -0.097 1
1 335 . 15 1 1 A 44 44 LEU CB C 44 40.800 41.544 -0.744 1
1 339 . 15 1 1 A 44 44 LEU N N 44 116.800 118.293 -1.493 1
1 340 . 15 1 1 A 45 45 LEU H H 45 7.860 7.908 -0.048 1
1 341 . 15 1 1 A 45 45 LEU HA H 45 4.170 3.864 0.306 1
1 351 . 15 1 1 A 45 45 LEU C C 45 179.600 178.523 1.077 1
1 352 . 15 1 1 A 45 45 LEU CA C 45 58.400 58.043 0.357 1
1 353 . 15 1 1 A 45 45 LEU CB C 45 42.200 41.213 0.987 1
1 357 . 15 1 1 A 45 45 LEU N N 45 122.600 120.264 2.336 1
1 358 . 15 1 1 A 46 46 VAL H H 46 8.070 8.286 -0.216 1
1 359 . 15 1 1 A 46 46 VAL HA H 46 3.610 3.465 0.145 1
1 367 . 15 1 1 A 46 46 VAL CA C 46 66.800 66.593 0.207 1
1 368 . 15 1 1 A 46 46 VAL CB C 46 31.600 31.154 0.446 1
1 370 . 15 1 1 A 46 46 VAL N N 46 120.100 118.859 1.241 1
1 371 . 15 1 1 A 47 47 GLN H H 47 8.360 8.054 0.306 1
1 372 . 15 1 1 A 47 47 GLN HA H 47 3.860 3.977 -0.117 1
1 378 . 15 1 1 A 47 47 GLN C C 47 178.000 177.997 0.003 1
1 379 . 15 1 1 A 47 47 GLN CA C 47 60.200 59.306 0.894 1
1 380 . 15 1 1 A 47 47 GLN CB C 47 27.800 28.259 -0.459 1
1 382 . 15 1 1 A 47 47 GLN N N 47 120.000 119.479 0.521 1
1 384 . 15 1 1 A 48 48 GLN H H 48 8.110 8.010 0.100 1
1 385 . 15 1 1 A 48 48 GLN HA H 48 4.080 4.017 0.063 1
1 392 . 15 1 1 A 48 48 GLN C C 48 178.500 178.217 0.283 1
1 393 . 15 1 1 A 48 48 GLN CA C 48 58.900 58.781 0.119 1
1 394 . 15 1 1 A 48 48 GLN CB C 48 29.400 28.384 1.016 1
1 396 . 15 1 1 A 48 48 GLN N N 48 117.600 117.343 0.257 1
1 398 . 15 1 1 A 49 49 LYS H H 49 8.110 7.529 0.581 1
1 399 . 15 1 1 A 49 49 LYS HA H 49 4.190 4.009 0.181 1
1 405 . 15 1 1 A 49 49 LYS C C 49 177.800 179.285 -1.485 1
1 406 . 15 1 1 A 49 49 LYS CA C 49 58.600 59.250 -0.650 1
1 407 . 15 1 1 A 49 49 LYS CB C 49 33.000 32.134 0.866 1
1 411 . 15 1 1 A 49 49 LYS N N 49 118.100 119.544 -1.444 1
1 412 . 15 1 1 A 50 50 ALA H H 50 8.240 8.322 -0.082 1
1 413 . 15 1 1 A 50 50 ALA HA H 50 4.460 4.314 0.146 1
1 417 . 15 1 1 A 50 50 ALA C C 50 176.700 176.543 0.157 1
1 418 . 15 1 1 A 50 50 ALA CA C 50 52.700 52.639 0.061 1
1 419 . 15 1 1 A 50 50 ALA CB C 50 21.100 19.369 1.731 1
1 420 . 15 1 1 A 50 50 ALA N N 50 119.000 119.316 -0.316 1
1 421 . 15 1 1 A 51 51 LYS H H 51 8.000 7.613 0.387 1
1 422 . 15 1 1 A 51 51 LYS HA H 51 4.030 3.788 0.242 1
1 429 . 15 1 1 A 51 51 LYS C C 51 175.800 174.633 1.167 1
1 430 . 15 1 1 A 51 51 LYS CA C 51 57.500 57.206 0.294 1
1 431 . 15 1 1 A 51 51 LYS CB C 51 29.500 29.413 0.087 1
1 435 . 15 1 1 A 51 51 LYS N N 51 114.500 115.252 -0.752 1
1 436 . 15 1 1 A 52 52 VAL H H 52 7.000 7.328 -0.328 1
1 437 . 15 1 1 A 52 52 VAL HA H 52 4.570 4.795 -0.225 1
1 445 . 15 1 1 A 52 52 VAL C C 52 175.000 174.320 0.680 1
1 446 . 15 1 1 A 52 52 VAL CA C 52 59.600 60.130 -0.530 1
1 447 . 15 1 1 A 52 52 VAL CB C 52 34.900 34.501 0.399 1
1 450 . 15 1 1 A 52 52 VAL N N 52 111.600 113.968 -2.368 1
1 451 . 15 1 1 A 53 53 LYS H H 53 8.150 9.047 -0.897 1
1 452 . 15 1 1 A 53 53 LYS HA H 53 4.510 4.922 -0.412 1
1 454 . 15 1 1 A 53 53 LYS C C 53 176.800 175.703 1.097 1
1 455 . 15 1 1 A 53 53 LYS CA C 53 55.700 55.219 0.481 1
1 456 . 15 1 1 A 53 53 LYS CB C 53 34.000 33.924 0.076 1
1 457 . 15 1 1 A 53 53 LYS N N 53 120.800 124.519 -3.719 1
1 458 . 15 1 1 A 54 54 ILE H H 54 8.370 8.465 -0.095 1
1 459 . 15 1 1 A 54 54 ILE HA H 54 4.530 4.739 -0.209 1
1 469 . 15 1 1 A 54 54 ILE CA C 54 58.700 57.964 0.736 1
1 470 . 15 1 1 A 54 54 ILE CB C 54 38.400 39.917 -1.517 1
1 474 . 15 1 1 A 54 54 ILE N N 54 122.500 123.374 -0.874 1
1 475 . 15 1 1 A 57 57 LYS HA H 57 3.780 3.695 0.085 1
1 484 . 15 1 1 A 57 57 LYS C C 57 176.300 177.655 -1.355 1
1 485 . 15 1 1 A 57 57 LYS CA C 57 59.000 58.646 0.354 1
1 486 . 15 1 1 A 57 57 LYS CB C 57 32.300 31.817 0.483 1
1 490 . 15 1 1 A 58 58 TRP H H 58 7.250 7.239 0.011 1
1 491 . 15 1 1 A 58 58 TRP HA H 58 4.850 4.285 0.565 1
1 500 . 15 1 1 A 58 58 TRP C C 58 176.800 178.199 -1.399 1
1 501 . 15 1 1 A 58 58 TRP CA C 58 55.400 58.387 -2.987 1
1 502 . 15 1 1 A 58 58 TRP CB C 58 31.300 30.835 0.465 1
1 508 . 15 1 1 A 58 58 TRP N N 58 116.300 118.170 -1.870 1
1 510 . 15 1 1 A 59 59 LYS H H 59 7.310 8.031 -0.721 1
1 511 . 15 1 1 A 59 59 LYS HA H 59 3.960 3.540 0.420 1
1 517 . 15 1 1 A 59 59 LYS CA C 59 60.600 59.613 0.987 1
1 518 . 15 1 1 A 59 59 LYS CB C 59 33.500 32.166 1.334 1
1 522 . 15 1 1 A 59 59 LYS N N 59 118.600 121.354 -2.754 1
1 523 . 15 1 1 A 60 60 ARG HA H 60 4.540 4.277 0.263 1
1 528 . 15 1 1 A 60 60 ARG C C 60 177.200 177.168 0.032 1
1 529 . 15 1 1 A 60 60 ARG CA C 60 55.400 56.192 -0.792 1
1 530 . 15 1 1 A 60 60 ARG CB C 60 30.400 30.372 0.028 1
1 533 . 15 1 1 A 61 61 ARG H H 61 7.620 7.302 0.318 1
1 534 . 15 1 1 A 61 61 ARG HA H 61 4.250 4.361 -0.111 1
1 537 . 15 1 1 A 61 61 ARG C C 61 172.300 174.508 -2.208 1
1 538 . 15 1 1 A 61 61 ARG CA C 61 54.400 55.262 -0.862 1
1 539 . 15 1 1 A 61 61 ARG CB C 61 27.900 30.223 -2.323 1
1 541 . 15 1 1 A 61 61 ARG N N 61 116.000 116.885 -0.885 1
1 542 . 15 1 1 A 62 62 TYR H H 62 6.980 7.544 -0.564 1
1 543 . 15 1 1 A 62 62 TYR HA H 62 5.860 5.489 0.371 1
1 550 . 15 1 1 A 62 62 TYR C C 62 173.100 172.438 0.662 1
1 551 . 15 1 1 A 62 62 TYR CA C 62 55.000 56.029 -1.029 1
1 552 . 15 1 1 A 62 62 TYR CB C 62 43.000 41.090 1.910 1
1 557 . 15 1 1 A 62 62 TYR N N 62 112.300 116.259 -3.959 1
1 558 . 15 1 1 A 63 63 CYS H H 63 9.220 8.217 1.003 1
1 559 . 15 1 1 A 63 63 CYS HA H 63 4.280 4.588 -0.308 1
1 562 . 15 1 1 A 63 63 CYS C C 63 178.000 175.699 2.301 1
1 563 . 15 1 1 A 63 63 CYS CA C 63 59.900 58.937 0.963 1
1 564 . 15 1 1 A 63 63 CYS CB C 63 32.300 28.694 3.606 1
1 565 . 15 1 1 A 63 63 CYS N N 63 124.100 120.770 3.330 1
1 566 . 15 1 1 A 64 64 LYS H H 64 7.820 8.744 -0.924 1
1 567 . 15 1 1 A 64 64 LYS HA H 64 4.240 3.767 0.473 1
1 571 . 15 1 1 A 64 64 LYS C C 64 175.400 178.422 -3.022 1
1 572 . 15 1 1 A 64 64 LYS CA C 64 59.500 60.059 -0.559 1
1 573 . 15 1 1 A 64 64 LYS CB C 64 33.600 32.293 1.307 1
1 577 . 15 1 1 A 64 64 LYS N N 64 129.300 127.319 1.981 1
1 578 . 15 1 1 A 65 65 LYS H H 65 9.270 7.354 1.916 1
1 579 . 15 1 1 A 65 65 LYS HA H 65 4.250 3.957 0.293 1
1 586 . 15 1 1 A 65 65 LYS C C 65 176.300 178.504 -2.204 1
1 587 . 15 1 1 A 65 65 LYS CA C 65 58.500 58.533 -0.033 1
1 588 . 15 1 1 A 65 65 LYS CB C 65 33.700 32.692 1.008 1
1 592 . 15 1 1 A 65 65 LYS N N 65 122.500 119.535 2.965 1
1 593 . 15 1 1 A 66 66 CYS H H 66 9.190 7.431 1.759 1
1 594 . 15 1 1 A 66 66 CYS HA H 66 4.560 4.281 0.279 1
1 597 . 15 1 1 A 66 66 CYS C C 66 176.200 174.752 1.448 1
1 598 . 15 1 1 A 66 66 CYS CA C 66 59.700 63.298 -3.598 1
1 599 . 15 1 1 A 66 66 CYS CB C 66 32.200 27.817 4.383 1
1 600 . 15 1 1 A 66 66 CYS N N 66 121.200 118.055 3.145 1
1 601 . 15 1 1 A 67 67 HIS H H 67 7.700 7.407 0.293 1
1 602 . 15 1 1 A 67 67 HIS HA H 67 4.850 3.841 1.009 1
1 604 . 15 1 1 A 67 67 HIS C C 67 171.000 174.412 -3.412 1
1 605 . 15 1 1 A 67 67 HIS CA C 67 56.200 57.336 -1.136 1
1 606 . 15 1 1 A 67 67 HIS CB C 67 26.800 26.917 -0.117 1
1 607 . 15 1 1 A 67 67 HIS N N 67 114.200 115.612 -1.412 1
1 608 . 15 1 1 A 68 68 ALA H H 68 8.720 7.820 0.900 1
1 609 . 15 1 1 A 68 68 ALA HA H 68 4.230 4.383 -0.153 1
1 613 . 15 1 1 A 68 68 ALA C C 68 177.800 176.905 0.895 1
1 614 . 15 1 1 A 68 68 ALA CA C 68 53.800 52.341 1.459 1
1 615 . 15 1 1 A 68 68 ALA CB C 68 19.800 19.916 -0.116 1
1 616 . 15 1 1 A 68 68 ALA N N 68 119.600 122.352 -2.752 1
1 617 . 15 1 1 A 69 69 PHE H H 69 8.500 8.646 -0.146 1
1 618 . 15 1 1 A 69 69 PHE HA H 69 4.590 4.987 -0.397 1
1 626 . 15 1 1 A 69 69 PHE C C 69 174.200 173.857 0.343 1
1 627 . 15 1 1 A 69 69 PHE CA C 69 58.300 59.649 -1.349 1
1 628 . 15 1 1 A 69 69 PHE CB C 69 40.900 39.192 1.708 1
1 634 . 15 1 1 A 69 69 PHE N N 69 122.200 121.140 1.060 1
1 635 . 15 1 1 A 70 70 LEU H H 70 7.550 9.289 -1.739 1
1 636 . 15 1 1 A 70 70 LEU HA H 70 4.540 5.368 -0.828 1
1 645 . 15 1 1 A 70 70 LEU C C 70 176.000 175.395 0.605 1
1 646 . 15 1 1 A 70 70 LEU CA C 70 53.700 53.727 -0.027 1
1 647 . 15 1 1 A 70 70 LEU CB C 70 43.600 44.471 -0.871 1
1 651 . 15 1 1 A 70 70 LEU N N 70 124.700 129.181 -4.481 1
1 652 . 15 1 1 A 71 71 VAL H H 71 9.700 9.168 0.532 1
1 653 . 15 1 1 A 71 71 VAL HA H 71 4.140 4.684 -0.544 1
1 661 . 15 1 1 A 71 71 VAL CA C 71 59.600 59.065 0.535 1
1 662 . 15 1 1 A 71 71 VAL CB C 71 34.000 36.152 -2.152 1
1 665 . 15 1 1 A 71 71 VAL N N 71 125.800 127.179 -1.379 1
1 666 . 15 1 1 A 72 72 PRO HA H 72 4.170 4.333 -0.163 1
1 673 . 15 1 1 A 72 72 PRO C C 72 176.200 177.319 -1.119 1
1 674 . 15 1 1 A 72 72 PRO CA C 72 64.100 63.694 0.406 1
1 675 . 15 1 1 A 72 72 PRO CB C 72 32.200 31.622 0.578 1
1 678 . 15 1 1 A 73 73 GLY H H 73 8.500 9.373 -0.873 1
1 679 . 15 1 1 A 73 73 GLY HA2 H 73 3.860 3.831 0.029 1
1 680 . 15 1 1 A 73 73 GLY HA3 H 73 4.550 3.850 0.700 1
1 681 . 15 1 1 A 73 73 GLY CA C 73 45.700 45.350 0.350 1
1 682 . 15 1 1 A 73 73 GLY N N 73 112.200 111.110 1.090 1
1 683 . 15 1 1 A 74 74 ILE H H 74 8.360 7.419 0.941 1
1 684 . 15 1 1 A 74 74 ILE HA H 74 4.580 4.078 0.502 1
1 694 . 15 1 1 A 74 74 ILE C C 74 175.700 177.531 -1.831 1
1 695 . 15 1 1 A 74 74 ILE CA C 74 62.700 62.880 -0.180 1
1 696 . 15 1 1 A 74 74 ILE CB C 74 38.400 38.262 0.138 1
1 700 . 15 1 1 A 74 74 ILE N N 74 120.200 120.359 -0.159 1
1 701 . 15 1 1 A 75 75 ASN H H 75 8.470 8.326 0.144 1
1 702 . 15 1 1 A 75 75 ASN HA H 75 4.970 4.887 0.083 1
1 706 . 15 1 1 A 75 75 ASN C C 75 172.900 174.678 -1.778 1
1 707 . 15 1 1 A 75 75 ASN CA C 75 52.600 53.265 -0.665 1
1 708 . 15 1 1 A 75 75 ASN CB C 75 38.600 38.624 -0.024 1
1 709 . 15 1 1 A 75 75 ASN N N 75 116.400 116.144 0.256 1
1 711 . 15 1 1 A 76 76 ALA H H 76 7.250 7.699 -0.449 1
1 712 . 15 1 1 A 76 76 ALA HA H 76 5.510 5.298 0.212 1
1 716 . 15 1 1 A 76 76 ALA C C 76 176.200 175.107 1.093 1
1 717 . 15 1 1 A 76 76 ALA CA C 76 50.400 51.550 -1.150 1
1 718 . 15 1 1 A 76 76 ALA CB C 76 23.200 22.987 0.213 1
1 719 . 15 1 1 A 76 76 ALA N N 76 117.400 119.702 -2.302 1
1 720 . 15 1 1 A 77 77 ARG H H 77 8.850 8.712 0.138 1
1 721 . 15 1 1 A 77 77 ARG HA H 77 4.950 5.175 -0.225 1
1 728 . 15 1 1 A 77 77 ARG CA C 77 54.800 54.533 0.267 1
1 729 . 15 1 1 A 77 77 ARG CB C 77 33.700 34.037 -0.337 1
1 732 . 15 1 1 A 77 77 ARG N N 77 123.000 122.586 0.414 1
1 733 . 15 1 1 A 78 78 VAL H H 78 8.920 9.070 -0.150 1
1 734 . 15 1 1 A 78 78 VAL HA H 78 4.730 5.270 -0.540 1
1 742 . 15 1 1 A 78 78 VAL CA C 78 61.400 59.719 1.681 1
1 743 . 15 1 1 A 78 78 VAL CB C 78 34.400 34.313 0.087 1
1 746 . 15 1 1 A 78 78 VAL N N 78 127.400 124.940 2.460 1
1 747 . 15 1 1 A 79 79 ARG H H 79 9.000 8.635 0.365 1
1 748 . 15 1 1 A 79 79 ARG HA H 79 4.750 4.830 -0.080 1
1 754 . 15 1 1 A 79 79 ARG CA C 79 54.400 55.203 -0.803 1
1 755 . 15 1 1 A 79 79 ARG CB C 79 34.300 32.339 1.961 1
1 758 . 15 1 1 A 79 79 ARG N N 79 126.400 128.023 -1.623 1
1 759 . 15 1 1 A 80 80 LEU H H 80 8.480 9.205 -0.725 1
1 760 . 15 1 1 A 80 80 LEU HA H 80 4.690 5.071 -0.381 1
1 770 . 15 1 1 A 80 80 LEU CA C 80 54.600 53.575 1.025 1
1 771 . 15 1 1 A 80 80 LEU CB C 80 43.500 42.966 0.534 1
1 775 . 15 1 1 A 80 80 LEU N N 80 124.700 124.923 -0.223 1
1 776 . 15 1 1 A 81 81 ARG H H 81 8.800 9.038 -0.238 1
1 777 . 15 1 1 A 81 81 ARG HA H 81 4.540 4.902 -0.362 1
1 781 . 15 1 1 A 81 81 ARG CA C 81 54.600 54.448 0.152 1
1 782 . 15 1 1 A 81 81 ARG CB C 81 31.600 33.263 -1.663 1
1 785 . 15 1 1 A 81 81 ARG N N 81 126.100 124.512 1.588 1
1 786 . 15 1 1 A 86 86 PRO HA H 86 4.700 4.843 -0.143 1
1 792 . 15 1 1 A 86 86 PRO C C 86 176.400 175.975 0.425 1
1 793 . 15 1 1 A 86 86 PRO CA C 86 64.000 62.815 1.185 1
1 794 . 15 1 1 A 86 86 PRO CB C 86 32.600 32.530 0.070 1
1 796 . 15 1 1 A 87 87 HIS H H 87 8.560 8.094 0.466 1
1 797 . 15 1 1 A 87 87 HIS HA H 87 5.140 5.054 0.086 1
1 800 . 15 1 1 A 87 87 HIS C C 87 172.600 174.375 -1.775 1
1 801 . 15 1 1 A 87 87 HIS CA C 87 56.000 54.726 1.274 1
1 802 . 15 1 1 A 87 87 HIS CB C 87 32.400 34.057 -1.657 1
1 803 . 15 1 1 A 87 87 HIS N N 87 118.700 121.041 -2.341 1
1 804 . 15 1 1 A 88 88 ILE H H 88 9.250 8.791 0.459 1
1 805 . 15 1 1 A 88 88 ILE HA H 88 4.710 5.171 -0.461 1
1 815 . 15 1 1 A 88 88 ILE CA C 88 60.200 59.177 1.023 1
1 816 . 15 1 1 A 88 88 ILE CB C 88 40.600 42.014 -1.414 1
1 820 . 15 1 1 A 88 88 ILE N N 88 120.600 116.916 3.684 1
1 821 . 15 1 1 A 89 89 VAL H H 89 9.050 8.935 0.115 1
1 822 . 15 1 1 A 89 89 VAL HA H 89 4.800 5.139 -0.339 1
1 830 . 15 1 1 A 89 89 VAL C C 89 175.000 174.663 0.337 1
1 831 . 15 1 1 A 89 89 VAL CA C 89 61.400 60.095 1.305 1
1 832 . 15 1 1 A 89 89 VAL CB C 89 34.400 34.355 0.045 1
1 835 . 15 1 1 A 90 90 VAL H H 90 9.340 9.431 -0.091 1
1 836 . 15 1 1 A 90 90 VAL HA H 90 5.160 5.208 -0.048 1
1 844 . 15 1 1 A 90 90 VAL C C 90 173.600 174.958 -1.358 1
1 845 . 15 1 1 A 90 90 VAL CA C 90 61.400 60.892 0.508 1
1 846 . 15 1 1 A 90 90 VAL CB C 90 34.100 34.705 -0.605 1
1 849 . 15 1 1 A 90 90 VAL N N 90 128.000 125.291 2.709 1
1 850 . 15 1 1 A 91 91 LYS H H 91 9.030 8.746 0.284 1
1 851 . 15 1 1 A 91 91 LYS HA H 91 5.160 5.284 -0.124 1
1 858 . 15 1 1 A 91 91 LYS C C 91 175.300 174.651 0.649 1
1 859 . 15 1 1 A 91 91 LYS CA C 91 54.100 54.543 -0.443 1
1 860 . 15 1 1 A 91 91 LYS CB C 91 36.600 36.052 0.548 1
1 864 . 15 1 1 A 91 91 LYS N N 91 128.100 124.280 3.820 1
1 865 . 15 1 1 A 92 92 CYS H H 92 9.050 8.522 0.528 1
1 866 . 15 1 1 A 92 92 CYS HA H 92 4.950 5.001 -0.051 1
1 869 . 15 1 1 A 92 92 CYS C C 92 177.300 175.625 1.675 1
1 870 . 15 1 1 A 92 92 CYS CA C 92 59.600 58.428 1.172 1
1 871 . 15 1 1 A 92 92 CYS CB C 92 32.600 28.367 4.233 1
1 872 . 15 1 1 A 92 92 CYS N N 92 129.900 121.731 8.169 1
1 873 . 15 1 1 A 93 93 LEU H H 93 8.910 8.917 -0.007 1
1 874 . 15 1 1 A 93 93 LEU HA H 93 4.480 3.949 0.531 1
1 884 . 15 1 1 A 93 93 LEU C C 93 178.100 178.350 -0.250 1
1 885 . 15 1 1 A 93 93 LEU CA C 93 55.300 58.138 -2.838 1
1 886 . 15 1 1 A 93 93 LEU CB C 93 40.500 41.516 -1.016 1
1 890 . 15 1 1 A 93 93 LEU N N 93 127.300 126.451 0.849 1
1 891 . 15 1 1 A 94 94 GLU H H 94 9.460 8.362 1.098 1
1 892 . 15 1 1 A 94 94 GLU HA H 94 4.420 3.996 0.424 1
1 897 . 15 1 1 A 94 94 GLU C C 94 178.400 178.707 -0.307 1
1 898 . 15 1 1 A 94 94 GLU CA C 94 59.700 59.426 0.274 1
1 899 . 15 1 1 A 94 94 GLU CB C 94 29.900 29.608 0.292 1
1 901 . 15 1 1 A 94 94 GLU N N 94 122.900 118.123 4.777 1
1 902 . 15 1 1 A 95 95 CYS H H 95 9.110 7.789 1.321 1
1 903 . 15 1 1 A 95 95 CYS HA H 95 5.140 4.521 0.619 1
1 906 . 15 1 1 A 95 95 CYS C C 95 176.900 176.065 0.835 1
1 907 . 15 1 1 A 95 95 CYS CA C 95 58.900 59.851 -0.951 1
1 908 . 15 1 1 A 95 95 CYS CB C 95 33.600 29.153 4.447 1
1 909 . 15 1 1 A 95 95 CYS N N 95 119.200 115.621 3.579 1
1 910 . 15 1 1 A 96 96 GLY H H 96 8.000 8.731 -0.731 1
1 911 . 15 1 1 A 96 96 GLY HA2 H 96 3.850 3.838 0.012 1
1 912 . 15 1 1 A 96 96 GLY C C 96 174.100 173.767 0.333 1
1 913 . 15 1 1 A 96 96 GLY CA C 96 46.500 45.797 0.703 1
1 914 . 15 1 1 A 96 96 GLY N N 96 115.300 111.024 4.276 1
1 915 . 15 1 1 A 97 97 HIS H H 97 9.310 7.494 1.816 1
1 916 . 15 1 1 A 97 97 HIS HA H 97 4.500 4.998 -0.498 1
1 919 . 15 1 1 A 97 97 HIS C C 97 173.200 173.124 0.076 1
1 920 . 15 1 1 A 97 97 HIS CA C 97 58.600 54.953 3.647 1
1 921 . 15 1 1 A 97 97 HIS CB C 97 33.000 33.139 -0.139 1
1 922 . 15 1 1 A 97 97 HIS N N 97 125.300 117.244 8.056 1
1 923 . 15 1 1 A 98 98 ILE H H 98 6.890 8.780 -1.890 1
1 924 . 15 1 1 A 98 98 ILE HA H 98 4.760 4.881 -0.121 1
1 934 . 15 1 1 A 98 98 ILE C C 98 175.000 173.894 1.106 1
1 935 . 15 1 1 A 98 98 ILE CA C 98 60.000 60.059 -0.059 1
1 936 . 15 1 1 A 98 98 ILE CB C 98 40.200 40.549 -0.349 1
1 940 . 15 1 1 A 98 98 ILE N N 98 123.600 123.032 0.568 1
1 941 . 15 1 1 A 99 99 MET H H 99 9.050 9.895 -0.845 1
1 942 . 15 1 1 A 99 99 MET HA H 99 4.630 5.158 -0.528 1
1 950 . 15 1 1 A 99 99 MET C C 99 173.100 174.829 -1.729 1
1 951 . 15 1 1 A 99 99 MET CA C 99 54.400 54.265 0.135 1
1 952 . 15 1 1 A 99 99 MET CB C 99 37.900 35.896 2.004 1
1 955 . 15 1 1 A 99 99 MET N N 99 126.400 129.283 -2.883 1
1 956 . 15 1 1 A 100 100 ARG H H 100 7.930 8.895 -0.965 1
1 957 . 15 1 1 A 100 100 ARG HA H 100 5.370 4.799 0.571 1
1 963 . 15 1 1 A 100 100 ARG C C 100 175.200 174.683 0.517 1
1 964 . 15 1 1 A 100 100 ARG CA C 100 54.700 55.624 -0.924 1
1 965 . 15 1 1 A 100 100 ARG CB C 100 33.600 31.999 1.601 1
1 968 . 15 1 1 A 100 100 ARG N N 100 120.200 126.141 -5.941 1
1 969 . 15 1 1 A 101 101 TYR H H 101 9.110 9.078 0.032 1
1 970 . 15 1 1 A 101 101 TYR HA H 101 5.130 5.253 -0.123 1
1 977 . 15 1 1 A 101 101 TYR CA C 101 55.300 55.222 0.078 1
1 978 . 15 1 1 A 101 101 TYR CB C 101 40.900 40.512 0.388 1
1 983 . 15 1 1 A 101 101 TYR N N 101 121.100 123.738 -2.638 1
1 1 . 16 1 1 A 18 18 ILE HA H 18 3.610 3.749 -0.139 1
1 11 . 16 1 1 A 18 18 ILE C C 18 176.800 177.829 -1.029 1
1 12 . 16 1 1 A 18 18 ILE CA C 18 66.700 65.649 1.051 1
1 13 . 16 1 1 A 18 18 ILE CB C 18 38.600 37.520 1.080 1
1 17 . 16 1 1 A 19 19 ASP H H 19 8.050 8.671 -0.621 1
1 18 . 16 1 1 A 19 19 ASP HA H 19 4.580 4.531 0.049 1
1 21 . 16 1 1 A 19 19 ASP CA C 19 58.200 57.570 0.630 1
1 22 . 16 1 1 A 19 19 ASP CB C 19 42.500 40.449 2.051 1
1 23 . 16 1 1 A 19 19 ASP N N 19 119.100 120.307 -1.207 1
1 24 . 16 1 1 A 20 20 ILE H H 20 8.240 7.522 0.718 1
1 25 . 16 1 1 A 20 20 ILE HA H 20 3.730 3.671 0.059 1
1 35 . 16 1 1 A 20 20 ILE CA C 20 65.000 65.573 -0.573 1
1 36 . 16 1 1 A 20 20 ILE CB C 20 38.300 37.822 0.478 1
1 40 . 16 1 1 A 20 20 ILE N N 20 120.400 120.346 0.054 1
1 41 . 16 1 1 A 21 21 LEU H H 21 7.870 8.096 -0.226 1
1 42 . 16 1 1 A 21 21 LEU HA H 21 4.440 3.962 0.478 1
1 49 . 16 1 1 A 21 21 LEU C C 21 178.700 179.286 -0.586 1
1 50 . 16 1 1 A 21 21 LEU CA C 21 59.800 58.139 1.661 1
1 51 . 16 1 1 A 21 21 LEU CB C 21 42.200 41.920 0.280 1
1 54 . 16 1 1 A 21 21 LEU N N 21 121.100 118.498 2.602 1
1 55 . 16 1 1 A 22 22 PHE H H 22 7.820 9.109 -1.289 1
1 56 . 16 1 1 A 22 22 PHE HA H 22 3.480 4.118 -0.638 1
1 63 . 16 1 1 A 22 22 PHE C C 22 177.300 177.358 -0.058 1
1 64 . 16 1 1 A 22 22 PHE CA C 22 63.100 61.976 1.124 1
1 65 . 16 1 1 A 22 22 PHE CB C 22 36.400 39.095 -2.695 1
1 70 . 16 1 1 A 22 22 PHE N N 22 116.900 119.656 -2.756 1
1 71 . 16 1 1 A 23 23 SER H H 23 7.940 8.082 -0.142 1
1 72 . 16 1 1 A 23 23 SER HA H 23 4.520 4.071 0.449 1
1 75 . 16 1 1 A 23 23 SER C C 23 177.300 177.399 -0.099 1
1 76 . 16 1 1 A 23 23 SER CA C 23 63.500 61.491 2.009 1
1 77 . 16 1 1 A 23 23 SER CB C 23 62.900 62.920 -0.020 1
1 78 . 16 1 1 A 23 23 SER N N 23 114.400 114.358 0.042 1
1 79 . 16 1 1 A 24 24 LEU H H 24 8.050 8.058 -0.008 1
1 80 . 16 1 1 A 24 24 LEU HA H 24 3.820 3.942 -0.122 1
1 89 . 16 1 1 A 24 24 LEU C C 24 178.200 178.810 -0.610 1
1 90 . 16 1 1 A 24 24 LEU CA C 24 58.100 57.414 0.686 1
1 91 . 16 1 1 A 24 24 LEU CB C 24 40.700 41.426 -0.726 1
1 95 . 16 1 1 A 24 24 LEU N N 24 124.700 120.952 3.748 1
1 96 . 16 1 1 A 25 25 ALA H H 25 7.590 8.989 -1.399 1
1 97 . 16 1 1 A 25 25 ALA HA H 25 3.820 4.014 -0.194 1
1 101 . 16 1 1 A 25 25 ALA C C 25 177.700 179.327 -1.627 1
1 102 . 16 1 1 A 25 25 ALA CA C 25 55.800 55.465 0.335 1
1 103 . 16 1 1 A 25 25 ALA CB C 25 18.400 18.126 0.274 1
1 104 . 16 1 1 A 25 25 ALA N N 25 122.400 122.006 0.394 1
1 105 . 16 1 1 A 26 26 GLU H H 26 7.690 7.710 -0.020 1
1 106 . 16 1 1 A 26 26 GLU HA H 26 4.270 3.659 0.611 1
1 111 . 16 1 1 A 26 26 GLU C C 26 178.600 178.584 0.016 1
1 112 . 16 1 1 A 26 26 GLU CA C 26 60.000 59.040 0.960 1
1 113 . 16 1 1 A 26 26 GLU CB C 26 31.100 28.863 2.237 1
1 115 . 16 1 1 A 26 26 GLU N N 26 116.000 118.941 -2.941 1
1 116 . 16 1 1 A 27 27 ARG H H 27 7.670 7.631 0.039 1
1 117 . 16 1 1 A 27 27 ARG HA H 27 4.190 4.150 0.040 1
1 122 . 16 1 1 A 27 27 ARG C C 27 178.400 178.302 0.098 1
1 123 . 16 1 1 A 27 27 ARG CA C 27 58.800 58.643 0.157 1
1 124 . 16 1 1 A 27 27 ARG CB C 27 30.700 29.941 0.759 1
1 127 . 16 1 1 A 27 27 ARG N N 27 116.700 120.408 -3.708 1
1 128 . 16 1 1 A 28 28 VAL H H 28 8.230 7.945 0.285 1
1 129 . 16 1 1 A 28 28 VAL HA H 28 4.530 3.856 0.674 1
1 137 . 16 1 1 A 28 28 VAL C C 28 176.500 177.877 -1.377 1
1 138 . 16 1 1 A 28 28 VAL CA C 28 62.600 65.048 -2.448 1
1 139 . 16 1 1 A 28 28 VAL CB C 28 33.000 31.385 1.615 1
1 142 . 16 1 1 A 28 28 VAL N N 28 112.600 118.667 -6.067 1
1 143 . 16 1 1 A 29 29 PHE H H 29 8.020 8.291 -0.271 1
1 144 . 16 1 1 A 29 29 PHE HA H 29 3.960 4.423 -0.463 1
1 151 . 16 1 1 A 29 29 PHE CA C 29 64.500 62.719 1.781 1
1 152 . 16 1 1 A 29 29 PHE CB C 29 37.300 37.182 0.118 1
1 157 . 16 1 1 A 29 29 PHE N N 29 124.600 122.483 2.117 1
1 158 . 16 1 1 A 30 30 PRO HA H 30 4.150 4.294 -0.144 1
1 163 . 16 1 1 A 30 30 PRO C C 30 176.600 178.755 -2.155 1
1 164 . 16 1 1 A 30 30 PRO CA C 30 65.600 65.927 -0.327 1
1 165 . 16 1 1 A 30 30 PRO CB C 30 31.400 30.953 0.447 1
1 168 . 16 1 1 A 31 31 TYR H H 31 7.540 7.988 -0.448 1
1 169 . 16 1 1 A 31 31 TYR HA H 31 4.600 4.228 0.372 1
1 176 . 16 1 1 A 31 31 TYR C C 31 176.500 175.104 1.396 1
1 177 . 16 1 1 A 31 31 TYR CA C 31 58.300 61.502 -3.202 1
1 178 . 16 1 1 A 31 31 TYR CB C 31 39.400 39.202 0.198 1
1 183 . 16 1 1 A 31 31 TYR N N 31 113.500 119.316 -5.816 1
1 184 . 16 1 1 A 32 32 SER H H 32 8.210 8.396 -0.186 1
1 185 . 16 1 1 A 32 32 SER HA H 32 4.770 4.709 0.061 1
1 188 . 16 1 1 A 32 32 SER CA C 32 55.700 55.802 -0.102 1
1 189 . 16 1 1 A 32 32 SER CB C 32 63.200 66.197 -2.997 1
1 190 . 16 1 1 A 32 32 SER N N 32 111.700 111.861 -0.161 1
1 191 . 16 1 1 A 33 33 PRO HA H 33 4.250 3.926 0.324 1
1 195 . 16 1 1 A 33 33 PRO C C 33 179.000 177.703 1.297 1
