data_11058_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11058
_Entry.PDB_ID 1GEA
_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 25
_Entity_delta_chem_shifts.Best_conformer 12
_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 6 . 1 1 1 A 2 2 SER C C 2 173.000 172.620 0.380 1
1 7 . 1 1 1 A 2 2 SER CA C 2 56.000 57.628 -1.628 1
1 8 . 1 1 1 A 2 2 SER CB C 2 66.000 67.662 -1.662 1
1 9 . 1 1 1 A 2 2 SER N N 2 112.000 121.537 -9.537 1
1 10 . 1 1 1 A 3 3 ASP C C 3 174.000 176.179 -2.179 1
1 11 . 1 1 1 A 3 3 ASP CA C 3 53.000 52.991 0.009 1
1 12 . 1 1 1 A 3 3 ASP CB C 3 45.000 41.101 3.899 1
1 14 . 1 1 1 A 4 4 GLY C C 4 171.000 175.400 -4.400 1
1 15 . 1 1 1 A 4 4 GLY CA C 4 45.000 47.332 -2.332 1
1 16 . 1 1 1 A 4 4 GLY N N 4 108.000 114.729 -6.729 1
1 17 . 1 1 1 A 5 5 ILE C C 5 174.000 175.716 -1.716 1
1 18 . 1 1 1 A 5 5 ILE CA C 5 59.000 62.973 -3.973 1
1 19 . 1 1 1 A 5 5 ILE CB C 5 42.000 37.913 4.087 1
1 23 . 1 1 1 A 5 5 ILE N N 5 120.000 126.263 -6.263 1
1 24 . 1 1 1 A 6 6 PHE C C 6 174.000 174.670 -0.670 1
1 25 . 1 1 1 A 6 6 PHE CA C 6 56.000 56.043 -0.043 1
1 26 . 1 1 1 A 6 6 PHE CB C 6 44.000 37.663 6.337 1
1 31 . 1 1 1 A 6 6 PHE N N 6 126.000 118.433 7.567 1
1 32 . 1 1 1 A 7 7 THR C C 7 174.000 173.432 0.568 1
1 33 . 1 1 1 A 7 7 THR CA C 7 59.600 60.302 -0.702 1
1 34 . 1 1 1 A 7 7 THR CB C 7 71.000 70.031 0.969 1
1 36 . 1 1 1 A 8 8 ASP C C 8 174.000 177.883 -3.883 1
1 37 . 1 1 1 A 8 8 ASP CA C 8 53.000 56.200 -3.200 1
1 38 . 1 1 1 A 8 8 ASP CB C 8 45.000 41.668 3.332 1
1 40 . 1 1 1 A 8 8 ASP N N 8 122.000 125.065 -3.065 1
1 41 . 1 1 1 A 9 9 SER C C 9 173.000 176.291 -3.291 1
1 42 . 1 1 1 A 9 9 SER CA C 9 56.000 61.795 -5.795 1
1 43 . 1 1 1 A 9 9 SER CB C 9 66.000 62.824 3.176 1
1 44 . 1 1 1 A 9 9 SER N N 9 112.000 114.205 -2.205 1
1 45 . 1 1 1 A 10 10 TYR C C 10 174.000 177.466 -3.466 1
1 46 . 1 1 1 A 10 10 TYR CA C 10 55.000 61.867 -6.867 1
1 47 . 1 1 1 A 10 10 TYR CB C 10 44.000 38.170 5.830 1
1 54 . 1 1 1 A 11 11 SER C C 11 173.000 176.203 -3.203 1
1 55 . 1 1 1 A 11 11 SER CA C 11 56.000 60.908 -4.908 1
1 56 . 1 1 1 A 11 11 SER CB C 11 66.000 62.648 3.352 1
1 57 . 1 1 1 A 11 11 SER N N 11 112.000 114.695 -2.695 1
1 58 . 1 1 1 A 12 12 ARG C C 12 174.000 178.076 -4.076 1
1 59 . 1 1 1 A 12 12 ARG CA C 12 54.000 58.146 -4.146 1
1 60 . 1 1 1 A 12 12 ARG CB C 12 34.000 30.099 3.901 1
1 65 . 1 1 1 A 13 13 TYR C C 13 174.000 177.682 -3.682 1
1 66 . 1 1 1 A 13 13 TYR CA C 13 55.000 61.134 -6.134 1
1 67 . 1 1 1 A 13 13 TYR CB C 13 44.000 38.358 5.642 1
1 74 . 1 1 1 A 14 14 ARG C C 14 174.000 178.353 -4.353 1
1 75 . 1 1 1 A 14 14 ARG CA C 14 54.000 59.028 -5.028 1
1 76 . 1 1 1 A 14 14 ARG CB C 14 35.000 29.820 5.180 1
1 81 . 1 1 1 A 15 15 LYS C C 15 174.000 179.576 -5.576 1
1 82 . 1 1 1 A 15 15 LYS CA C 15 54.000 59.889 -5.889 1
1 83 . 1 1 1 A 15 15 LYS CB C 15 36.000 32.074 3.926 1
1 88 . 1 1 1 A 16 16 GLN C C 16 174.000 179.071 -5.071 1
1 89 . 1 1 1 A 16 16 GLN CA C 16 54.000 59.201 -5.201 1
1 90 . 1 1 1 A 16 16 GLN CB C 16 30.000 28.226 1.774 1