1 196 . 16 1 1 A 33 33 PRO CA C 33 65.400 65.180 0.220 1
1 197 . 16 1 1 A 33 33 PRO CB C 33 33.000 31.553 1.447 1
1 200 . 16 1 1 A 34 34 GLU H H 34 8.390 7.920 0.470 1
1 201 . 16 1 1 A 34 34 GLU HA H 34 4.130 4.095 0.035 1
1 204 . 16 1 1 A 34 34 GLU C C 34 178.700 179.182 -0.482 1
1 205 . 16 1 1 A 34 34 GLU CA C 34 59.900 59.571 0.329 1
1 206 . 16 1 1 A 34 34 GLU CB C 34 30.000 29.470 0.530 1
1 208 . 16 1 1 A 34 34 GLU N N 34 118.500 118.298 0.202 1
1 209 . 16 1 1 A 35 35 LEU H H 35 7.970 8.364 -0.394 1
1 210 . 16 1 1 A 35 35 LEU HA H 35 4.070 4.026 0.044 1
1 217 . 16 1 1 A 35 35 LEU CA C 35 57.400 58.046 -0.646 1
1 218 . 16 1 1 A 35 35 LEU CB C 35 42.200 41.758 0.442 1
1 221 . 16 1 1 A 35 35 LEU N N 35 122.000 120.952 1.048 1
1 222 . 16 1 1 A 36 36 ALA H H 36 7.860 8.257 -0.397 1
1 223 . 16 1 1 A 36 36 ALA HA H 36 4.040 4.258 -0.218 1
1 227 . 16 1 1 A 36 36 ALA C C 36 178.600 179.137 -0.537 1
1 228 . 16 1 1 A 36 36 ALA CA C 36 56.400 55.352 1.048 1
1 229 . 16 1 1 A 36 36 ALA CB C 36 19.500 18.476 1.024 1
1 230 . 16 1 1 A 36 36 ALA N N 36 121.000 121.918 -0.918 1
1 231 . 16 1 1 A 37 37 LYS H H 37 7.910 7.970 -0.060 1
1 232 . 16 1 1 A 37 37 LYS HA H 37 4.300 4.036 0.264 1
1 237 . 16 1 1 A 37 37 LYS C C 37 177.800 178.482 -0.682 1
1 238 . 16 1 1 A 37 37 LYS CA C 37 59.700 59.797 -0.097 1
1 239 . 16 1 1 A 37 37 LYS CB C 37 32.400 32.707 -0.307 1
1 243 . 16 1 1 A 37 37 LYS N N 37 117.700 118.358 -0.658 1
1 244 . 16 1 1 A 38 38 ARG H H 38 7.640 7.364 0.276 1
1 245 . 16 1 1 A 38 38 ARG HA H 38 4.090 3.875 0.215 1
1 251 . 16 1 1 A 38 38 ARG C C 38 179.600 178.754 0.846 1
1 252 . 16 1 1 A 38 38 ARG CA C 38 59.300 59.121 0.179 1
1 253 . 16 1 1 A 38 38 ARG CB C 38 30.000 29.723 0.277 1
1 256 . 16 1 1 A 38 38 ARG N N 38 118.200 119.672 -1.472 1
1 257 . 16 1 1 A 39 39 TYR H H 39 7.860 8.051 -0.191 1
1 258 . 16 1 1 A 39 39 TYR HA H 39 4.290 4.373 -0.083 1
1 264 . 16 1 1 A 39 39 TYR C C 39 177.800 178.456 -0.656 1
1 265 . 16 1 1 A 39 39 TYR CA C 39 62.500 60.723 1.777 1
1 266 . 16 1 1 A 39 39 TYR CB C 39 38.300 37.787 0.513 1
1 271 . 16 1 1 A 39 39 TYR N N 39 119.200 119.675 -0.475 1
1 272 . 16 1 1 A 40 40 VAL H H 40 7.960 9.259 -1.299 1
1 273 . 16 1 1 A 40 40 VAL HA H 40 2.750 3.552 -0.802 1
1 281 . 16 1 1 A 40 40 VAL C C 40 177.800 177.589 0.211 1
1 282 . 16 1 1 A 40 40 VAL CA C 40 67.300 66.549 0.751 1
1 283 . 16 1 1 A 40 40 VAL CB C 40 31.400 31.396 0.004 1
1 286 . 16 1 1 A 40 40 VAL N N 40 120.800 120.042 0.758 1
1 287 . 16 1 1 A 41 41 GLU H H 41 8.660 7.851 0.809 1
1 288 . 16 1 1 A 41 41 GLU HA H 41 3.680 3.949 -0.269 1
1 291 . 16 1 1 A 41 41 GLU C C 41 179.900 179.135 0.765 1
1 292 . 16 1 1 A 41 41 GLU CA C 41 60.500 59.332 1.168 1
1 293 . 16 1 1 A 41 41 GLU CB C 41 29.400 29.303 0.097 1
1 295 . 16 1 1 A 41 41 GLU N N 41 117.000 119.603 -2.603 1
1 296 . 16 1 1 A 42 42 LEU H H 42 7.960 7.776 0.184 1
1 297 . 16 1 1 A 42 42 LEU HA H 42 4.130 4.097 0.033 1
1 306 . 16 1 1 A 42 42 LEU C C 42 178.300 178.337 -0.037 1
1 307 . 16 1 1 A 42 42 LEU CA C 42 58.000 57.835 0.165 1
1 308 . 16 1 1 A 42 42 LEU CB C 42 42.300 41.290 1.010 1
1 312 . 16 1 1 A 42 42 LEU N N 42 120.300 122.049 -1.749 1
1 313 . 16 1 1 A 43 43 ALA H H 43 8.040 7.948 0.092 1
1 314 . 16 1 1 A 43 43 ALA HA H 43 3.740 3.953 -0.213 1
1 318 . 16 1 1 A 43 43 ALA C C 43 179.400 180.146 -0.746 1
1 319 . 16 1 1 A 43 43 ALA CA C 43 55.700 55.249 0.451 1
1 320 . 16 1 1 A 43 43 ALA CB C 43 18.500 18.265 0.235 1
1 321 . 16 1 1 A 43 43 ALA N N 43 123.600 120.893 2.707 1
1 322 . 16 1 1 A 44 44 LEU H H 44 8.340 7.944 0.396 1
1 323 . 16 1 1 A 44 44 LEU HA H 44 4.070 3.834 0.236 1
1 333 . 16 1 1 A 44 44 LEU C C 44 180.000 179.406 0.594 1
1 334 . 16 1 1 A 44 44 LEU CA C 44 57.500 57.677 -0.177 1
1 335 . 16 1 1 A 44 44 LEU CB C 44 40.800 41.706 -0.906 1
1 339 . 16 1 1 A 44 44 LEU N N 44 116.800 118.477 -1.677 1
1 340 . 16 1 1 A 45 45 LEU H H 45 7.860 8.243 -0.383 1
1 341 . 16 1 1 A 45 45 LEU HA H 45 4.170 3.969 0.201 1
1 351 . 16 1 1 A 45 45 LEU C C 45 179.600 178.793 0.807 1
1 352 . 16 1 1 A 45 45 LEU CA C 45 58.400 58.027 0.373 1
1 353 . 16 1 1 A 45 45 LEU CB C 45 42.200 41.806 0.394 1
1 357 . 16 1 1 A 45 45 LEU N N 45 122.600 118.813 3.787 1
1 358 . 16 1 1 A 46 46 VAL H H 46 8.070 8.027 0.043 1
1 359 . 16 1 1 A 46 46 VAL HA H 46 3.610 3.483 0.127 1
1 367 . 16 1 1 A 46 46 VAL CA C 46 66.800 66.673 0.127 1
1 368 . 16 1 1 A 46 46 VAL CB C 46 31.600 31.198 0.402 1
1 370 . 16 1 1 A 46 46 VAL N N 46 120.100 119.061 1.039 1
1 371 . 16 1 1 A 47 47 GLN H H 47 8.360 8.030 0.330 1
1 372 . 16 1 1 A 47 47 GLN HA H 47 3.860 3.979 -0.119 1
1 378 . 16 1 1 A 47 47 GLN C C 47 178.000 178.085 -0.085 1
1 379 . 16 1 1 A 47 47 GLN CA C 47 60.200 59.231 0.969 1
1 380 . 16 1 1 A 47 47 GLN CB C 47 27.800 28.349 -0.549 1
1 382 . 16 1 1 A 47 47 GLN N N 47 120.000 119.506 0.494 1
1 384 . 16 1 1 A 48 48 GLN H H 48 8.110 8.224 -0.114 1
1 385 . 16 1 1 A 48 48 GLN HA H 48 4.080 4.044 0.036 1
1 392 . 16 1 1 A 48 48 GLN C C 48 178.500 178.198 0.302 1
1 393 . 16 1 1 A 48 48 GLN CA C 48 58.900 58.793 0.107 1
1 394 . 16 1 1 A 48 48 GLN CB C 48 29.400 28.366 1.034 1
1 396 . 16 1 1 A 48 48 GLN N N 48 117.600 117.372 0.228 1
1 398 . 16 1 1 A 49 49 LYS H H 49 8.110 7.713 0.397 1
1 399 . 16 1 1 A 49 49 LYS HA H 49 4.190 4.031 0.159 1
1 405 . 16 1 1 A 49 49 LYS C C 49 177.800 179.185 -1.385 1
1 406 . 16 1 1 A 49 49 LYS CA C 49 58.600 59.261 -0.661 1
1 407 . 16 1 1 A 49 49 LYS CB C 49 33.000 32.141 0.859 1
1 411 . 16 1 1 A 49 49 LYS N N 49 118.100 119.537 -1.437 1
1 412 . 16 1 1 A 50 50 ALA H H 50 8.240 7.996 0.244 1
1 413 . 16 1 1 A 50 50 ALA HA H 50 4.460 4.324 0.136 1
1 417 . 16 1 1 A 50 50 ALA C C 50 176.700 177.185 -0.485 1
1 418 . 16 1 1 A 50 50 ALA CA C 50 52.700 52.565 0.135 1
1 419 . 16 1 1 A 50 50 ALA CB C 50 21.100 19.461 1.639 1
1 420 . 16 1 1 A 50 50 ALA N N 50 119.000 119.001 -0.001 1
1 421 . 16 1 1 A 51 51 LYS H H 51 8.000 7.818 0.182 1
1 422 . 16 1 1 A 51 51 LYS HA H 51 4.030 3.915 0.115 1
1 429 . 16 1 1 A 51 51 LYS C C 51 175.800 175.385 0.415 1
1 430 . 16 1 1 A 51 51 LYS CA C 51 57.500 57.387 0.113 1
1 431 . 16 1 1 A 51 51 LYS CB C 51 29.500 30.559 -1.059 1
1 435 . 16 1 1 A 51 51 LYS N N 51 114.500 117.367 -2.867 1
1 436 . 16 1 1 A 52 52 VAL H H 52 7.000 7.454 -0.454 1
1 437 . 16 1 1 A 52 52 VAL HA H 52 4.570 4.841 -0.271 1
1 445 . 16 1 1 A 52 52 VAL C C 52 175.000 174.581 0.419 1
1 446 . 16 1 1 A 52 52 VAL CA C 52 59.600 60.126 -0.526 1
1 447 . 16 1 1 A 52 52 VAL CB C 52 34.900 34.560 0.340 1
1 450 . 16 1 1 A 52 52 VAL N N 52 111.600 114.693 -3.093 1
1 451 . 16 1 1 A 53 53 LYS H H 53 8.150 8.849 -0.699 1
1 452 . 16 1 1 A 53 53 LYS HA H 53 4.510 4.968 -0.458 1
1 454 . 16 1 1 A 53 53 LYS C C 53 176.800 175.844 0.956 1
1 455 . 16 1 1 A 53 53 LYS CA C 53 55.700 55.165 0.535 1
1 456 . 16 1 1 A 53 53 LYS CB C 53 34.000 34.755 -0.755 1
1 457 . 16 1 1 A 53 53 LYS N N 53 120.800 124.341 -3.541 1
1 458 . 16 1 1 A 54 54 ILE H H 54 8.370 8.626 -0.256 1
1 459 . 16 1 1 A 54 54 ILE HA H 54 4.530 4.780 -0.250 1
1 469 . 16 1 1 A 54 54 ILE CA C 54 58.700 58.066 0.634 1
1 470 . 16 1 1 A 54 54 ILE CB C 54 38.400 39.954 -1.554 1
1 474 . 16 1 1 A 54 54 ILE N N 54 122.500 119.996 2.504 1
1 475 . 16 1 1 A 57 57 LYS HA H 57 3.780 3.858 -0.078 1
1 484 . 16 1 1 A 57 57 LYS C C 57 176.300 177.941 -1.641 1
1 485 . 16 1 1 A 57 57 LYS CA C 57 59.000 58.886 0.114 1
1 486 . 16 1 1 A 57 57 LYS CB C 57 32.300 31.883 0.417 1
1 490 . 16 1 1 A 58 58 TRP H H 58 7.250 7.670 -0.420 1
1 491 . 16 1 1 A 58 58 TRP HA H 58 4.850 4.695 0.155 1
1 500 . 16 1 1 A 58 58 TRP C C 58 176.800 177.090 -0.290 1
1 501 . 16 1 1 A 58 58 TRP CA C 58 55.400 58.158 -2.758 1
1 502 . 16 1 1 A 58 58 TRP CB C 58 31.300 31.047 0.253 1
1 508 . 16 1 1 A 58 58 TRP N N 58 116.300 116.759 -0.459 1
1 510 . 16 1 1 A 59 59 LYS H H 59 7.310 8.499 -1.189 1
1 511 . 16 1 1 A 59 59 LYS HA H 59 3.960 3.597 0.363 1
1 517 . 16 1 1 A 59 59 LYS CA C 59 60.600 59.143 1.457 1
1 518 . 16 1 1 A 59 59 LYS CB C 59 33.500 31.886 1.614 1
1 522 . 16 1 1 A 59 59 LYS N N 59 118.600 119.703 -1.103 1
1 523 . 16 1 1 A 60 60 ARG HA H 60 4.540 4.315 0.225 1
1 528 . 16 1 1 A 60 60 ARG C C 60 177.200 177.258 -0.058 1
1 529 . 16 1 1 A 60 60 ARG CA C 60 55.400 56.291 -0.891 1
1 530 . 16 1 1 A 60 60 ARG CB C 60 30.400 30.354 0.046 1
1 533 . 16 1 1 A 61 61 ARG H H 61 7.620 7.328 0.292 1
1 534 . 16 1 1 A 61 61 ARG HA H 61 4.250 4.322 -0.072 1
1 537 . 16 1 1 A 61 61 ARG C C 61 172.300 174.731 -2.431 1
1 538 . 16 1 1 A 61 61 ARG CA C 61 54.400 55.404 -1.004 1
1 539 . 16 1 1 A 61 61 ARG CB C 61 27.900 30.620 -2.720 1
1 541 . 16 1 1 A 61 61 ARG N N 61 116.000 116.911 -0.911 1
1 542 . 16 1 1 A 62 62 TYR H H 62 6.980 7.592 -0.612 1
1 543 . 16 1 1 A 62 62 TYR HA H 62 5.860 5.493 0.367 1
1 550 . 16 1 1 A 62 62 TYR C C 62 173.100 173.536 -0.436 1
1 551 . 16 1 1 A 62 62 TYR CA C 62 55.000 55.696 -0.696 1
1 552 . 16 1 1 A 62 62 TYR CB C 62 43.000 41.578 1.422 1
1 557 . 16 1 1 A 62 62 TYR N N 62 112.300 116.210 -3.910 1
1 558 . 16 1 1 A 63 63 CYS H H 63 9.220 8.867 0.353 1
1 559 . 16 1 1 A 63 63 CYS HA H 63 4.280 4.499 -0.219 1
1 562 . 16 1 1 A 63 63 CYS C C 63 178.000 175.992 2.008 1
1 563 . 16 1 1 A 63 63 CYS CA C 63 59.900 59.686 0.214 1
1 564 . 16 1 1 A 63 63 CYS CB C 63 32.300 28.596 3.704 1
1 565 . 16 1 1 A 63 63 CYS N N 63 124.100 120.281 3.819 1
1 566 . 16 1 1 A 64 64 LYS H H 64 7.820 8.857 -1.037 1
1 567 . 16 1 1 A 64 64 LYS HA H 64 4.240 3.818 0.422 1
1 571 . 16 1 1 A 64 64 LYS C C 64 175.400 178.354 -2.954 1
1 572 . 16 1 1 A 64 64 LYS CA C 64 59.500 59.953 -0.453 1
1 573 . 16 1 1 A 64 64 LYS CB C 64 33.600 32.339 1.261 1
1 577 . 16 1 1 A 64 64 LYS N N 64 129.300 126.516 2.784 1
1 578 . 16 1 1 A 65 65 LYS H H 65 9.270 7.664 1.606 1
1 579 . 16 1 1 A 65 65 LYS HA H 65 4.250 4.113 0.137 1
1 586 . 16 1 1 A 65 65 LYS C C 65 176.300 178.344 -2.044 1
1 587 . 16 1 1 A 65 65 LYS CA C 65 58.500 58.454 0.046 1
1 588 . 16 1 1 A 65 65 LYS CB C 65 33.700 33.102 0.598 1
1 592 . 16 1 1 A 65 65 LYS N N 65 122.500 119.179 3.321 1
1 593 . 16 1 1 A 66 66 CYS H H 66 9.190 7.470 1.720 1
1 594 . 16 1 1 A 66 66 CYS HA H 66 4.560 4.347 0.213 1
1 597 . 16 1 1 A 66 66 CYS C C 66 176.200 175.479 0.721 1
1 598 . 16 1 1 A 66 66 CYS CA C 66 59.700 60.419 -0.719 1
1 599 . 16 1 1 A 66 66 CYS CB C 66 32.200 28.574 3.626 1
1 600 . 16 1 1 A 66 66 CYS N N 66 121.200 117.780 3.420 1
1 601 . 16 1 1 A 67 67 HIS H H 67 7.700 7.282 0.418 1
1 602 . 16 1 1 A 67 67 HIS HA H 67 4.850 3.792 1.058 1
1 604 . 16 1 1 A 67 67 HIS C C 67 171.000 174.538 -3.538 1
1 605 . 16 1 1 A 67 67 HIS CA C 67 56.200 57.144 -0.944 1
1 606 . 16 1 1 A 67 67 HIS CB C 67 26.800 26.593 0.207 1
1 607 . 16 1 1 A 67 67 HIS N N 67 114.200 115.243 -1.043 1
1 608 . 16 1 1 A 68 68 ALA H H 68 8.720 7.850 0.870 1
1 609 . 16 1 1 A 68 68 ALA HA H 68 4.230 4.600 -0.370 1
1 613 . 16 1 1 A 68 68 ALA C C 68 177.800 177.061 0.739 1
1 614 . 16 1 1 A 68 68 ALA CA C 68 53.800 52.855 0.945 1
1 615 . 16 1 1 A 68 68 ALA CB C 68 19.800 20.087 -0.287 1
1 616 . 16 1 1 A 68 68 ALA N N 68 119.600 122.380 -2.780 1
1 617 . 16 1 1 A 69 69 PHE H H 69 8.500 8.785 -0.285 1
1 618 . 16 1 1 A 69 69 PHE HA H 69 4.590 5.050 -0.460 1
1 626 . 16 1 1 A 69 69 PHE C C 69 174.200 174.003 0.197 1
1 627 . 16 1 1 A 69 69 PHE CA C 69 58.300 59.368 -1.068 1
1 628 . 16 1 1 A 69 69 PHE CB C 69 40.900 38.972 1.928 1
1 634 . 16 1 1 A 69 69 PHE N N 69 122.200 122.925 -0.725 1
1 635 . 16 1 1 A 70 70 LEU H H 70 7.550 9.382 -1.832 1
1 636 . 16 1 1 A 70 70 LEU HA H 70 4.540 4.900 -0.360 1
1 645 . 16 1 1 A 70 70 LEU C C 70 176.000 174.797 1.203 1
1 646 . 16 1 1 A 70 70 LEU CA C 70 53.700 53.959 -0.259 1
1 647 . 16 1 1 A 70 70 LEU CB C 70 43.600 43.361 0.239 1
1 651 . 16 1 1 A 70 70 LEU N N 70 124.700 129.448 -4.748 1
1 652 . 16 1 1 A 71 71 VAL H H 71 9.700 8.443 1.257 1
1 653 . 16 1 1 A 71 71 VAL HA H 71 4.140 4.398 -0.258 1
1 661 . 16 1 1 A 71 71 VAL CA C 71 59.600 59.444 0.156 1
1 662 . 16 1 1 A 71 71 VAL CB C 71 34.000 35.415 -1.415 1
1 665 . 16 1 1 A 71 71 VAL N N 71 125.800 127.140 -1.340 1
1 666 . 16 1 1 A 72 72 PRO HA H 72 4.170 4.298 -0.128 1
1 673 . 16 1 1 A 72 72 PRO C C 72 176.200 177.402 -1.202 1
1 674 . 16 1 1 A 72 72 PRO CA C 72 64.100 63.659 0.441 1
1 675 . 16 1 1 A 72 72 PRO CB C 72 32.200 31.583 0.617 1
1 678 . 16 1 1 A 73 73 GLY H H 73 8.500 9.440 -0.940 1
1 679 . 16 1 1 A 73 73 GLY HA2 H 73 3.860 3.881 -0.021 1
1 680 . 16 1 1 A 73 73 GLY HA3 H 73 4.550 3.887 0.663 1
1 681 . 16 1 1 A 73 73 GLY CA C 73 45.700 45.493 0.207 1
1 682 . 16 1 1 A 73 73 GLY N N 73 112.200 111.215 0.985 1
1 683 . 16 1 1 A 74 74 ILE H H 74 8.360 7.689 0.671 1
1 684 . 16 1 1 A 74 74 ILE HA H 74 4.580 4.326 0.254 1
1 694 . 16 1 1 A 74 74 ILE C C 74 175.700 177.511 -1.811 1
1 695 . 16 1 1 A 74 74 ILE CA C 74 62.700 62.962 -0.262 1
1 696 . 16 1 1 A 74 74 ILE CB C 74 38.400 39.160 -0.760 1
1 700 . 16 1 1 A 74 74 ILE N N 74 120.200 119.831 0.369 1
1 701 . 16 1 1 A 75 75 ASN H H 75 8.470 8.308 0.162 1
1 702 . 16 1 1 A 75 75 ASN HA H 75 4.970 4.734 0.236 1
1 706 . 16 1 1 A 75 75 ASN C C 75 172.900 174.488 -1.588 1
1 707 . 16 1 1 A 75 75 ASN CA C 75 52.600 52.481 0.119 1
1 708 . 16 1 1 A 75 75 ASN CB C 75 38.600 38.419 0.181 1
1 709 . 16 1 1 A 75 75 ASN N N 75 116.400 115.013 1.387 1
1 711 . 16 1 1 A 76 76 ALA H H 76 7.250 7.688 -0.438 1
1 712 . 16 1 1 A 76 76 ALA HA H 76 5.510 5.158 0.352 1
1 716 . 16 1 1 A 76 76 ALA C C 76 176.200 175.085 1.115 1
1 717 . 16 1 1 A 76 76 ALA CA C 76 50.400 51.505 -1.105 1
1 718 . 16 1 1 A 76 76 ALA CB C 76 23.200 23.015 0.185 1
1 719 . 16 1 1 A 76 76 ALA N N 76 117.400 119.677 -2.277 1
1 720 . 16 1 1 A 77 77 ARG H H 77 8.850 9.085 -0.235 1
1 721 . 16 1 1 A 77 77 ARG HA H 77 4.950 5.154 -0.204 1
1 728 . 16 1 1 A 77 77 ARG CA C 77 54.800 54.554 0.246 1
1 729 . 16 1 1 A 77 77 ARG CB C 77 33.700 34.062 -0.362 1
1 732 . 16 1 1 A 77 77 ARG N N 77 123.000 121.780 1.220 1
1 733 . 16 1 1 A 78 78 VAL H H 78 8.920 8.992 -0.072 1
1 734 . 16 1 1 A 78 78 VAL HA H 78 4.730 5.329 -0.599 1
1 742 . 16 1 1 A 78 78 VAL CA C 78 61.400 59.621 1.779 1
1 743 . 16 1 1 A 78 78 VAL CB C 78 34.400 34.688 -0.288 1
1 746 . 16 1 1 A 78 78 VAL N N 78 127.400 124.678 2.722 1
1 747 . 16 1 1 A 79 79 ARG H H 79 9.000 8.849 0.151 1
1 748 . 16 1 1 A 79 79 ARG HA H 79 4.750 5.085 -0.335 1
1 754 . 16 1 1 A 79 79 ARG CA C 79 54.400 54.424 -0.024 1
1 755 . 16 1 1 A 79 79 ARG CB C 79 34.300 33.217 1.083 1
1 758 . 16 1 1 A 79 79 ARG N N 79 126.400 129.855 -3.455 1
1 759 . 16 1 1 A 80 80 LEU H H 80 8.480 9.187 -0.707 1
1 760 . 16 1 1 A 80 80 LEU HA H 80 4.690 5.063 -0.373 1
1 770 . 16 1 1 A 80 80 LEU CA C 80 54.600 53.790 0.810 1
1 771 . 16 1 1 A 80 80 LEU CB C 80 43.500 42.657 0.843 1
1 775 . 16 1 1 A 80 80 LEU N N 80 124.700 128.704 -4.004 1
1 776 . 16 1 1 A 81 81 ARG H H 81 8.800 9.302 -0.502 1
1 777 . 16 1 1 A 81 81 ARG HA H 81 4.540 4.933 -0.393 1
1 781 . 16 1 1 A 81 81 ARG CA C 81 54.600 54.605 -0.005 1
1 782 . 16 1 1 A 81 81 ARG CB C 81 31.600 33.406 -1.806 1
1 785 . 16 1 1 A 81 81 ARG N N 81 126.100 124.473 1.627 1
1 786 . 16 1 1 A 86 86 PRO HA H 86 4.700 4.871 -0.171 1
1 792 . 16 1 1 A 86 86 PRO C C 86 176.400 175.477 0.923 1
1 793 . 16 1 1 A 86 86 PRO CA C 86 64.000 62.840 1.160 1
1 794 . 16 1 1 A 86 86 PRO CB C 86 32.600 32.585 0.015 1
1 796 . 16 1 1 A 87 87 HIS H H 87 8.560 8.296 0.264 1
1 797 . 16 1 1 A 87 87 HIS HA H 87 5.140 5.079 0.061 1
1 800 . 16 1 1 A 87 87 HIS C C 87 172.600 173.233 -0.633 1
1 801 . 16 1 1 A 87 87 HIS CA C 87 56.000 55.814 0.186 1
1 802 . 16 1 1 A 87 87 HIS CB C 87 32.400 33.569 -1.169 1
1 803 . 16 1 1 A 87 87 HIS N N 87 118.700 122.454 -3.754 1
1 804 . 16 1 1 A 88 88 ILE H H 88 9.250 8.568 0.682 1
1 805 . 16 1 1 A 88 88 ILE HA H 88 4.710 5.094 -0.384 1
1 815 . 16 1 1 A 88 88 ILE CA C 88 60.200 59.012 1.188 1
1 816 . 16 1 1 A 88 88 ILE CB C 88 40.600 41.995 -1.395 1
1 820 . 16 1 1 A 88 88 ILE N N 88 120.600 122.346 -1.746 1
1 821 . 16 1 1 A 89 89 VAL H H 89 9.050 8.983 0.067 1
1 822 . 16 1 1 A 89 89 VAL HA H 89 4.800 5.017 -0.217 1
1 830 . 16 1 1 A 89 89 VAL C C 89 175.000 174.698 0.302 1
1 831 . 16 1 1 A 89 89 VAL CA C 89 61.400 60.033 1.367 1
1 832 . 16 1 1 A 89 89 VAL CB C 89 34.400 34.226 0.174 1
1 835 . 16 1 1 A 90 90 VAL H H 90 9.340 9.628 -0.288 1
1 836 . 16 1 1 A 90 90 VAL HA H 90 5.160 5.194 -0.034 1
1 844 . 16 1 1 A 90 90 VAL C C 90 173.600 175.022 -1.422 1
1 845 . 16 1 1 A 90 90 VAL CA C 90 61.400 60.778 0.622 1
1 846 . 16 1 1 A 90 90 VAL CB C 90 34.100 34.379 -0.279 1
1 849 . 16 1 1 A 90 90 VAL N N 90 128.000 125.771 2.229 1
1 850 . 16 1 1 A 91 91 LYS H H 91 9.030 8.975 0.055 1
1 851 . 16 1 1 A 91 91 LYS HA H 91 5.160 5.421 -0.261 1
1 858 . 16 1 1 A 91 91 LYS C C 91 175.300 174.481 0.819 1
1 859 . 16 1 1 A 91 91 LYS CA C 91 54.100 54.469 -0.369 1
1 860 . 16 1 1 A 91 91 LYS CB C 91 36.600 36.064 0.536 1
1 864 . 16 1 1 A 91 91 LYS N N 91 128.100 124.479 3.621 1
1 865 . 16 1 1 A 92 92 CYS H H 92 9.050 8.671 0.379 1
1 866 . 16 1 1 A 92 92 CYS HA H 92 4.950 5.196 -0.246 1
1 869 . 16 1 1 A 92 92 CYS C C 92 177.300 175.209 2.091 1
1 870 . 16 1 1 A 92 92 CYS CA C 92 59.600 57.006 2.594 1
1 871 . 16 1 1 A 92 92 CYS CB C 92 32.600 30.786 1.814 1
1 872 . 16 1 1 A 92 92 CYS N N 92 129.900 120.415 9.485 1
1 873 . 16 1 1 A 93 93 LEU H H 93 8.910 9.400 -0.490 1
1 874 . 16 1 1 A 93 93 LEU HA H 93 4.480 3.912 0.568 1
1 884 . 16 1 1 A 93 93 LEU C C 93 178.100 178.270 -0.170 1
1 885 . 16 1 1 A 93 93 LEU CA C 93 55.300 58.179 -2.879 1
1 886 . 16 1 1 A 93 93 LEU CB C 93 40.500 41.458 -0.958 1
1 890 . 16 1 1 A 93 93 LEU N N 93 127.300 130.055 -2.755 1
1 891 . 16 1 1 A 94 94 GLU H H 94 9.460 8.248 1.212 1
1 892 . 16 1 1 A 94 94 GLU HA H 94 4.420 4.103 0.317 1
1 897 . 16 1 1 A 94 94 GLU C C 94 178.400 179.394 -0.994 1
1 898 . 16 1 1 A 94 94 GLU CA C 94 59.700 59.228 0.472 1
1 899 . 16 1 1 A 94 94 GLU CB C 94 29.900 29.304 0.596 1
1 901 . 16 1 1 A 94 94 GLU N N 94 122.900 118.130 4.770 1
1 902 . 16 1 1 A 95 95 CYS H H 95 9.110 7.669 1.441 1
1 903 . 16 1 1 A 95 95 CYS HA H 95 5.140 4.491 0.649 1
1 906 . 16 1 1 A 95 95 CYS C C 95 176.900 175.301 1.599 1
1 907 . 16 1 1 A 95 95 CYS CA C 95 58.900 59.630 -0.730 1
1 908 . 16 1 1 A 95 95 CYS CB C 95 33.600 27.945 5.655 1
1 909 . 16 1 1 A 95 95 CYS N N 95 119.200 116.319 2.881 1
1 910 . 16 1 1 A 96 96 GLY H H 96 8.000 9.061 -1.061 1
1 911 . 16 1 1 A 96 96 GLY HA2 H 96 3.850 3.590 0.260 1
1 912 . 16 1 1 A 96 96 GLY C C 96 174.100 173.343 0.757 1
1 913 . 16 1 1 A 96 96 GLY CA C 96 46.500 45.581 0.919 1
1 914 . 16 1 1 A 96 96 GLY N N 96 115.300 109.864 5.436 1
1 915 . 16 1 1 A 97 97 HIS H H 97 9.310 7.388 1.922 1
1 916 . 16 1 1 A 97 97 HIS HA H 97 4.500 5.019 -0.519 1
1 919 . 16 1 1 A 97 97 HIS C C 97 173.200 173.190 0.010 1
1 920 . 16 1 1 A 97 97 HIS CA C 97 58.600 54.785 3.815 1
1 921 . 16 1 1 A 97 97 HIS CB C 97 33.000 33.530 -0.530 1
1 922 . 16 1 1 A 97 97 HIS N N 97 125.300 117.181 8.119 1
1 923 . 16 1 1 A 98 98 ILE H H 98 6.890 8.772 -1.882 1
1 924 . 16 1 1 A 98 98 ILE HA H 98 4.760 5.147 -0.387 1
1 934 . 16 1 1 A 98 98 ILE C C 98 175.000 174.120 0.880 1
1 935 . 16 1 1 A 98 98 ILE CA C 98 60.000 59.652 0.348 1
1 936 . 16 1 1 A 98 98 ILE CB C 98 40.200 40.667 -0.467 1
1 940 . 16 1 1 A 98 98 ILE N N 98 123.600 122.706 0.894 1
1 941 . 16 1 1 A 99 99 MET H H 99 9.050 9.993 -0.943 1
1 942 . 16 1 1 A 99 99 MET HA H 99 4.630 5.247 -0.617 1
1 950 . 16 1 1 A 99 99 MET C C 99 173.100 174.701 -1.601 1
1 951 . 16 1 1 A 99 99 MET CA C 99 54.400 54.160 0.240 1
1 952 . 16 1 1 A 99 99 MET CB C 99 37.900 36.162 1.738 1
1 955 . 16 1 1 A 99 99 MET N N 99 126.400 127.420 -1.020 1
1 956 . 16 1 1 A 100 100 ARG H H 100 7.930 8.635 -0.705 1
1 957 . 16 1 1 A 100 100 ARG HA H 100 5.370 4.685 0.685 1
1 963 . 16 1 1 A 100 100 ARG C C 100 175.200 174.869 0.331 1
1 964 . 16 1 1 A 100 100 ARG CA C 100 54.700 54.999 -0.299 1
1 965 . 16 1 1 A 100 100 ARG CB C 100 33.600 32.704 0.896 1
1 968 . 16 1 1 A 100 100 ARG N N 100 120.200 121.920 -1.720 1
1 969 . 16 1 1 A 101 101 TYR H H 101 9.110 8.893 0.217 1
1 970 . 16 1 1 A 101 101 TYR HA H 101 5.130 5.090 0.040 1
1 977 . 16 1 1 A 101 101 TYR CA C 101 55.300 54.968 0.332 1
1 978 . 16 1 1 A 101 101 TYR CB C 101 40.900 39.166 1.734 1
1 983 . 16 1 1 A 101 101 TYR N N 101 121.100 122.443 -1.343 1
1 1 . 17 1 1 A 18 18 ILE HA H 18 3.610 4.051 -0.441 1
1 11 . 17 1 1 A 18 18 ILE C C 18 176.800 177.557 -0.757 1
1 12 . 17 1 1 A 18 18 ILE CA C 18 66.700 63.005 3.695 1
1 13 . 17 1 1 A 18 18 ILE CB C 18 38.600 37.830 0.770 1
1 17 . 17 1 1 A 19 19 ASP H H 19 8.050 8.060 -0.010 1
1 18 . 17 1 1 A 19 19 ASP HA H 19 4.580 4.413 0.167 1
1 21 . 17 1 1 A 19 19 ASP CA C 19 58.200 57.899 0.301 1
1 22 . 17 1 1 A 19 19 ASP CB C 19 42.500 41.679 0.821 1
1 23 . 17 1 1 A 19 19 ASP N N 19 119.100 121.656 -2.556 1
1 24 . 17 1 1 A 20 20 ILE H H 20 8.240 7.646 0.594 1
1 25 . 17 1 1 A 20 20 ILE HA H 20 3.730 3.753 -0.023 1
1 35 . 17 1 1 A 20 20 ILE CA C 20 65.000 65.533 -0.533 1
1 36 . 17 1 1 A 20 20 ILE CB C 20 38.300 37.701 0.599 1
1 40 . 17 1 1 A 20 20 ILE N N 20 120.400 119.962 0.438 1
1 41 . 17 1 1 A 21 21 LEU H H 21 7.870 8.364 -0.494 1
1 42 . 17 1 1 A 21 21 LEU HA H 21 4.440 4.015 0.425 1
1 49 . 17 1 1 A 21 21 LEU C C 21 178.700 179.413 -0.713 1
1 50 . 17 1 1 A 21 21 LEU CA C 21 59.800 58.183 1.617 1
1 51 . 17 1 1 A 21 21 LEU CB C 21 42.200 41.900 0.300 1