1 93 . 1 1 1 A 17 17 MET C C 17 174.000 178.772 -4.772 1
1 94 . 1 1 1 A 17 17 MET CA C 17 54.000 58.083 -4.083 1
1 95 . 1 1 1 A 17 17 MET CB C 17 35.000 32.597 2.403 1
1 96 . 1 1 1 A 18 18 ALA C C 18 175.000 180.075 -5.075 1
1 97 . 1 1 1 A 18 18 ALA CA C 18 51.000 55.145 -4.145 1
1 98 . 1 1 1 A 18 18 ALA CB C 18 23.000 18.545 4.455 1
1 99 . 1 1 1 A 19 19 VAL C C 19 174.000 178.112 -4.112 1
1 100 . 1 1 1 A 19 19 VAL CA C 19 60.400 67.032 -6.632 1
1 101 . 1 1 1 A 19 19 VAL CB C 19 35.000 31.647 3.353 1
1 104 . 1 1 1 A 19 19 VAL N N 19 122.000 118.290 3.710 1
1 6 . 2 1 1 A 2 2 SER C C 2 173.000 172.179 0.821 1
1 7 . 2 1 1 A 2 2 SER CA C 2 56.000 57.424 -1.424 1
1 8 . 2 1 1 A 2 2 SER CB C 2 66.000 66.323 -0.323 1
1 9 . 2 1 1 A 2 2 SER N N 2 112.000 120.493 -8.493 1
1 10 . 2 1 1 A 3 3 ASP C C 3 174.000 176.208 -2.208 1
1 11 . 2 1 1 A 3 3 ASP CA C 3 53.000 52.901 0.099 1
1 12 . 2 1 1 A 3 3 ASP CB C 3 45.000 41.197 3.803 1
1 14 . 2 1 1 A 4 4 GLY C C 4 171.000 175.300 -4.300 1
1 15 . 2 1 1 A 4 4 GLY CA C 4 45.000 47.220 -2.220 1
1 16 . 2 1 1 A 4 4 GLY N N 4 108.000 114.390 -6.390 1
1 17 . 2 1 1 A 5 5 ILE C C 5 174.000 176.166 -2.166 1
1 18 . 2 1 1 A 5 5 ILE CA C 5 59.000 62.859 -3.859 1
1 19 . 2 1 1 A 5 5 ILE CB C 5 42.000 37.860 4.140 1
1 23 . 2 1 1 A 5 5 ILE N N 5 120.000 126.151 -6.151 1
1 24 . 2 1 1 A 6 6 PHE C C 6 174.000 174.719 -0.719 1
1 25 . 2 1 1 A 6 6 PHE CA C 6 56.000 56.023 -0.023 1
1 26 . 2 1 1 A 6 6 PHE CB C 6 44.000 37.770 6.230 1
1 31 . 2 1 1 A 6 6 PHE N N 6 126.000 118.703 7.297 1
1 32 . 2 1 1 A 7 7 THR C C 7 174.000 173.452 0.548 1
1 33 . 2 1 1 A 7 7 THR CA C 7 59.600 60.276 -0.676 1
1 34 . 2 1 1 A 7 7 THR CB C 7 71.000 70.109 0.891 1
1 36 . 2 1 1 A 8 8 ASP C C 8 174.000 178.120 -4.120 1
1 37 . 2 1 1 A 8 8 ASP CA C 8 53.000 56.206 -3.206 1
1 38 . 2 1 1 A 8 8 ASP CB C 8 45.000 41.574 3.426 1
1 40 . 2 1 1 A 8 8 ASP N N 8 122.000 125.314 -3.314 1
1 41 . 2 1 1 A 9 9 SER C C 9 173.000 176.279 -3.279 1
1 42 . 2 1 1 A 9 9 SER CA C 9 56.000 61.674 -5.674 1
1 43 . 2 1 1 A 9 9 SER CB C 9 66.000 62.588 3.412 1
1 44 . 2 1 1 A 9 9 SER N N 9 112.000 114.213 -2.213 1
1 45 . 2 1 1 A 10 10 TYR C C 10 174.000 177.597 -3.597 1
1 46 . 2 1 1 A 10 10 TYR CA C 10 55.000 61.865 -6.865 1
1 47 . 2 1 1 A 10 10 TYR CB C 10 44.000 38.136 5.864 1
1 54 . 2 1 1 A 11 11 SER C C 11 173.000 176.175 -3.175 1
1 55 . 2 1 1 A 11 11 SER CA C 11 56.000 61.046 -5.046 1
1 56 . 2 1 1 A 11 11 SER CB C 11 66.000 62.689 3.311 1
1 57 . 2 1 1 A 11 11 SER N N 11 112.000 114.846 -2.846 1
1 58 . 2 1 1 A 12 12 ARG C C 12 174.000 176.656 -2.656 1
1 59 . 2 1 1 A 12 12 ARG CA C 12 54.000 58.118 -4.118 1
1 60 . 2 1 1 A 12 12 ARG CB C 12 34.000 29.602 4.398 1
1 65 . 2 1 1 A 13 13 TYR C C 13 174.000 177.775 -3.775 1
1 66 . 2 1 1 A 13 13 TYR CA C 13 55.000 59.586 -4.586 1
1 67 . 2 1 1 A 13 13 TYR CB C 13 44.000 39.119 4.881 1
1 74 . 2 1 1 A 14 14 ARG C C 14 174.000 178.279 -4.279 1
1 75 . 2 1 1 A 14 14 ARG CA C 14 54.000 57.875 -3.875 1
1 76 . 2 1 1 A 14 14 ARG CB C 14 35.000 31.187 3.813 1
1 81 . 2 1 1 A 15 15 LYS C C 15 174.000 179.552 -5.552 1
1 82 . 2 1 1 A 15 15 LYS CA C 15 54.000 59.912 -5.912 1
1 83 . 2 1 1 A 15 15 LYS CB C 15 36.000 32.226 3.774 1
1 88 . 2 1 1 A 16 16 GLN C C 16 174.000 178.775 -4.775 1
1 89 . 2 1 1 A 16 16 GLN CA C 16 54.000 59.284 -5.284 1
1 90 . 2 1 1 A 16 16 GLN CB C 16 30.000 28.044 1.956 1
1 93 . 2 1 1 A 17 17 MET C C 17 174.000 178.714 -4.714 1
1 94 . 2 1 1 A 17 17 MET CA C 17 54.000 58.080 -4.080 1
1 95 . 2 1 1 A 17 17 MET CB C 17 35.000 32.321 2.679 1
1 96 . 2 1 1 A 18 18 ALA C C 18 175.000 179.948 -4.948 1
1 97 . 2 1 1 A 18 18 ALA CA C 18 51.000 55.258 -4.258 1
1 98 . 2 1 1 A 18 18 ALA CB C 18 23.000 18.523 4.477 1
1 99 . 2 1 1 A 19 19 VAL C C 19 174.000 177.962 -3.962 1
1 100 . 2 1 1 A 19 19 VAL CA C 19 60.400 67.128 -6.728 1
1 101 . 2 1 1 A 19 19 VAL CB C 19 35.000 31.582 3.418 1
1 104 . 2 1 1 A 19 19 VAL N N 19 122.000 118.252 3.748 1
1 6 . 3 1 1 A 2 2 SER C C 2 173.000 172.611 0.389 1
1 7 . 3 1 1 A 2 2 SER CA C 2 56.000 57.610 -1.610 1
1 8 . 3 1 1 A 2 2 SER CB C 2 66.000 67.636 -1.636 1
1 9 . 3 1 1 A 2 2 SER N N 2 112.000 122.009 -10.009 1
1 10 . 3 1 1 A 3 3 ASP C C 3 174.000 176.140 -2.140 1
1 11 . 3 1 1 A 3 3 ASP CA C 3 53.000 52.940 0.060 1
1 12 . 3 1 1 A 3 3 ASP CB C 3 45.000 41.066 3.934 1
1 14 . 3 1 1 A 4 4 GLY C C 4 171.000 175.273 -4.273 1
1 15 . 3 1 1 A 4 4 GLY CA C 4 45.000 47.221 -2.221 1
1 16 . 3 1 1 A 4 4 GLY N N 4 108.000 114.651 -6.651 1
1 17 . 3 1 1 A 5 5 ILE C C 5 174.000 175.954 -1.954 1
1 18 . 3 1 1 A 5 5 ILE CA C 5 59.000 63.005 -4.005 1
1 19 . 3 1 1 A 5 5 ILE CB C 5 42.000 37.916 4.084 1
1 23 . 3 1 1 A 5 5 ILE N N 5 120.000 126.167 -6.167 1
1 24 . 3 1 1 A 6 6 PHE C C 6 174.000 174.571 -0.571 1
1 25 . 3 1 1 A 6 6 PHE CA C 6 56.000 56.045 -0.045 1
1 26 . 3 1 1 A 6 6 PHE CB C 6 44.000 37.814 6.186 1
1 31 . 3 1 1 A 6 6 PHE N N 6 126.000 118.090 7.910 1
1 32 . 3 1 1 A 7 7 THR C C 7 174.000 173.408 0.592 1
1 33 . 3 1 1 A 7 7 THR CA C 7 59.600 60.294 -0.694 1
1 34 . 3 1 1 A 7 7 THR CB C 7 71.000 69.935 1.065 1
1 36 . 3 1 1 A 8 8 ASP C C 8 174.000 177.864 -3.864 1
1 37 . 3 1 1 A 8 8 ASP CA C 8 53.000 56.170 -3.170 1
1 38 . 3 1 1 A 8 8 ASP CB C 8 45.000 41.798 3.202 1
1 40 . 3 1 1 A 8 8 ASP N N 8 122.000 125.509 -3.509 1
1 41 . 3 1 1 A 9 9 SER C C 9 173.000 176.277 -3.277 1
1 42 . 3 1 1 A 9 9 SER CA C 9 56.000 61.645 -5.645 1
1 43 . 3 1 1 A 9 9 SER CB C 9 66.000 62.443 3.557 1
1 44 . 3 1 1 A 9 9 SER N N 9 112.000 114.385 -2.385 1
1 45 . 3 1 1 A 10 10 TYR C C 10 174.000 177.465 -3.465 1
1 46 . 3 1 1 A 10 10 TYR CA C 10 55.000 61.824 -6.824 1
1 47 . 3 1 1 A 10 10 TYR CB C 10 44.000 38.117 5.883 1
1 54 . 3 1 1 A 11 11 SER C C 11 173.000 176.210 -3.210 1
1 55 . 3 1 1 A 11 11 SER CA C 11 56.000 61.018 -5.018 1
1 56 . 3 1 1 A 11 11 SER CB C 11 66.000 62.684 3.316 1
1 57 . 3 1 1 A 11 11 SER N N 11 112.000 114.832 -2.832 1
1 58 . 3 1 1 A 12 12 ARG C C 12 174.000 176.794 -2.794 1
1 59 . 3 1 1 A 12 12 ARG CA C 12 54.000 58.033 -4.033 1
1 60 . 3 1 1 A 12 12 ARG CB C 12 34.000 29.517 4.483 1
1 65 . 3 1 1 A 13 13 TYR C C 13 174.000 177.801 -3.801 1