1 54 . 17 1 1 A 21 21 LEU N N 21 121.100 118.901 2.199 1
1 55 . 17 1 1 A 22 22 PHE H H 22 7.820 8.662 -0.842 1
1 56 . 17 1 1 A 22 22 PHE HA H 22 3.480 4.348 -0.868 1
1 63 . 17 1 1 A 22 22 PHE C C 22 177.300 177.755 -0.455 1
1 64 . 17 1 1 A 22 22 PHE CA C 22 63.100 62.074 1.026 1
1 65 . 17 1 1 A 22 22 PHE CB C 22 36.400 39.261 -2.861 1
1 70 . 17 1 1 A 22 22 PHE N N 22 116.900 119.789 -2.889 1
1 71 . 17 1 1 A 23 23 SER H H 23 7.940 8.514 -0.574 1
1 72 . 17 1 1 A 23 23 SER HA H 23 4.520 4.203 0.317 1
1 75 . 17 1 1 A 23 23 SER C C 23 177.300 177.813 -0.513 1
1 76 . 17 1 1 A 23 23 SER CA C 23 63.500 61.727 1.773 1
1 77 . 17 1 1 A 23 23 SER CB C 23 62.900 62.438 0.462 1
1 78 . 17 1 1 A 23 23 SER N N 23 114.400 114.072 0.328 1
1 79 . 17 1 1 A 24 24 LEU H H 24 8.050 8.076 -0.026 1
1 80 . 17 1 1 A 24 24 LEU HA H 24 3.820 4.145 -0.325 1
1 89 . 17 1 1 A 24 24 LEU C C 24 178.200 178.981 -0.781 1
1 90 . 17 1 1 A 24 24 LEU CA C 24 58.100 57.581 0.519 1
1 91 . 17 1 1 A 24 24 LEU CB C 24 40.700 41.654 -0.954 1
1 95 . 17 1 1 A 24 24 LEU N N 24 124.700 122.438 2.262 1
1 96 . 17 1 1 A 25 25 ALA H H 25 7.590 8.904 -1.314 1
1 97 . 17 1 1 A 25 25 ALA HA H 25 3.820 4.184 -0.364 1
1 101 . 17 1 1 A 25 25 ALA C C 25 177.700 179.564 -1.864 1
1 102 . 17 1 1 A 25 25 ALA CA C 25 55.800 55.631 0.169 1
1 103 . 17 1 1 A 25 25 ALA CB C 25 18.400 18.361 0.039 1
1 104 . 17 1 1 A 25 25 ALA N N 25 122.400 122.238 0.162 1
1 105 . 17 1 1 A 26 26 GLU H H 26 7.690 7.963 -0.273 1
1 106 . 17 1 1 A 26 26 GLU HA H 26 4.270 3.757 0.513 1
1 111 . 17 1 1 A 26 26 GLU C C 26 178.600 178.549 0.051 1
1 112 . 17 1 1 A 26 26 GLU CA C 26 60.000 58.962 1.038 1
1 113 . 17 1 1 A 26 26 GLU CB C 26 31.100 29.006 2.094 1
1 115 . 17 1 1 A 26 26 GLU N N 26 116.000 119.145 -3.145 1
1 116 . 17 1 1 A 27 27 ARG H H 27 7.670 7.626 0.044 1
1 117 . 17 1 1 A 27 27 ARG HA H 27 4.190 4.110 0.080 1
1 122 . 17 1 1 A 27 27 ARG C C 27 178.400 178.290 0.110 1
1 123 . 17 1 1 A 27 27 ARG CA C 27 58.800 58.687 0.113 1
1 124 . 17 1 1 A 27 27 ARG CB C 27 30.700 29.864 0.836 1
1 127 . 17 1 1 A 27 27 ARG N N 27 116.700 120.572 -3.872 1
1 128 . 17 1 1 A 28 28 VAL H H 28 8.230 8.226 0.004 1
1 129 . 17 1 1 A 28 28 VAL HA H 28 4.530 3.802 0.728 1
1 137 . 17 1 1 A 28 28 VAL C C 28 176.500 178.056 -1.556 1
1 138 . 17 1 1 A 28 28 VAL CA C 28 62.600 65.100 -2.500 1
1 139 . 17 1 1 A 28 28 VAL CB C 28 33.000 31.271 1.729 1
1 142 . 17 1 1 A 28 28 VAL N N 28 112.600 118.633 -6.033 1
1 143 . 17 1 1 A 29 29 PHE H H 29 8.020 8.137 -0.117 1
1 144 . 17 1 1 A 29 29 PHE HA H 29 3.960 4.281 -0.321 1
1 151 . 17 1 1 A 29 29 PHE CA C 29 64.500 62.702 1.798 1
1 152 . 17 1 1 A 29 29 PHE CB C 29 37.300 36.891 0.409 1
1 157 . 17 1 1 A 29 29 PHE N N 29 124.600 122.487 2.113 1
1 158 . 17 1 1 A 30 30 PRO HA H 30 4.150 3.946 0.204 1
1 163 . 17 1 1 A 30 30 PRO C C 30 176.600 178.726 -2.126 1
1 164 . 17 1 1 A 30 30 PRO CA C 30 65.600 65.675 -0.075 1
1 165 . 17 1 1 A 30 30 PRO CB C 30 31.400 30.700 0.700 1
1 168 . 17 1 1 A 31 31 TYR H H 31 7.540 7.950 -0.410 1
1 169 . 17 1 1 A 31 31 TYR HA H 31 4.600 4.186 0.414 1
1 176 . 17 1 1 A 31 31 TYR C C 31 176.500 175.437 1.063 1
1 177 . 17 1 1 A 31 31 TYR CA C 31 58.300 61.469 -3.169 1
1 178 . 17 1 1 A 31 31 TYR CB C 31 39.400 39.170 0.230 1
1 183 . 17 1 1 A 31 31 TYR N N 31 113.500 119.219 -5.719 1
1 184 . 17 1 1 A 32 32 SER H H 32 8.210 8.111 0.099 1
1 185 . 17 1 1 A 32 32 SER HA H 32 4.770 4.615 0.155 1
1 188 . 17 1 1 A 32 32 SER CA C 32 55.700 55.728 -0.028 1
1 189 . 17 1 1 A 32 32 SER CB C 32 63.200 65.309 -2.109 1
1 190 . 17 1 1 A 32 32 SER N N 32 111.700 113.029 -1.329 1
1 191 . 17 1 1 A 33 33 PRO HA H 33 4.250 4.513 -0.263 1
1 195 . 17 1 1 A 33 33 PRO C C 33 179.000 178.904 0.096 1
1 196 . 17 1 1 A 33 33 PRO CA C 33 65.400 65.436 -0.036 1
1 197 . 17 1 1 A 33 33 PRO CB C 33 33.000 31.765 1.235 1
1 200 . 17 1 1 A 34 34 GLU H H 34 8.390 8.245 0.145 1
1 201 . 17 1 1 A 34 34 GLU HA H 34 4.130 4.146 -0.016 1
1 204 . 17 1 1 A 34 34 GLU C C 34 178.700 179.614 -0.914 1
1 205 . 17 1 1 A 34 34 GLU CA C 34 59.900 59.426 0.474 1
1 206 . 17 1 1 A 34 34 GLU CB C 34 30.000 29.294 0.706 1
1 208 . 17 1 1 A 34 34 GLU N N 34 118.500 117.867 0.633 1
1 209 . 17 1 1 A 35 35 LEU H H 35 7.970 8.360 -0.390 1
1 210 . 17 1 1 A 35 35 LEU HA H 35 4.070 4.000 0.070 1
1 217 . 17 1 1 A 35 35 LEU CA C 35 57.400 57.949 -0.549 1
1 218 . 17 1 1 A 35 35 LEU CB C 35 42.200 41.489 0.711 1
1 221 . 17 1 1 A 35 35 LEU N N 35 122.000 120.672 1.328 1
1 222 . 17 1 1 A 36 36 ALA H H 36 7.860 8.252 -0.392 1
1 223 . 17 1 1 A 36 36 ALA HA H 36 4.040 4.057 -0.017 1
1 227 . 17 1 1 A 36 36 ALA C C 36 178.600 179.112 -0.512 1
1 228 . 17 1 1 A 36 36 ALA CA C 36 56.400 55.330 1.070 1
1 229 . 17 1 1 A 36 36 ALA CB C 36 19.500 18.551 0.949 1
1 230 . 17 1 1 A 36 36 ALA N N 36 121.000 121.749 -0.749 1
1 231 . 17 1 1 A 37 37 LYS H H 37 7.910 8.391 -0.481 1
1 232 . 17 1 1 A 37 37 LYS HA H 37 4.300 3.971 0.329 1
1 237 . 17 1 1 A 37 37 LYS C C 37 177.800 178.940 -1.140 1
1 238 . 17 1 1 A 37 37 LYS CA C 37 59.700 59.846 -0.146 1
1 239 . 17 1 1 A 37 37 LYS CB C 37 32.400 32.730 -0.330 1
1 243 . 17 1 1 A 37 37 LYS N N 37 117.700 118.215 -0.515 1
1 244 . 17 1 1 A 38 38 ARG H H 38 7.640 7.599 0.041 1
1 245 . 17 1 1 A 38 38 ARG HA H 38 4.090 4.099 -0.009 1
1 251 . 17 1 1 A 38 38 ARG C C 38 179.600 178.939 0.661 1
1 252 . 17 1 1 A 38 38 ARG CA C 38 59.300 59.863 -0.563 1
1 253 . 17 1 1 A 38 38 ARG CB C 38 30.000 30.070 -0.070 1
1 256 . 17 1 1 A 38 38 ARG N N 38 118.200 118.766 -0.566 1
1 257 . 17 1 1 A 39 39 TYR H H 39 7.860 8.463 -0.603 1
1 258 . 17 1 1 A 39 39 TYR HA H 39 4.290 4.393 -0.103 1
1 264 . 17 1 1 A 39 39 TYR C C 39 177.800 178.518 -0.718 1
1 265 . 17 1 1 A 39 39 TYR CA C 39 62.500 60.397 2.103 1
1 266 . 17 1 1 A 39 39 TYR CB C 39 38.300 37.782 0.518 1
1 271 . 17 1 1 A 39 39 TYR N N 39 119.200 119.815 -0.615 1
1 272 . 17 1 1 A 40 40 VAL H H 40 7.960 8.892 -0.932 1
1 273 . 17 1 1 A 40 40 VAL HA H 40 2.750 3.479 -0.729 1
1 281 . 17 1 1 A 40 40 VAL C C 40 177.800 177.549 0.251 1
1 282 . 17 1 1 A 40 40 VAL CA C 40 67.300 66.428 0.872 1
1 283 . 17 1 1 A 40 40 VAL CB C 40 31.400 31.300 0.100 1
1 286 . 17 1 1 A 40 40 VAL N N 40 120.800 119.688 1.112 1
1 287 . 17 1 1 A 41 41 GLU H H 41 8.660 7.682 0.978 1
1 288 . 17 1 1 A 41 41 GLU HA H 41 3.680 3.851 -0.171 1
1 291 . 17 1 1 A 41 41 GLU C C 41 179.900 178.982 0.918 1
1 292 . 17 1 1 A 41 41 GLU CA C 41 60.500 59.234 1.266 1
1 293 . 17 1 1 A 41 41 GLU CB C 41 29.400 29.306 0.094 1
1 295 . 17 1 1 A 41 41 GLU N N 41 117.000 119.575 -2.575 1
1 296 . 17 1 1 A 42 42 LEU H H 42 7.960 7.791 0.169 1
1 297 . 17 1 1 A 42 42 LEU HA H 42 4.130 4.056 0.074 1
1 306 . 17 1 1 A 42 42 LEU C C 42 178.300 178.238 0.062 1
1 307 . 17 1 1 A 42 42 LEU CA C 42 58.000 57.722 0.278 1
1 308 . 17 1 1 A 42 42 LEU CB C 42 42.300 41.255 1.045 1
1 312 . 17 1 1 A 42 42 LEU N N 42 120.300 121.882 -1.582 1
1 313 . 17 1 1 A 43 43 ALA H H 43 8.040 7.782 0.258 1
1 314 . 17 1 1 A 43 43 ALA HA H 43 3.740 3.929 -0.189 1
1 318 . 17 1 1 A 43 43 ALA C C 43 179.400 179.803 -0.403 1
1 319 . 17 1 1 A 43 43 ALA CA C 43 55.700 55.165 0.535 1
1 320 . 17 1 1 A 43 43 ALA CB C 43 18.500 18.555 -0.055 1
1 321 . 17 1 1 A 43 43 ALA N N 43 123.600 120.975 2.625 1
1 322 . 17 1 1 A 44 44 LEU H H 44 8.340 8.614 -0.274 1
1 323 . 17 1 1 A 44 44 LEU HA H 44 4.070 3.781 0.289 1
1 333 . 17 1 1 A 44 44 LEU C C 44 180.000 178.582 1.418 1
1 334 . 17 1 1 A 44 44 LEU CA C 44 57.500 57.444 0.056 1
1 335 . 17 1 1 A 44 44 LEU CB C 44 40.800 41.234 -0.434 1
1 339 . 17 1 1 A 44 44 LEU N N 44 116.800 119.261 -2.461 1
1 340 . 17 1 1 A 45 45 LEU H H 45 7.860 8.622 -0.762 1
1 341 . 17 1 1 A 45 45 LEU HA H 45 4.170 3.911 0.259 1
1 351 . 17 1 1 A 45 45 LEU C C 45 179.600 178.677 0.923 1
1 352 . 17 1 1 A 45 45 LEU CA C 45 58.400 57.972 0.428 1
1 353 . 17 1 1 A 45 45 LEU CB C 45 42.200 41.810 0.390 1
1 357 . 17 1 1 A 45 45 LEU N N 45 122.600 118.123 4.477 1
1 358 . 17 1 1 A 46 46 VAL H H 46 8.070 8.174 -0.104 1
1 359 . 17 1 1 A 46 46 VAL HA H 46 3.610 3.444 0.166 1
1 367 . 17 1 1 A 46 46 VAL CA C 46 66.800 66.558 0.242 1
1 368 . 17 1 1 A 46 46 VAL CB C 46 31.600 31.122 0.478 1
1 370 . 17 1 1 A 46 46 VAL N N 46 120.100 118.986 1.114 1
1 371 . 17 1 1 A 47 47 GLN H H 47 8.360 7.919 0.441 1
1 372 . 17 1 1 A 47 47 GLN HA H 47 3.860 3.963 -0.103 1
1 378 . 17 1 1 A 47 47 GLN C C 47 178.000 178.037 -0.037 1
1 379 . 17 1 1 A 47 47 GLN CA C 47 60.200 59.266 0.934 1
1 380 . 17 1 1 A 47 47 GLN CB C 47 27.800 28.211 -0.411 1
1 382 . 17 1 1 A 47 47 GLN N N 47 120.000 119.470 0.530 1
1 384 . 17 1 1 A 48 48 GLN H H 48 8.110 7.808 0.302 1
1 385 . 17 1 1 A 48 48 GLN HA H 48 4.080 4.007 0.073 1
1 392 . 17 1 1 A 48 48 GLN C C 48 178.500 178.186 0.314 1
1 393 . 17 1 1 A 48 48 GLN CA C 48 58.900 58.747 0.153 1
1 394 . 17 1 1 A 48 48 GLN CB C 48 29.400 28.290 1.110 1
1 396 . 17 1 1 A 48 48 GLN N N 48 117.600 117.305 0.295 1
1 398 . 17 1 1 A 49 49 LYS H H 49 8.110 7.614 0.496 1
1 399 . 17 1 1 A 49 49 LYS HA H 49 4.190 4.044 0.146 1
1 405 . 17 1 1 A 49 49 LYS C C 49 177.800 178.648 -0.848 1
1 406 . 17 1 1 A 49 49 LYS CA C 49 58.600 58.859 -0.259 1
1 407 . 17 1 1 A 49 49 LYS CB C 49 33.000 32.322 0.678 1
1 411 . 17 1 1 A 49 49 LYS N N 49 118.100 119.552 -1.452 1
1 412 . 17 1 1 A 50 50 ALA H H 50 8.240 8.639 -0.399 1
1 413 . 17 1 1 A 50 50 ALA HA H 50 4.460 4.305 0.155 1
1 417 . 17 1 1 A 50 50 ALA C C 50 176.700 177.182 -0.482 1
1 418 . 17 1 1 A 50 50 ALA CA C 50 52.700 52.518 0.182 1
1 419 . 17 1 1 A 50 50 ALA CB C 50 21.100 19.338 1.762 1
1 420 . 17 1 1 A 50 50 ALA N N 50 119.000 119.369 -0.369 1
1 421 . 17 1 1 A 51 51 LYS H H 51 8.000 7.986 0.014 1
1 422 . 17 1 1 A 51 51 LYS HA H 51 4.030 3.952 0.078 1
1 429 . 17 1 1 A 51 51 LYS C C 51 175.800 175.097 0.703 1
1 430 . 17 1 1 A 51 51 LYS CA C 51 57.500 57.160 0.340 1
1 431 . 17 1 1 A 51 51 LYS CB C 51 29.500 30.934 -1.434 1
1 435 . 17 1 1 A 51 51 LYS N N 51 114.500 117.469 -2.969 1
1 436 . 17 1 1 A 52 52 VAL H H 52 7.000 7.620 -0.620 1
1 437 . 17 1 1 A 52 52 VAL HA H 52 4.570 4.416 0.154 1
1 445 . 17 1 1 A 52 52 VAL C C 52 175.000 174.871 0.129 1
1 446 . 17 1 1 A 52 52 VAL CA C 52 59.600 61.261 -1.661 1
1 447 . 17 1 1 A 52 52 VAL CB C 52 34.900 33.731 1.169 1
1 450 . 17 1 1 A 52 52 VAL N N 52 111.600 119.243 -7.643 1
1 451 . 17 1 1 A 53 53 LYS H H 53 8.150 8.742 -0.592 1
1 452 . 17 1 1 A 53 53 LYS HA H 53 4.510 4.623 -0.113 1
1 454 . 17 1 1 A 53 53 LYS C C 53 176.800 174.972 1.828 1
1 455 . 17 1 1 A 53 53 LYS CA C 53 55.700 56.317 -0.617 1
1 456 . 17 1 1 A 53 53 LYS CB C 53 34.000 33.177 0.823 1
1 457 . 17 1 1 A 53 53 LYS N N 53 120.800 127.320 -6.520 1
1 458 . 17 1 1 A 54 54 ILE H H 54 8.370 8.482 -0.112 1
1 459 . 17 1 1 A 54 54 ILE HA H 54 4.530 4.715 -0.185 1
1 469 . 17 1 1 A 54 54 ILE CA C 54 58.700 57.977 0.723 1
1 470 . 17 1 1 A 54 54 ILE CB C 54 38.400 40.156 -1.756 1
1 474 . 17 1 1 A 54 54 ILE N N 54 122.500 126.965 -4.465 1
1 475 . 17 1 1 A 57 57 LYS HA H 57 3.780 3.748 0.032 1
1 484 . 17 1 1 A 57 57 LYS C C 57 176.300 177.697 -1.397 1
1 485 . 17 1 1 A 57 57 LYS CA C 57 59.000 58.620 0.380 1
1 486 . 17 1 1 A 57 57 LYS CB C 57 32.300 31.591 0.709 1
1 490 . 17 1 1 A 58 58 TRP H H 58 7.250 7.343 -0.093 1
1 491 . 17 1 1 A 58 58 TRP HA H 58 4.850 4.560 0.290 1
1 500 . 17 1 1 A 58 58 TRP C C 58 176.800 178.190 -1.390 1
1 501 . 17 1 1 A 58 58 TRP CA C 58 55.400 58.682 -3.282 1
1 502 . 17 1 1 A 58 58 TRP CB C 58 31.300 30.966 0.334 1
1 508 . 17 1 1 A 58 58 TRP N N 58 116.300 118.041 -1.741 1
1 510 . 17 1 1 A 59 59 LYS H H 59 7.310 8.564 -1.254 1
1 511 . 17 1 1 A 59 59 LYS HA H 59 3.960 4.067 -0.107 1
1 517 . 17 1 1 A 59 59 LYS CA C 59 60.600 59.460 1.140 1
1 518 . 17 1 1 A 59 59 LYS CB C 59 33.500 31.977 1.523 1
1 522 . 17 1 1 A 59 59 LYS N N 59 118.600 119.850 -1.250 1
1 523 . 17 1 1 A 60 60 ARG HA H 60 4.540 4.422 0.118 1
1 528 . 17 1 1 A 60 60 ARG C C 60 177.200 177.018 0.182 1
1 529 . 17 1 1 A 60 60 ARG CA C 60 55.400 56.220 -0.820 1
1 530 . 17 1 1 A 60 60 ARG CB C 60 30.400 30.486 -0.086 1
1 533 . 17 1 1 A 61 61 ARG H H 61 7.620 7.503 0.117 1
1 534 . 17 1 1 A 61 61 ARG HA H 61 4.250 4.321 -0.071 1
1 537 . 17 1 1 A 61 61 ARG C C 61 172.300 174.587 -2.287 1
1 538 . 17 1 1 A 61 61 ARG CA C 61 54.400 55.188 -0.788 1
1 539 . 17 1 1 A 61 61 ARG CB C 61 27.900 30.039 -2.139 1
1 541 . 17 1 1 A 61 61 ARG N N 61 116.000 117.737 -1.737 1
1 542 . 17 1 1 A 62 62 TYR H H 62 6.980 7.583 -0.603 1
1 543 . 17 1 1 A 62 62 TYR HA H 62 5.860 5.501 0.359 1
1 550 . 17 1 1 A 62 62 TYR C C 62 173.100 172.370 0.730 1
1 551 . 17 1 1 A 62 62 TYR CA C 62 55.000 56.080 -1.080 1
1 552 . 17 1 1 A 62 62 TYR CB C 62 43.000 40.930 2.070 1
1 557 . 17 1 1 A 62 62 TYR N N 62 112.300 116.011 -3.711 1
1 558 . 17 1 1 A 63 63 CYS H H 63 9.220 8.174 1.046 1
1 559 . 17 1 1 A 63 63 CYS HA H 63 4.280 4.466 -0.186 1
1 562 . 17 1 1 A 63 63 CYS C C 63 178.000 175.441 2.559 1
1 563 . 17 1 1 A 63 63 CYS CA C 63 59.900 57.824 2.076 1
1 564 . 17 1 1 A 63 63 CYS CB C 63 32.300 28.821 3.479 1
1 565 . 17 1 1 A 63 63 CYS N N 63 124.100 120.695 3.405 1
1 566 . 17 1 1 A 64 64 LYS H H 64 7.820 8.659 -0.839 1
1 567 . 17 1 1 A 64 64 LYS HA H 64 4.240 3.828 0.412 1
1 571 . 17 1 1 A 64 64 LYS C C 64 175.400 177.676 -2.276 1
1 572 . 17 1 1 A 64 64 LYS CA C 64 59.500 59.418 0.082 1
1 573 . 17 1 1 A 64 64 LYS CB C 64 33.600 32.153 1.447 1
1 577 . 17 1 1 A 64 64 LYS N N 64 129.300 126.851 2.449 1
1 578 . 17 1 1 A 65 65 LYS H H 65 9.270 7.694 1.576 1
1 579 . 17 1 1 A 65 65 LYS HA H 65 4.250 4.154 0.096 1
1 586 . 17 1 1 A 65 65 LYS C C 65 176.300 178.580 -2.280 1
1 587 . 17 1 1 A 65 65 LYS CA C 65 58.500 57.031 1.469 1
1 588 . 17 1 1 A 65 65 LYS CB C 65 33.700 33.871 -0.171 1
1 592 . 17 1 1 A 65 65 LYS N N 65 122.500 117.963 4.537 1
1 593 . 17 1 1 A 66 66 CYS H H 66 9.190 7.809 1.381 1
1 594 . 17 1 1 A 66 66 CYS HA H 66 4.560 4.224 0.336 1
1 597 . 17 1 1 A 66 66 CYS C C 66 176.200 174.942 1.258 1
1 598 . 17 1 1 A 66 66 CYS CA C 66 59.700 63.582 -3.882 1
1 599 . 17 1 1 A 66 66 CYS CB C 66 32.200 27.755 4.445 1
1 600 . 17 1 1 A 66 66 CYS N N 66 121.200 117.805 3.395 1
1 601 . 17 1 1 A 67 67 HIS H H 67 7.700 7.653 0.047 1
1 602 . 17 1 1 A 67 67 HIS HA H 67 4.850 4.336 0.514 1
1 604 . 17 1 1 A 67 67 HIS C C 67 171.000 173.851 -2.851 1
1 605 . 17 1 1 A 67 67 HIS CA C 67 56.200 57.199 -0.999 1
1 606 . 17 1 1 A 67 67 HIS CB C 67 26.800 26.873 -0.073 1
1 607 . 17 1 1 A 67 67 HIS N N 67 114.200 115.913 -1.713 1
1 608 . 17 1 1 A 68 68 ALA H H 68 8.720 7.669 1.051 1
1 609 . 17 1 1 A 68 68 ALA HA H 68 4.230 4.950 -0.720 1
1 613 . 17 1 1 A 68 68 ALA C C 68 177.800 176.121 1.679 1
1 614 . 17 1 1 A 68 68 ALA CA C 68 53.800 50.400 3.400 1
1 615 . 17 1 1 A 68 68 ALA CB C 68 19.800 22.566 -2.766 1
1 616 . 17 1 1 A 68 68 ALA N N 68 119.600 119.867 -0.267 1
1 617 . 17 1 1 A 69 69 PHE H H 69 8.500 8.754 -0.254 1
1 618 . 17 1 1 A 69 69 PHE HA H 69 4.590 5.113 -0.523 1
1 626 . 17 1 1 A 69 69 PHE C C 69 174.200 173.728 0.472 1
1 627 . 17 1 1 A 69 69 PHE CA C 69 58.300 59.643 -1.343 1
1 628 . 17 1 1 A 69 69 PHE CB C 69 40.900 39.223 1.677 1
1 634 . 17 1 1 A 69 69 PHE N N 69 122.200 121.140 1.060 1
1 635 . 17 1 1 A 70 70 LEU H H 70 7.550 8.923 -1.373 1
1 636 . 17 1 1 A 70 70 LEU HA H 70 4.540 5.249 -0.709 1
1 645 . 17 1 1 A 70 70 LEU C C 70 176.000 175.410 0.590 1
1 646 . 17 1 1 A 70 70 LEU CA C 70 53.700 53.762 -0.062 1
1 647 . 17 1 1 A 70 70 LEU CB C 70 43.600 44.210 -0.610 1
1 651 . 17 1 1 A 70 70 LEU N N 70 124.700 129.281 -4.581 1
1 652 . 17 1 1 A 71 71 VAL H H 71 9.700 9.016 0.684 1
1 653 . 17 1 1 A 71 71 VAL HA H 71 4.140 4.702 -0.562 1
1 661 . 17 1 1 A 71 71 VAL CA C 71 59.600 59.187 0.413 1
1 662 . 17 1 1 A 71 71 VAL CB C 71 34.000 36.243 -2.243 1
1 665 . 17 1 1 A 71 71 VAL N N 71 125.800 127.696 -1.896 1
1 666 . 17 1 1 A 72 72 PRO HA H 72 4.170 4.529 -0.359 1
1 673 . 17 1 1 A 72 72 PRO C C 72 176.200 177.346 -1.146 1
1 674 . 17 1 1 A 72 72 PRO CA C 72 64.100 63.751 0.349 1
1 675 . 17 1 1 A 72 72 PRO CB C 72 32.200 31.673 0.527 1
1 678 . 17 1 1 A 73 73 GLY H H 73 8.500 9.359 -0.859 1
1 679 . 17 1 1 A 73 73 GLY HA2 H 73 3.860 3.863 -0.003 1
1 680 . 17 1 1 A 73 73 GLY HA3 H 73 4.550 3.877 0.673 1
1 681 . 17 1 1 A 73 73 GLY CA C 73 45.700 45.364 0.336 1
1 682 . 17 1 1 A 73 73 GLY N N 73 112.200 111.055 1.145 1
1 683 . 17 1 1 A 74 74 ILE H H 74 8.360 7.438 0.922 1
1 684 . 17 1 1 A 74 74 ILE HA H 74 4.580 4.093 0.487 1
1 694 . 17 1 1 A 74 74 ILE C C 74 175.700 177.535 -1.835 1
1 695 . 17 1 1 A 74 74 ILE CA C 74 62.700 62.907 -0.207 1
1 696 . 17 1 1 A 74 74 ILE CB C 74 38.400 38.393 0.007 1
1 700 . 17 1 1 A 74 74 ILE N N 74 120.200 120.416 -0.216 1
1 701 . 17 1 1 A 75 75 ASN H H 75 8.470 8.472 -0.002 1
1 702 . 17 1 1 A 75 75 ASN HA H 75 4.970 4.916 0.054 1
1 706 . 17 1 1 A 75 75 ASN C C 75 172.900 174.545 -1.645 1
1 707 . 17 1 1 A 75 75 ASN CA C 75 52.600 53.060 -0.460 1
1 708 . 17 1 1 A 75 75 ASN CB C 75 38.600 38.504 0.096 1
1 709 . 17 1 1 A 75 75 ASN N N 75 116.400 115.645 0.755 1
1 711 . 17 1 1 A 76 76 ALA H H 76 7.250 7.730 -0.480 1
1 712 . 17 1 1 A 76 76 ALA HA H 76 5.510 5.307 0.203 1
1 716 . 17 1 1 A 76 76 ALA C C 76 176.200 174.983 1.217 1
1 717 . 17 1 1 A 76 76 ALA CA C 76 50.400 51.540 -1.140 1
1 718 . 17 1 1 A 76 76 ALA CB C 76 23.200 23.038 0.162 1
1 719 . 17 1 1 A 76 76 ALA N N 76 117.400 119.813 -2.413 1
1 720 . 17 1 1 A 77 77 ARG H H 77 8.850 8.809 0.041 1
1 721 . 17 1 1 A 77 77 ARG HA H 77 4.950 5.156 -0.206 1
1 728 . 17 1 1 A 77 77 ARG CA C 77 54.800 54.561 0.239 1
1 729 . 17 1 1 A 77 77 ARG CB C 77 33.700 34.115 -0.415 1
1 732 . 17 1 1 A 77 77 ARG N N 77 123.000 122.241 0.759 1
1 733 . 17 1 1 A 78 78 VAL H H 78 8.920 8.989 -0.069 1
1 734 . 17 1 1 A 78 78 VAL HA H 78 4.730 5.369 -0.639 1
1 742 . 17 1 1 A 78 78 VAL CA C 78 61.400 59.646 1.754 1
1 743 . 17 1 1 A 78 78 VAL CB C 78 34.400 34.731 -0.331 1
1 746 . 17 1 1 A 78 78 VAL N N 78 127.400 124.769 2.631 1
1 747 . 17 1 1 A 79 79 ARG H H 79 9.000 9.051 -0.051 1
1 748 . 17 1 1 A 79 79 ARG HA H 79 4.750 5.070 -0.320 1
1 754 . 17 1 1 A 79 79 ARG CA C 79 54.400 54.424 -0.024 1
1 755 . 17 1 1 A 79 79 ARG CB C 79 34.300 33.244 1.056 1
1 758 . 17 1 1 A 79 79 ARG N N 79 126.400 129.869 -3.469 1
1 759 . 17 1 1 A 80 80 LEU H H 80 8.480 9.203 -0.723 1
1 760 . 17 1 1 A 80 80 LEU HA H 80 4.690 4.970 -0.280 1
1 770 . 17 1 1 A 80 80 LEU CA C 80 54.600 53.763 0.837 1
1 771 . 17 1 1 A 80 80 LEU CB C 80 43.500 42.792 0.708 1
1 775 . 17 1 1 A 80 80 LEU N N 80 124.700 128.349 -3.649 1
1 776 . 17 1 1 A 81 81 ARG H H 81 8.800 9.029 -0.229 1
1 777 . 17 1 1 A 81 81 ARG HA H 81 4.540 4.911 -0.371 1
1 781 . 17 1 1 A 81 81 ARG CA C 81 54.600 54.811 -0.211 1
1 782 . 17 1 1 A 81 81 ARG CB C 81 31.600 33.022 -1.422 1
1 785 . 17 1 1 A 81 81 ARG N N 81 126.100 124.592 1.508 1
1 786 . 17 1 1 A 86 86 PRO HA H 86 4.700 4.710 -0.010 1
1 792 . 17 1 1 A 86 86 PRO C C 86 176.400 175.666 0.734 1
1 793 . 17 1 1 A 86 86 PRO CA C 86 64.000 62.605 1.395 1
1 794 . 17 1 1 A 86 86 PRO CB C 86 32.600 32.518 0.082 1
1 796 . 17 1 1 A 87 87 HIS H H 87 8.560 7.970 0.590 1
1 797 . 17 1 1 A 87 87 HIS HA H 87 5.140 5.063 0.077 1
1 800 . 17 1 1 A 87 87 HIS C C 87 172.600 174.258 -1.658 1
1 801 . 17 1 1 A 87 87 HIS CA C 87 56.000 54.708 1.292 1
1 802 . 17 1 1 A 87 87 HIS CB C 87 32.400 33.956 -1.556 1
1 803 . 17 1 1 A 87 87 HIS N N 87 118.700 120.991 -2.291 1
1 804 . 17 1 1 A 88 88 ILE H H 88 9.250 8.787 0.463 1
1 805 . 17 1 1 A 88 88 ILE HA H 88 4.710 5.154 -0.444 1
1 815 . 17 1 1 A 88 88 ILE CA C 88 60.200 59.181 1.019 1
1 816 . 17 1 1 A 88 88 ILE CB C 88 40.600 41.718 -1.118 1
1 820 . 17 1 1 A 88 88 ILE N N 88 120.600 116.730 3.870 1
1 821 . 17 1 1 A 89 89 VAL H H 89 9.050 8.914 0.136 1
1 822 . 17 1 1 A 89 89 VAL HA H 89 4.800 5.112 -0.312 1
1 830 . 17 1 1 A 89 89 VAL C C 89 175.000 174.610 0.390 1
1 831 . 17 1 1 A 89 89 VAL CA C 89 61.400 59.980 1.420 1
1 832 . 17 1 1 A 89 89 VAL CB C 89 34.400 34.404 -0.004 1
1 835 . 17 1 1 A 90 90 VAL H H 90 9.340 9.807 -0.467 1
1 836 . 17 1 1 A 90 90 VAL HA H 90 5.160 5.388 -0.228 1
1 844 . 17 1 1 A 90 90 VAL C C 90 173.600 175.274 -1.674 1
1 845 . 17 1 1 A 90 90 VAL CA C 90 61.400 60.859 0.541 1
1 846 . 17 1 1 A 90 90 VAL CB C 90 34.100 34.525 -0.425 1
1 849 . 17 1 1 A 90 90 VAL N N 90 128.000 125.382 2.618 1
1 850 . 17 1 1 A 91 91 LYS H H 91 9.030 9.433 -0.403 1
1 851 . 17 1 1 A 91 91 LYS HA H 91 5.160 5.099 0.061 1
1 858 . 17 1 1 A 91 91 LYS C C 91 175.300 175.226 0.074 1
1 859 . 17 1 1 A 91 91 LYS CA C 91 54.100 54.570 -0.470 1
1 860 . 17 1 1 A 91 91 LYS CB C 91 36.600 35.226 1.374 1
1 864 . 17 1 1 A 91 91 LYS N N 91 128.100 125.958 2.142 1
1 865 . 17 1 1 A 92 92 CYS H H 92 9.050 9.519 -0.469 1
1 866 . 17 1 1 A 92 92 CYS HA H 92 4.950 4.627 0.323 1
1 869 . 17 1 1 A 92 92 CYS C C 92 177.300 174.662 2.638 1
1 870 . 17 1 1 A 92 92 CYS CA C 92 59.600 58.104 1.496 1
1 871 . 17 1 1 A 92 92 CYS CB C 92 32.600 28.033 4.567 1
1 872 . 17 1 1 A 92 92 CYS N N 92 129.900 122.597 7.303 1
1 873 . 17 1 1 A 93 93 LEU H H 93 8.910 9.016 -0.106 1
1 874 . 17 1 1 A 93 93 LEU HA H 93 4.480 3.983 0.497 1
1 884 . 17 1 1 A 93 93 LEU C C 93 178.100 178.416 -0.316 1
1 885 . 17 1 1 A 93 93 LEU CA C 93 55.300 58.231 -2.931 1
1 886 . 17 1 1 A 93 93 LEU CB C 93 40.500 41.684 -1.184 1
1 890 . 17 1 1 A 93 93 LEU N N 93 127.300 126.430 0.870 1
1 891 . 17 1 1 A 94 94 GLU H H 94 9.460 8.303 1.157 1
1 892 . 17 1 1 A 94 94 GLU HA H 94 4.420 4.094 0.326 1
1 897 . 17 1 1 A 94 94 GLU C C 94 178.400 179.341 -0.941 1
1 898 . 17 1 1 A 94 94 GLU CA C 94 59.700 59.358 0.342 1
1 899 . 17 1 1 A 94 94 GLU CB C 94 29.900 29.641 0.259 1
1 901 . 17 1 1 A 94 94 GLU N N 94 122.900 118.078 4.822 1
1 902 . 17 1 1 A 95 95 CYS H H 95 9.110 7.840 1.270 1
1 903 . 17 1 1 A 95 95 CYS HA H 95 5.140 4.564 0.576 1
1 906 . 17 1 1 A 95 95 CYS C C 95 176.900 175.589 1.311 1
1 907 . 17 1 1 A 95 95 CYS CA C 95 58.900 59.653 -0.753 1
1 908 . 17 1 1 A 95 95 CYS CB C 95 33.600 27.954 5.646 1
1 909 . 17 1 1 A 95 95 CYS N N 95 119.200 115.645 3.555 1
1 910 . 17 1 1 A 96 96 GLY H H 96 8.000 8.690 -0.690 1
1 911 . 17 1 1 A 96 96 GLY HA2 H 96 3.850 3.755 0.095 1
1 912 . 17 1 1 A 96 96 GLY C C 96 174.100 173.347 0.753 1
1 913 . 17 1 1 A 96 96 GLY CA C 96 46.500 45.651 0.849 1
1 914 . 17 1 1 A 96 96 GLY N N 96 115.300 109.983 5.317 1
1 915 . 17 1 1 A 97 97 HIS H H 97 9.310 7.916 1.394 1
1 916 . 17 1 1 A 97 97 HIS HA H 97 4.500 5.067 -0.567 1
1 919 . 17 1 1 A 97 97 HIS C C 97 173.200 173.723 -0.523 1
1 920 . 17 1 1 A 97 97 HIS CA C 97 58.600 54.705 3.895 1
1 921 . 17 1 1 A 97 97 HIS CB C 97 33.000 33.748 -0.748 1
1 922 . 17 1 1 A 97 97 HIS N N 97 125.300 116.997 8.303 1
1 923 . 17 1 1 A 98 98 ILE H H 98 6.890 8.744 -1.854 1
1 924 . 17 1 1 A 98 98 ILE HA H 98 4.760 4.696 0.064 1
1 934 . 17 1 1 A 98 98 ILE C C 98 175.000 174.468 0.532 1
1 935 . 17 1 1 A 98 98 ILE CA C 98 60.000 60.553 -0.553 1
1 936 . 17 1 1 A 98 98 ILE CB C 98 40.200 40.390 -0.190 1
1 940 . 17 1 1 A 98 98 ILE N N 98 123.600 123.673 -0.073 1
1 941 . 17 1 1 A 99 99 MET H H 99 9.050 9.763 -0.713 1
1 942 . 17 1 1 A 99 99 MET HA H 99 4.630 5.112 -0.482 1
1 950 . 17 1 1 A 99 99 MET C C 99 173.100 174.545 -1.445 1
1 951 . 17 1 1 A 99 99 MET CA C 99 54.400 54.183 0.217 1
1 952 . 17 1 1 A 99 99 MET CB C 99 37.900 35.754 2.146 1
1 955 . 17 1 1 A 99 99 MET N N 99 126.400 129.558 -3.158 1
1 956 . 17 1 1 A 100 100 ARG H H 100 7.930 8.949 -1.019 1
1 957 . 17 1 1 A 100 100 ARG HA H 100 5.370 4.775 0.595 1
1 963 . 17 1 1 A 100 100 ARG C C 100 175.200 174.438 0.762 1
1 964 . 17 1 1 A 100 100 ARG CA C 100 54.700 55.047 -0.347 1
1 965 . 17 1 1 A 100 100 ARG CB C 100 33.600 32.726 0.874 1
1 968 . 17 1 1 A 100 100 ARG N N 100 120.200 125.773 -5.573 1
1 969 . 17 1 1 A 101 101 TYR H H 101 9.110 9.098 0.012 1
1 970 . 17 1 1 A 101 101 TYR HA H 101 5.130 5.254 -0.124 1
1 977 . 17 1 1 A 101 101 TYR CA C 101 55.300 55.413 -0.113 1
1 978 . 17 1 1 A 101 101 TYR CB C 101 40.900 40.464 0.436 1
1 983 . 17 1 1 A 101 101 TYR N N 101 121.100 123.772 -2.672 1
1 1 . 18 1 1 A 18 18 ILE HA H 18 3.610 4.056 -0.446 1
1 11 . 18 1 1 A 18 18 ILE C C 18 176.800 177.572 -0.772 1
1 12 . 18 1 1 A 18 18 ILE CA C 18 66.700 63.026 3.674 1
1 13 . 18 1 1 A 18 18 ILE CB C 18 38.600 37.840 0.760 1
1 17 . 18 1 1 A 19 19 ASP H H 19 8.050 8.025 0.025 1
1 18 . 18 1 1 A 19 19 ASP HA H 19 4.580 4.638 -0.058 1
1 21 . 18 1 1 A 19 19 ASP CA C 19 58.200 57.535 0.665 1
1 22 . 18 1 1 A 19 19 ASP CB C 19 42.500 40.913 1.587 1
1 23 . 18 1 1 A 19 19 ASP N N 19 119.100 121.449 -2.349 1
1 24 . 18 1 1 A 20 20 ILE H H 20 8.240 7.745 0.495 1
1 25 . 18 1 1 A 20 20 ILE HA H 20 3.730 3.730 0.000 1
1 35 . 18 1 1 A 20 20 ILE CA C 20 65.000 65.519 -0.519 1
1 36 . 18 1 1 A 20 20 ILE CB C 20 38.300 37.770 0.530 1
1 40 . 18 1 1 A 20 20 ILE N N 20 120.400 120.332 0.068 1
1 41 . 18 1 1 A 21 21 LEU H H 21 7.870 8.011 -0.141 1
1 42 . 18 1 1 A 21 21 LEU HA H 21 4.440 4.075 0.365 1
1 49 . 18 1 1 A 21 21 LEU C C 21 178.700 178.912 -0.212 1
1 50 . 18 1 1 A 21 21 LEU CA C 21 59.800 58.089 1.711 1
1 51 . 18 1 1 A 21 21 LEU CB C 21 42.200 41.545 0.655 1
1 54 . 18 1 1 A 21 21 LEU N N 21 121.100 121.265 -0.165 1
1 55 . 18 1 1 A 22 22 PHE H H 22 7.820 8.684 -0.864 1
1 56 . 18 1 1 A 22 22 PHE HA H 22 3.480 4.310 -0.830 1
1 63 . 18 1 1 A 22 22 PHE C C 22 177.300 177.553 -0.253 1
1 64 . 18 1 1 A 22 22 PHE CA C 22 63.100 62.087 1.013 1
1 65 . 18 1 1 A 22 22 PHE CB C 22 36.400 39.246 -2.846 1
1 70 . 18 1 1 A 22 22 PHE N N 22 116.900 119.832 -2.932 1
1 71 . 18 1 1 A 23 23 SER H H 23 7.940 8.174 -0.234 1
1 72 . 18 1 1 A 23 23 SER HA H 23 4.520 4.180 0.340 1
1 75 . 18 1 1 A 23 23 SER C C 23 177.300 177.566 -0.266 1
1 76 . 18 1 1 A 23 23 SER CA C 23 63.500 61.526 1.974 1
1 77 . 18 1 1 A 23 23 SER CB C 23 62.900 62.989 -0.089 1
1 78 . 18 1 1 A 23 23 SER N N 23 114.400 114.466 -0.066 1
1 79 . 18 1 1 A 24 24 LEU H H 24 8.050 8.019 0.031 1
1 80 . 18 1 1 A 24 24 LEU HA H 24 3.820 3.965 -0.145 1
1 89 . 18 1 1 A 24 24 LEU C C 24 178.200 178.864 -0.664 1
1 90 . 18 1 1 A 24 24 LEU CA C 24 58.100 57.445 0.655 1
1 91 . 18 1 1 A 24 24 LEU CB C 24 40.700 41.455 -0.755 1
1 95 . 18 1 1 A 24 24 LEU N N 24 124.700 120.823 3.877 1
1 96 . 18 1 1 A 25 25 ALA H H 25 7.590 8.959 -1.369 1
1 97 . 18 1 1 A 25 25 ALA HA H 25 3.820 4.069 -0.249 1
1 101 . 18 1 1 A 25 25 ALA C C 25 177.700 179.545 -1.845 1
1 102 . 18 1 1 A 25 25 ALA CA C 25 55.800 55.703 0.097 1
1 103 . 18 1 1 A 25 25 ALA CB C 25 18.400 18.299 0.101 1
1 104 . 18 1 1 A 25 25 ALA N N 25 122.400 122.165 0.235 1
1 105 . 18 1 1 A 26 26 GLU H H 26 7.690 8.158 -0.468 1
1 106 . 18 1 1 A 26 26 GLU HA H 26 4.270 3.868 0.402 1
1 111 . 18 1 1 A 26 26 GLU C C 26 178.600 178.568 0.032 1
1 112 . 18 1 1 A 26 26 GLU CA C 26 60.000 59.132 0.868 1
1 113 . 18 1 1 A 26 26 GLU CB C 26 31.100 29.131 1.969 1
1 115 . 18 1 1 A 26 26 GLU N N 26 116.000 119.158 -3.158 1
1 116 . 18 1 1 A 27 27 ARG H H 27 7.670 7.874 -0.204 1
1 117 . 18 1 1 A 27 27 ARG HA H 27 4.190 4.051 0.139 1
1 122 . 18 1 1 A 27 27 ARG C C 27 178.400 178.110 0.290 1
1 123 . 18 1 1 A 27 27 ARG CA C 27 58.800 58.564 0.236 1
1 124 . 18 1 1 A 27 27 ARG CB C 27 30.700 29.730 0.970 1
1 127 . 18 1 1 A 27 27 ARG N N 27 116.700 120.438 -3.738 1
1 128 . 18 1 1 A 28 28 VAL H H 28 8.230 7.877 0.353 1
1 129 . 18 1 1 A 28 28 VAL HA H 28 4.530 3.589 0.941 1
1 137 . 18 1 1 A 28 28 VAL C C 28 176.500 177.912 -1.412 1
1 138 . 18 1 1 A 28 28 VAL CA C 28 62.600 64.910 -2.310 1
1 139 . 18 1 1 A 28 28 VAL CB C 28 33.000 31.377 1.623 1
1 142 . 18 1 1 A 28 28 VAL N N 28 112.600 118.476 -5.876 1
1 143 . 18 1 1 A 29 29 PHE H H 29 8.020 8.194 -0.174 1
1 144 . 18 1 1 A 29 29 PHE HA H 29 3.960 4.355 -0.395 1
1 151 . 18 1 1 A 29 29 PHE CA C 29 64.500 62.647 1.853 1
1 152 . 18 1 1 A 29 29 PHE CB C 29 37.300 37.047 0.253 1
1 157 . 18 1 1 A 29 29 PHE N N 29 124.600 122.343 2.257 1
1 158 . 18 1 1 A 30 30 PRO HA H 30 4.150 4.304 -0.154 1
1 163 . 18 1 1 A 30 30 PRO C C 30 176.600 178.716 -2.116 1
1 164 . 18 1 1 A 30 30 PRO CA C 30 65.600 65.946 -0.346 1
1 165 . 18 1 1 A 30 30 PRO CB C 30 31.400 30.973 0.427 1
1 168 . 18 1 1 A 31 31 TYR H H 31 7.540 8.744 -1.204 1
1 169 . 18 1 1 A 31 31 TYR HA H 31 4.600 4.301 0.299 1
1 176 . 18 1 1 A 31 31 TYR C C 31 176.500 176.549 -0.049 1
1 177 . 18 1 1 A 31 31 TYR CA C 31 58.300 60.743 -2.443 1
1 178 . 18 1 1 A 31 31 TYR CB C 31 39.400 38.208 1.192 1
1 183 . 18 1 1 A 31 31 TYR N N 31 113.500 117.824 -4.324 1
1 184 . 18 1 1 A 32 32 SER H H 32 8.210 7.974 0.236 1
1 185 . 18 1 1 A 32 32 SER HA H 32 4.770 4.704 0.066 1
1 188 . 18 1 1 A 32 32 SER CA C 32 55.700 55.696 0.004 1
1 189 . 18 1 1 A 32 32 SER CB C 32 63.200 65.821 -2.621 1
1 190 . 18 1 1 A 32 32 SER N N 32 111.700 111.200 0.500 1
1 191 . 18 1 1 A 33 33 PRO HA H 33 4.250 3.910 0.340 1
1 195 . 18 1 1 A 33 33 PRO C C 33 179.000 177.687 1.313 1
1 196 . 18 1 1 A 33 33 PRO CA C 33 65.400 65.166 0.234 1
1 197 . 18 1 1 A 33 33 PRO CB C 33 33.000 31.608 1.392 1
1 200 . 18 1 1 A 34 34 GLU H H 34 8.390 7.933 0.457 1
1 201 . 18 1 1 A 34 34 GLU HA H 34 4.130 4.082 0.048 1
1 204 . 18 1 1 A 34 34 GLU C C 34 178.700 179.145 -0.445 1
1 205 . 18 1 1 A 34 34 GLU CA C 34 59.900 59.563 0.337 1
1 206 . 18 1 1 A 34 34 GLU CB C 34 30.000 29.441 0.559 1
1 208 . 18 1 1 A 34 34 GLU N N 34 118.500 118.287 0.213 1
1 209 . 18 1 1 A 35 35 LEU H H 35 7.970 8.324 -0.354 1
1 210 . 18 1 1 A 35 35 LEU HA H 35 4.070 3.958 0.112 1
1 217 . 18 1 1 A 35 35 LEU CA C 35 57.400 58.003 -0.603 1
1 218 . 18 1 1 A 35 35 LEU CB C 35 42.200 41.688 0.512 1
1 221 . 18 1 1 A 35 35 LEU N N 35 122.000 121.124 0.876 1
1 222 . 18 1 1 A 36 36 ALA H H 36 7.860 8.232 -0.372 1
1 223 . 18 1 1 A 36 36 ALA HA H 36 4.040 4.206 -0.166 1
1 227 . 18 1 1 A 36 36 ALA C C 36 178.600 179.136 -0.536 1
1 228 . 18 1 1 A 36 36 ALA CA C 36 56.400 55.450 0.950 1
1 229 . 18 1 1 A 36 36 ALA CB C 36 19.500 18.196 1.304 1
1 230 . 18 1 1 A 36 36 ALA N N 36 121.000 121.855 -0.855 1
1 231 . 18 1 1 A 37 37 LYS H H 37 7.910 7.972 -0.062 1
1 232 . 18 1 1 A 37 37 LYS HA H 37 4.300 4.003 0.297 1
1 237 . 18 1 1 A 37 37 LYS C C 37 177.800 178.859 -1.059 1
1 238 . 18 1 1 A 37 37 LYS CA C 37 59.700 59.773 -0.073 1
1 239 . 18 1 1 A 37 37 LYS CB C 37 32.400 32.697 -0.297 1
1 243 . 18 1 1 A 37 37 LYS N N 37 117.700 118.094 -0.394 1
1 244 . 18 1 1 A 38 38 ARG H H 38 7.640 7.445 0.195 1
1 245 . 18 1 1 A 38 38 ARG HA H 38 4.090 3.975 0.115 1
1 251 . 18 1 1 A 38 38 ARG C C 38 179.600 178.784 0.816 1
1 252 . 18 1 1 A 38 38 ARG CA C 38 59.300 59.421 -0.121 1
1 253 . 18 1 1 A 38 38 ARG CB C 38 30.000 29.667 0.333 1
1 256 . 18 1 1 A 38 38 ARG N N 38 118.200 118.606 -0.406 1
1 257 . 18 1 1 A 39 39 TYR H H 39 7.860 7.714 0.146 1
1 258 . 18 1 1 A 39 39 TYR HA H 39 4.290 4.384 -0.094 1
1 264 . 18 1 1 A 39 39 TYR C C 39 177.800 178.399 -0.599 1
1 265 . 18 1 1 A 39 39 TYR CA C 39 62.500 60.657 1.843 1
1 266 . 18 1 1 A 39 39 TYR CB C 39 38.300 37.847 0.453 1
1 271 . 18 1 1 A 39 39 TYR N N 39 119.200 119.729 -0.529 1
1 272 . 18 1 1 A 40 40 VAL H H 40 7.960 9.047 -1.087 1
1 273 . 18 1 1 A 40 40 VAL HA H 40 2.750 3.582 -0.832 1
1 281 . 18 1 1 A 40 40 VAL C C 40 177.800 177.555 0.245 1
1 282 . 18 1 1 A 40 40 VAL CA C 40 67.300 66.583 0.717 1
1 283 . 18 1 1 A 40 40 VAL CB C 40 31.400 31.369 0.031 1
1 286 . 18 1 1 A 40 40 VAL N N 40 120.800 120.114 0.686 1
1 287 . 18 1 1 A 41 41 GLU H H 41 8.660 7.913 0.747 1
1 288 . 18 1 1 A 41 41 GLU HA H 41 3.680 3.919 -0.239 1
1 291 . 18 1 1 A 41 41 GLU C C 41 179.900 179.164 0.736 1
1 292 . 18 1 1 A 41 41 GLU CA C 41 60.500 59.263 1.237 1
1 293 . 18 1 1 A 41 41 GLU CB C 41 29.400 29.484 -0.084 1
1 295 . 18 1 1 A 41 41 GLU N N 41 117.000 119.711 -2.711 1
1 296 . 18 1 1 A 42 42 LEU H H 42 7.960 7.615 0.345 1
1 297 . 18 1 1 A 42 42 LEU HA H 42 4.130 4.091 0.039 1
1 306 . 18 1 1 A 42 42 LEU C C 42 178.300 178.290 0.010 1
1 307 . 18 1 1 A 42 42 LEU CA C 42 58.000 57.778 0.222 1
1 308 . 18 1 1 A 42 42 LEU CB C 42 42.300 41.414 0.886 1
1 312 . 18 1 1 A 42 42 LEU N N 42 120.300 121.945 -1.645 1
1 313 . 18 1 1 A 43 43 ALA H H 43 8.040 7.693 0.347 1
1 314 . 18 1 1 A 43 43 ALA HA H 43 3.740 3.944 -0.204 1
1 318 . 18 1 1 A 43 43 ALA C C 43 179.400 180.078 -0.678 1
1 319 . 18 1 1 A 43 43 ALA CA C 43 55.700 55.312 0.388 1
1 320 . 18 1 1 A 43 43 ALA CB C 43 18.500 18.590 -0.090 1
1 321 . 18 1 1 A 43 43 ALA N N 43 123.600 120.943 2.657 1
1 322 . 18 1 1 A 44 44 LEU H H 44 8.340 7.770 0.570 1
1 323 . 18 1 1 A 44 44 LEU HA H 44 4.070 3.846 0.224 1
1 333 . 18 1 1 A 44 44 LEU C C 44 180.000 179.452 0.548 1
1 334 . 18 1 1 A 44 44 LEU CA C 44 57.500 57.707 -0.207 1
1 335 . 18 1 1 A 44 44 LEU CB C 44 40.800 41.780 -0.980 1
1 339 . 18 1 1 A 44 44 LEU N N 44 116.800 118.316 -1.516 1
1 340 . 18 1 1 A 45 45 LEU H H 45 7.860 8.023 -0.163 1
1 341 . 18 1 1 A 45 45 LEU HA H 45 4.170 3.979 0.191 1
1 351 . 18 1 1 A 45 45 LEU C C 45 179.600 178.781 0.819 1
1 352 . 18 1 1 A 45 45 LEU CA C 45 58.400 58.036 0.364 1
1 353 . 18 1 1 A 45 45 LEU CB C 45 42.200 41.866 0.334 1
1 357 . 18 1 1 A 45 45 LEU N N 45 122.600 118.765 3.835 1
1 358 . 18 1 1 A 46 46 VAL H H 46 8.070 8.609 -0.539 1
1 359 . 18 1 1 A 46 46 VAL HA H 46 3.610 3.487 0.123 1
1 367 . 18 1 1 A 46 46 VAL CA C 46 66.800 66.637 0.163 1
1 368 . 18 1 1 A 46 46 VAL CB C 46 31.600 31.180 0.420 1
1 370 . 18 1 1 A 46 46 VAL N N 46 120.100 119.044 1.056 1
1 371 . 18 1 1 A 47 47 GLN H H 47 8.360 8.027 0.333 1
1 372 . 18 1 1 A 47 47 GLN HA H 47 3.860 3.986 -0.126 1
1 378 . 18 1 1 A 47 47 GLN C C 47 178.000 178.103 -0.103 1
1 379 . 18 1 1 A 47 47 GLN CA C 47 60.200 59.320 0.880 1
1 380 . 18 1 1 A 47 47 GLN CB C 47 27.800 28.264 -0.464 1
1 382 . 18 1 1 A 47 47 GLN N N 47 120.000 119.496 0.504 1
1 384 . 18 1 1 A 48 48 GLN H H 48 8.110 7.935 0.175 1
1 385 . 18 1 1 A 48 48 GLN HA H 48 4.080 4.051 0.029 1
1 392 . 18 1 1 A 48 48 GLN C C 48 178.500 178.218 0.282 1
1 393 . 18 1 1 A 48 48 GLN CA C 48 58.900 58.779 0.121 1
1 394 . 18 1 1 A 48 48 GLN CB C 48 29.400 28.393 1.007 1
1 396 . 18 1 1 A 48 48 GLN N N 48 117.600 117.374 0.226 1
1 398 . 18 1 1 A 49 49 LYS H H 49 8.110 7.852 0.258 1
1 399 . 18 1 1 A 49 49 LYS HA H 49 4.190 4.034 0.156 1
1 405 . 18 1 1 A 49 49 LYS C C 49 177.800 179.198 -1.398 1
1 406 . 18 1 1 A 49 49 LYS CA C 49 58.600 59.266 -0.666 1
1 407 . 18 1 1 A 49 49 LYS CB C 49 33.000 32.142 0.858 1
1 411 . 18 1 1 A 49 49 LYS N N 49 118.100 119.546 -1.446 1
1 412 . 18 1 1 A 50 50 ALA H H 50 8.240 8.427 -0.187 1
1 413 . 18 1 1 A 50 50 ALA HA H 50 4.460 4.325 0.135 1
1 417 . 18 1 1 A 50 50 ALA C C 50 176.700 177.248 -0.548 1
1 418 . 18 1 1 A 50 50 ALA CA C 50 52.700 52.538 0.162 1
1 419 . 18 1 1 A 50 50 ALA CB C 50 21.100 19.426 1.674 1
1 420 . 18 1 1 A 50 50 ALA N N 50 119.000 118.717 0.283 1
1 421 . 18 1 1 A 51 51 LYS H H 51 8.000 7.800 0.200 1
1 422 . 18 1 1 A 51 51 LYS HA H 51 4.030 3.966 0.064 1
1 429 . 18 1 1 A 51 51 LYS C C 51 175.800 175.299 0.501 1
1 430 . 18 1 1 A 51 51 LYS CA C 51 57.500 57.066 0.434 1
1 431 . 18 1 1 A 51 51 LYS CB C 51 29.500 30.995 -1.495 1
1 435 . 18 1 1 A 51 51 LYS N N 51 114.500 117.660 -3.160 1
1 436 . 18 1 1 A 52 52 VAL H H 52 7.000 7.338 -0.338 1
1 437 . 18 1 1 A 52 52 VAL HA H 52 4.570 4.810 -0.240 1
1 445 . 18 1 1 A 52 52 VAL C C 52 175.000 174.415 0.585 1
1 446 . 18 1 1 A 52 52 VAL CA C 52 59.600 60.112 -0.512 1
1 447 . 18 1 1 A 52 52 VAL CB C 52 34.900 34.556 0.344 1
1 450 . 18 1 1 A 52 52 VAL N N 52 111.600 113.775 -2.175 1
1 451 . 18 1 1 A 53 53 LYS H H 53 8.150 8.816 -0.666 1
1 452 . 18 1 1 A 53 53 LYS HA H 53 4.510 4.905 -0.395 1
1 454 . 18 1 1 A 53 53 LYS C C 53 176.800 176.019 0.781 1
1 455 . 18 1 1 A 53 53 LYS CA C 53 55.700 55.290 0.410 1
1 456 . 18 1 1 A 53 53 LYS CB C 53 34.000 34.490 -0.490 1
1 457 . 18 1 1 A 53 53 LYS N N 53 120.800 124.325 -3.525 1
1 458 . 18 1 1 A 54 54 ILE H H 54 8.370 8.487 -0.117 1
1 459 . 18 1 1 A 54 54 ILE HA H 54 4.530 4.707 -0.177 1
1 469 . 18 1 1 A 54 54 ILE CA C 54 58.700 57.430 1.270 1
1 470 . 18 1 1 A 54 54 ILE CB C 54 38.400 40.762 -2.362 1
1 474 . 18 1 1 A 54 54 ILE N N 54 122.500 119.818 2.682 1
1 475 . 18 1 1 A 57 57 LYS HA H 57 3.780 3.751 0.029 1
1 484 . 18 1 1 A 57 57 LYS C C 57 176.300 177.892 -1.592 1
1 485 . 18 1 1 A 57 57 LYS CA C 57 59.000 58.705 0.295 1
1 486 . 18 1 1 A 57 57 LYS CB C 57 32.300 31.845 0.455 1
1 490 . 18 1 1 A 58 58 TRP H H 58 7.250 7.371 -0.121 1
1 491 . 18 1 1 A 58 58 TRP HA H 58 4.850 4.487 0.363 1
1 500 . 18 1 1 A 58 58 TRP C C 58 176.800 177.604 -0.804 1
1 501 . 18 1 1 A 58 58 TRP CA C 58 55.400 58.596 -3.196 1
1 502 . 18 1 1 A 58 58 TRP CB C 58 31.300 31.025 0.275 1
1 508 . 18 1 1 A 58 58 TRP N N 58 116.300 117.485 -1.185 1
1 510 . 18 1 1 A 59 59 LYS H H 59 7.310 8.398 -1.088 1
1 511 . 18 1 1 A 59 59 LYS HA H 59 3.960 3.319 0.641 1
1 517 . 18 1 1 A 59 59 LYS CA C 59 60.600 58.944 1.656 1
1 518 . 18 1 1 A 59 59 LYS CB C 59 33.500 31.850 1.650 1
1 522 . 18 1 1 A 59 59 LYS N N 59 118.600 119.501 -0.901 1
1 523 . 18 1 1 A 60 60 ARG HA H 60 4.540 4.373 0.167 1
1 528 . 18 1 1 A 60 60 ARG C C 60 177.200 177.304 -0.104 1
1 529 . 18 1 1 A 60 60 ARG CA C 60 55.400 55.886 -0.486 1
1 530 . 18 1 1 A 60 60 ARG CB C 60 30.400 30.525 -0.125 1
1 533 . 18 1 1 A 61 61 ARG H H 61 7.620 7.345 0.275 1
1 534 . 18 1 1 A 61 61 ARG HA H 61 4.250 4.417 -0.167 1
1 537 . 18 1 1 A 61 61 ARG C C 61 172.300 174.877 -2.577 1
1 538 . 18 1 1 A 61 61 ARG CA C 61 54.400 55.323 -0.923 1
1 539 . 18 1 1 A 61 61 ARG CB C 61 27.900 30.127 -2.227 1
1 541 . 18 1 1 A 61 61 ARG N N 61 116.000 116.798 -0.798 1
1 542 . 18 1 1 A 62 62 TYR H H 62 6.980 7.760 -0.780 1
1 543 . 18 1 1 A 62 62 TYR HA H 62 5.860 5.704 0.156 1
1 550 . 18 1 1 A 62 62 TYR C C 62 173.100 173.080 0.020 1
1 551 . 18 1 1 A 62 62 TYR CA C 62 55.000 55.513 -0.513 1
1 552 . 18 1 1 A 62 62 TYR CB C 62 43.000 41.559 1.441 1
1 557 . 18 1 1 A 62 62 TYR N N 62 112.300 116.199 -3.899 1
1 558 . 18 1 1 A 63 63 CYS H H 63 9.220 8.588 0.632 1
1 559 . 18 1 1 A 63 63 CYS HA H 63 4.280 4.635 -0.355 1
1 562 . 18 1 1 A 63 63 CYS C C 63 178.000 175.544 2.456 1
1 563 . 18 1 1 A 63 63 CYS CA C 63 59.900 59.082 0.818 1
1 564 . 18 1 1 A 63 63 CYS CB C 63 32.300 28.387 3.913 1
1 565 . 18 1 1 A 63 63 CYS N N 63 124.100 120.398 3.702 1
1 566 . 18 1 1 A 64 64 LYS H H 64 7.820 8.783 -0.963 1
1 567 . 18 1 1 A 64 64 LYS HA H 64 4.240 3.759 0.481 1
1 571 . 18 1 1 A 64 64 LYS C C 64 175.400 177.614 -2.214 1
1 572 . 18 1 1 A 64 64 LYS CA C 64 59.500 59.360 0.140 1
1 573 . 18 1 1 A 64 64 LYS CB C 64 33.600 32.187 1.413 1
1 577 . 18 1 1 A 64 64 LYS N N 64 129.300 126.889 2.411 1
1 578 . 18 1 1 A 65 65 LYS H H 65 9.270 7.673 1.597 1
1 579 . 18 1 1 A 65 65 LYS HA H 65 4.250 4.379 -0.129 1
1 586 . 18 1 1 A 65 65 LYS C C 65 176.300 178.720 -2.420 1
1 587 . 18 1 1 A 65 65 LYS CA C 65 58.500 57.184 1.316 1
1 588 . 18 1 1 A 65 65 LYS CB C 65 33.700 33.988 -0.288 1
1 592 . 18 1 1 A 65 65 LYS N N 65 122.500 118.007 4.493 1
1 593 . 18 1 1 A 66 66 CYS H H 66 9.190 7.725 1.465 1
1 594 . 18 1 1 A 66 66 CYS HA H 66 4.560 4.463 0.097 1
1 597 . 18 1 1 A 66 66 CYS C C 66 176.200 175.046 1.154 1
1 598 . 18 1 1 A 66 66 CYS CA C 66 59.700 63.313 -3.613 1
1 599 . 18 1 1 A 66 66 CYS CB C 66 32.200 27.940 4.260 1
1 600 . 18 1 1 A 66 66 CYS N N 66 121.200 118.100 3.100 1
1 601 . 18 1 1 A 67 67 HIS H H 67 7.700 7.496 0.204 1
1 602 . 18 1 1 A 67 67 HIS HA H 67 4.850 3.900 0.950 1
1 604 . 18 1 1 A 67 67 HIS C C 67 171.000 174.242 -3.242 1
1 605 . 18 1 1 A 67 67 HIS CA C 67 56.200 57.334 -1.134 1
1 606 . 18 1 1 A 67 67 HIS CB C 67 26.800 26.835 -0.035 1
1 607 . 18 1 1 A 67 67 HIS N N 67 114.200 115.654 -1.454 1
1 608 . 18 1 1 A 68 68 ALA H H 68 8.720 7.933 0.787 1
1 609 . 18 1 1 A 68 68 ALA HA H 68 4.230 4.826 -0.596 1
1 613 . 18 1 1 A 68 68 ALA C C 68 177.800 177.169 0.631 1
1 614 . 18 1 1 A 68 68 ALA CA C 68 53.800 51.495 2.305 1
1 615 . 18 1 1 A 68 68 ALA CB C 68 19.800 21.402 -1.602 1
1 616 . 18 1 1 A 68 68 ALA N N 68 119.600 122.260 -2.660 1
1 617 . 18 1 1 A 69 69 PHE H H 69 8.500 8.778 -0.278 1
1 618 . 18 1 1 A 69 69 PHE HA H 69 4.590 4.971 -0.381 1
1 626 . 18 1 1 A 69 69 PHE C C 69 174.200 174.009 0.191 1
1 627 . 18 1 1 A 69 69 PHE CA C 69 58.300 59.418 -1.118 1
1 628 . 18 1 1 A 69 69 PHE CB C 69 40.900 38.818 2.082 1
1 634 . 18 1 1 A 69 69 PHE N N 69 122.200 121.103 1.097 1
1 635 . 18 1 1 A 70 70 LEU H H 70 7.550 9.838 -2.288 1
1 636 . 18 1 1 A 70 70 LEU HA H 70 4.540 5.094 -0.554 1
1 645 . 18 1 1 A 70 70 LEU C C 70 176.000 175.198 0.802 1
1 646 . 18 1 1 A 70 70 LEU CA C 70 53.700 54.084 -0.384 1
1 647 . 18 1 1 A 70 70 LEU CB C 70 43.600 43.759 -0.159 1
1 651 . 18 1 1 A 70 70 LEU N N 70 124.700 129.913 -5.213 1
1 652 . 18 1 1 A 71 71 VAL H H 71 9.700 8.479 1.221 1
1 653 . 18 1 1 A 71 71 VAL HA H 71 4.140 4.582 -0.442 1
1 661 . 18 1 1 A 71 71 VAL CA C 71 59.600 59.332 0.268 1
1 662 . 18 1 1 A 71 71 VAL CB C 71 34.000 35.405 -1.405 1
1 665 . 18 1 1 A 71 71 VAL N N 71 125.800 127.151 -1.351 1
1 666 . 18 1 1 A 72 72 PRO HA H 72 4.170 4.341 -0.171 1
1 673 . 18 1 1 A 72 72 PRO C C 72 176.200 177.523 -1.323 1
1 674 . 18 1 1 A 72 72 PRO CA C 72 64.100 63.649 0.451 1
1 675 . 18 1 1 A 72 72 PRO CB C 72 32.200 31.651 0.549 1
1 678 . 18 1 1 A 73 73 GLY H H 73 8.500 9.355 -0.855 1
1 679 . 18 1 1 A 73 73 GLY HA2 H 73 3.860 3.936 -0.076 1
1 680 . 18 1 1 A 73 73 GLY HA3 H 73 4.550 3.937 0.613 1
1 681 . 18 1 1 A 73 73 GLY CA C 73 45.700 45.566 0.134 1
1 682 . 18 1 1 A 73 73 GLY N N 73 112.200 111.259 0.941 1
1 683 . 18 1 1 A 74 74 ILE H H 74 8.360 7.747 0.613 1
1 684 . 18 1 1 A 74 74 ILE HA H 74 4.580 4.328 0.252 1
1 694 . 18 1 1 A 74 74 ILE C C 74 175.700 177.541 -1.841 1
1 695 . 18 1 1 A 74 74 ILE CA C 74 62.700 62.959 -0.259 1
1 696 . 18 1 1 A 74 74 ILE CB C 74 38.400 39.122 -0.722 1
1 700 . 18 1 1 A 74 74 ILE N N 74 120.200 119.820 0.380 1
1 701 . 18 1 1 A 75 75 ASN H H 75 8.470 8.413 0.057 1
1 702 . 18 1 1 A 75 75 ASN HA H 75 4.970 4.791 0.179 1
1 706 . 18 1 1 A 75 75 ASN C C 75 172.900 174.606 -1.706 1
1 707 . 18 1 1 A 75 75 ASN CA C 75 52.600 52.759 -0.159 1
1 708 . 18 1 1 A 75 75 ASN CB C 75 38.600 38.571 0.029 1
1 709 . 18 1 1 A 75 75 ASN N N 75 116.400 115.672 0.728 1
1 711 . 18 1 1 A 76 76 ALA H H 76 7.250 7.732 -0.482 1
1 712 . 18 1 1 A 76 76 ALA HA H 76 5.510 5.205 0.305 1
1 716 . 18 1 1 A 76 76 ALA C C 76 176.200 175.021 1.179 1
1 717 . 18 1 1 A 76 76 ALA CA C 76 50.400 51.534 -1.134 1
1 718 . 18 1 1 A 76 76 ALA CB C 76 23.200 23.050 0.150 1
1 719 . 18 1 1 A 76 76 ALA N N 76 117.400 119.801 -2.401 1
1 720 . 18 1 1 A 77 77 ARG H H 77 8.850 9.218 -0.368 1
1 721 . 18 1 1 A 77 77 ARG HA H 77 4.950 5.206 -0.256 1
1 728 . 18 1 1 A 77 77 ARG CA C 77 54.800 54.516 0.284 1
1 729 . 18 1 1 A 77 77 ARG CB C 77 33.700 34.095 -0.395 1