1 66 . 3 1 1 A 13 13 TYR CA C 13 55.000 59.453 -4.453 1
1 67 . 3 1 1 A 13 13 TYR CB C 13 44.000 39.044 4.956 1
1 74 . 3 1 1 A 14 14 ARG C C 14 174.000 178.294 -4.294 1
1 75 . 3 1 1 A 14 14 ARG CA C 14 54.000 57.790 -3.790 1
1 76 . 3 1 1 A 14 14 ARG CB C 14 35.000 31.252 3.748 1
1 81 . 3 1 1 A 15 15 LYS C C 15 174.000 179.494 -5.494 1
1 82 . 3 1 1 A 15 15 LYS CA C 15 54.000 59.900 -5.900 1
1 83 . 3 1 1 A 15 15 LYS CB C 15 36.000 32.150 3.850 1
1 88 . 3 1 1 A 16 16 GLN C C 16 174.000 178.761 -4.761 1
1 89 . 3 1 1 A 16 16 GLN CA C 16 54.000 59.142 -5.142 1
1 90 . 3 1 1 A 16 16 GLN CB C 16 30.000 28.099 1.901 1
1 93 . 3 1 1 A 17 17 MET C C 17 174.000 178.711 -4.711 1
1 94 . 3 1 1 A 17 17 MET CA C 17 54.000 57.961 -3.961 1
1 95 . 3 1 1 A 17 17 MET CB C 17 35.000 32.331 2.669 1
1 96 . 3 1 1 A 18 18 ALA C C 18 175.000 180.042 -5.042 1
1 97 . 3 1 1 A 18 18 ALA CA C 18 51.000 55.267 -4.267 1
1 98 . 3 1 1 A 18 18 ALA CB C 18 23.000 18.538 4.462 1
1 99 . 3 1 1 A 19 19 VAL C C 19 174.000 178.013 -4.013 1
1 100 . 3 1 1 A 19 19 VAL CA C 19 60.400 67.009 -6.609 1
1 101 . 3 1 1 A 19 19 VAL CB C 19 35.000 31.571 3.429 1
1 104 . 3 1 1 A 19 19 VAL N N 19 122.000 118.235 3.765 1
1 6 . 4 1 1 A 2 2 SER C C 2 173.000 172.442 0.558 1
1 7 . 4 1 1 A 2 2 SER CA C 2 56.000 60.138 -4.138 1
1 8 . 4 1 1 A 2 2 SER CB C 2 66.000 62.130 3.870 1
1 9 . 4 1 1 A 2 2 SER N N 2 112.000 113.182 -1.182 1
1 10 . 4 1 1 A 3 3 ASP C C 3 174.000 175.928 -1.928 1
1 11 . 4 1 1 A 3 3 ASP CA C 3 53.000 53.279 -0.279 1
1 12 . 4 1 1 A 3 3 ASP CB C 3 45.000 40.953 4.047 1
1 14 . 4 1 1 A 4 4 GLY C C 4 171.000 175.256 -4.256 1
1 15 . 4 1 1 A 4 4 GLY CA C 4 45.000 47.229 -2.229 1
1 16 . 4 1 1 A 4 4 GLY N N 4 108.000 114.849 -6.849 1
1 17 . 4 1 1 A 5 5 ILE C C 5 174.000 175.478 -1.478 1
1 18 . 4 1 1 A 5 5 ILE CA C 5 59.000 63.073 -4.073 1
1 19 . 4 1 1 A 5 5 ILE CB C 5 42.000 38.084 3.916 1
1 23 . 4 1 1 A 5 5 ILE N N 5 120.000 126.162 -6.162 1
1 24 . 4 1 1 A 6 6 PHE C C 6 174.000 174.781 -0.781 1
1 25 . 4 1 1 A 6 6 PHE CA C 6 56.000 55.943 0.057 1
1 26 . 4 1 1 A 6 6 PHE CB C 6 44.000 37.176 6.824 1
1 31 . 4 1 1 A 6 6 PHE N N 6 126.000 119.122 6.878 1
1 32 . 4 1 1 A 7 7 THR C C 7 174.000 173.325 0.675 1
1 33 . 4 1 1 A 7 7 THR CA C 7 59.600 60.348 -0.748 1
1 34 . 4 1 1 A 7 7 THR CB C 7 71.000 69.912 1.088 1
1 36 . 4 1 1 A 8 8 ASP C C 8 174.000 177.832 -3.832 1
1 37 . 4 1 1 A 8 8 ASP CA C 8 53.000 56.048 -3.048 1
1 38 . 4 1 1 A 8 8 ASP CB C 8 45.000 41.738 3.262 1
1 40 . 4 1 1 A 8 8 ASP N N 8 122.000 125.950 -3.950 1
1 41 . 4 1 1 A 9 9 SER C C 9 173.000 176.237 -3.237 1
1 42 . 4 1 1 A 9 9 SER CA C 9 56.000 61.646 -5.646 1
1 43 . 4 1 1 A 9 9 SER CB C 9 66.000 62.456 3.544 1
1 44 . 4 1 1 A 9 9 SER N N 9 112.000 113.928 -1.928 1
1 45 . 4 1 1 A 10 10 TYR C C 10 174.000 177.534 -3.534 1
1 46 . 4 1 1 A 10 10 TYR CA C 10 55.000 61.917 -6.917 1
1 47 . 4 1 1 A 10 10 TYR CB C 10 44.000 38.161 5.839 1
1 54 . 4 1 1 A 11 11 SER C C 11 173.000 176.290 -3.290 1
1 55 . 4 1 1 A 11 11 SER CA C 11 56.000 61.042 -5.042 1