1 732 . 18 1 1 A 77 77 ARG N N 77 123.000 122.109 0.891 1
1 733 . 18 1 1 A 78 78 VAL H H 78 8.920 9.020 -0.100 1
1 734 . 18 1 1 A 78 78 VAL HA H 78 4.730 5.327 -0.597 1
1 742 . 18 1 1 A 78 78 VAL CA C 78 61.400 59.669 1.731 1
1 743 . 18 1 1 A 78 78 VAL CB C 78 34.400 34.720 -0.320 1
1 746 . 18 1 1 A 78 78 VAL N N 78 127.400 124.711 2.689 1
1 747 . 18 1 1 A 79 79 ARG H H 79 9.000 9.013 -0.013 1
1 748 . 18 1 1 A 79 79 ARG HA H 79 4.750 5.108 -0.358 1
1 754 . 18 1 1 A 79 79 ARG CA C 79 54.400 54.573 -0.173 1
1 755 . 18 1 1 A 79 79 ARG CB C 79 34.300 33.367 0.933 1
1 758 . 18 1 1 A 79 79 ARG N N 79 126.400 130.169 -3.769 1
1 759 . 18 1 1 A 80 80 LEU H H 80 8.480 9.266 -0.786 1
1 760 . 18 1 1 A 80 80 LEU HA H 80 4.690 5.125 -0.435 1
1 770 . 18 1 1 A 80 80 LEU CA C 80 54.600 53.705 0.895 1
1 771 . 18 1 1 A 80 80 LEU CB C 80 43.500 42.760 0.740 1
1 775 . 18 1 1 A 80 80 LEU N N 80 124.700 128.306 -3.606 1
1 776 . 18 1 1 A 81 81 ARG H H 81 8.800 9.220 -0.420 1
1 777 . 18 1 1 A 81 81 ARG HA H 81 4.540 4.916 -0.376 1
1 781 . 18 1 1 A 81 81 ARG CA C 81 54.600 54.591 0.009 1
1 782 . 18 1 1 A 81 81 ARG CB C 81 31.600 33.085 -1.485 1
1 785 . 18 1 1 A 81 81 ARG N N 81 126.100 124.379 1.721 1
1 786 . 18 1 1 A 86 86 PRO HA H 86 4.700 4.685 0.015 1
1 792 . 18 1 1 A 86 86 PRO C C 86 176.400 175.918 0.482 1
1 793 . 18 1 1 A 86 86 PRO CA C 86 64.000 62.660 1.340 1
1 794 . 18 1 1 A 86 86 PRO CB C 86 32.600 32.569 0.031 1
1 796 . 18 1 1 A 87 87 HIS H H 87 8.560 8.081 0.479 1
1 797 . 18 1 1 A 87 87 HIS HA H 87 5.140 5.072 0.068 1
1 800 . 18 1 1 A 87 87 HIS C C 87 172.600 174.417 -1.817 1
1 801 . 18 1 1 A 87 87 HIS CA C 87 56.000 54.732 1.268 1
1 802 . 18 1 1 A 87 87 HIS CB C 87 32.400 33.983 -1.583 1
1 803 . 18 1 1 A 87 87 HIS N N 87 118.700 120.990 -2.290 1
1 804 . 18 1 1 A 88 88 ILE H H 88 9.250 8.766 0.484 1
1 805 . 18 1 1 A 88 88 ILE HA H 88 4.710 5.233 -0.523 1
1 815 . 18 1 1 A 88 88 ILE CA C 88 60.200 59.198 1.002 1
1 816 . 18 1 1 A 88 88 ILE CB C 88 40.600 41.886 -1.286 1
1 820 . 18 1 1 A 88 88 ILE N N 88 120.600 116.767 3.833 1
1 821 . 18 1 1 A 89 89 VAL H H 89 9.050 9.050 0.000 1
1 822 . 18 1 1 A 89 89 VAL HA H 89 4.800 5.110 -0.310 1
1 830 . 18 1 1 A 89 89 VAL C C 89 175.000 174.617 0.383 1
1 831 . 18 1 1 A 89 89 VAL CA C 89 61.400 60.021 1.379 1
1 832 . 18 1 1 A 89 89 VAL CB C 89 34.400 34.395 0.005 1
1 835 . 18 1 1 A 90 90 VAL H H 90 9.340 9.425 -0.085 1
1 836 . 18 1 1 A 90 90 VAL HA H 90 5.160 5.332 -0.172 1
1 844 . 18 1 1 A 90 90 VAL C C 90 173.600 175.315 -1.715 1
1 845 . 18 1 1 A 90 90 VAL CA C 90 61.400 60.788 0.612 1
1 846 . 18 1 1 A 90 90 VAL CB C 90 34.100 34.546 -0.446 1
1 849 . 18 1 1 A 90 90 VAL N N 90 128.000 125.408 2.592 1
1 850 . 18 1 1 A 91 91 LYS H H 91 9.030 9.209 -0.179 1
1 851 . 18 1 1 A 91 91 LYS HA H 91 5.160 5.427 -0.267 1
1 858 . 18 1 1 A 91 91 LYS C C 91 175.300 175.473 -0.173 1
1 859 . 18 1 1 A 91 91 LYS CA C 91 54.100 54.450 -0.350 1
1 860 . 18 1 1 A 91 91 LYS CB C 91 36.600 36.048 0.552 1
1 864 . 18 1 1 A 91 91 LYS N N 91 128.100 124.572 3.528 1
1 865 . 18 1 1 A 92 92 CYS H H 92 9.050 8.403 0.647 1
1 866 . 18 1 1 A 92 92 CYS HA H 92 4.950 5.341 -0.391 1
1 869 . 18 1 1 A 92 92 CYS C C 92 177.300 175.018 2.282 1
1 870 . 18 1 1 A 92 92 CYS CA C 92 59.600 57.553 2.047 1
1 871 . 18 1 1 A 92 92 CYS CB C 92 32.600 29.872 2.728 1
1 872 . 18 1 1 A 92 92 CYS N N 92 129.900 119.650 10.250 1
1 873 . 18 1 1 A 93 93 LEU H H 93 8.910 9.351 -0.441 1
1 874 . 18 1 1 A 93 93 LEU HA H 93 4.480 3.917 0.563 1
1 884 . 18 1 1 A 93 93 LEU C C 93 178.100 178.340 -0.240 1
1 885 . 18 1 1 A 93 93 LEU CA C 93 55.300 58.224 -2.924 1
1 886 . 18 1 1 A 93 93 LEU CB C 93 40.500 41.608 -1.108 1
1 890 . 18 1 1 A 93 93 LEU N N 93 127.300 124.719 2.581 1
1 891 . 18 1 1 A 94 94 GLU H H 94 9.460 8.313 1.147 1
1 892 . 18 1 1 A 94 94 GLU HA H 94 4.420 4.030 0.390 1
1 897 . 18 1 1 A 94 94 GLU C C 94 178.400 179.257 -0.857 1
1 898 . 18 1 1 A 94 94 GLU CA C 94 59.700 59.401 0.299 1
1 899 . 18 1 1 A 94 94 GLU CB C 94 29.900 29.506 0.394 1
1 901 . 18 1 1 A 94 94 GLU N N 94 122.900 118.379 4.521 1
1 902 . 18 1 1 A 95 95 CYS H H 95 9.110 7.851 1.259 1
1 903 . 18 1 1 A 95 95 CYS HA H 95 5.140 4.498 0.642 1
1 906 . 18 1 1 A 95 95 CYS C C 95 176.900 175.309 1.591 1
1 907 . 18 1 1 A 95 95 CYS CA C 95 58.900 59.564 -0.664 1
1 908 . 18 1 1 A 95 95 CYS CB C 95 33.600 28.007 5.593 1
1 909 . 18 1 1 A 95 95 CYS N N 95 119.200 115.860 3.340 1
1 910 . 18 1 1 A 96 96 GLY H H 96 8.000 9.096 -1.096 1
1 911 . 18 1 1 A 96 96 GLY HA2 H 96 3.850 3.619 0.231 1
1 912 . 18 1 1 A 96 96 GLY C C 96 174.100 173.530 0.570 1
1 913 . 18 1 1 A 96 96 GLY CA C 96 46.500 45.584 0.916 1
1 914 . 18 1 1 A 96 96 GLY N N 96 115.300 109.779 5.521 1
1 915 . 18 1 1 A 97 97 HIS H H 97 9.310 7.295 2.015 1
1 916 . 18 1 1 A 97 97 HIS HA H 97 4.500 5.009 -0.509 1
1 919 . 18 1 1 A 97 97 HIS C C 97 173.200 173.144 0.056 1
1 920 . 18 1 1 A 97 97 HIS CA C 97 58.600 54.834 3.766 1
1 921 . 18 1 1 A 97 97 HIS CB C 97 33.000 33.461 -0.461 1
1 922 . 18 1 1 A 97 97 HIS N N 97 125.300 117.114 8.186 1
1 923 . 18 1 1 A 98 98 ILE H H 98 6.890 9.000 -2.110 1
1 924 . 18 1 1 A 98 98 ILE HA H 98 4.760 4.877 -0.117 1
1 934 . 18 1 1 A 98 98 ILE C C 98 175.000 174.079 0.921 1
1 935 . 18 1 1 A 98 98 ILE CA C 98 60.000 60.281 -0.281 1
1 936 . 18 1 1 A 98 98 ILE CB C 98 40.200 40.379 -0.179 1
1 940 . 18 1 1 A 98 98 ILE N N 98 123.600 123.288 0.312 1
1 941 . 18 1 1 A 99 99 MET H H 99 9.050 9.885 -0.835 1
1 942 . 18 1 1 A 99 99 MET HA H 99 4.630 5.131 -0.501 1
1 950 . 18 1 1 A 99 99 MET C C 99 173.100 174.180 -1.080 1
1 951 . 18 1 1 A 99 99 MET CA C 99 54.400 54.118 0.282 1
1 952 . 18 1 1 A 99 99 MET CB C 99 37.900 35.637 2.263 1
1 955 . 18 1 1 A 99 99 MET N N 99 126.400 129.316 -2.916 1
1 956 . 18 1 1 A 100 100 ARG H H 100 7.930 8.793 -0.863 1
1 957 . 18 1 1 A 100 100 ARG HA H 100 5.370 4.906 0.464 1
1 963 . 18 1 1 A 100 100 ARG C C 100 175.200 174.397 0.803 1
1 964 . 18 1 1 A 100 100 ARG CA C 100 54.700 54.912 -0.212 1
1 965 . 18 1 1 A 100 100 ARG CB C 100 33.600 31.476 2.124 1
1 968 . 18 1 1 A 100 100 ARG N N 100 120.200 127.935 -7.735 1
1 969 . 18 1 1 A 101 101 TYR H H 101 9.110 8.954 0.156 1
1 970 . 18 1 1 A 101 101 TYR HA H 101 5.130 5.224 -0.094 1
1 977 . 18 1 1 A 101 101 TYR CA C 101 55.300 55.154 0.146 1
1 978 . 18 1 1 A 101 101 TYR CB C 101 40.900 39.904 0.996 1
1 983 . 18 1 1 A 101 101 TYR N N 101 121.100 127.943 -6.843 1
1 1 . 19 1 1 A 18 18 ILE HA H 18 3.610 4.062 -0.452 1
1 11 . 19 1 1 A 18 18 ILE C C 18 176.800 177.629 -0.829 1
1 12 . 19 1 1 A 18 18 ILE CA C 18 66.700 62.969 3.731 1
1 13 . 19 1 1 A 18 18 ILE CB C 18 38.600 37.882 0.718 1
1 17 . 19 1 1 A 19 19 ASP H H 19 8.050 7.928 0.122 1
1 18 . 19 1 1 A 19 19 ASP HA H 19 4.580 4.588 -0.008 1
1 21 . 19 1 1 A 19 19 ASP CA C 19 58.200 57.651 0.549 1
1 22 . 19 1 1 A 19 19 ASP CB C 19 42.500 40.340 2.160 1
1 23 . 19 1 1 A 19 19 ASP N N 19 119.100 121.385 -2.285 1
1 24 . 19 1 1 A 20 20 ILE H H 20 8.240 7.620 0.620 1
1 25 . 19 1 1 A 20 20 ILE HA H 20 3.730 3.728 0.002 1
1 35 . 19 1 1 A 20 20 ILE CA C 20 65.000 65.550 -0.550 1
1 36 . 19 1 1 A 20 20 ILE CB C 20 38.300 37.776 0.524 1
1 40 . 19 1 1 A 20 20 ILE N N 20 120.400 120.344 0.056 1
1 41 . 19 1 1 A 21 21 LEU H H 21 7.870 7.975 -0.105 1
1 42 . 19 1 1 A 21 21 LEU HA H 21 4.440 4.002 0.438 1
1 49 . 19 1 1 A 21 21 LEU C C 21 178.700 179.372 -0.672 1
1 50 . 19 1 1 A 21 21 LEU CA C 21 59.800 58.152 1.648 1
1 51 . 19 1 1 A 21 21 LEU CB C 21 42.200 41.972 0.228 1
1 54 . 19 1 1 A 21 21 LEU N N 21 121.100 118.658 2.442 1
1 55 . 19 1 1 A 22 22 PHE H H 22 7.820 8.874 -1.054 1
1 56 . 19 1 1 A 22 22 PHE HA H 22 3.480 4.362 -0.882 1
1 63 . 19 1 1 A 22 22 PHE C C 22 177.300 177.755 -0.455 1
1 64 . 19 1 1 A 22 22 PHE CA C 22 63.100 62.133 0.967 1
1 65 . 19 1 1 A 22 22 PHE CB C 22 36.400 39.260 -2.860 1
1 70 . 19 1 1 A 22 22 PHE N N 22 116.900 119.863 -2.963 1
1 71 . 19 1 1 A 23 23 SER H H 23 7.940 8.421 -0.481 1
1 72 . 19 1 1 A 23 23 SER HA H 23 4.520 4.283 0.237 1
1 75 . 19 1 1 A 23 23 SER C C 23 177.300 177.846 -0.546 1
1 76 . 19 1 1 A 23 23 SER CA C 23 63.500 61.771 1.729 1
1 77 . 19 1 1 A 23 23 SER CB C 23 62.900 62.402 0.498 1
1 78 . 19 1 1 A 23 23 SER N N 23 114.400 114.278 0.122 1
1 79 . 19 1 1 A 24 24 LEU H H 24 8.050 7.804 0.246 1
1 80 . 19 1 1 A 24 24 LEU HA H 24 3.820 4.032 -0.212 1
1 89 . 19 1 1 A 24 24 LEU C C 24 178.200 178.898 -0.698 1
1 90 . 19 1 1 A 24 24 LEU CA C 24 58.100 57.464 0.636 1
1 91 . 19 1 1 A 24 24 LEU CB C 24 40.700 41.477 -0.777 1
1 95 . 19 1 1 A 24 24 LEU N N 24 124.700 122.512 2.188 1
1 96 . 19 1 1 A 25 25 ALA H H 25 7.590 8.705 -1.115 1
1 97 . 19 1 1 A 25 25 ALA HA H 25 3.820 4.154 -0.334 1
1 101 . 19 1 1 A 25 25 ALA C C 25 177.700 179.524 -1.824 1
1 102 . 19 1 1 A 25 25 ALA CA C 25 55.800 55.751 0.049 1
1 103 . 19 1 1 A 25 25 ALA CB C 25 18.400 18.291 0.109 1
1 104 . 19 1 1 A 25 25 ALA N N 25 122.400 122.217 0.183 1
1 105 . 19 1 1 A 26 26 GLU H H 26 7.690 8.054 -0.364 1
1 106 . 19 1 1 A 26 26 GLU HA H 26 4.270 3.811 0.459 1
1 111 . 19 1 1 A 26 26 GLU C C 26 178.600 178.592 0.008 1
1 112 . 19 1 1 A 26 26 GLU CA C 26 60.000 59.157 0.843 1
1 113 . 19 1 1 A 26 26 GLU CB C 26 31.100 29.087 2.013 1
1 115 . 19 1 1 A 26 26 GLU N N 26 116.000 119.139 -3.139 1
1 116 . 19 1 1 A 27 27 ARG H H 27 7.670 7.780 -0.110 1
1 117 . 19 1 1 A 27 27 ARG HA H 27 4.190 4.180 0.010 1
1 122 . 19 1 1 A 27 27 ARG C C 27 178.400 178.311 0.089 1
1 123 . 19 1 1 A 27 27 ARG CA C 27 58.800 58.679 0.121 1
1 124 . 19 1 1 A 27 27 ARG CB C 27 30.700 29.876 0.824 1
1 127 . 19 1 1 A 27 27 ARG N N 27 116.700 120.452 -3.752 1
1 128 . 19 1 1 A 28 28 VAL H H 28 8.230 8.062 0.168 1
1 129 . 19 1 1 A 28 28 VAL HA H 28 4.530 3.781 0.749 1
1 137 . 19 1 1 A 28 28 VAL C C 28 176.500 177.918 -1.418 1
1 138 . 19 1 1 A 28 28 VAL CA C 28 62.600 65.024 -2.424 1
1 139 . 19 1 1 A 28 28 VAL CB C 28 33.000 31.378 1.622 1
1 142 . 19 1 1 A 28 28 VAL N N 28 112.600 118.559 -5.959 1
1 143 . 19 1 1 A 29 29 PHE H H 29 8.020 8.266 -0.246 1
1 144 . 19 1 1 A 29 29 PHE HA H 29 3.960 4.406 -0.446 1
1 151 . 19 1 1 A 29 29 PHE CA C 29 64.500 62.721 1.779 1
1 152 . 19 1 1 A 29 29 PHE CB C 29 37.300 36.980 0.320 1
1 157 . 19 1 1 A 29 29 PHE N N 29 124.600 122.477 2.123 1
1 158 . 19 1 1 A 30 30 PRO HA H 30 4.150 4.234 -0.084 1
1 163 . 19 1 1 A 30 30 PRO C C 30 176.600 178.604 -2.004 1
1 164 . 19 1 1 A 30 30 PRO CA C 30 65.600 65.837 -0.237 1
1 165 . 19 1 1 A 30 30 PRO CB C 30 31.400 30.828 0.572 1
1 168 . 19 1 1 A 31 31 TYR H H 31 7.540 8.731 -1.191 1
1 169 . 19 1 1 A 31 31 TYR HA H 31 4.600 4.296 0.304 1
1 176 . 19 1 1 A 31 31 TYR C C 31 176.500 176.106 0.394 1
1 177 . 19 1 1 A 31 31 TYR CA C 31 58.300 60.734 -2.434 1
1 178 . 19 1 1 A 31 31 TYR CB C 31 39.400 38.175 1.225 1
1 183 . 19 1 1 A 31 31 TYR N N 31 113.500 117.750 -4.250 1
1 184 . 19 1 1 A 32 32 SER H H 32 8.210 8.349 -0.139 1
1 185 . 19 1 1 A 32 32 SER HA H 32 4.770 4.835 -0.065 1
1 188 . 19 1 1 A 32 32 SER CA C 32 55.700 55.769 -0.069 1
1 189 . 19 1 1 A 32 32 SER CB C 32 63.200 65.971 -2.771 1
1 190 . 19 1 1 A 32 32 SER N N 32 111.700 113.249 -1.549 1
1 191 . 19 1 1 A 33 33 PRO HA H 33 4.250 4.067 0.183 1
1 195 . 19 1 1 A 33 33 PRO C C 33 179.000 177.827 1.173 1
1 196 . 19 1 1 A 33 33 PRO CA C 33 65.400 65.298 0.102 1
1 197 . 19 1 1 A 33 33 PRO CB C 33 33.000 31.652 1.348 1
1 200 . 19 1 1 A 34 34 GLU H H 34 8.390 7.943 0.447 1
1 201 . 19 1 1 A 34 34 GLU HA H 34 4.130 4.111 0.019 1
1 204 . 19 1 1 A 34 34 GLU C C 34 178.700 179.183 -0.483 1
1 205 . 19 1 1 A 34 34 GLU CA C 34 59.900 59.550 0.350 1
1 206 . 19 1 1 A 34 34 GLU CB C 34 30.000 29.440 0.560 1
1 208 . 19 1 1 A 34 34 GLU N N 34 118.500 118.259 0.241 1
1 209 . 19 1 1 A 35 35 LEU H H 35 7.970 8.309 -0.339 1
1 210 . 19 1 1 A 35 35 LEU HA H 35 4.070 4.014 0.056 1
1 217 . 19 1 1 A 35 35 LEU CA C 35 57.400 58.035 -0.635 1
1 218 . 19 1 1 A 35 35 LEU CB C 35 42.200 41.709 0.491 1
1 221 . 19 1 1 A 35 35 LEU N N 35 122.000 120.682 1.318 1
1 222 . 19 1 1 A 36 36 ALA H H 36 7.860 8.313 -0.453 1
1 223 . 19 1 1 A 36 36 ALA HA H 36 4.040 4.247 -0.207 1
1 227 . 19 1 1 A 36 36 ALA C C 36 178.600 179.128 -0.528 1
1 228 . 19 1 1 A 36 36 ALA CA C 36 56.400 55.385 1.015 1
1 229 . 19 1 1 A 36 36 ALA CB C 36 19.500 18.432 1.068 1
1 230 . 19 1 1 A 36 36 ALA N N 36 121.000 121.829 -0.829 1
1 231 . 19 1 1 A 37 37 LYS H H 37 7.910 8.110 -0.200 1
1 232 . 19 1 1 A 37 37 LYS HA H 37 4.300 4.100 0.200 1
1 237 . 19 1 1 A 37 37 LYS C C 37 177.800 179.031 -1.231 1
1 238 . 19 1 1 A 37 37 LYS CA C 37 59.700 59.861 -0.161 1
1 239 . 19 1 1 A 37 37 LYS CB C 37 32.400 32.692 -0.292 1
1 243 . 19 1 1 A 37 37 LYS N N 37 117.700 118.234 -0.534 1
1 244 . 19 1 1 A 38 38 ARG H H 38 7.640 7.417 0.223 1
1 245 . 19 1 1 A 38 38 ARG HA H 38 4.090 3.981 0.109 1
1 251 . 19 1 1 A 38 38 ARG C C 38 179.600 178.765 0.835 1
1 252 . 19 1 1 A 38 38 ARG CA C 38 59.300 59.482 -0.182 1
1 253 . 19 1 1 A 38 38 ARG CB C 38 30.000 29.655 0.345 1
1 256 . 19 1 1 A 38 38 ARG N N 38 118.200 118.620 -0.420 1
1 257 . 19 1 1 A 39 39 TYR H H 39 7.860 7.805 0.055 1
1 258 . 19 1 1 A 39 39 TYR HA H 39 4.290 4.409 -0.119 1
1 264 . 19 1 1 A 39 39 TYR C C 39 177.800 178.536 -0.736 1
1 265 . 19 1 1 A 39 39 TYR CA C 39 62.500 60.278 2.222 1
1 266 . 19 1 1 A 39 39 TYR CB C 39 38.300 37.887 0.413 1
1 271 . 19 1 1 A 39 39 TYR N N 39 119.200 119.768 -0.568 1
1 272 . 19 1 1 A 40 40 VAL H H 40 7.960 8.553 -0.593 1
1 273 . 19 1 1 A 40 40 VAL HA H 40 2.750 3.530 -0.780 1
1 281 . 19 1 1 A 40 40 VAL C C 40 177.800 177.782 0.018 1
1 282 . 19 1 1 A 40 40 VAL CA C 40 67.300 66.499 0.801 1
1 283 . 19 1 1 A 40 40 VAL CB C 40 31.400 31.446 -0.046 1
1 286 . 19 1 1 A 40 40 VAL N N 40 120.800 119.674 1.126 1
1 287 . 19 1 1 A 41 41 GLU H H 41 8.660 8.013 0.647 1
1 288 . 19 1 1 A 41 41 GLU HA H 41 3.680 3.961 -0.281 1
1 291 . 19 1 1 A 41 41 GLU C C 41 179.900 179.049 0.851 1
1 292 . 19 1 1 A 41 41 GLU CA C 41 60.500 59.404 1.096 1
1 293 . 19 1 1 A 41 41 GLU CB C 41 29.400 29.236 0.164 1
1 295 . 19 1 1 A 41 41 GLU N N 41 117.000 119.588 -2.588 1
1 296 . 19 1 1 A 42 42 LEU H H 42 7.960 7.874 0.086 1
1 297 . 19 1 1 A 42 42 LEU HA H 42 4.130 4.089 0.041 1
1 306 . 19 1 1 A 42 42 LEU C C 42 178.300 178.302 -0.002 1
1 307 . 19 1 1 A 42 42 LEU CA C 42 58.000 57.777 0.223 1
1 308 . 19 1 1 A 42 42 LEU CB C 42 42.300 41.360 0.940 1
1 312 . 19 1 1 A 42 42 LEU N N 42 120.300 121.957 -1.657 1
1 313 . 19 1 1 A 43 43 ALA H H 43 8.040 7.717 0.323 1
1 314 . 19 1 1 A 43 43 ALA HA H 43 3.740 3.904 -0.164 1
1 318 . 19 1 1 A 43 43 ALA C C 43 179.400 179.862 -0.462 1
1 319 . 19 1 1 A 43 43 ALA CA C 43 55.700 55.203 0.497 1
1 320 . 19 1 1 A 43 43 ALA CB C 43 18.500 18.452 0.048 1
1 321 . 19 1 1 A 43 43 ALA N N 43 123.600 120.953 2.647 1
1 322 . 19 1 1 A 44 44 LEU H H 44 8.340 8.268 0.072 1
1 323 . 19 1 1 A 44 44 LEU HA H 44 4.070 3.677 0.393 1
1 333 . 19 1 1 A 44 44 LEU C C 44 180.000 179.352 0.648 1
1 334 . 19 1 1 A 44 44 LEU CA C 44 57.500 57.544 -0.044 1
1 335 . 19 1 1 A 44 44 LEU CB C 44 40.800 41.602 -0.802 1
1 339 . 19 1 1 A 44 44 LEU N N 44 116.800 118.254 -1.454 1
1 340 . 19 1 1 A 45 45 LEU H H 45 7.860 8.188 -0.328 1
1 341 . 19 1 1 A 45 45 LEU HA H 45 4.170 3.936 0.234 1
1 351 . 19 1 1 A 45 45 LEU C C 45 179.600 178.757 0.843 1
1 352 . 19 1 1 A 45 45 LEU CA C 45 58.400 57.991 0.409 1
1 353 . 19 1 1 A 45 45 LEU CB C 45 42.200 41.795 0.405 1
1 357 . 19 1 1 A 45 45 LEU N N 45 122.600 118.742 3.858 1
1 358 . 19 1 1 A 46 46 VAL H H 46 8.070 8.673 -0.603 1
1 359 . 19 1 1 A 46 46 VAL HA H 46 3.610 3.456 0.154 1
1 367 . 19 1 1 A 46 46 VAL CA C 46 66.800 66.623 0.177 1
1 368 . 19 1 1 A 46 46 VAL CB C 46 31.600 31.162 0.438 1
1 370 . 19 1 1 A 46 46 VAL N N 46 120.100 119.025 1.075 1
1 371 . 19 1 1 A 47 47 GLN H H 47 8.360 8.258 0.102 1
1 372 . 19 1 1 A 47 47 GLN HA H 47 3.860 3.924 -0.064 1
1 378 . 19 1 1 A 47 47 GLN C C 47 178.000 177.953 0.047 1
1 379 . 19 1 1 A 47 47 GLN CA C 47 60.200 59.191 1.009 1
1 380 . 19 1 1 A 47 47 GLN CB C 47 27.800 28.266 -0.466 1
1 382 . 19 1 1 A 47 47 GLN N N 47 120.000 119.448 0.552 1
1 384 . 19 1 1 A 48 48 GLN H H 48 8.110 8.188 -0.078 1
1 385 . 19 1 1 A 48 48 GLN HA H 48 4.080 4.005 0.075 1
1 392 . 19 1 1 A 48 48 GLN C C 48 178.500 178.182 0.318 1
1 393 . 19 1 1 A 48 48 GLN CA C 48 58.900 58.755 0.145 1
1 394 . 19 1 1 A 48 48 GLN CB C 48 29.400 28.337 1.063 1
1 396 . 19 1 1 A 48 48 GLN N N 48 117.600 117.321 0.279 1
1 398 . 19 1 1 A 49 49 LYS H H 49 8.110 7.612 0.498 1
1 399 . 19 1 1 A 49 49 LYS HA H 49 4.190 4.015 0.175 1
1 405 . 19 1 1 A 49 49 LYS C C 49 177.800 179.240 -1.440 1
1 406 . 19 1 1 A 49 49 LYS CA C 49 58.600 59.244 -0.644 1
1 407 . 19 1 1 A 49 49 LYS CB C 49 33.000 32.128 0.872 1
1 411 . 19 1 1 A 49 49 LYS N N 49 118.100 119.513 -1.413 1
1 412 . 19 1 1 A 50 50 ALA H H 50 8.240 8.008 0.232 1
1 413 . 19 1 1 A 50 50 ALA HA H 50 4.460 4.302 0.158 1
1 417 . 19 1 1 A 50 50 ALA C C 50 176.700 177.203 -0.503 1
1 418 . 19 1 1 A 50 50 ALA CA C 50 52.700 52.587 0.113 1
1 419 . 19 1 1 A 50 50 ALA CB C 50 21.100 19.342 1.758 1
1 420 . 19 1 1 A 50 50 ALA N N 50 119.000 119.053 -0.053 1
1 421 . 19 1 1 A 51 51 LYS H H 51 8.000 7.995 0.005 1
1 422 . 19 1 1 A 51 51 LYS HA H 51 4.030 3.948 0.082 1
1 429 . 19 1 1 A 51 51 LYS C C 51 175.800 175.462 0.338 1
1 430 . 19 1 1 A 51 51 LYS CA C 51 57.500 57.158 0.342 1
1 431 . 19 1 1 A 51 51 LYS CB C 51 29.500 30.945 -1.445 1
1 435 . 19 1 1 A 51 51 LYS N N 51 114.500 117.521 -3.021 1
1 436 . 19 1 1 A 52 52 VAL H H 52 7.000 7.496 -0.496 1
1 437 . 19 1 1 A 52 52 VAL HA H 52 4.570 4.788 -0.218 1
1 445 . 19 1 1 A 52 52 VAL C C 52 175.000 174.485 0.515 1
1 446 . 19 1 1 A 52 52 VAL CA C 52 59.600 60.010 -0.410 1
1 447 . 19 1 1 A 52 52 VAL CB C 52 34.900 34.579 0.321 1
1 450 . 19 1 1 A 52 52 VAL N N 52 111.600 114.755 -3.155 1
1 451 . 19 1 1 A 53 53 LYS H H 53 8.150 8.699 -0.549 1
1 452 . 19 1 1 A 53 53 LYS HA H 53 4.510 4.610 -0.100 1
1 454 . 19 1 1 A 53 53 LYS C C 53 176.800 175.509 1.291 1
1 455 . 19 1 1 A 53 53 LYS CA C 53 55.700 56.300 -0.600 1
1 456 . 19 1 1 A 53 53 LYS CB C 53 34.000 33.339 0.661 1
1 457 . 19 1 1 A 53 53 LYS N N 53 120.800 124.757 -3.957 1
1 458 . 19 1 1 A 54 54 ILE H H 54 8.370 8.642 -0.272 1
1 459 . 19 1 1 A 54 54 ILE HA H 54 4.530 4.737 -0.207 1
1 469 . 19 1 1 A 54 54 ILE CA C 54 58.700 57.912 0.788 1
1 470 . 19 1 1 A 54 54 ILE CB C 54 38.400 40.101 -1.701 1
1 474 . 19 1 1 A 54 54 ILE N N 54 122.500 123.846 -1.346 1
1 475 . 19 1 1 A 57 57 LYS HA H 57 3.780 3.801 -0.021 1
1 484 . 19 1 1 A 57 57 LYS C C 57 176.300 177.779 -1.479 1
1 485 . 19 1 1 A 57 57 LYS CA C 57 59.000 58.718 0.282 1
1 486 . 19 1 1 A 57 57 LYS CB C 57 32.300 31.832 0.468 1
1 490 . 19 1 1 A 58 58 TRP H H 58 7.250 7.329 -0.079 1
1 491 . 19 1 1 A 58 58 TRP HA H 58 4.850 4.512 0.338 1
1 500 . 19 1 1 A 58 58 TRP C C 58 176.800 178.802 -2.002 1
1 501 . 19 1 1 A 58 58 TRP CA C 58 55.400 58.679 -3.279 1
1 502 . 19 1 1 A 58 58 TRP CB C 58 31.300 30.768 0.532 1
1 508 . 19 1 1 A 58 58 TRP N N 58 116.300 118.317 -2.017 1
1 510 . 19 1 1 A 59 59 LYS H H 59 7.310 8.235 -0.925 1
1 511 . 19 1 1 A 59 59 LYS HA H 59 3.960 4.036 -0.076 1
1 517 . 19 1 1 A 59 59 LYS CA C 59 60.600 60.044 0.556 1
1 518 . 19 1 1 A 59 59 LYS CB C 59 33.500 32.376 1.124 1
1 522 . 19 1 1 A 59 59 LYS N N 59 118.600 121.767 -3.167 1
1 523 . 19 1 1 A 60 60 ARG HA H 60 4.540 4.419 0.121 1
1 528 . 19 1 1 A 60 60 ARG C C 60 177.200 177.510 -0.310 1
1 529 . 19 1 1 A 60 60 ARG CA C 60 55.400 56.346 -0.946 1
1 530 . 19 1 1 A 60 60 ARG CB C 60 30.400 30.534 -0.134 1
1 533 . 19 1 1 A 61 61 ARG H H 61 7.620 7.674 -0.054 1
1 534 . 19 1 1 A 61 61 ARG HA H 61 4.250 4.460 -0.210 1
1 537 . 19 1 1 A 61 61 ARG C C 61 172.300 174.747 -2.447 1
1 538 . 19 1 1 A 61 61 ARG CA C 61 54.400 55.410 -1.010 1
1 539 . 19 1 1 A 61 61 ARG CB C 61 27.900 30.210 -2.310 1
1 541 . 19 1 1 A 61 61 ARG N N 61 116.000 116.903 -0.903 1
1 542 . 19 1 1 A 62 62 TYR H H 62 6.980 7.726 -0.746 1
1 543 . 19 1 1 A 62 62 TYR HA H 62 5.860 5.680 0.180 1
1 550 . 19 1 1 A 62 62 TYR C C 62 173.100 172.493 0.607 1
1 551 . 19 1 1 A 62 62 TYR CA C 62 55.000 55.913 -0.913 1
1 552 . 19 1 1 A 62 62 TYR CB C 62 43.000 41.517 1.483 1
1 557 . 19 1 1 A 62 62 TYR N N 62 112.300 115.956 -3.656 1
1 558 . 19 1 1 A 63 63 CYS H H 63 9.220 8.603 0.617 1
1 559 . 19 1 1 A 63 63 CYS HA H 63 4.280 4.553 -0.273 1
1 562 . 19 1 1 A 63 63 CYS C C 63 178.000 175.836 2.164 1
1 563 . 19 1 1 A 63 63 CYS CA C 63 59.900 58.044 1.856 1
1 564 . 19 1 1 A 63 63 CYS CB C 63 32.300 29.049 3.251 1
1 565 . 19 1 1 A 63 63 CYS N N 63 124.100 120.842 3.258 1
1 566 . 19 1 1 A 64 64 LYS H H 64 7.820 8.901 -1.081 1
1 567 . 19 1 1 A 64 64 LYS HA H 64 4.240 3.913 0.327 1
1 571 . 19 1 1 A 64 64 LYS C C 64 175.400 177.802 -2.402 1
1 572 . 19 1 1 A 64 64 LYS CA C 64 59.500 59.865 -0.365 1
1 573 . 19 1 1 A 64 64 LYS CB C 64 33.600 32.300 1.300 1
1 577 . 19 1 1 A 64 64 LYS N N 64 129.300 127.170 2.130 1
1 578 . 19 1 1 A 65 65 LYS H H 65 9.270 7.644 1.626 1
1 579 . 19 1 1 A 65 65 LYS HA H 65 4.250 4.107 0.143 1
1 586 . 19 1 1 A 65 65 LYS C C 65 176.300 178.899 -2.599 1
1 587 . 19 1 1 A 65 65 LYS CA C 65 58.500 57.720 0.780 1
1 588 . 19 1 1 A 65 65 LYS CB C 65 33.700 33.277 0.423 1
1 592 . 19 1 1 A 65 65 LYS N N 65 122.500 118.832 3.668 1
1 593 . 19 1 1 A 66 66 CYS H H 66 9.190 7.740 1.450 1
1 594 . 19 1 1 A 66 66 CYS HA H 66 4.560 4.190 0.370 1
1 597 . 19 1 1 A 66 66 CYS C C 66 176.200 174.942 1.258 1
1 598 . 19 1 1 A 66 66 CYS CA C 66 59.700 63.485 -3.785 1
1 599 . 19 1 1 A 66 66 CYS CB C 66 32.200 27.882 4.318 1
1 600 . 19 1 1 A 66 66 CYS N N 66 121.200 117.887 3.313 1
1 601 . 19 1 1 A 67 67 HIS H H 67 7.700 8.099 -0.399 1
1 602 . 19 1 1 A 67 67 HIS HA H 67 4.850 4.400 0.450 1
1 604 . 19 1 1 A 67 67 HIS C C 67 171.000 174.042 -3.042 1
1 605 . 19 1 1 A 67 67 HIS CA C 67 56.200 57.251 -1.051 1
1 606 . 19 1 1 A 67 67 HIS CB C 67 26.800 26.893 -0.093 1
1 607 . 19 1 1 A 67 67 HIS N N 67 114.200 116.117 -1.917 1
1 608 . 19 1 1 A 68 68 ALA H H 68 8.720 7.807 0.913 1
1 609 . 19 1 1 A 68 68 ALA HA H 68 4.230 5.225 -0.995 1
1 613 . 19 1 1 A 68 68 ALA C C 68 177.800 176.393 1.407 1
1 614 . 19 1 1 A 68 68 ALA CA C 68 53.800 50.597 3.203 1
1 615 . 19 1 1 A 68 68 ALA CB C 68 19.800 22.890 -3.090 1
1 616 . 19 1 1 A 68 68 ALA N N 68 119.600 119.713 -0.113 1
1 617 . 19 1 1 A 69 69 PHE H H 69 8.500 8.847 -0.347 1
1 618 . 19 1 1 A 69 69 PHE HA H 69 4.590 5.052 -0.462 1
1 626 . 19 1 1 A 69 69 PHE C C 69 174.200 174.121 0.079 1
1 627 . 19 1 1 A 69 69 PHE CA C 69 58.300 59.455 -1.155 1
1 628 . 19 1 1 A 69 69 PHE CB C 69 40.900 38.900 2.000 1
1 634 . 19 1 1 A 69 69 PHE N N 69 122.200 121.156 1.044 1
1 635 . 19 1 1 A 70 70 LEU H H 70 7.550 9.256 -1.706 1
1 636 . 19 1 1 A 70 70 LEU HA H 70 4.540 4.978 -0.438 1
1 645 . 19 1 1 A 70 70 LEU C C 70 176.000 175.475 0.525 1
1 646 . 19 1 1 A 70 70 LEU CA C 70 53.700 54.530 -0.830 1
1 647 . 19 1 1 A 70 70 LEU CB C 70 43.600 42.590 1.010 1
1 651 . 19 1 1 A 70 70 LEU N N 70 124.700 129.433 -4.733 1
1 652 . 19 1 1 A 71 71 VAL H H 71 9.700 8.519 1.181 1
1 653 . 19 1 1 A 71 71 VAL HA H 71 4.140 4.618 -0.478 1
1 661 . 19 1 1 A 71 71 VAL CA C 71 59.600 59.299 0.301 1
1 662 . 19 1 1 A 71 71 VAL CB C 71 34.000 34.977 -0.977 1
1 665 . 19 1 1 A 71 71 VAL N N 71 125.800 127.098 -1.298 1
1 666 . 19 1 1 A 72 72 PRO HA H 72 4.170 4.348 -0.178 1
1 673 . 19 1 1 A 72 72 PRO C C 72 176.200 177.430 -1.230 1
1 674 . 19 1 1 A 72 72 PRO CA C 72 64.100 63.667 0.433 1
1 675 . 19 1 1 A 72 72 PRO CB C 72 32.200 31.651 0.549 1
1 678 . 19 1 1 A 73 73 GLY H H 73 8.500 9.168 -0.668 1
1 679 . 19 1 1 A 73 73 GLY HA2 H 73 3.860 3.883 -0.023 1
1 680 . 19 1 1 A 73 73 GLY HA3 H 73 4.550 3.883 0.667 1
1 681 . 19 1 1 A 73 73 GLY CA C 73 45.700 45.487 0.213 1
1 682 . 19 1 1 A 73 73 GLY N N 73 112.200 111.202 0.998 1
1 683 . 19 1 1 A 74 74 ILE H H 74 8.360 7.556 0.804 1
1 684 . 19 1 1 A 74 74 ILE HA H 74 4.580 4.232 0.348 1
1 694 . 19 1 1 A 74 74 ILE C C 74 175.700 177.592 -1.892 1
1 695 . 19 1 1 A 74 74 ILE CA C 74 62.700 63.060 -0.360 1
1 696 . 19 1 1 A 74 74 ILE CB C 74 38.400 39.035 -0.635 1
1 700 . 19 1 1 A 74 74 ILE N N 74 120.200 119.973 0.227 1
1 701 . 19 1 1 A 75 75 ASN H H 75 8.470 7.842 0.628 1
1 702 . 19 1 1 A 75 75 ASN HA H 75 4.970 4.776 0.194 1
1 706 . 19 1 1 A 75 75 ASN C C 75 172.900 174.568 -1.668 1
1 707 . 19 1 1 A 75 75 ASN CA C 75 52.600 52.624 -0.024 1
1 708 . 19 1 1 A 75 75 ASN CB C 75 38.600 38.513 0.087 1
1 709 . 19 1 1 A 75 75 ASN N N 75 116.400 115.403 0.997 1
1 711 . 19 1 1 A 76 76 ALA H H 76 7.250 7.706 -0.456 1
1 712 . 19 1 1 A 76 76 ALA HA H 76 5.510 5.185 0.325 1
1 716 . 19 1 1 A 76 76 ALA C C 76 176.200 174.938 1.262 1
1 717 . 19 1 1 A 76 76 ALA CA C 76 50.400 51.520 -1.120 1
1 718 . 19 1 1 A 76 76 ALA CB C 76 23.200 23.086 0.114 1
1 719 . 19 1 1 A 76 76 ALA N N 76 117.400 119.823 -2.423 1
1 720 . 19 1 1 A 77 77 ARG H H 77 8.850 9.160 -0.310 1
1 721 . 19 1 1 A 77 77 ARG HA H 77 4.950 5.168 -0.218 1
1 728 . 19 1 1 A 77 77 ARG CA C 77 54.800 54.452 0.348 1
1 729 . 19 1 1 A 77 77 ARG CB C 77 33.700 33.889 -0.189 1
1 732 . 19 1 1 A 77 77 ARG N N 77 123.000 122.006 0.994 1
1 733 . 19 1 1 A 78 78 VAL H H 78 8.920 8.959 -0.039 1
1 734 . 19 1 1 A 78 78 VAL HA H 78 4.730 5.390 -0.660 1
1 742 . 19 1 1 A 78 78 VAL CA C 78 61.400 59.590 1.810 1
1 743 . 19 1 1 A 78 78 VAL CB C 78 34.400 34.767 -0.367 1
1 746 . 19 1 1 A 78 78 VAL N N 78 127.400 125.687 1.713 1
1 747 . 19 1 1 A 79 79 ARG H H 79 9.000 8.834 0.166 1
1 748 . 19 1 1 A 79 79 ARG HA H 79 4.750 5.057 -0.307 1
1 754 . 19 1 1 A 79 79 ARG CA C 79 54.400 54.423 -0.023 1
1 755 . 19 1 1 A 79 79 ARG CB C 79 34.300 33.534 0.766 1
1 758 . 19 1 1 A 79 79 ARG N N 79 126.400 129.705 -3.305 1
1 759 . 19 1 1 A 80 80 LEU H H 80 8.480 9.195 -0.715 1
1 760 . 19 1 1 A 80 80 LEU HA H 80 4.690 5.041 -0.351 1
1 770 . 19 1 1 A 80 80 LEU CA C 80 54.600 53.678 0.922 1
1 771 . 19 1 1 A 80 80 LEU CB C 80 43.500 42.840 0.660 1
1 775 . 19 1 1 A 80 80 LEU N N 80 124.700 128.304 -3.604 1
1 776 . 19 1 1 A 81 81 ARG H H 81 8.800 9.080 -0.280 1
1 777 . 19 1 1 A 81 81 ARG HA H 81 4.540 4.913 -0.373 1
1 781 . 19 1 1 A 81 81 ARG CA C 81 54.600 54.716 -0.116 1
1 782 . 19 1 1 A 81 81 ARG CB C 81 31.600 33.223 -1.623 1
1 785 . 19 1 1 A 81 81 ARG N N 81 126.100 124.590 1.510 1
1 786 . 19 1 1 A 86 86 PRO HA H 86 4.700 4.835 -0.135 1
1 792 . 19 1 1 A 86 86 PRO C C 86 176.400 175.419 0.981 1
1 793 . 19 1 1 A 86 86 PRO CA C 86 64.000 62.820 1.180 1
1 794 . 19 1 1 A 86 86 PRO CB C 86 32.600 32.555 0.045 1
1 796 . 19 1 1 A 87 87 HIS H H 87 8.560 8.355 0.205 1
1 797 . 19 1 1 A 87 87 HIS HA H 87 5.140 5.135 0.005 1
1 800 . 19 1 1 A 87 87 HIS C C 87 172.600 173.068 -0.468 1
1 801 . 19 1 1 A 87 87 HIS CA C 87 56.000 56.118 -0.118 1
1 802 . 19 1 1 A 87 87 HIS CB C 87 32.400 33.448 -1.048 1
1 803 . 19 1 1 A 87 87 HIS N N 87 118.700 122.327 -3.627 1
1 804 . 19 1 1 A 88 88 ILE H H 88 9.250 8.641 0.609 1
1 805 . 19 1 1 A 88 88 ILE HA H 88 4.710 5.105 -0.395 1
1 815 . 19 1 1 A 88 88 ILE CA C 88 60.200 58.981 1.219 1
1 816 . 19 1 1 A 88 88 ILE CB C 88 40.600 41.868 -1.268 1
1 820 . 19 1 1 A 88 88 ILE N N 88 120.600 122.654 -2.054 1
1 821 . 19 1 1 A 89 89 VAL H H 89 9.050 8.835 0.215 1
1 822 . 19 1 1 A 89 89 VAL HA H 89 4.800 4.976 -0.176 1
1 830 . 19 1 1 A 89 89 VAL C C 89 175.000 174.683 0.317 1
1 831 . 19 1 1 A 89 89 VAL CA C 89 61.400 60.086 1.314 1
1 832 . 19 1 1 A 89 89 VAL CB C 89 34.400 34.199 0.201 1
1 835 . 19 1 1 A 90 90 VAL H H 90 9.340 9.422 -0.082 1
1 836 . 19 1 1 A 90 90 VAL HA H 90 5.160 5.261 -0.101 1
1 844 . 19 1 1 A 90 90 VAL C C 90 173.600 174.992 -1.392 1
1 845 . 19 1 1 A 90 90 VAL CA C 90 61.400 60.879 0.521 1
1 846 . 19 1 1 A 90 90 VAL CB C 90 34.100 34.645 -0.545 1
1 849 . 19 1 1 A 90 90 VAL N N 90 128.000 125.563 2.437 1
1 850 . 19 1 1 A 91 91 LYS H H 91 9.030 8.915 0.115 1
1 851 . 19 1 1 A 91 91 LYS HA H 91 5.160 5.315 -0.155 1
1 858 . 19 1 1 A 91 91 LYS C C 91 175.300 175.099 0.201 1
1 859 . 19 1 1 A 91 91 LYS CA C 91 54.100 54.455 -0.355 1
1 860 . 19 1 1 A 91 91 LYS CB C 91 36.600 36.097 0.503 1
1 864 . 19 1 1 A 91 91 LYS N N 91 128.100 124.346 3.754 1
1 865 . 19 1 1 A 92 92 CYS H H 92 9.050 8.488 0.562 1
1 866 . 19 1 1 A 92 92 CYS HA H 92 4.950 5.325 -0.375 1
1 869 . 19 1 1 A 92 92 CYS C C 92 177.300 175.337 1.963 1
1 870 . 19 1 1 A 92 92 CYS CA C 92 59.600 57.159 2.441 1
1 871 . 19 1 1 A 92 92 CYS CB C 92 32.600 29.615 2.985 1
1 872 . 19 1 1 A 92 92 CYS N N 92 129.900 120.260 9.640 1
1 873 . 19 1 1 A 93 93 LEU H H 93 8.910 9.346 -0.436 1
1 874 . 19 1 1 A 93 93 LEU HA H 93 4.480 3.945 0.535 1
1 884 . 19 1 1 A 93 93 LEU C C 93 178.100 178.388 -0.288 1
1 885 . 19 1 1 A 93 93 LEU CA C 93 55.300 58.202 -2.902 1
1 886 . 19 1 1 A 93 93 LEU CB C 93 40.500 41.626 -1.126 1
1 890 . 19 1 1 A 93 93 LEU N N 93 127.300 124.835 2.465 1
1 891 . 19 1 1 A 94 94 GLU H H 94 9.460 8.340 1.120 1
1 892 . 19 1 1 A 94 94 GLU HA H 94 4.420 4.000 0.420 1
1 897 . 19 1 1 A 94 94 GLU C C 94 178.400 179.269 -0.869 1
1 898 . 19 1 1 A 94 94 GLU CA C 94 59.700 59.417 0.283 1
1 899 . 19 1 1 A 94 94 GLU CB C 94 29.900 29.380 0.520 1
1 901 . 19 1 1 A 94 94 GLU N N 94 122.900 118.478 4.422 1
1 902 . 19 1 1 A 95 95 CYS H H 95 9.110 7.872 1.238 1
1 903 . 19 1 1 A 95 95 CYS HA H 95 5.140 4.525 0.615 1
1 906 . 19 1 1 A 95 95 CYS C C 95 176.900 175.741 1.159 1
1 907 . 19 1 1 A 95 95 CYS CA C 95 58.900 59.773 -0.873 1
1 908 . 19 1 1 A 95 95 CYS CB C 95 33.600 28.003 5.597 1
1 909 . 19 1 1 A 95 95 CYS N N 95 119.200 115.907 3.293 1
1 910 . 19 1 1 A 96 96 GLY H H 96 8.000 9.218 -1.218 1
1 911 . 19 1 1 A 96 96 GLY HA2 H 96 3.850 3.796 0.054 1
1 912 . 19 1 1 A 96 96 GLY C C 96 174.100 173.474 0.626 1
1 913 . 19 1 1 A 96 96 GLY CA C 96 46.500 45.727 0.773 1
1 914 . 19 1 1 A 96 96 GLY N N 96 115.300 109.618 5.682 1
1 915 . 19 1 1 A 97 97 HIS H H 97 9.310 7.549 1.761 1
1 916 . 19 1 1 A 97 97 HIS HA H 97 4.500 5.058 -0.558 1
1 919 . 19 1 1 A 97 97 HIS C C 97 173.200 173.102 0.098 1
1 920 . 19 1 1 A 97 97 HIS CA C 97 58.600 54.667 3.933 1
1 921 . 19 1 1 A 97 97 HIS CB C 97 33.000 33.802 -0.802 1
1 922 . 19 1 1 A 97 97 HIS N N 97 125.300 116.988 8.312 1
1 923 . 19 1 1 A 98 98 ILE H H 98 6.890 8.805 -1.915 1
1 924 . 19 1 1 A 98 98 ILE HA H 98 4.760 4.920 -0.160 1
1 934 . 19 1 1 A 98 98 ILE C C 98 175.000 173.471 1.529 1
1 935 . 19 1 1 A 98 98 ILE CA C 98 60.000 59.685 0.315 1
1 936 . 19 1 1 A 98 98 ILE CB C 98 40.200 40.803 -0.603 1
1 940 . 19 1 1 A 98 98 ILE N N 98 123.600 122.739 0.861 1
1 941 . 19 1 1 A 99 99 MET H H 99 9.050 10.018 -0.968 1
1 942 . 19 1 1 A 99 99 MET HA H 99 4.630 5.087 -0.457 1
1 950 . 19 1 1 A 99 99 MET C C 99 173.100 174.588 -1.488 1
1 951 . 19 1 1 A 99 99 MET CA C 99 54.400 54.167 0.233 1
1 952 . 19 1 1 A 99 99 MET CB C 99 37.900 35.684 2.216 1
1 955 . 19 1 1 A 99 99 MET N N 99 126.400 129.009 -2.609 1
1 956 . 19 1 1 A 100 100 ARG H H 100 7.930 8.821 -0.891 1
1 957 . 19 1 1 A 100 100 ARG HA H 100 5.370 4.689 0.681 1
1 963 . 19 1 1 A 100 100 ARG C C 100 175.200 175.011 0.189 1
1 964 . 19 1 1 A 100 100 ARG CA C 100 54.700 55.058 -0.358 1
1 965 . 19 1 1 A 100 100 ARG CB C 100 33.600 32.782 0.818 1
1 968 . 19 1 1 A 100 100 ARG N N 100 120.200 126.174 -5.974 1
1 969 . 19 1 1 A 101 101 TYR H H 101 9.110 8.647 0.463 1
1 970 . 19 1 1 A 101 101 TYR HA H 101 5.130 5.172 -0.042 1
1 977 . 19 1 1 A 101 101 TYR CA C 101 55.300 55.202 0.098 1
1 978 . 19 1 1 A 101 101 TYR CB C 101 40.900 39.756 1.144 1
1 983 . 19 1 1 A 101 101 TYR N N 101 121.100 122.586 -1.486 1
1 1 . 20 1 1 A 18 18 ILE HA H 18 3.610 3.725 -0.115 1
1 11 . 20 1 1 A 18 18 ILE C C 18 176.800 177.815 -1.015 1
1 12 . 20 1 1 A 18 18 ILE CA C 18 66.700 65.641 1.059 1
1 13 . 20 1 1 A 18 18 ILE CB C 18 38.600 37.505 1.095 1
1 17 . 20 1 1 A 19 19 ASP H H 19 8.050 7.867 0.183 1
1 18 . 20 1 1 A 19 19 ASP HA H 19 4.580 4.638 -0.058 1
1 21 . 20 1 1 A 19 19 ASP CA C 19 58.200 57.503 0.697 1
1 22 . 20 1 1 A 19 19 ASP CB C 19 42.500 40.961 1.539 1
1 23 . 20 1 1 A 19 19 ASP N N 19 119.100 120.266 -1.166 1
1 24 . 20 1 1 A 20 20 ILE H H 20 8.240 8.128 0.112 1
1 25 . 20 1 1 A 20 20 ILE HA H 20 3.730 3.714 0.016 1
1 35 . 20 1 1 A 20 20 ILE CA C 20 65.000 65.559 -0.559 1
1 36 . 20 1 1 A 20 20 ILE CB C 20 38.300 37.766 0.534 1
1 40 . 20 1 1 A 20 20 ILE N N 20 120.400 120.369 0.031 1
1 41 . 20 1 1 A 21 21 LEU H H 21 7.870 8.269 -0.399 1
1 42 . 20 1 1 A 21 21 LEU HA H 21 4.440 4.075 0.365 1
1 49 . 20 1 1 A 21 21 LEU C C 21 178.700 178.921 -0.221 1
1 50 . 20 1 1 A 21 21 LEU CA C 21 59.800 58.174 1.626 1
1 51 . 20 1 1 A 21 21 LEU CB C 21 42.200 41.705 0.495 1
1 54 . 20 1 1 A 21 21 LEU N N 21 121.100 121.344 -0.244 1
1 55 . 20 1 1 A 22 22 PHE H H 22 7.820 9.180 -1.360 1
1 56 . 20 1 1 A 22 22 PHE HA H 22 3.480 4.316 -0.836 1
1 63 . 20 1 1 A 22 22 PHE C C 22 177.300 177.887 -0.587 1
1 64 . 20 1 1 A 22 22 PHE CA C 22 63.100 62.084 1.016 1
1 65 . 20 1 1 A 22 22 PHE CB C 22 36.400 39.273 -2.873 1
1 70 . 20 1 1 A 22 22 PHE N N 22 116.900 119.830 -2.930 1
1 71 . 20 1 1 A 23 23 SER H H 23 7.940 8.266 -0.326 1
1 72 . 20 1 1 A 23 23 SER HA H 23 4.520 4.128 0.392 1
1 75 . 20 1 1 A 23 23 SER C C 23 177.300 176.128 1.172 1
1 76 . 20 1 1 A 23 23 SER CA C 23 63.500 61.824 1.676 1
1 77 . 20 1 1 A 23 23 SER CB C 23 62.900 63.051 -0.151 1
1 78 . 20 1 1 A 23 23 SER N N 23 114.400 115.316 -0.916 1
1 79 . 20 1 1 A 24 24 LEU H H 24 8.050 7.833 0.217 1
1 80 . 20 1 1 A 24 24 LEU HA H 24 3.820 4.022 -0.202 1
1 89 . 20 1 1 A 24 24 LEU C C 24 178.200 178.899 -0.699 1
1 90 . 20 1 1 A 24 24 LEU CA C 24 58.100 57.480 0.620 1
1 91 . 20 1 1 A 24 24 LEU CB C 24 40.700 41.464 -0.764 1
1 95 . 20 1 1 A 24 24 LEU N N 24 124.700 121.265 3.435 1
1 96 . 20 1 1 A 25 25 ALA H H 25 7.590 9.019 -1.429 1
1 97 . 20 1 1 A 25 25 ALA HA H 25 3.820 4.029 -0.209 1
1 101 . 20 1 1 A 25 25 ALA C C 25 177.700 179.468 -1.768 1
1 102 . 20 1 1 A 25 25 ALA CA C 25 55.800 55.721 0.079 1
1 103 . 20 1 1 A 25 25 ALA CB C 25 18.400 18.184 0.216 1
1 104 . 20 1 1 A 25 25 ALA N N 25 122.400 122.175 0.225 1
1 105 . 20 1 1 A 26 26 GLU H H 26 7.690 8.237 -0.547 1
1 106 . 20 1 1 A 26 26 GLU HA H 26 4.270 3.762 0.508 1
1 111 . 20 1 1 A 26 26 GLU C C 26 178.600 178.775 -0.175 1
1 112 . 20 1 1 A 26 26 GLU CA C 26 60.000 59.094 0.906 1
1 113 . 20 1 1 A 26 26 GLU CB C 26 31.100 28.976 2.124 1
1 115 . 20 1 1 A 26 26 GLU N N 26 116.000 118.885 -2.885 1
1 116 . 20 1 1 A 27 27 ARG H H 27 7.670 7.560 0.110 1
1 117 . 20 1 1 A 27 27 ARG HA H 27 4.190 4.017 0.173 1
1 122 . 20 1 1 A 27 27 ARG C C 27 178.400 179.428 -1.028 1
1 123 . 20 1 1 A 27 27 ARG CA C 27 58.800 59.423 -0.623 1
1 124 . 20 1 1 A 27 27 ARG CB C 27 30.700 30.405 0.295 1
1 127 . 20 1 1 A 27 27 ARG N N 27 116.700 119.197 -2.497 1
1 128 . 20 1 1 A 28 28 VAL H H 28 8.230 8.132 0.098 1
1 129 . 20 1 1 A 28 28 VAL HA H 28 4.530 4.045 0.485 1
1 137 . 20 1 1 A 28 28 VAL C C 28 176.500 178.103 -1.603 1
1 138 . 20 1 1 A 28 28 VAL CA C 28 62.600 65.170 -2.570 1
1 139 . 20 1 1 A 28 28 VAL CB C 28 33.000 31.489 1.511 1
1 142 . 20 1 1 A 28 28 VAL N N 28 112.600 119.731 -7.131 1
1 143 . 20 1 1 A 29 29 PHE H H 29 8.020 8.132 -0.112 1
1 144 . 20 1 1 A 29 29 PHE HA H 29 3.960 4.255 -0.295 1
1 151 . 20 1 1 A 29 29 PHE CA C 29 64.500 62.722 1.778 1
1 152 . 20 1 1 A 29 29 PHE CB C 29 37.300 36.902 0.398 1
1 157 . 20 1 1 A 29 29 PHE N N 29 124.600 122.408 2.192 1
1 158 . 20 1 1 A 30 30 PRO HA H 30 4.150 3.932 0.218 1
1 163 . 20 1 1 A 30 30 PRO C C 30 176.600 178.483 -1.883 1
1 164 . 20 1 1 A 30 30 PRO CA C 30 65.600 65.626 -0.026 1
1 165 . 20 1 1 A 30 30 PRO CB C 30 31.400 30.642 0.758 1
1 168 . 20 1 1 A 31 31 TYR H H 31 7.540 8.465 -0.925 1
1 169 . 20 1 1 A 31 31 TYR HA H 31 4.600 4.292 0.308 1
1 176 . 20 1 1 A 31 31 TYR C C 31 176.500 176.548 -0.048 1
1 177 . 20 1 1 A 31 31 TYR CA C 31 58.300 60.836 -2.536 1
1 178 . 20 1 1 A 31 31 TYR CB C 31 39.400 38.211 1.189 1
1 183 . 20 1 1 A 31 31 TYR N N 31 113.500 117.834 -4.334 1
1 184 . 20 1 1 A 32 32 SER H H 32 8.210 8.339 -0.129 1
1 185 . 20 1 1 A 32 32 SER HA H 32 4.770 4.790 -0.020 1
1 188 . 20 1 1 A 32 32 SER CA C 32 55.700 56.076 -0.376 1
1 189 . 20 1 1 A 32 32 SER CB C 32 63.200 65.762 -2.562 1
1 190 . 20 1 1 A 32 32 SER N N 32 111.700 112.611 -0.911 1
1 191 . 20 1 1 A 33 33 PRO HA H 33 4.250 4.461 -0.211 1
1 195 . 20 1 1 A 33 33 PRO C C 33 179.000 178.830 0.170 1
1 196 . 20 1 1 A 33 33 PRO CA C 33 65.400 65.249 0.151 1
1 197 . 20 1 1 A 33 33 PRO CB C 33 33.000 31.805 1.195 1
1 200 . 20 1 1 A 34 34 GLU H H 34 8.390 8.295 0.095 1
1 201 . 20 1 1 A 34 34 GLU HA H 34 4.130 4.149 -0.019 1
1 204 . 20 1 1 A 34 34 GLU C C 34 178.700 179.667 -0.967 1
1 205 . 20 1 1 A 34 34 GLU CA C 34 59.900 59.421 0.479 1
1 206 . 20 1 1 A 34 34 GLU CB C 34 30.000 29.295 0.705 1
1 208 . 20 1 1 A 34 34 GLU N N 34 118.500 118.008 0.492 1
1 209 . 20 1 1 A 35 35 LEU H H 35 7.970 8.414 -0.444 1
1 210 . 20 1 1 A 35 35 LEU HA H 35 4.070 4.038 0.032 1
1 217 . 20 1 1 A 35 35 LEU CA C 35 57.400 58.114 -0.714 1
1 218 . 20 1 1 A 35 35 LEU CB C 35 42.200 41.873 0.327 1
1 221 . 20 1 1 A 35 35 LEU N N 35 122.000 120.359 1.641 1
1 222 . 20 1 1 A 36 36 ALA H H 36 7.860 8.502 -0.642 1
1 223 . 20 1 1 A 36 36 ALA HA H 36 4.040 4.219 -0.179 1
1 227 . 20 1 1 A 36 36 ALA C C 36 178.600 179.100 -0.500 1
1 228 . 20 1 1 A 36 36 ALA CA C 36 56.400 55.384 1.016 1
1 229 . 20 1 1 A 36 36 ALA CB C 36 19.500 18.682 0.818 1
1 230 . 20 1 1 A 36 36 ALA N N 36 121.000 121.894 -0.894 1
1 231 . 20 1 1 A 37 37 LYS H H 37 7.910 8.715 -0.805 1
1 232 . 20 1 1 A 37 37 LYS HA H 37 4.300 3.994 0.306 1
1 237 . 20 1 1 A 37 37 LYS C C 37 177.800 179.038 -1.238 1
1 238 . 20 1 1 A 37 37 LYS CA C 37 59.700 59.857 -0.157 1
1 239 . 20 1 1 A 37 37 LYS CB C 37 32.400 32.750 -0.350 1
1 243 . 20 1 1 A 37 37 LYS N N 37 117.700 118.513 -0.813 1
1 244 . 20 1 1 A 38 38 ARG H H 38 7.640 7.371 0.269 1
1 245 . 20 1 1 A 38 38 ARG HA H 38 4.090 4.004 0.086 1
1 251 . 20 1 1 A 38 38 ARG C C 38 179.600 178.758 0.842 1
1 252 . 20 1 1 A 38 38 ARG CA C 38 59.300 59.533 -0.233 1
1 253 . 20 1 1 A 38 38 ARG CB C 38 30.000 29.740 0.260 1
1 256 . 20 1 1 A 38 38 ARG N N 38 118.200 118.660 -0.460 1
1 257 . 20 1 1 A 39 39 TYR H H 39 7.860 7.893 -0.033 1
1 258 . 20 1 1 A 39 39 TYR HA H 39 4.290 4.394 -0.104 1
1 264 . 20 1 1 A 39 39 TYR C C 39 177.800 178.503 -0.703 1
1 265 . 20 1 1 A 39 39 TYR CA C 39 62.500 60.413 2.087 1
1 266 . 20 1 1 A 39 39 TYR CB C 39 38.300 38.014 0.286 1
1 271 . 20 1 1 A 39 39 TYR N N 39 119.200 119.708 -0.508 1
1 272 . 20 1 1 A 40 40 VAL H H 40 7.960 8.516 -0.556 1
1 273 . 20 1 1 A 40 40 VAL HA H 40 2.750 3.438 -0.688 1
1 281 . 20 1 1 A 40 40 VAL C C 40 177.800 177.601 0.199 1
1 282 . 20 1 1 A 40 40 VAL CA C 40 67.300 66.431 0.869 1
1 283 . 20 1 1 A 40 40 VAL CB C 40 31.400 31.292 0.108 1
1 286 . 20 1 1 A 40 40 VAL N N 40 120.800 119.664 1.136 1
1 287 . 20 1 1 A 41 41 GLU H H 41 8.660 7.814 0.846 1
1 288 . 20 1 1 A 41 41 GLU HA H 41 3.680 3.908 -0.228 1
1 291 . 20 1 1 A 41 41 GLU C C 41 179.900 179.002 0.898 1
1 292 . 20 1 1 A 41 41 GLU CA C 41 60.500 59.321 1.179 1
1 293 . 20 1 1 A 41 41 GLU CB C 41 29.400 29.204 0.196 1
1 295 . 20 1 1 A 41 41 GLU N N 41 117.000 119.575 -2.575 1
1 296 . 20 1 1 A 42 42 LEU H H 42 7.960 7.867 0.093 1
1 297 . 20 1 1 A 42 42 LEU HA H 42 4.130 4.075 0.055 1
1 306 . 20 1 1 A 42 42 LEU C C 42 178.300 178.262 0.038 1
1 307 . 20 1 1 A 42 42 LEU CA C 42 58.000 57.797 0.203 1
1 308 . 20 1 1 A 42 42 LEU CB C 42 42.300 41.327 0.973 1
1 312 . 20 1 1 A 42 42 LEU N N 42 120.300 121.991 -1.691 1
1 313 . 20 1 1 A 43 43 ALA H H 43 8.040 7.825 0.215 1
1 314 . 20 1 1 A 43 43 ALA HA H 43 3.740 3.906 -0.166 1
1 318 . 20 1 1 A 43 43 ALA C C 43 179.400 180.030 -0.630 1
1 319 . 20 1 1 A 43 43 ALA CA C 43 55.700 55.290 0.410 1
1 320 . 20 1 1 A 43 43 ALA CB C 43 18.500 18.585 -0.085 1
1 321 . 20 1 1 A 43 43 ALA N N 43 123.600 120.995 2.605 1
1 322 . 20 1 1 A 44 44 LEU H H 44 8.340 7.978 0.362 1
1 323 . 20 1 1 A 44 44 LEU HA H 44 4.070 3.785 0.285 1
1 333 . 20 1 1 A 44 44 LEU C C 44 180.000 179.268 0.732 1
1 334 . 20 1 1 A 44 44 LEU CA C 44 57.500 57.631 -0.131 1
1 335 . 20 1 1 A 44 44 LEU CB C 44 40.800 41.711 -0.911 1
1 339 . 20 1 1 A 44 44 LEU N N 44 116.800 118.229 -1.429 1
1 340 . 20 1 1 A 45 45 LEU H H 45 7.860 7.943 -0.083 1
1 341 . 20 1 1 A 45 45 LEU HA H 45 4.170 3.877 0.293 1
1 351 . 20 1 1 A 45 45 LEU C C 45 179.600 178.526 1.074 1
1 352 . 20 1 1 A 45 45 LEU CA C 45 58.400 58.056 0.344 1
1 353 . 20 1 1 A 45 45 LEU CB C 45 42.200 41.217 0.983 1
1 357 . 20 1 1 A 45 45 LEU N N 45 122.600 120.201 2.399 1
1 358 . 20 1 1 A 46 46 VAL H H 46 8.070 8.496 -0.426 1
1 359 . 20 1 1 A 46 46 VAL HA H 46 3.610 3.466 0.144 1
1 367 . 20 1 1 A 46 46 VAL CA C 46 66.800 66.627 0.173 1
1 368 . 20 1 1 A 46 46 VAL CB C 46 31.600 31.172 0.428 1
1 370 . 20 1 1 A 46 46 VAL N N 46 120.100 118.886 1.214 1
1 371 . 20 1 1 A 47 47 GLN H H 47 8.360 8.227 0.133 1
1 372 . 20 1 1 A 47 47 GLN HA H 47 3.860 3.939 -0.079 1
1 378 . 20 1 1 A 47 47 GLN C C 47 178.000 177.954 0.046 1
1 379 . 20 1 1 A 47 47 GLN CA C 47 60.200 59.212 0.988 1
1 380 . 20 1 1 A 47 47 GLN CB C 47 27.800 28.356 -0.556 1
1 382 . 20 1 1 A 47 47 GLN N N 47 120.000 119.593 0.407 1
1 384 . 20 1 1 A 48 48 GLN H H 48 8.110 7.983 0.127 1
1 385 . 20 1 1 A 48 48 GLN HA H 48 4.080 4.005 0.075 1
1 392 . 20 1 1 A 48 48 GLN C C 48 178.500 178.202 0.298 1
1 393 . 20 1 1 A 48 48 GLN CA C 48 58.900 58.761 0.139 1
1 394 . 20 1 1 A 48 48 GLN CB C 48 29.400 28.390 1.010 1
1 396 . 20 1 1 A 48 48 GLN N N 48 117.600 117.336 0.264 1
1 398 . 20 1 1 A 49 49 LYS H H 49 8.110 7.544 0.566 1
1 399 . 20 1 1 A 49 49 LYS HA H 49 4.190 4.022 0.168 1
1 405 . 20 1 1 A 49 49 LYS C C 49 177.800 179.261 -1.461 1
1 406 . 20 1 1 A 49 49 LYS CA C 49 58.600 59.262 -0.662 1
1 407 . 20 1 1 A 49 49 LYS CB C 49 33.000 32.138 0.862 1
1 411 . 20 1 1 A 49 49 LYS N N 49 118.100 119.525 -1.425 1
1 412 . 20 1 1 A 50 50 ALA H H 50 8.240 8.292 -0.052 1
1 413 . 20 1 1 A 50 50 ALA HA H 50 4.460 4.314 0.146 1
1 417 . 20 1 1 A 50 50 ALA C C 50 176.700 177.237 -0.537 1
1 418 . 20 1 1 A 50 50 ALA CA C 50 52.700 52.555 0.145 1
1 419 . 20 1 1 A 50 50 ALA CB C 50 21.100 19.354 1.746 1
1 420 . 20 1 1 A 50 50 ALA N N 50 119.000 119.045 -0.045 1
1 421 . 20 1 1 A 51 51 LYS H H 51 8.000 8.025 -0.025 1
1 422 . 20 1 1 A 51 51 LYS HA H 51 4.030 3.964 0.066 1
1 429 . 20 1 1 A 51 51 LYS C C 51 175.800 175.102 0.698 1
1 430 . 20 1 1 A 51 51 LYS CA C 51 57.500 57.149 0.351 1
1 431 . 20 1 1 A 51 51 LYS CB C 51 29.500 30.843 -1.343 1
1 435 . 20 1 1 A 51 51 LYS N N 51 114.500 117.632 -3.132 1
1 436 . 20 1 1 A 52 52 VAL H H 52 7.000 7.508 -0.508 1
1 437 . 20 1 1 A 52 52 VAL HA H 52 4.570 4.436 0.134 1