1 56 . 4 1 1 A 11 11 SER CB C 11 66.000 62.681 3.319 1
1 57 . 4 1 1 A 11 11 SER N N 11 112.000 114.591 -2.591 1
1 58 . 4 1 1 A 12 12 ARG C C 12 174.000 176.689 -2.689 1
1 59 . 4 1 1 A 12 12 ARG CA C 12 54.000 57.998 -3.998 1
1 60 . 4 1 1 A 12 12 ARG CB C 12 34.000 29.462 4.538 1
1 65 . 4 1 1 A 13 13 TYR C C 13 174.000 177.616 -3.616 1
1 66 . 4 1 1 A 13 13 TYR CA C 13 55.000 59.493 -4.493 1
1 67 . 4 1 1 A 13 13 TYR CB C 13 44.000 39.036 4.964 1
1 74 . 4 1 1 A 14 14 ARG C C 14 174.000 178.224 -4.224 1
1 75 . 4 1 1 A 14 14 ARG CA C 14 54.000 57.225 -3.225 1
1 76 . 4 1 1 A 14 14 ARG CB C 14 35.000 31.700 3.300 1
1 81 . 4 1 1 A 15 15 LYS C C 15 174.000 179.680 -5.680 1
1 82 . 4 1 1 A 15 15 LYS CA C 15 54.000 59.740 -5.740 1
1 83 . 4 1 1 A 15 15 LYS CB C 15 36.000 32.221 3.779 1
1 88 . 4 1 1 A 16 16 GLN C C 16 174.000 178.765 -4.765 1
1 89 . 4 1 1 A 16 16 GLN CA C 16 54.000 59.268 -5.268 1
1 90 . 4 1 1 A 16 16 GLN CB C 16 30.000 28.117 1.883 1
1 93 . 4 1 1 A 17 17 MET C C 17 174.000 178.722 -4.722 1
1 94 . 4 1 1 A 17 17 MET CA C 17 54.000 58.200 -4.200 1
1 95 . 4 1 1 A 17 17 MET CB C 17 35.000 32.340 2.660 1
1 96 . 4 1 1 A 18 18 ALA C C 18 175.000 180.046 -5.046 1
1 97 . 4 1 1 A 18 18 ALA CA C 18 51.000 55.224 -4.224 1
1 98 . 4 1 1 A 18 18 ALA CB C 18 23.000 18.508 4.492 1
1 99 . 4 1 1 A 19 19 VAL C C 19 174.000 177.956 -3.956 1
1 100 . 4 1 1 A 19 19 VAL CA C 19 60.400 67.012 -6.612 1
1 101 . 4 1 1 A 19 19 VAL CB C 19 35.000 31.576 3.424 1
1 104 . 4 1 1 A 19 19 VAL N N 19 122.000 118.247 3.753 1
1 6 . 5 1 1 A 2 2 SER C C 2 173.000 172.535 0.465 1
1 7 . 5 1 1 A 2 2 SER CA C 2 56.000 57.254 -1.254 1
1 8 . 5 1 1 A 2 2 SER CB C 2 66.000 66.207 -0.207 1
1 9 . 5 1 1 A 2 2 SER N N 2 112.000 115.364 -3.364 1
1 10 . 5 1 1 A 3 3 ASP C C 3 174.000 176.209 -2.209 1
1 11 . 5 1 1 A 3 3 ASP CA C 3 53.000 52.993 0.007 1
1 12 . 5 1 1 A 3 3 ASP CB C 3 45.000 41.195 3.805 1
1 14 . 5 1 1 A 4 4 GLY C C 4 171.000 175.385 -4.385 1
1 15 . 5 1 1 A 4 4 GLY CA C 4 45.000 47.340 -2.340 1
1 16 . 5 1 1 A 4 4 GLY N N 4 108.000 114.724 -6.724 1
1 17 . 5 1 1 A 5 5 ILE C C 5 174.000 175.554 -1.554 1
1 18 . 5 1 1 A 5 5 ILE CA C 5 59.000 63.157 -4.157 1
1 19 . 5 1 1 A 5 5 ILE CB C 5 42.000 38.020 3.980 1
1 23 . 5 1 1 A 5 5 ILE N N 5 120.000 126.134 -6.134 1
1 24 . 5 1 1 A 6 6 PHE C C 6 174.000 174.654 -0.654 1
1 25 . 5 1 1 A 6 6 PHE CA C 6 56.000 55.849 0.151 1
1 26 . 5 1 1 A 6 6 PHE CB C 6 44.000 37.400 6.600 1
1 31 . 5 1 1 A 6 6 PHE N N 6 126.000 118.754 7.246 1
1 32 . 5 1 1 A 7 7 THR C C 7 174.000 173.344 0.656 1
1 33 . 5 1 1 A 7 7 THR CA C 7 59.600 60.358 -0.758 1
1 34 . 5 1 1 A 7 7 THR CB C 7 71.000 69.916 1.084 1
1 36 . 5 1 1 A 8 8 ASP C C 8 174.000 177.967 -3.967 1
1 37 . 5 1 1 A 8 8 ASP CA C 8 53.000 56.064 -3.064 1
1 38 . 5 1 1 A 8 8 ASP CB C 8 45.000 41.744 3.256 1
1 40 . 5 1 1 A 8 8 ASP N N 8 122.000 125.951 -3.951 1
1 41 . 5 1 1 A 9 9 SER C C 9 173.000 176.374 -3.374 1
1 42 . 5 1 1 A 9 9 SER CA C 9 56.000 62.337 -6.337 1
1 43 . 5 1 1 A 9 9 SER CB C 9 66.000 62.876 3.124 1
1 44 . 5 1 1 A 9 9 SER N N 9 112.000 115.137 -3.137 1