1 445 . 20 1 1 A 52 52 VAL C C 52 175.000 174.294 0.706 1
1 446 . 20 1 1 A 52 52 VAL CA C 52 59.600 61.396 -1.796 1
1 447 . 20 1 1 A 52 52 VAL CB C 52 34.900 33.574 1.326 1
1 450 . 20 1 1 A 52 52 VAL N N 52 111.600 119.243 -7.643 1
1 451 . 20 1 1 A 53 53 LYS H H 53 8.150 9.022 -0.872 1
1 452 . 20 1 1 A 53 53 LYS HA H 53 4.510 4.996 -0.486 1
1 454 . 20 1 1 A 53 53 LYS C C 53 176.800 175.472 1.328 1
1 455 . 20 1 1 A 53 53 LYS CA C 53 55.700 55.128 0.572 1
1 456 . 20 1 1 A 53 53 LYS CB C 53 34.000 34.164 -0.164 1
1 457 . 20 1 1 A 53 53 LYS N N 53 120.800 128.240 -7.440 1
1 458 . 20 1 1 A 54 54 ILE H H 54 8.370 8.464 -0.094 1
1 459 . 20 1 1 A 54 54 ILE HA H 54 4.530 4.756 -0.226 1
1 469 . 20 1 1 A 54 54 ILE CA C 54 58.700 57.909 0.791 1
1 470 . 20 1 1 A 54 54 ILE CB C 54 38.400 39.838 -1.438 1
1 474 . 20 1 1 A 54 54 ILE N N 54 122.500 122.265 0.235 1
1 475 . 20 1 1 A 57 57 LYS HA H 57 3.780 3.704 0.076 1
1 484 . 20 1 1 A 57 57 LYS C C 57 176.300 177.838 -1.538 1
1 485 . 20 1 1 A 57 57 LYS CA C 57 59.000 58.735 0.265 1
1 486 . 20 1 1 A 57 57 LYS CB C 57 32.300 31.870 0.430 1
1 490 . 20 1 1 A 58 58 TRP H H 58 7.250 7.547 -0.297 1
1 491 . 20 1 1 A 58 58 TRP HA H 58 4.850 4.570 0.280 1
1 500 . 20 1 1 A 58 58 TRP C C 58 176.800 177.616 -0.816 1
1 501 . 20 1 1 A 58 58 TRP CA C 58 55.400 58.388 -2.988 1
1 502 . 20 1 1 A 58 58 TRP CB C 58 31.300 31.005 0.295 1
1 508 . 20 1 1 A 58 58 TRP N N 58 116.300 117.066 -0.766 1
1 510 . 20 1 1 A 59 59 LYS H H 59 7.310 8.576 -1.266 1
1 511 . 20 1 1 A 59 59 LYS HA H 59 3.960 3.878 0.082 1
1 517 . 20 1 1 A 59 59 LYS CA C 59 60.600 59.330 1.270 1
1 518 . 20 1 1 A 59 59 LYS CB C 59 33.500 31.874 1.626 1
1 522 . 20 1 1 A 59 59 LYS N N 59 118.600 119.894 -1.294 1
1 523 . 20 1 1 A 60 60 ARG HA H 60 4.540 4.364 0.176 1
1 528 . 20 1 1 A 60 60 ARG C C 60 177.200 177.233 -0.033 1
1 529 . 20 1 1 A 60 60 ARG CA C 60 55.400 56.677 -1.277 1
1 530 . 20 1 1 A 60 60 ARG CB C 60 30.400 30.345 0.055 1
1 533 . 20 1 1 A 61 61 ARG H H 61 7.620 7.832 -0.212 1
1 534 . 20 1 1 A 61 61 ARG HA H 61 4.250 4.420 -0.170 1
1 537 . 20 1 1 A 61 61 ARG C C 61 172.300 174.673 -2.373 1
1 538 . 20 1 1 A 61 61 ARG CA C 61 54.400 55.157 -0.757 1
1 539 . 20 1 1 A 61 61 ARG CB C 61 27.900 30.048 -2.148 1
1 541 . 20 1 1 A 61 61 ARG N N 61 116.000 117.888 -1.888 1
1 542 . 20 1 1 A 62 62 TYR H H 62 6.980 7.665 -0.685 1
1 543 . 20 1 1 A 62 62 TYR HA H 62 5.860 5.681 0.179 1
1 550 . 20 1 1 A 62 62 TYR C C 62 173.100 172.293 0.807 1
1 551 . 20 1 1 A 62 62 TYR CA C 62 55.000 56.039 -1.039 1
1 552 . 20 1 1 A 62 62 TYR CB C 62 43.000 41.196 1.804 1
1 557 . 20 1 1 A 62 62 TYR N N 62 112.300 116.078 -3.778 1
1 558 . 20 1 1 A 63 63 CYS H H 63 9.220 8.552 0.668 1
1 559 . 20 1 1 A 63 63 CYS HA H 63 4.280 4.475 -0.195 1
1 562 . 20 1 1 A 63 63 CYS C C 63 178.000 175.792 2.208 1
1 563 . 20 1 1 A 63 63 CYS CA C 63 59.900 57.972 1.928 1
1 564 . 20 1 1 A 63 63 CYS CB C 63 32.300 29.051 3.249 1
1 565 . 20 1 1 A 63 63 CYS N N 63 124.100 120.775 3.325 1
1 566 . 20 1 1 A 64 64 LYS H H 64 7.820 8.756 -0.936 1
1 567 . 20 1 1 A 64 64 LYS HA H 64 4.240 3.677 0.563 1
1 571 . 20 1 1 A 64 64 LYS C C 64 175.400 177.811 -2.411 1
1 572 . 20 1 1 A 64 64 LYS CA C 64 59.500 59.735 -0.235 1
1 573 . 20 1 1 A 64 64 LYS CB C 64 33.600 32.232 1.368 1
1 577 . 20 1 1 A 64 64 LYS N N 64 129.300 127.229 2.071 1
1 578 . 20 1 1 A 65 65 LYS H H 65 9.270 7.556 1.714 1
1 579 . 20 1 1 A 65 65 LYS HA H 65 4.250 4.165 0.085 1
1 586 . 20 1 1 A 65 65 LYS C C 65 176.300 178.884 -2.584 1
1 587 . 20 1 1 A 65 65 LYS CA C 65 58.500 58.204 0.296 1
1 588 . 20 1 1 A 65 65 LYS CB C 65 33.700 32.964 0.736 1
1 592 . 20 1 1 A 65 65 LYS N N 65 122.500 118.830 3.670 1
1 593 . 20 1 1 A 66 66 CYS H H 66 9.190 7.814 1.376 1
1 594 . 20 1 1 A 66 66 CYS HA H 66 4.560 4.294 0.266 1
1 597 . 20 1 1 A 66 66 CYS C C 66 176.200 174.864 1.336 1
1 598 . 20 1 1 A 66 66 CYS CA C 66 59.700 63.578 -3.878 1
1 599 . 20 1 1 A 66 66 CYS CB C 66 32.200 27.775 4.425 1
1 600 . 20 1 1 A 66 66 CYS N N 66 121.200 117.747 3.453 1
1 601 . 20 1 1 A 67 67 HIS H H 67 7.700 7.599 0.101 1
1 602 . 20 1 1 A 67 67 HIS HA H 67 4.850 4.348 0.502 1
1 604 . 20 1 1 A 67 67 HIS C C 67 171.000 173.856 -2.856 1
1 605 . 20 1 1 A 67 67 HIS CA C 67 56.200 57.106 -0.906 1
1 606 . 20 1 1 A 67 67 HIS CB C 67 26.800 26.842 -0.042 1
1 607 . 20 1 1 A 67 67 HIS N N 67 114.200 115.924 -1.724 1
1 608 . 20 1 1 A 68 68 ALA H H 68 8.720 7.693 1.027 1
1 609 . 20 1 1 A 68 68 ALA HA H 68 4.230 4.998 -0.768 1
1 613 . 20 1 1 A 68 68 ALA C C 68 177.800 176.328 1.472 1
1 614 . 20 1 1 A 68 68 ALA CA C 68 53.800 50.437 3.363 1
1 615 . 20 1 1 A 68 68 ALA CB C 68 19.800 22.704 -2.904 1
1 616 . 20 1 1 A 68 68 ALA N N 68 119.600 119.629 -0.029 1
1 617 . 20 1 1 A 69 69 PHE H H 69 8.500 8.806 -0.306 1
1 618 . 20 1 1 A 69 69 PHE HA H 69 4.590 5.154 -0.564 1
1 626 . 20 1 1 A 69 69 PHE C C 69 174.200 174.081 0.119 1
1 627 . 20 1 1 A 69 69 PHE CA C 69 58.300 59.646 -1.346 1
1 628 . 20 1 1 A 69 69 PHE CB C 69 40.900 38.906 1.994 1
1 634 . 20 1 1 A 69 69 PHE N N 69 122.200 121.238 0.962 1
1 635 . 20 1 1 A 70 70 LEU H H 70 7.550 9.369 -1.819 1
1 636 . 20 1 1 A 70 70 LEU HA H 70 4.540 5.341 -0.801 1
1 645 . 20 1 1 A 70 70 LEU C C 70 176.000 175.491 0.509 1
1 646 . 20 1 1 A 70 70 LEU CA C 70 53.700 53.870 -0.170 1
1 647 . 20 1 1 A 70 70 LEU CB C 70 43.600 44.061 -0.461 1
1 651 . 20 1 1 A 70 70 LEU N N 70 124.700 129.502 -4.802 1
1 652 . 20 1 1 A 71 71 VAL H H 71 9.700 8.792 0.908 1
1 653 . 20 1 1 A 71 71 VAL HA H 71 4.140 4.647 -0.507 1
1 661 . 20 1 1 A 71 71 VAL CA C 71 59.600 59.432 0.168 1
1 662 . 20 1 1 A 71 71 VAL CB C 71 34.000 35.822 -1.822 1
1 665 . 20 1 1 A 71 71 VAL N N 71 125.800 127.349 -1.549 1
1 666 . 20 1 1 A 72 72 PRO HA H 72 4.170 4.641 -0.471 1
1 673 . 20 1 1 A 72 72 PRO C C 72 176.200 177.334 -1.134 1
1 674 . 20 1 1 A 72 72 PRO CA C 72 64.100 63.677 0.423 1
1 675 . 20 1 1 A 72 72 PRO CB C 72 32.200 31.616 0.584 1
1 678 . 20 1 1 A 73 73 GLY H H 73 8.500 9.501 -1.001 1
1 679 . 20 1 1 A 73 73 GLY HA2 H 73 3.860 3.839 0.021 1
1 680 . 20 1 1 A 73 73 GLY HA3 H 73 4.550 3.843 0.707 1
1 681 . 20 1 1 A 73 73 GLY CA C 73 45.700 45.337 0.363 1
1 682 . 20 1 1 A 73 73 GLY N N 73 112.200 111.159 1.041 1
1 683 . 20 1 1 A 74 74 ILE H H 74 8.360 7.334 1.026 1
1 684 . 20 1 1 A 74 74 ILE HA H 74 4.580 4.031 0.549 1
1 694 . 20 1 1 A 74 74 ILE C C 74 175.700 177.296 -1.596 1
1 695 . 20 1 1 A 74 74 ILE CA C 74 62.700 62.808 -0.108 1
1 696 . 20 1 1 A 74 74 ILE CB C 74 38.400 38.488 -0.088 1
1 700 . 20 1 1 A 74 74 ILE N N 74 120.200 120.392 -0.192 1
1 701 . 20 1 1 A 75 75 ASN H H 75 8.470 7.902 0.568 1
1 702 . 20 1 1 A 75 75 ASN HA H 75 4.970 4.685 0.285 1
1 706 . 20 1 1 A 75 75 ASN C C 75 172.900 174.558 -1.658 1
1 707 . 20 1 1 A 75 75 ASN CA C 75 52.600 52.860 -0.260 1
1 708 . 20 1 1 A 75 75 ASN CB C 75 38.600 38.451 0.149 1
1 709 . 20 1 1 A 75 75 ASN N N 75 116.400 115.509 0.891 1
1 711 . 20 1 1 A 76 76 ALA H H 76 7.250 7.577 -0.327 1
1 712 . 20 1 1 A 76 76 ALA HA H 76 5.510 5.273 0.237 1
1 716 . 20 1 1 A 76 76 ALA C C 76 176.200 175.072 1.128 1
1 717 . 20 1 1 A 76 76 ALA CA C 76 50.400 51.514 -1.114 1
1 718 . 20 1 1 A 76 76 ALA CB C 76 23.200 22.945 0.255 1
1 719 . 20 1 1 A 76 76 ALA N N 76 117.400 119.602 -2.202 1
1 720 . 20 1 1 A 77 77 ARG H H 77 8.850 8.848 0.002 1
1 721 . 20 1 1 A 77 77 ARG HA H 77 4.950 5.170 -0.220 1
1 728 . 20 1 1 A 77 77 ARG CA C 77 54.800 54.589 0.211 1
1 729 . 20 1 1 A 77 77 ARG CB C 77 33.700 34.030 -0.330 1
1 732 . 20 1 1 A 77 77 ARG N N 77 123.000 122.305 0.695 1
1 733 . 20 1 1 A 78 78 VAL H H 78 8.920 9.005 -0.085 1
1 734 . 20 1 1 A 78 78 VAL HA H 78 4.730 5.303 -0.573 1
1 742 . 20 1 1 A 78 78 VAL CA C 78 61.400 59.669 1.731 1
1 743 . 20 1 1 A 78 78 VAL CB C 78 34.400 34.601 -0.201 1
1 746 . 20 1 1 A 78 78 VAL N N 78 127.400 124.720 2.680 1
1 747 . 20 1 1 A 79 79 ARG H H 79 9.000 8.754 0.246 1
1 748 . 20 1 1 A 79 79 ARG HA H 79 4.750 4.801 -0.051 1
1 754 . 20 1 1 A 79 79 ARG CA C 79 54.400 55.315 -0.915 1
1 755 . 20 1 1 A 79 79 ARG CB C 79 34.300 32.232 2.068 1
1 758 . 20 1 1 A 79 79 ARG N N 79 126.400 127.808 -1.408 1
1 759 . 20 1 1 A 80 80 LEU H H 80 8.480 9.244 -0.764 1
1 760 . 20 1 1 A 80 80 LEU HA H 80 4.690 5.050 -0.360 1
1 770 . 20 1 1 A 80 80 LEU CA C 80 54.600 53.686 0.914 1
1 771 . 20 1 1 A 80 80 LEU CB C 80 43.500 42.809 0.691 1
1 775 . 20 1 1 A 80 80 LEU N N 80 124.700 124.907 -0.207 1
1 776 . 20 1 1 A 81 81 ARG H H 81 8.800 9.272 -0.472 1
1 777 . 20 1 1 A 81 81 ARG HA H 81 4.540 4.902 -0.362 1
1 781 . 20 1 1 A 81 81 ARG CA C 81 54.600 54.743 -0.143 1
1 782 . 20 1 1 A 81 81 ARG CB C 81 31.600 32.988 -1.388 1
1 785 . 20 1 1 A 81 81 ARG N N 81 126.100 124.492 1.608 1
1 786 . 20 1 1 A 86 86 PRO HA H 86 4.700 4.844 -0.144 1
1 792 . 20 1 1 A 86 86 PRO C C 86 176.400 176.107 0.293 1
1 793 . 20 1 1 A 86 86 PRO CA C 86 64.000 62.836 1.164 1
1 794 . 20 1 1 A 86 86 PRO CB C 86 32.600 32.640 -0.040 1
1 796 . 20 1 1 A 87 87 HIS H H 87 8.560 8.140 0.420 1
1 797 . 20 1 1 A 87 87 HIS HA H 87 5.140 5.055 0.085 1
1 800 . 20 1 1 A 87 87 HIS C C 87 172.600 174.362 -1.762 1
1 801 . 20 1 1 A 87 87 HIS CA C 87 56.000 54.806 1.194 1
1 802 . 20 1 1 A 87 87 HIS CB C 87 32.400 34.053 -1.653 1
1 803 . 20 1 1 A 87 87 HIS N N 87 118.700 121.369 -2.669 1
1 804 . 20 1 1 A 88 88 ILE H H 88 9.250 8.860 0.390 1
1 805 . 20 1 1 A 88 88 ILE HA H 88 4.710 5.239 -0.529 1
1 815 . 20 1 1 A 88 88 ILE CA C 88 60.200 59.220 0.980 1
1 816 . 20 1 1 A 88 88 ILE CB C 88 40.600 41.960 -1.360 1
1 820 . 20 1 1 A 88 88 ILE N N 88 120.600 116.898 3.702 1
1 821 . 20 1 1 A 89 89 VAL H H 89 9.050 8.963 0.087 1
1 822 . 20 1 1 A 89 89 VAL HA H 89 4.800 5.264 -0.464 1
1 830 . 20 1 1 A 89 89 VAL C C 89 175.000 174.616 0.384 1
1 831 . 20 1 1 A 89 89 VAL CA C 89 61.400 60.021 1.379 1
1 832 . 20 1 1 A 89 89 VAL CB C 89 34.400 34.407 -0.007 1
1 835 . 20 1 1 A 90 90 VAL H H 90 9.340 9.818 -0.478 1
1 836 . 20 1 1 A 90 90 VAL HA H 90 5.160 5.235 -0.075 1
1 844 . 20 1 1 A 90 90 VAL C C 90 173.600 175.192 -1.592 1
1 845 . 20 1 1 A 90 90 VAL CA C 90 61.400 60.910 0.490 1
1 846 . 20 1 1 A 90 90 VAL CB C 90 34.100 34.504 -0.404 1
1 849 . 20 1 1 A 90 90 VAL N N 90 128.000 125.432 2.568 1
1 850 . 20 1 1 A 91 91 LYS H H 91 9.030 8.854 0.176 1
1 851 . 20 1 1 A 91 91 LYS HA H 91 5.160 5.474 -0.314 1
1 858 . 20 1 1 A 91 91 LYS C C 91 175.300 175.180 0.120 1
1 859 . 20 1 1 A 91 91 LYS CA C 91 54.100 54.477 -0.377 1
1 860 . 20 1 1 A 91 91 LYS CB C 91 36.600 35.955 0.645 1
1 864 . 20 1 1 A 91 91 LYS N N 91 128.100 124.512 3.588 1
1 865 . 20 1 1 A 92 92 CYS H H 92 9.050 8.336 0.714 1
1 866 . 20 1 1 A 92 92 CYS HA H 92 4.950 5.286 -0.336 1
1 869 . 20 1 1 A 92 92 CYS C C 92 177.300 175.065 2.235 1
1 870 . 20 1 1 A 92 92 CYS CA C 92 59.600 57.148 2.452 1
1 871 . 20 1 1 A 92 92 CYS CB C 92 32.600 29.825 2.775 1
1 872 . 20 1 1 A 92 92 CYS N N 92 129.900 119.909 9.991 1
1 873 . 20 1 1 A 93 93 LEU H H 93 8.910 9.032 -0.122 1
1 874 . 20 1 1 A 93 93 LEU HA H 93 4.480 3.897 0.583 1
1 884 . 20 1 1 A 93 93 LEU C C 93 178.100 178.388 -0.288 1
1 885 . 20 1 1 A 93 93 LEU CA C 93 55.300 58.219 -2.919 1
1 886 . 20 1 1 A 93 93 LEU CB C 93 40.500 41.463 -0.963 1
1 890 . 20 1 1 A 93 93 LEU N N 93 127.300 125.209 2.091 1
1 891 . 20 1 1 A 94 94 GLU H H 94 9.460 8.317 1.143 1
1 892 . 20 1 1 A 94 94 GLU HA H 94 4.420 4.001 0.419 1
1 897 . 20 1 1 A 94 94 GLU C C 94 178.400 179.297 -0.897 1
1 898 . 20 1 1 A 94 94 GLU CA C 94 59.700 59.403 0.297 1
1 899 . 20 1 1 A 94 94 GLU CB C 94 29.900 29.500 0.400 1
1 901 . 20 1 1 A 94 94 GLU N N 94 122.900 118.432 4.468 1
1 902 . 20 1 1 A 95 95 CYS H H 95 9.110 7.787 1.323 1
1 903 . 20 1 1 A 95 95 CYS HA H 95 5.140 4.479 0.661 1
1 906 . 20 1 1 A 95 95 CYS C C 95 176.900 175.217 1.683 1
1 907 . 20 1 1 A 95 95 CYS CA C 95 58.900 59.534 -0.634 1
1 908 . 20 1 1 A 95 95 CYS CB C 95 33.600 27.941 5.659 1
1 909 . 20 1 1 A 95 95 CYS N N 95 119.200 115.794 3.406 1
1 910 . 20 1 1 A 96 96 GLY H H 96 8.000 9.126 -1.126 1
1 911 . 20 1 1 A 96 96 GLY HA2 H 96 3.850 3.592 0.258 1
1 912 . 20 1 1 A 96 96 GLY C C 96 174.100 173.347 0.753 1
1 913 . 20 1 1 A 96 96 GLY CA C 96 46.500 45.573 0.927 1
1 914 . 20 1 1 A 96 96 GLY N N 96 115.300 109.953 5.347 1
1 915 . 20 1 1 A 97 97 HIS H H 97 9.310 7.412 1.898 1
1 916 . 20 1 1 A 97 97 HIS HA H 97 4.500 5.022 -0.522 1
1 919 . 20 1 1 A 97 97 HIS C C 97 173.200 173.205 -0.005 1
1 920 . 20 1 1 A 97 97 HIS CA C 97 58.600 54.811 3.789 1
1 921 . 20 1 1 A 97 97 HIS CB C 97 33.000 33.474 -0.474 1
1 922 . 20 1 1 A 97 97 HIS N N 97 125.300 117.231 8.069 1
1 923 . 20 1 1 A 98 98 ILE H H 98 6.890 8.840 -1.950 1
1 924 . 20 1 1 A 98 98 ILE HA H 98 4.760 4.955 -0.195 1
1 934 . 20 1 1 A 98 98 ILE C C 98 175.000 173.899 1.101 1
1 935 . 20 1 1 A 98 98 ILE CA C 98 60.000 59.456 0.544 1
1 936 . 20 1 1 A 98 98 ILE CB C 98 40.200 40.877 -0.677 1
1 940 . 20 1 1 A 98 98 ILE N N 98 123.600 122.784 0.816 1
1 941 . 20 1 1 A 99 99 MET H H 99 9.050 9.752 -0.702 1
1 942 . 20 1 1 A 99 99 MET HA H 99 4.630 5.370 -0.740 1
1 950 . 20 1 1 A 99 99 MET C C 99 173.100 174.388 -1.288 1
1 951 . 20 1 1 A 99 99 MET CA C 99 54.400 53.929 0.471 1
1 952 . 20 1 1 A 99 99 MET CB C 99 37.900 35.983 1.917 1
1 955 . 20 1 1 A 99 99 MET N N 99 126.400 127.679 -1.279 1
1 956 . 20 1 1 A 100 100 ARG H H 100 7.930 8.846 -0.916 1
1 957 . 20 1 1 A 100 100 ARG HA H 100 5.370 5.072 0.298 1
1 963 . 20 1 1 A 100 100 ARG C C 100 175.200 174.113 1.087 1
1 964 . 20 1 1 A 100 100 ARG CA C 100 54.700 54.612 0.088 1
1 965 . 20 1 1 A 100 100 ARG CB C 100 33.600 33.167 0.433 1
1 968 . 20 1 1 A 100 100 ARG N N 100 120.200 123.742 -3.542 1
1 969 . 20 1 1 A 101 101 TYR H H 101 9.110 8.988 0.122 1
1 970 . 20 1 1 A 101 101 TYR HA H 101 5.130 5.170 -0.040 1
1 977 . 20 1 1 A 101 101 TYR CA C 101 55.300 55.298 0.002 1
1 978 . 20 1 1 A 101 101 TYR CB C 101 40.900 39.671 1.229 1
1 983 . 20 1 1 A 101 101 TYR N N 101 121.100 127.475 -6.375 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 61 1.192 1
2 1 1 1 "RMS(OBS, PRED)" CA 78 1.324 1
3 1 1 1 "RMS(OBS, PRED)" CB 76 1.420 1
4 1 1 1 "RMS(OBS, PRED)" H 71 0.708 1
5 1 1 1 "RMS(OBS, PRED)" HA 79 0.372 1
6 1 1 1 "RMS(OBS, PRED)" N 70 2.960 1
7 1 2 1 "RMS(OBS, PRED)" C 61 1.243 1
8 1 2 1 "RMS(OBS, PRED)" CA 78 1.352 1
9 1 2 1 "RMS(OBS, PRED)" CB 76 1.422 1
10 1 2 1 "RMS(OBS, PRED)" H 71 0.758 1
11 1 2 1 "RMS(OBS, PRED)" HA 79 0.351 1
12 1 2 1 "RMS(OBS, PRED)" N 70 3.002 1
13 1 3 1 "RMS(OBS, PRED)" C 61 1.314 1
14 1 3 1 "RMS(OBS, PRED)" CA 78 1.323 1
15 1 3 1 "RMS(OBS, PRED)" CB 76 1.471 1
16 1 3 1 "RMS(OBS, PRED)" H 71 0.707 1
17 1 3 1 "RMS(OBS, PRED)" HA 79 0.365 1
18 1 3 1 "RMS(OBS, PRED)" N 70 2.891 1
19 1 4 1 "RMS(OBS, PRED)" C 61 1.219 1
20 1 4 1 "RMS(OBS, PRED)" CA 78 1.261 1
21 1 4 1 "RMS(OBS, PRED)" CB 76 1.411 1
22 1 4 1 "RMS(OBS, PRED)" H 71 0.751 1
23 1 4 1 "RMS(OBS, PRED)" HA 79 0.373 1
24 1 4 1 "RMS(OBS, PRED)" N 70 2.948 1
25 1 5 1 "RMS(OBS, PRED)" C 61 1.257 1
26 1 5 1 "RMS(OBS, PRED)" CA 78 1.389 1
27 1 5 1 "RMS(OBS, PRED)" CB 76 1.509 1
28 1 5 1 "RMS(OBS, PRED)" H 71 0.722 1
29 1 5 1 "RMS(OBS, PRED)" HA 79 0.375 1
30 1 5 1 "RMS(OBS, PRED)" N 70 3.032 1
31 1 6 1 "RMS(OBS, PRED)" C 61 1.249 1
32 1 6 1 "RMS(OBS, PRED)" CA 78 1.354 1
33 1 6 1 "RMS(OBS, PRED)" CB 76 1.525 1
34 1 6 1 "RMS(OBS, PRED)" H 71 0.699 1
35 1 6 1 "RMS(OBS, PRED)" HA 79 0.381 1
36 1 6 1 "RMS(OBS, PRED)" N 70 2.925 1
37 1 7 1 "RMS(OBS, PRED)" C 61 1.258 1
38 1 7 1 "RMS(OBS, PRED)" CA 78 1.306 1
39 1 7 1 "RMS(OBS, PRED)" CB 76 1.393 1
40 1 7 1 "RMS(OBS, PRED)" H 71 0.761 1
41 1 7 1 "RMS(OBS, PRED)" HA 79 0.369 1
42 1 7 1 "RMS(OBS, PRED)" N 70 2.926 1
43 1 8 1 "RMS(OBS, PRED)" C 61 1.248 1
44 1 8 1 "RMS(OBS, PRED)" CA 78 1.320 1
45 1 8 1 "RMS(OBS, PRED)" CB 76 1.465 1
46 1 8 1 "RMS(OBS, PRED)" H 71 0.766 1
47 1 8 1 "RMS(OBS, PRED)" HA 79 0.372 1
48 1 8 1 "RMS(OBS, PRED)" N 70 2.835 1
49 1 9 1 "RMS(OBS, PRED)" C 61 1.231 1
50 1 9 1 "RMS(OBS, PRED)" CA 78 1.336 1
51 1 9 1 "RMS(OBS, PRED)" CB 76 1.431 1
52 1 9 1 "RMS(OBS, PRED)" H 71 0.734 1
53 1 9 1 "RMS(OBS, PRED)" HA 79 0.386 1
54 1 9 1 "RMS(OBS, PRED)" N 70 2.918 1
55 1 10 1 "RMS(OBS, PRED)" C 61 1.187 1
56 1 10 1 "RMS(OBS, PRED)" CA 78 1.256 1
57 1 10 1 "RMS(OBS, PRED)" CB 76 1.422 1
58 1 10 1 "RMS(OBS, PRED)" H 71 0.754 1
59 1 10 1 "RMS(OBS, PRED)" HA 79 0.371 1
60 1 10 1 "RMS(OBS, PRED)" N 70 2.842 1
61 1 11 1 "RMS(OBS, PRED)" C 61 1.228 1
62 1 11 1 "RMS(OBS, PRED)" CA 78 1.274 1
63 1 11 1 "RMS(OBS, PRED)" CB 76 1.411 1
64 1 11 1 "RMS(OBS, PRED)" H 71 0.794 1
65 1 11 1 "RMS(OBS, PRED)" HA 79 0.345 1
66 1 11 1 "RMS(OBS, PRED)" N 70 2.900 1
67 1 12 1 "RMS(OBS, PRED)" C 61 1.224 1
68 1 12 1 "RMS(OBS, PRED)" CA 78 1.275 1
69 1 12 1 "RMS(OBS, PRED)" CB 76 1.413 1
70 1 12 1 "RMS(OBS, PRED)" H 71 0.749 1
71 1 12 1 "RMS(OBS, PRED)" HA 79 0.381 1
72 1 12 1 "RMS(OBS, PRED)" N 70 2.866 1
73 1 13 1 "RMS(OBS, PRED)" C 61 1.213 1
74 1 13 1 "RMS(OBS, PRED)" CA 78 1.272 1
75 1 13 1 "RMS(OBS, PRED)" CB 76 1.463 1
76 1 13 1 "RMS(OBS, PRED)" H 71 0.791 1
77 1 13 1 "RMS(OBS, PRED)" HA 79 0.364 1
78 1 13 1 "RMS(OBS, PRED)" N 70 2.985 1
79 1 14 1 "RMS(OBS, PRED)" C 61 1.204 1
80 1 14 1 "RMS(OBS, PRED)" CA 78 1.286 1
81 1 14 1 "RMS(OBS, PRED)" CB 76 1.378 1
82 1 14 1 "RMS(OBS, PRED)" H 71 0.716 1
83 1 14 1 "RMS(OBS, PRED)" HA 79 0.376 1
84 1 14 1 "RMS(OBS, PRED)" N 70 2.869 1
85 1 15 1 "RMS(OBS, PRED)" C 61 1.246 1
86 1 15 1 "RMS(OBS, PRED)" CA 78 1.260 1
87 1 15 1 "RMS(OBS, PRED)" CB 76 1.433 1
88 1 15 1 "RMS(OBS, PRED)" H 71 0.720 1
89 1 15 1 "RMS(OBS, PRED)" HA 79 0.375 1
90 1 15 1 "RMS(OBS, PRED)" N 70 2.875 1
91 1 16 1 "RMS(OBS, PRED)" C 61 1.210 1
92 1 16 1 "RMS(OBS, PRED)" CA 78 1.131 1
93 1 16 1 "RMS(OBS, PRED)" CB 76 1.401 1
94 1 16 1 "RMS(OBS, PRED)" H 71 0.765 1
95 1 16 1 "RMS(OBS, PRED)" HA 79 0.359 1
96 1 16 1 "RMS(OBS, PRED)" N 70 2.991 1
97 1 17 1 "RMS(OBS, PRED)" C 61 1.253 1
98 1 17 1 "RMS(OBS, PRED)" CA 78 1.384 1
99 1 17 1 "RMS(OBS, PRED)" CB 76 1.523 1
100 1 17 1 "RMS(OBS, PRED)" H 71 0.699 1
101 1 17 1 "RMS(OBS, PRED)" HA 79 0.356 1
102 1 17 1 "RMS(OBS, PRED)" N 70 3.221 1
103 1 18 1 "RMS(OBS, PRED)" C 61 1.213 1
104 1 18 1 "RMS(OBS, PRED)" CA 78 1.288 1
105 1 18 1 "RMS(OBS, PRED)" CB 76 1.474 1
106 1 18 1 "RMS(OBS, PRED)" H 71 0.772 1
107 1 18 1 "RMS(OBS, PRED)" HA 79 0.371 1
108 1 18 1 "RMS(OBS, PRED)" N 70 3.261 1
109 1 19 1 "RMS(OBS, PRED)" C 61 1.222 1
110 1 19 1 "RMS(OBS, PRED)" CA 78 1.335 1
111 1 19 1 "RMS(OBS, PRED)" CB 76 1.467 1
112 1 19 1 "RMS(OBS, PRED)" H 71 0.729 1
113 1 19 1 "RMS(OBS, PRED)" HA 79 0.357 1
114 1 19 1 "RMS(OBS, PRED)" N 70 3.035 1
115 1 20 1 "RMS(OBS, PRED)" C 61 1.238 1
116 1 20 1 "RMS(OBS, PRED)" CA 78 1.303 1
117 1 20 1 "RMS(OBS, PRED)" CB 76 1.478 1
118 1 20 1 "RMS(OBS, PRED)" H 71 0.763 1
119 1 20 1 "RMS(OBS, PRED)" HA 79 0.364 1
120 1 20 1 "RMS(OBS, PRED)" N 70 3.196 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 18 18 ILE HA H 18 3.610 3.915 -0.305 2
1 11 . 1 1 A 18 18 ILE C C 18 176.800 177.718 -0.918 2
1 12 . 1 1 A 18 18 ILE CA C 18 66.700 64.202 2.498 2
1 13 . 1 1 A 18 18 ILE CB C 18 38.600 37.719 0.881 2
1 17 . 1 1 A 19 19 ASP H H 19 8.050 8.133 -0.083 2
1 18 . 1 1 A 19 19 ASP HA H 19 4.580 4.537 0.043 2
1 21 . 1 1 A 19 19 ASP CA C 19 58.200 57.622 0.578 2
1 22 . 1 1 A 19 19 ASP CB C 19 42.500 40.841 1.659 2
1 23 . 1 1 A 19 19 ASP N N 19 119.100 120.923 -1.823 2
1 24 . 1 1 A 20 20 ILE H H 20 8.240 7.810 0.430 2
1 25 . 1 1 A 20 20 ILE HA H 20 3.730 3.728 0.002 2
1 35 . 1 1 A 20 20 ILE CA C 20 65.000 65.516 -0.516 2
1 36 . 1 1 A 20 20 ILE CB C 20 38.300 37.763 0.537 2
1 40 . 1 1 A 20 20 ILE N N 20 120.400 120.284 0.116 2
1 41 . 1 1 A 21 21 LEU H H 21 7.870 8.213 -0.343 2
1 42 . 1 1 A 21 21 LEU HA H 21 4.440 4.036 0.404 2
1 49 . 1 1 A 21 21 LEU C C 21 178.700 179.174 -0.475 2
1 50 . 1 1 A 21 21 LEU CA C 21 59.800 58.142 1.658 2
1 51 . 1 1 A 21 21 LEU CB C 21 42.200 41.818 0.382 2
1 54 . 1 1 A 21 21 LEU N N 21 121.100 119.830 1.270 2
1 55 . 1 1 A 22 22 PHE H H 22 7.820 8.911 -1.091 2
1 56 . 1 1 A 22 22 PHE HA H 22 3.480 4.295 -0.815 2
1 63 . 1 1 A 22 22 PHE C C 22 177.300 177.680 -0.380 2
1 64 . 1 1 A 22 22 PHE CA C 22 63.100 62.035 1.065 2
1 65 . 1 1 A 22 22 PHE CB C 22 36.400 39.217 -2.817 2
1 70 . 1 1 A 22 22 PHE N N 22 116.900 119.795 -2.895 2
1 71 . 1 1 A 23 23 SER H H 23 7.940 8.209 -0.269 2
1 72 . 1 1 A 23 23 SER HA H 23 4.520 4.137 0.383 2
1 75 . 1 1 A 23 23 SER C C 23 177.300 177.143 0.157 2
1 76 . 1 1 A 23 23 SER CA C 23 63.500 61.639 1.861 2
1 77 . 1 1 A 23 23 SER CB C 23 62.900 62.869 0.031 2
1 78 . 1 1 A 23 23 SER N N 23 114.400 114.623 -0.223 2
1 79 . 1 1 A 24 24 LEU H H 24 8.050 7.997 0.053 2
1 80 . 1 1 A 24 24 LEU HA H 24 3.820 4.005 -0.186 2
1 89 . 1 1 A 24 24 LEU C C 24 178.200 178.869 -0.669 2
1 90 . 1 1 A 24 24 LEU CA C 24 58.100 57.492 0.608 2
1 91 . 1 1 A 24 24 LEU CB C 24 40.700 41.530 -0.830 2
1 95 . 1 1 A 24 24 LEU N N 24 124.700 121.340 3.360 2
1 96 . 1 1 A 25 25 ALA H H 25 7.590 8.903 -1.313 2
1 97 . 1 1 A 25 25 ALA HA H 25 3.820 4.022 -0.202 2
1 101 . 1 1 A 25 25 ALA C C 25 177.700 179.481 -1.781 2
1 102 . 1 1 A 25 25 ALA CA C 25 55.800 55.594 0.206 2
1 103 . 1 1 A 25 25 ALA CB C 25 18.400 18.233 0.167 2
1 104 . 1 1 A 25 25 ALA N N 25 122.400 122.144 0.256 2
1 105 . 1 1 A 26 26 GLU H H 26 7.690 7.987 -0.297 2
1 106 . 1 1 A 26 26 GLU HA H 26 4.270 3.754 0.516 2