1 45 . 5 1 1 A 10 10 TYR C C 10 174.000 177.405 -3.405 1
1 46 . 5 1 1 A 10 10 TYR CA C 10 55.000 61.849 -6.849 1
1 47 . 5 1 1 A 10 10 TYR CB C 10 44.000 38.174 5.826 1
1 54 . 5 1 1 A 11 11 SER C C 11 173.000 176.079 -3.079 1
1 55 . 5 1 1 A 11 11 SER CA C 11 56.000 60.564 -4.564 1
1 56 . 5 1 1 A 11 11 SER CB C 11 66.000 62.696 3.304 1
1 57 . 5 1 1 A 11 11 SER N N 11 112.000 114.385 -2.385 1
1 58 . 5 1 1 A 12 12 ARG C C 12 174.000 178.028 -4.028 1
1 59 . 5 1 1 A 12 12 ARG CA C 12 54.000 57.956 -3.956 1
1 60 . 5 1 1 A 12 12 ARG CB C 12 34.000 30.109 3.891 1
1 65 . 5 1 1 A 13 13 TYR C C 13 174.000 177.779 -3.779 1
1 66 . 5 1 1 A 13 13 TYR CA C 13 55.000 61.228 -6.228 1
1 67 . 5 1 1 A 13 13 TYR CB C 13 44.000 38.497 5.503 1
1 74 . 5 1 1 A 14 14 ARG C C 14 174.000 178.076 -4.076 1
1 75 . 5 1 1 A 14 14 ARG CA C 14 54.000 58.875 -4.875 1
1 76 . 5 1 1 A 14 14 ARG CB C 14 35.000 29.488 5.512 1
1 81 . 5 1 1 A 15 15 LYS C C 15 174.000 179.497 -5.497 1
1 82 . 5 1 1 A 15 15 LYS CA C 15 54.000 59.790 -5.790 1
1 83 . 5 1 1 A 15 15 LYS CB C 15 36.000 32.044 3.956 1
1 88 . 5 1 1 A 16 16 GLN C C 16 174.000 178.887 -4.887 1
1 89 . 5 1 1 A 16 16 GLN CA C 16 54.000 59.154 -5.154 1
1 90 . 5 1 1 A 16 16 GLN CB C 16 30.000 28.304 1.696 1
1 93 . 5 1 1 A 17 17 MET C C 17 174.000 178.775 -4.775 1
1 94 . 5 1 1 A 17 17 MET CA C 17 54.000 58.073 -4.073 1
1 95 . 5 1 1 A 17 17 MET CB C 17 35.000 32.462 2.538 1
1 96 . 5 1 1 A 18 18 ALA C C 18 175.000 180.066 -5.066 1
1 97 . 5 1 1 A 18 18 ALA CA C 18 51.000 55.136 -4.136 1
1 98 . 5 1 1 A 18 18 ALA CB C 18 23.000 18.537 4.463 1
1 99 . 5 1 1 A 19 19 VAL C C 19 174.000 178.087 -4.087 1
1 100 . 5 1 1 A 19 19 VAL CA C 19 60.400 67.023 -6.623 1
1 101 . 5 1 1 A 19 19 VAL CB C 19 35.000 31.576 3.424 1
1 104 . 5 1 1 A 19 19 VAL N N 19 122.000 118.273 3.727 1
1 6 . 6 1 1 A 2 2 SER C C 2 173.000 172.377 0.623 1
1 7 . 6 1 1 A 2 2 SER CA C 2 56.000 59.471 -3.471 1
1 8 . 6 1 1 A 2 2 SER CB C 2 66.000 61.751 4.249 1
1 9 . 6 1 1 A 2 2 SER N N 2 112.000 114.354 -2.354 1
1 10 . 6 1 1 A 3 3 ASP C C 3 174.000 176.126 -2.126 1
1 11 . 6 1 1 A 3 3 ASP CA C 3 53.000 52.534 0.466 1
1 12 . 6 1 1 A 3 3 ASP CB C 3 45.000 41.367 3.633 1
1 14 . 6 1 1 A 4 4 GLY C C 4 171.000 175.293 -4.293 1
1 15 . 6 1 1 A 4 4 GLY CA C 4 45.000 47.200 -2.200 1
1 16 . 6 1 1 A 4 4 GLY N N 4 108.000 113.370 -5.370 1
1 17 . 6 1 1 A 5 5 ILE C C 5 174.000 175.373 -1.373 1
1 18 . 6 1 1 A 5 5 ILE CA C 5 59.000 63.180 -4.180 1
1 19 . 6 1 1 A 5 5 ILE CB C 5 42.000 38.006 3.994 1
1 23 . 6 1 1 A 5 5 ILE N N 5 120.000 126.122 -6.122 1
1 24 . 6 1 1 A 6 6 PHE C C 6 174.000 174.770 -0.770 1
1 25 . 6 1 1 A 6 6 PHE CA C 6 56.000 56.003 -0.003 1
1 26 . 6 1 1 A 6 6 PHE CB C 6 44.000 37.190 6.810 1
1 31 . 6 1 1 A 6 6 PHE N N 6 126.000 119.107 6.893 1
1 32 . 6 1 1 A 7 7 THR C C 7 174.000 173.248 0.752 1
1 33 . 6 1 1 A 7 7 THR CA C 7 59.600 60.367 -0.767 1
1 34 . 6 1 1 A 7 7 THR CB C 7 71.000 69.983 1.017 1
1 36 . 6 1 1 A 8 8 ASP C C 8 174.000 177.759 -3.759 1
1 37 . 6 1 1 A 8 8 ASP CA C 8 53.000 56.054 -3.054 1