1 111 . 1 1 A 26 26 GLU C C 26 178.600 178.587 0.013 2
1 112 . 1 1 A 26 26 GLU CA C 26 60.000 59.006 0.994 2
1 113 . 1 1 A 26 26 GLU CB C 26 31.100 29.071 2.029 2
1 115 . 1 1 A 26 26 GLU N N 26 116.000 119.171 -3.171 2
1 116 . 1 1 A 27 27 ARG H H 27 7.670 7.655 0.015 2
1 117 . 1 1 A 27 27 ARG HA H 27 4.190 4.088 0.102 2
1 122 . 1 1 A 27 27 ARG C C 27 178.400 178.488 -0.088 2
1 123 . 1 1 A 27 27 ARG CA C 27 58.800 58.796 0.004 2
1 124 . 1 1 A 27 27 ARG CB C 27 30.700 29.961 0.739 2
1 127 . 1 1 A 27 27 ARG N N 27 116.700 120.206 -3.506 2
1 128 . 1 1 A 28 28 VAL H H 28 8.230 7.925 0.305 2
1 129 . 1 1 A 28 28 VAL HA H 28 4.530 3.813 0.717 2
1 137 . 1 1 A 28 28 VAL C C 28 176.500 178.017 -1.517 2
1 138 . 1 1 A 28 28 VAL CA C 28 62.600 65.123 -2.523 2
1 139 . 1 1 A 28 28 VAL CB C 28 33.000 31.353 1.647 2
1 142 . 1 1 A 28 28 VAL N N 28 112.600 118.827 -6.227 2
1 143 . 1 1 A 29 29 PHE H H 29 8.020 8.217 -0.198 2
1 144 . 1 1 A 29 29 PHE HA H 29 3.960 4.298 -0.338 2
1 151 . 1 1 A 29 29 PHE CA C 29 64.500 62.692 1.808 2
1 152 . 1 1 A 29 29 PHE CB C 29 37.300 36.916 0.384 2
1 157 . 1 1 A 29 29 PHE N N 29 124.600 122.351 2.249 2
1 158 . 1 1 A 30 30 PRO HA H 30 4.150 4.045 0.105 2
1 163 . 1 1 A 30 30 PRO C C 30 176.600 178.669 -2.069 2
1 164 . 1 1 A 30 30 PRO CA C 30 65.600 65.742 -0.142 2
1 165 . 1 1 A 30 30 PRO CB C 30 31.400 30.759 0.641 2
1 168 . 1 1 A 31 31 TYR H H 31 7.540 8.198 -0.658 2
1 169 . 1 1 A 31 31 TYR HA H 31 4.600 4.243 0.357 2
1 176 . 1 1 A 31 31 TYR C C 31 176.500 175.784 0.717 2
1 177 . 1 1 A 31 31 TYR CA C 31 58.300 61.235 -2.935 2
1 178 . 1 1 A 31 31 TYR CB C 31 39.400 38.840 0.560 2
1 183 . 1 1 A 31 31 TYR N N 31 113.500 118.642 -5.142 2
1 184 . 1 1 A 32 32 SER H H 32 8.210 8.249 -0.039 2
1 185 . 1 1 A 32 32 SER HA H 32 4.770 4.727 0.043 2
1 188 . 1 1 A 32 32 SER CA C 32 55.700 55.759 -0.059 2
1 189 . 1 1 A 32 32 SER CB C 32 63.200 65.643 -2.443 2
1 190 . 1 1 A 32 32 SER N N 32 111.700 112.378 -0.678 2
1 191 . 1 1 A 33 33 PRO HA H 33 4.250 4.354 -0.104 2
1 195 . 1 1 A 33 33 PRO C C 33 179.000 178.541 0.459 2
1 196 . 1 1 A 33 33 PRO CA C 33 65.400 65.382 0.018 2
1 197 . 1 1 A 33 33 PRO CB C 33 33.000 31.736 1.264 2
1 200 . 1 1 A 34 34 GLU H H 34 8.390 8.150 0.240 2
1 201 . 1 1 A 34 34 GLU HA H 34 4.130 4.139 -0.009 2
1 204 . 1 1 A 34 34 GLU C C 34 178.700 179.454 -0.754 2
1 205 . 1 1 A 34 34 GLU CA C 34 59.900 59.477 0.423 2
1 206 . 1 1 A 34 34 GLU CB C 34 30.000 29.375 0.625 2
1 208 . 1 1 A 34 34 GLU N N 34 118.500 118.056 0.444 2
1 209 . 1 1 A 35 35 LEU H H 35 7.970 8.462 -0.492 2
1 210 . 1 1 A 35 35 LEU HA H 35 4.070 4.042 0.028 2
1 217 . 1 1 A 35 35 LEU CA C 35 57.400 58.071 -0.671 2
1 218 . 1 1 A 35 35 LEU CB C 35 42.200 41.772 0.428 2
1 221 . 1 1 A 35 35 LEU N N 35 122.000 120.684 1.316 2
1 222 . 1 1 A 36 36 ALA H H 36 7.860 8.370 -0.510 2
1 223 . 1 1 A 36 36 ALA HA H 36 4.040 4.184 -0.144 2
1 227 . 1 1 A 36 36 ALA C C 36 178.600 179.139 -0.539 2
1 228 . 1 1 A 36 36 ALA CA C 36 56.400 55.418 0.982 2
1 229 . 1 1 A 36 36 ALA CB C 36 19.500 18.551 0.949 2
1 230 . 1 1 A 36 36 ALA N N 36 121.000 121.911 -0.911 2
1 231 . 1 1 A 37 37 LYS H H 37 7.910 8.198 -0.288 2
1 232 . 1 1 A 37 37 LYS HA H 37 4.300 3.999 0.301 2
1 237 . 1 1 A 37 37 LYS C C 37 177.800 178.828 -1.028 2
1 238 . 1 1 A 37 37 LYS CA C 37 59.700 59.821 -0.121 2
1 239 . 1 1 A 37 37 LYS CB C 37 32.400 32.716 -0.316 2
1 243 . 1 1 A 37 37 LYS N N 37 117.700 118.290 -0.590 2
1 244 . 1 1 A 38 38 ARG H H 38 7.640 7.566 0.074 2
1 245 . 1 1 A 38 38 ARG HA H 38 4.090 3.984 0.106 2
1 251 . 1 1 A 38 38 ARG C C 38 179.600 178.815 0.785 2
1 252 . 1 1 A 38 38 ARG CA C 38 59.300 59.497 -0.197 2
1 253 . 1 1 A 38 38 ARG CB C 38 30.000 29.736 0.264 2
1 256 . 1 1 A 38 38 ARG N N 38 118.200 118.807 -0.607 2
1 257 . 1 1 A 39 39 TYR H H 39 7.860 8.084 -0.224 2
1 258 . 1 1 A 39 39 TYR HA H 39 4.290 4.387 -0.097 2
1 264 . 1 1 A 39 39 TYR C C 39 177.800 178.473 -0.673 2
1 265 . 1 1 A 39 39 TYR CA C 39 62.500 60.497 2.003 2
1 266 . 1 1 A 39 39 TYR CB C 39 38.300 37.838 0.462 2
1 271 . 1 1 A 39 39 TYR N N 39 119.200 119.747 -0.547 2
1 272 . 1 1 A 40 40 VAL H H 40 7.960 8.842 -0.882 2
1 273 . 1 1 A 40 40 VAL HA H 40 2.750 3.491 -0.741 2
1 281 . 1 1 A 40 40 VAL C C 40 177.800 177.863 -0.063 2
1 282 . 1 1 A 40 40 VAL CA C 40 67.300 66.469 0.831 2
1 283 . 1 1 A 40 40 VAL CB C 40 31.400 31.341 0.058 2
1 286 . 1 1 A 40 40 VAL N N 40 120.800 119.789 1.011 2
1 287 . 1 1 A 41 41 GLU H H 41 8.660 7.897 0.763 2
1 288 . 1 1 A 41 41 GLU HA H 41 3.680 3.941 -0.261 2
1 291 . 1 1 A 41 41 GLU C C 41 179.900 178.834 1.066 2
1 292 . 1 1 A 41 41 GLU CA C 41 60.500 59.096 1.404 2
1 293 . 1 1 A 41 41 GLU CB C 41 29.400 29.337 0.063 2
1 295 . 1 1 A 41 41 GLU N N 41 117.000 119.943 -2.943 2
1 296 . 1 1 A 42 42 LEU H H 42 7.960 7.812 0.148 2
1 297 . 1 1 A 42 42 LEU HA H 42 4.130 4.077 0.053 2
1 306 . 1 1 A 42 42 LEU C C 42 178.300 178.268 0.032 2
1 307 . 1 1 A 42 42 LEU CA C 42 58.000 57.773 0.227 2
1 308 . 1 1 A 42 42 LEU CB C 42 42.300 41.331 0.969 2
1 312 . 1 1 A 42 42 LEU N N 42 120.300 121.686 -1.386 2
1 313 . 1 1 A 43 43 ALA H H 43 8.040 7.805 0.235 2
1 314 . 1 1 A 43 43 ALA HA H 43 3.740 3.916 -0.176 2
1 318 . 1 1 A 43 43 ALA C C 43 179.400 179.947 -0.547 2
1 319 . 1 1 A 43 43 ALA CA C 43 55.700 55.232 0.468 2
1 320 . 1 1 A 43 43 ALA CB C 43 18.500 18.452 0.048 2
1 321 . 1 1 A 43 43 ALA N N 43 123.600 120.969 2.631 2
1 322 . 1 1 A 44 44 LEU H H 44 8.340 8.109 0.231 2
1 323 . 1 1 A 44 44 LEU HA H 44 4.070 3.750 0.320 2
1 333 . 1 1 A 44 44 LEU C C 44 180.000 179.274 0.726 2
1 334 . 1 1 A 44 44 LEU CA C 44 57.500 57.589 -0.089 2
1 335 . 1 1 A 44 44 LEU CB C 44 40.800 41.606 -0.806 2
1 339 . 1 1 A 44 44 LEU N N 44 116.800 118.347 -1.547 2
1 340 . 1 1 A 45 45 LEU H H 45 7.860 8.119 -0.259 2
1 341 . 1 1 A 45 45 LEU HA H 45 4.170 3.929 0.241 2
1 351 . 1 1 A 45 45 LEU C C 45 179.600 178.705 0.895 2
1 352 . 1 1 A 45 45 LEU CA C 45 58.400 58.032 0.368 2
1 353 . 1 1 A 45 45 LEU CB C 45 42.200 41.621 0.579 2
1 357 . 1 1 A 45 45 LEU N N 45 122.600 119.256 3.344 2
1 358 . 1 1 A 46 46 VAL H H 46 8.070 8.326 -0.256 2
1 359 . 1 1 A 46 46 VAL HA H 46 3.610 3.464 0.146 2
1 367 . 1 1 A 46 46 VAL CA C 46 66.800 66.606 0.194 2
1 368 . 1 1 A 46 46 VAL CB C 46 31.600 31.163 0.437 2
1 370 . 1 1 A 46 46 VAL N N 46 120.100 118.974 1.126 2
1 371 . 1 1 A 47 47 GLN H H 47 8.360 8.152 0.208 2
1 372 . 1 1 A 47 47 GLN HA H 47 3.860 3.955 -0.095 2
1 378 . 1 1 A 47 47 GLN C C 47 178.000 178.036 -0.036 2
1 379 . 1 1 A 47 47 GLN CA C 47 60.200 59.237 0.963 2
1 380 . 1 1 A 47 47 GLN CB C 47 27.800 28.264 -0.464 2
1 382 . 1 1 A 47 47 GLN N N 47 120.000 119.476 0.524 2
1 384 . 1 1 A 48 48 GLN H H 48 8.110 8.067 0.043 2
1 385 . 1 1 A 48 48 GLN HA H 48 4.080 4.025 0.055 2
1 392 . 1 1 A 48 48 GLN C C 48 178.500 178.203 0.297 2
1 393 . 1 1 A 48 48 GLN CA C 48 58.900 58.760 0.140 2
1 394 . 1 1 A 48 48 GLN CB C 48 29.400 28.342 1.058 2
1 396 . 1 1 A 48 48 GLN N N 48 117.600 117.342 0.258 2
1 398 . 1 1 A 49 49 LYS H H 49 8.110 7.706 0.404 2
1 399 . 1 1 A 49 49 LYS HA H 49 4.190 4.021 0.169 2
1 405 . 1 1 A 49 49 LYS C C 49 177.800 179.158 -1.358 2
1 406 . 1 1 A 49 49 LYS CA C 49 58.600 59.183 -0.583 2
1 407 . 1 1 A 49 49 LYS CB C 49 33.000 32.159 0.841 2
1 411 . 1 1 A 49 49 LYS N N 49 118.100 119.507 -1.407 2
1 412 . 1 1 A 50 50 ALA H H 50 8.240 8.163 0.077 2
1 413 . 1 1 A 50 50 ALA HA H 50 4.460 4.310 0.150 2
1 417 . 1 1 A 50 50 ALA C C 50 176.700 177.077 -0.377 2
1 418 . 1 1 A 50 50 ALA CA C 50 52.700 52.592 0.108 2
1 419 . 1 1 A 50 50 ALA CB C 50 21.100 19.383 1.717 2
1 420 . 1 1 A 50 50 ALA N N 50 119.000 119.162 -0.162 2
1 421 . 1 1 A 51 51 LYS H H 51 8.000 7.867 0.133 2
1 422 . 1 1 A 51 51 LYS HA H 51 4.030 3.902 0.128 2
1 429 . 1 1 A 51 51 LYS C C 51 175.800 175.220 0.580 2
1 430 . 1 1 A 51 51 LYS CA C 51 57.500 57.247 0.253 2
1 431 . 1 1 A 51 51 LYS CB C 51 29.500 30.536 -1.036 2
1 435 . 1 1 A 51 51 LYS N N 51 114.500 117.055 -2.555 2
1 436 . 1 1 A 52 52 VAL H H 52 7.000 7.415 -0.415 2
1 437 . 1 1 A 52 52 VAL HA H 52 4.570 4.748 -0.178 2
1 445 . 1 1 A 52 52 VAL C C 52 175.000 174.462 0.538 2
1 446 . 1 1 A 52 52 VAL CA C 52 59.600 60.175 -0.575 2
1 447 . 1 1 A 52 52 VAL CB C 52 34.900 34.474 0.425 2
1 450 . 1 1 A 52 52 VAL N N 52 111.600 115.189 -3.589 2
1 451 . 1 1 A 53 53 LYS H H 53 8.150 8.841 -0.691 2
1 452 . 1 1 A 53 53 LYS HA H 53 4.510 4.846 -0.336 2
1 454 . 1 1 A 53 53 LYS C C 53 176.800 175.633 1.167 2
1 455 . 1 1 A 53 53 LYS CA C 53 55.700 55.511 0.189 2
1 456 . 1 1 A 53 53 LYS CB C 53 34.000 34.170 -0.170 2
1 457 . 1 1 A 53 53 LYS N N 53 120.800 124.810 -4.010 2
1 458 . 1 1 A 54 54 ILE H H 54 8.370 8.592 -0.222 2
1 459 . 1 1 A 54 54 ILE HA H 54 4.530 4.735 -0.205 2
1 469 . 1 1 A 54 54 ILE CA C 54 58.700 57.867 0.833 2
1 470 . 1 1 A 54 54 ILE CB C 54 38.400 39.933 -1.533 2
1 474 . 1 1 A 54 54 ILE N N 54 122.500 122.420 0.080 2
1 475 . 1 1 A 57 57 LYS HA H 57 3.780 3.804 -0.024 2
1 484 . 1 1 A 57 57 LYS C C 57 176.300 177.903 -1.603 2
1 485 . 1 1 A 57 57 LYS CA C 57 59.000 58.764 0.236 2
1 486 . 1 1 A 57 57 LYS CB C 57 32.300 31.885 0.415 2
1 490 . 1 1 A 58 58 TRP H H 58 7.250 7.463 -0.213 2
1 491 . 1 1 A 58 58 TRP HA H 58 4.850 4.543 0.307 2
1 500 . 1 1 A 58 58 TRP C C 58 176.800 178.029 -1.229 2
1 501 . 1 1 A 58 58 TRP CA C 58 55.400 58.483 -3.083 2
1 502 . 1 1 A 58 58 TRP CB C 58 31.300 30.934 0.366 2
1 508 . 1 1 A 58 58 TRP N N 58 116.300 117.665 -1.365 2
1 510 . 1 1 A 59 59 LYS H H 59 7.310 8.349 -1.039 2
1 511 . 1 1 A 59 59 LYS HA H 59 3.960 3.744 0.216 2
1 517 . 1 1 A 59 59 LYS CA C 59 60.600 59.560 1.040 2
1 518 . 1 1 A 59 59 LYS CB C 59 33.500 32.106 1.394 2
1 522 . 1 1 A 59 59 LYS N N 59 118.600 120.821 -2.221 2
1 523 . 1 1 A 60 60 ARG HA H 60 4.540 4.359 0.181 2
1 528 . 1 1 A 60 60 ARG C C 60 177.200 177.297 -0.097 2
1 529 . 1 1 A 60 60 ARG CA C 60 55.400 56.472 -1.072 2
1 530 . 1 1 A 60 60 ARG CB C 60 30.400 30.411 -0.011 2
1 533 . 1 1 A 61 61 ARG H H 61 7.620 7.548 0.072 2
1 534 . 1 1 A 61 61 ARG HA H 61 4.250 4.400 -0.150 2
1 537 . 1 1 A 61 61 ARG C C 61 172.300 174.739 -2.439 2
1 538 . 1 1 A 61 61 ARG CA C 61 54.400 55.399 -0.999 2
1 539 . 1 1 A 61 61 ARG CB C 61 27.900 30.282 -2.382 2
1 541 . 1 1 A 61 61 ARG N N 61 116.000 117.256 -1.256 2
1 542 . 1 1 A 62 62 TYR H H 62 6.980 7.640 -0.660 2
1 543 . 1 1 A 62 62 TYR HA H 62 5.860 5.584 0.276 2
1 550 . 1 1 A 62 62 TYR C C 62 173.100 172.618 0.482 2
1 551 . 1 1 A 62 62 TYR CA C 62 55.000 55.920 -0.920 2
1 552 . 1 1 A 62 62 TYR CB C 62 43.000 41.300 1.700 2
1 557 . 1 1 A 62 62 TYR N N 62 112.300 116.287 -3.987 2
1 558 . 1 1 A 63 63 CYS H H 63 9.220 8.570 0.650 2
1 559 . 1 1 A 63 63 CYS HA H 63 4.280 4.537 -0.257 2
1 562 . 1 1 A 63 63 CYS C C 63 178.000 175.681 2.319 2
1 563 . 1 1 A 63 63 CYS CA C 63 59.900 58.487 1.413 2
1 564 . 1 1 A 63 63 CYS CB C 63 32.300 28.848 3.452 2
1 565 . 1 1 A 63 63 CYS N N 63 124.100 120.656 3.444 2
1 566 . 1 1 A 64 64 LYS H H 64 7.820 8.722 -0.902 2
1 567 . 1 1 A 64 64 LYS HA H 64 4.240 3.752 0.488 2
1 571 . 1 1 A 64 64 LYS C C 64 175.400 177.986 -2.586 2
1 572 . 1 1 A 64 64 LYS CA C 64 59.500 59.822 -0.322 2
1 573 . 1 1 A 64 64 LYS CB C 64 33.600 32.221 1.379 2
1 577 . 1 1 A 64 64 LYS N N 64 129.300 126.976 2.324 2
1 578 . 1 1 A 65 65 LYS H H 65 9.270 7.693 1.577 2
1 579 . 1 1 A 65 65 LYS HA H 65 4.250 4.084 0.166 2
1 586 . 1 1 A 65 65 LYS C C 65 176.300 178.705 -2.405 2
1 587 . 1 1 A 65 65 LYS CA C 65 58.500 58.290 0.210 2
1 588 . 1 1 A 65 65 LYS CB C 65 33.700 32.921 0.779 2
1 592 . 1 1 A 65 65 LYS N N 65 122.500 118.660 3.840 2
1 593 . 1 1 A 66 66 CYS H H 66 9.190 7.752 1.438 2
1 594 . 1 1 A 66 66 CYS HA H 66 4.560 4.348 0.212 2
1 597 . 1 1 A 66 66 CYS C C 66 176.200 174.925 1.275 2
1 598 . 1 1 A 66 66 CYS CA C 66 59.700 62.884 -3.184 2
1 599 . 1 1 A 66 66 CYS CB C 66 32.200 27.924 4.276 2
1 600 . 1 1 A 66 66 CYS N N 66 121.200 117.671 3.529 2
1 601 . 1 1 A 67 67 HIS H H 67 7.700 7.760 -0.060 2
1 602 . 1 1 A 67 67 HIS HA H 67 4.850 4.186 0.664 2
1 604 . 1 1 A 67 67 HIS C C 67 171.000 174.024 -3.024 2
1 605 . 1 1 A 67 67 HIS CA C 67 56.200 57.138 -0.938 2
1 606 . 1 1 A 67 67 HIS CB C 67 26.800 26.778 0.022 2
1 607 . 1 1 A 67 67 HIS N N 67 114.200 115.824 -1.624 2
1 608 . 1 1 A 68 68 ALA H H 68 8.720 7.744 0.976 2
1 609 . 1 1 A 68 68 ALA HA H 68 4.230 4.881 -0.651 2
1 613 . 1 1 A 68 68 ALA C C 68 177.800 176.415 1.385 2
1 614 . 1 1 A 68 68 ALA CA C 68 53.800 50.979 2.821 2
1 615 . 1 1 A 68 68 ALA CB C 68 19.800 22.007 -2.207 2
1 616 . 1 1 A 68 68 ALA N N 68 119.600 120.480 -0.880 2
1 617 . 1 1 A 69 69 PHE H H 69 8.500 8.805 -0.305 2
1 618 . 1 1 A 69 69 PHE HA H 69 4.590 5.048 -0.458 2
1 626 . 1 1 A 69 69 PHE C C 69 174.200 174.064 0.136 2
1 627 . 1 1 A 69 69 PHE CA C 69 58.300 59.338 -1.038 2
1 628 . 1 1 A 69 69 PHE CB C 69 40.900 39.013 1.887 2
1 634 . 1 1 A 69 69 PHE N N 69 122.200 121.742 0.458 2
1 635 . 1 1 A 70 70 LEU H H 70 7.550 9.392 -1.842 2
1 636 . 1 1 A 70 70 LEU HA H 70 4.540 5.195 -0.655 2
1 645 . 1 1 A 70 70 LEU C C 70 176.000 175.466 0.534 2
1 646 . 1 1 A 70 70 LEU CA C 70 53.700 53.889 -0.189 2
1 647 . 1 1 A 70 70 LEU CB C 70 43.600 43.569 0.031 2
1 651 . 1 1 A 70 70 LEU N N 70 124.700 129.167 -4.467 2
1 652 . 1 1 A 71 71 VAL H H 71 9.700 8.776 0.924 2
1 653 . 1 1 A 71 71 VAL HA H 71 4.140 4.627 -0.487 2
1 661 . 1 1 A 71 71 VAL CA C 71 59.600 59.191 0.409 2
1 662 . 1 1 A 71 71 VAL CB C 71 34.000 35.844 -1.844 2
1 665 . 1 1 A 71 71 VAL N N 71 125.800 126.771 -0.971 2
1 666 . 1 1 A 72 72 PRO HA H 72 4.170 4.434 -0.264 2
1 673 . 1 1 A 72 72 PRO C C 72 176.200 177.347 -1.147 2
1 674 . 1 1 A 72 72 PRO CA C 72 64.100 63.692 0.408 2
1 675 . 1 1 A 72 72 PRO CB C 72 32.200 31.631 0.569 2
1 678 . 1 1 A 73 73 GLY H H 73 8.500 9.393 -0.893 2
1 679 . 1 1 A 73 73 GLY HA2 H 73 3.860 3.852 0.008 2
1 680 . 1 1 A 73 73 GLY HA3 H 73 4.550 3.863 0.687 2
1 681 . 1 1 A 73 73 GLY CA C 73 45.700 45.379 0.321 2
1 682 . 1 1 A 73 73 GLY N N 73 112.200 111.136 1.064 2
1 683 . 1 1 A 74 74 ILE H H 74 8.360 7.439 0.921 2
1 684 . 1 1 A 74 74 ILE HA H 74 4.580 4.119 0.461 2
1 694 . 1 1 A 74 74 ILE C C 74 175.700 177.449 -1.749 2
1 695 . 1 1 A 74 74 ILE CA C 74 62.700 62.877 -0.177 2
1 696 . 1 1 A 74 74 ILE CB C 74 38.400 38.479 -0.079 2
1 700 . 1 1 A 74 74 ILE N N 74 120.200 120.151 0.049 2
1 701 . 1 1 A 75 75 ASN H H 75 8.470 8.228 0.242 2
1 702 . 1 1 A 75 75 ASN HA H 75 4.970 4.816 0.154 2
1 706 . 1 1 A 75 75 ASN C C 75 172.900 174.572 -1.672 2
1 707 . 1 1 A 75 75 ASN CA C 75 52.600 52.806 -0.206 2
1 708 . 1 1 A 75 75 ASN CB C 75 38.600 38.563 0.037 2
1 709 . 1 1 A 75 75 ASN N N 75 116.400 115.497 0.903 2
1 711 . 1 1 A 76 76 ALA H H 76 7.250 7.676 -0.426 2
1 712 . 1 1 A 76 76 ALA HA H 76 5.510 5.263 0.247 2
1 716 . 1 1 A 76 76 ALA C C 76 176.200 175.040 1.160 2
1 717 . 1 1 A 76 76 ALA CA C 76 50.400 51.525 -1.125 2
1 718 . 1 1 A 76 76 ALA CB C 76 23.200 23.001 0.199 2
1 719 . 1 1 A 76 76 ALA N N 76 117.400 119.754 -2.354 2
1 720 . 1 1 A 77 77 ARG H H 77 8.850 8.942 -0.092 2
1 721 . 1 1 A 77 77 ARG HA H 77 4.950 5.169 -0.219 2
1 728 . 1 1 A 77 77 ARG CA C 77 54.800 54.546 0.254 2
1 729 . 1 1 A 77 77 ARG CB C 77 33.700 34.081 -0.381 2
1 732 . 1 1 A 77 77 ARG N N 77 123.000 122.102 0.898 2
1 733 . 1 1 A 78 78 VAL H H 78 8.920 9.003 -0.083 2
1 734 . 1 1 A 78 78 VAL HA H 78 4.730 5.347 -0.617 2
1 742 . 1 1 A 78 78 VAL CA C 78 61.400 59.637 1.763 2
1 743 . 1 1 A 78 78 VAL CB C 78 34.400 34.637 -0.237 2
1 746 . 1 1 A 78 78 VAL N N 78 127.400 124.647 2.753 2
1 747 . 1 1 A 79 79 ARG H H 79 9.000 8.888 0.112 2
1 748 . 1 1 A 79 79 ARG HA H 79 4.750 4.956 -0.206 2
1 754 . 1 1 A 79 79 ARG CA C 79 54.400 54.816 -0.416 2
1 755 . 1 1 A 79 79 ARG CB C 79 34.300 32.878 1.422 2
1 758 . 1 1 A 79 79 ARG N N 79 126.400 128.973 -2.573 2
1 759 . 1 1 A 80 80 LEU H H 80 8.480 9.211 -0.731 2
1 760 . 1 1 A 80 80 LEU HA H 80 4.690 5.032 -0.342 2
1 770 . 1 1 A 80 80 LEU CA C 80 54.600 53.653 0.947 2
1 771 . 1 1 A 80 80 LEU CB C 80 43.500 42.963 0.537 2
1 775 . 1 1 A 80 80 LEU N N 80 124.700 126.853 -2.153 2
1 776 . 1 1 A 81 81 ARG H H 81 8.800 9.081 -0.281 2
1 777 . 1 1 A 81 81 ARG HA H 81 4.540 4.866 -0.326 2
1 781 . 1 1 A 81 81 ARG CA C 81 54.600 54.580 0.020 2
1 782 . 1 1 A 81 81 ARG CB C 81 31.600 32.988 -1.388 2
1 785 . 1 1 A 81 81 ARG N N 81 126.100 124.488 1.612 2
1 786 . 1 1 A 86 86 PRO HA H 86 4.700 4.821 -0.121 2
1 792 . 1 1 A 86 86 PRO C C 86 176.400 175.883 0.517 2
1 793 . 1 1 A 86 86 PRO CA C 86 64.000 62.800 1.200 2
1 794 . 1 1 A 86 86 PRO CB C 86 32.600 32.552 0.048 2
1 796 . 1 1 A 87 87 HIS H H 87 8.560 8.310 0.250 2
1 797 . 1 1 A 87 87 HIS HA H 87 5.140 5.105 0.035 2
1 800 . 1 1 A 87 87 HIS C C 87 172.600 173.731 -1.131 2
1 801 . 1 1 A 87 87 HIS CA C 87 56.000 55.115 0.885 2
1 802 . 1 1 A 87 87 HIS CB C 87 32.400 33.437 -1.037 2
1 803 . 1 1 A 87 87 HIS N N 87 118.700 120.975 -2.275 2
1 804 . 1 1 A 88 88 ILE H H 88 9.250 8.738 0.512 2
1 805 . 1 1 A 88 88 ILE HA H 88 4.710 5.158 -0.448 2
1 815 . 1 1 A 88 88 ILE CA C 88 60.200 59.144 1.056 2
1 816 . 1 1 A 88 88 ILE CB C 88 40.600 41.802 -1.202 2
1 820 . 1 1 A 88 88 ILE N N 88 120.600 118.958 1.642 2
1 821 . 1 1 A 89 89 VAL H H 89 9.050 9.025 0.025 2
1 822 . 1 1 A 89 89 VAL HA H 89 4.800 5.137 -0.337 2
1 830 . 1 1 A 89 89 VAL C C 89 175.000 174.641 0.359 2
1 831 . 1 1 A 89 89 VAL CA C 89 61.400 60.066 1.334 2
1 832 . 1 1 A 89 89 VAL CB C 89 34.400 34.325 0.075 2
1 835 . 1 1 A 90 90 VAL H H 90 9.340 9.691 -0.351 2
1 836 . 1 1 A 90 90 VAL HA H 90 5.160 5.272 -0.112 2
1 844 . 1 1 A 90 90 VAL C C 90 173.600 175.153 -1.553 2
1 845 . 1 1 A 90 90 VAL CA C 90 61.400 60.828 0.572 2
1 846 . 1 1 A 90 90 VAL CB C 90 34.100 34.501 -0.401 2
1 849 . 1 1 A 90 90 VAL N N 90 128.000 125.438 2.562 2
1 850 . 1 1 A 91 91 LYS H H 91 9.030 9.043 -0.013 2
1 851 . 1 1 A 91 91 LYS HA H 91 5.160 5.352 -0.192 2
1 858 . 1 1 A 91 91 LYS C C 91 175.300 174.895 0.405 2
1 859 . 1 1 A 91 91 LYS CA C 91 54.100 54.574 -0.474 2
1 860 . 1 1 A 91 91 LYS CB C 91 36.600 35.656 0.944 2
1 864 . 1 1 A 91 91 LYS N N 91 128.100 124.690 3.410 2
1 865 . 1 1 A 92 92 CYS H H 92 9.050 8.576 0.474 2
1 866 . 1 1 A 92 92 CYS HA H 92 4.950 5.151 -0.201 2
1 869 . 1 1 A 92 92 CYS C C 92 177.300 175.334 1.966 2
1 870 . 1 1 A 92 92 CYS CA C 92 59.600 57.270 2.330 2
1 871 . 1 1 A 92 92 CYS CB C 92 32.600 29.935 2.665 2
1 872 . 1 1 A 92 92 CYS N N 92 129.900 121.493 8.407 2
1 873 . 1 1 A 93 93 LEU H H 93 8.910 9.443 -0.533 2
1 874 . 1 1 A 93 93 LEU HA H 93 4.480 3.943 0.537 2
1 884 . 1 1 A 93 93 LEU C C 93 178.100 178.384 -0.284 2
1 885 . 1 1 A 93 93 LEU CA C 93 55.300 58.211 -2.911 2
1 886 . 1 1 A 93 93 LEU CB C 93 40.500 41.550 -1.050 2
1 890 . 1 1 A 93 93 LEU N N 93 127.300 127.697 -0.397 2
1 891 . 1 1 A 94 94 GLU H H 94 9.460 8.265 1.195 2
1 892 . 1 1 A 94 94 GLU HA H 94 4.420 4.024 0.396 2
1 897 . 1 1 A 94 94 GLU C C 94 178.400 179.154 -0.754 2
1 898 . 1 1 A 94 94 GLU CA C 94 59.700 59.456 0.244 2
1 899 . 1 1 A 94 94 GLU CB C 94 29.900 29.385 0.515 2
1 901 . 1 1 A 94 94 GLU N N 94 122.900 118.367 4.533 2
1 902 . 1 1 A 95 95 CYS H H 95 9.110 7.667 1.443 2
1 903 . 1 1 A 95 95 CYS HA H 95 5.140 4.463 0.677 2
1 906 . 1 1 A 95 95 CYS C C 95 176.900 175.624 1.276 2
1 907 . 1 1 A 95 95 CYS CA C 95 58.900 59.772 -0.872 2
1 908 . 1 1 A 95 95 CYS CB C 95 33.600 28.408 5.192 2
1 909 . 1 1 A 95 95 CYS N N 95 119.200 115.635 3.565 2
1 910 . 1 1 A 96 96 GLY H H 96 8.000 8.885 -0.885 2
1 911 . 1 1 A 96 96 GLY HA2 H 96 3.850 3.704 0.146 2
1 912 . 1 1 A 96 96 GLY C C 96 174.100 173.487 0.613 2
1 913 . 1 1 A 96 96 GLY CA C 96 46.500 45.669 0.832 2
1 914 . 1 1 A 96 96 GLY N N 96 115.300 110.332 4.968 2
1 915 . 1 1 A 97 97 HIS H H 97 9.310 7.489 1.821 2
1 916 . 1 1 A 97 97 HIS HA H 97 4.500 5.014 -0.514 2
1 919 . 1 1 A 97 97 HIS C C 97 173.200 173.359 -0.159 2
1 920 . 1 1 A 97 97 HIS CA C 97 58.600 54.810 3.790 2
1 921 . 1 1 A 97 97 HIS CB C 97 33.000 33.431 -0.431 2
1 922 . 1 1 A 97 97 HIS N N 97 125.300 117.158 8.142 2
1 923 . 1 1 A 98 98 ILE H H 98 6.890 8.837 -1.947 2
1 924 . 1 1 A 98 98 ILE HA H 98 4.760 4.904 -0.144 2
1 934 . 1 1 A 98 98 ILE C C 98 175.000 174.024 0.976 2
1 935 . 1 1 A 98 98 ILE CA C 98 60.000 60.094 -0.094 2
1 936 . 1 1 A 98 98 ILE CB C 98 40.200 40.562 -0.362 2
1 940 . 1 1 A 98 98 ILE N N 98 123.600 123.175 0.425 2
1 941 . 1 1 A 99 99 MET H H 99 9.050 9.786 -0.736 2
1 942 . 1 1 A 99 99 MET HA H 99 4.630 5.289 -0.659 2
1 950 . 1 1 A 99 99 MET C C 99 173.100 174.655 -1.555 2
1 951 . 1 1 A 99 99 MET CA C 99 54.400 54.013 0.387 2
1 952 . 1 1 A 99 99 MET CB C 99 37.900 35.652 2.248 2
1 955 . 1 1 A 99 99 MET N N 99 126.400 128.087 -1.687 2
1 956 . 1 1 A 100 100 ARG H H 100 7.930 8.869 -0.939 2
1 957 . 1 1 A 100 100 ARG HA H 100 5.370 4.887 0.483 2
1 963 . 1 1 A 100 100 ARG C C 100 175.200 174.640 0.560 2
1 964 . 1 1 A 100 100 ARG CA C 100 54.700 55.006 -0.306 2
1 965 . 1 1 A 100 100 ARG CB C 100 33.600 32.752 0.847 2
1 968 . 1 1 A 100 100 ARG N N 100 120.200 123.714 -3.514 2
1 969 . 1 1 A 101 101 TYR H H 101 9.110 8.954 0.156 2
1 970 . 1 1 A 101 101 TYR HA H 101 5.130 5.152 -0.022 2
1 977 . 1 1 A 101 101 TYR CA C 101 55.300 55.166 0.134 2
1 978 . 1 1 A 101 101 TYR CB C 101 40.900 39.765 1.135 2
1 983 . 1 1 A 101 101 TYR N N 101 121.100 124.171 -3.071 2
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