1 38 . 6 1 1 A 8 8 ASP CB C 8 45.000 41.750 3.250 1
1 40 . 6 1 1 A 8 8 ASP N N 8 122.000 125.174 -3.174 1
1 41 . 6 1 1 A 9 9 SER C C 9 173.000 176.243 -3.243 1
1 42 . 6 1 1 A 9 9 SER CA C 9 56.000 61.645 -5.645 1
1 43 . 6 1 1 A 9 9 SER CB C 9 66.000 62.488 3.512 1
1 44 . 6 1 1 A 9 9 SER N N 9 112.000 114.449 -2.449 1
1 45 . 6 1 1 A 10 10 TYR C C 10 174.000 177.602 -3.602 1
1 46 . 6 1 1 A 10 10 TYR CA C 10 55.000 61.899 -6.899 1
1 47 . 6 1 1 A 10 10 TYR CB C 10 44.000 38.109 5.891 1
1 54 . 6 1 1 A 11 11 SER C C 11 173.000 176.204 -3.204 1
1 55 . 6 1 1 A 11 11 SER CA C 11 56.000 61.028 -5.028 1
1 56 . 6 1 1 A 11 11 SER CB C 11 66.000 62.691 3.309 1
1 57 . 6 1 1 A 11 11 SER N N 11 112.000 114.845 -2.845 1
1 58 . 6 1 1 A 12 12 ARG C C 12 174.000 176.804 -2.804 1
1 59 . 6 1 1 A 12 12 ARG CA C 12 54.000 58.033 -4.033 1
1 60 . 6 1 1 A 12 12 ARG CB C 12 34.000 29.475 4.525 1
1 65 . 6 1 1 A 13 13 TYR C C 13 174.000 177.913 -3.913 1
1 66 . 6 1 1 A 13 13 TYR CA C 13 55.000 59.480 -4.480 1
1 67 . 6 1 1 A 13 13 TYR CB C 13 44.000 38.887 5.113 1
1 74 . 6 1 1 A 14 14 ARG C C 14 174.000 178.173 -4.173 1
1 75 . 6 1 1 A 14 14 ARG CA C 14 54.000 58.315 -4.315 1
1 76 . 6 1 1 A 14 14 ARG CB C 14 35.000 30.549 4.451 1
1 81 . 6 1 1 A 15 15 LYS C C 15 174.000 179.525 -5.525 1
1 82 . 6 1 1 A 15 15 LYS CA C 15 54.000 59.946 -5.946 1
1 83 . 6 1 1 A 15 15 LYS CB C 15 36.000 32.192 3.808 1
1 88 . 6 1 1 A 16 16 GLN C C 16 174.000 178.794 -4.794 1
1 89 . 6 1 1 A 16 16 GLN CA C 16 54.000 59.267 -5.267 1
1 90 . 6 1 1 A 16 16 GLN CB C 16 30.000 28.173 1.827 1
1 93 . 6 1 1 A 17 17 MET C C 17 174.000 178.709 -4.709 1
1 94 . 6 1 1 A 17 17 MET CA C 17 54.000 58.185 -4.185 1
1 95 . 6 1 1 A 17 17 MET CB C 17 35.000 32.299 2.701 1
1 96 . 6 1 1 A 18 18 ALA C C 18 175.000 179.948 -4.948 1
1 97 . 6 1 1 A 18 18 ALA CA C 18 51.000 55.235 -4.235 1
1 98 . 6 1 1 A 18 18 ALA CB C 18 23.000 18.502 4.498 1
1 99 . 6 1 1 A 19 19 VAL C C 19 174.000 177.970 -3.970 1
1 100 . 6 1 1 A 19 19 VAL CA C 19 60.400 67.062 -6.662 1
1 101 . 6 1 1 A 19 19 VAL CB C 19 35.000 31.604 3.396 1
1 104 . 6 1 1 A 19 19 VAL N N 19 122.000 118.249 3.751 1
1 6 . 7 1 1 A 2 2 SER C C 2 173.000 172.299 0.701 1
1 7 . 7 1 1 A 2 2 SER CA C 2 56.000 57.443 -1.443 1
1 8 . 7 1 1 A 2 2 SER CB C 2 66.000 66.428 -0.428 1
1 9 . 7 1 1 A 2 2 SER N N 2 112.000 120.054 -8.054 1
1 10 . 7 1 1 A 3 3 ASP C C 3 174.000 176.106 -2.106 1
1 11 . 7 1 1 A 3 3 ASP CA C 3 53.000 53.072 -0.072 1
1 12 . 7 1 1 A 3 3 ASP CB C 3 45.000 41.055 3.945 1
1 14 . 7 1 1 A 4 4 GLY C C 4 171.000 175.262 -4.262 1
1 15 . 7 1 1 A 4 4 GLY CA C 4 45.000 47.219 -2.219 1
1 16 . 7 1 1 A 4 4 GLY N N 4 108.000 114.696 -6.696 1
1 17 . 7 1 1 A 5 5 ILE C C 5 174.000 175.272 -1.272 1
1 18 . 7 1 1 A 5 5 ILE CA C 5 59.000 63.024 -4.024 1
1 19 . 7 1 1 A 5 5 ILE CB C 5 42.000 37.939 4.061 1
1 23 . 7 1 1 A 5 5 ILE N N 5 120.000 126.175 -6.175 1
1 24 . 7 1 1 A 6 6 PHE C C 6 174.000 174.805 -0.805 1
1 25 . 7 1 1 A 6 6 PHE CA C 6 56.000 55.956 0.044 1
1 26 . 7 1 1 A 6 6 PHE CB C 6 44.000 37.169 6.831 1
1 31 . 7 1 1 A 6 6 PHE N N 6 126.000 119.140 6.860 1
1 32 . 7 1 1 A 7 7 THR C C 7 174.000 172.613 1.387 1
1 33 . 7 1 1 A 7 7 THR CA C 7 59.600 60.345 -0.745 1
1 34 . 7 1 1 A 7 7 THR CB C 7 71.000 69.926 1.074 1
1 36 . 7 1 1 A 8 8 ASP C C 8 174.000 178.454 -4.454 1
1 37 . 7 1 1 A 8 8 ASP CA C 8 53.000 56.202 -3.202 1
1 38 . 7 1 1 A 8 8 ASP CB C 8 45.000 41.798 3.202 1
1 40 . 7 1 1 A 8 8 ASP N N 8 122.000 122.828 -0.828 1
1 41 . 7 1 1 A 9 9 SER C C 9 173.000 176.188 -3.188 1
1 42 . 7 1 1 A 9 9 SER CA C 9 56.000 61.704 -5.704 1
1 43 . 7 1 1 A 9 9 SER CB C 9 66.000 62.454 3.546 1
1 44 . 7 1 1 A 9 9 SER N N 9 112.000 113.734 -1.734 1
1 45 . 7 1 1 A 10 10 TYR C C 10 174.000 177.489 -3.489 1
1 46 . 7 1 1 A 10 10 TYR CA C 10 55.000 61.809 -6.809 1
1 47 . 7 1 1 A 10 10 TYR CB C 10 44.000 38.142 5.858 1
1 54 . 7 1 1 A 11 11 SER C C 11 173.000 176.291 -3.291 1
1 55 . 7 1 1 A 11 11 SER CA C 11 56.000 61.025 -5.025 1
1 56 . 7 1 1 A 11 11 SER CB C 11 66.000 62.694 3.306 1
1 57 . 7 1 1 A 11 11 SER N N 11 112.000 114.852 -2.852 1
1 58 . 7 1 1 A 12 12 ARG C C 12 174.000 176.645 -2.645 1
1 59 . 7 1 1 A 12 12 ARG CA C 12 54.000 58.131 -4.131 1
1 60 . 7 1 1 A 12 12 ARG CB C 12 34.000 29.618 4.382 1
1 65 . 7 1 1 A 13 13 TYR C C 13 174.000 177.636 -3.636 1
1 66 . 7 1 1 A 13 13 TYR CA C 13 55.000 59.608 -4.608 1
1 67 . 7 1 1 A 13 13 TYR CB C 13 44.000 38.846 5.154 1
1 74 . 7 1 1 A 14 14 ARG C C 14 174.000 178.112 -4.112 1
1 75 . 7 1 1 A 14 14 ARG CA C 14 54.000 56.976 -2.976 1
1 76 . 7 1 1 A 14 14 ARG CB C 14 35.000 31.606 3.394 1
1 81 . 7 1 1 A 15 15 LYS C C 15 174.000 178.153 -4.153 1
1 82 . 7 1 1 A 15 15 LYS CA C 15 54.000 59.499 -5.499 1
1 83 . 7 1 1 A 15 15 LYS CB C 15 36.000 32.207 3.793 1
1 88 . 7 1 1 A 16 16 GLN C C 16 174.000 178.096 -4.096 1
1 89 . 7 1 1 A 16 16 GLN CA C 16 54.000 58.426 -4.426 1
1 90 . 7 1 1 A 16 16 GLN CB C 16 30.000 28.672 1.328 1
1 93 . 7 1 1 A 17 17 MET C C 17 174.000 178.709 -4.709 1
1 94 . 7 1 1 A 17 17 MET CA C 17 54.000 58.179 -4.179 1
1 95 . 7 1 1 A 17 17 MET CB C 17 35.000 32.161 2.839 1
1 96 . 7 1 1 A 18 18 ALA C C 18 175.000 179.943 -4.943 1
1 97 . 7 1 1 A 18 18 ALA CA C 18 51.000 55.261 -4.261 1
1 98 . 7 1 1 A 18 18 ALA CB C 18 23.000 18.431 4.569 1
1 99 . 7 1 1 A 19 19 VAL C C 19 174.000 177.951 -3.951 1
1 100 . 7 1 1 A 19 19 VAL CA C 19 60.400 67.116 -6.716 1
1 101 . 7 1 1 A 19 19 VAL CB C 19 35.000 31.577 3.423 1
1 104 . 7 1 1 A 19 19 VAL N N 19 122.000 118.262 3.738 1
1 6 . 8 1 1 A 2 2 SER C C 2 173.000 172.462 0.538 1
1 7 . 8 1 1 A 2 2 SER CA C 2 56.000 60.176 -4.176 1
1 8 . 8 1 1 A 2 2 SER CB C 2 66.000 62.095 3.905 1
1 9 . 8 1 1 A 2 2 SER N N 2 112.000 113.121 -1.121 1
1 10 . 8 1 1 A 3 3 ASP C C 3 174.000 176.058 -2.058 1
1 11 . 8 1 1 A 3 3 ASP CA C 3 53.000 53.237 -0.237 1
1 12 . 8 1 1 A 3 3 ASP CB C 3 45.000 40.966 4.034 1
1 14 . 8 1 1 A 4 4 GLY C C 4 171.000 175.372 -4.372 1
1 15 . 8 1 1 A 4 4 GLY CA C 4 45.000 47.340 -2.340 1
1 16 . 8 1 1 A 4 4 GLY N N 4 108.000 114.818 -6.818 1
1 17 . 8 1 1 A 5 5 ILE C C 5 174.000 175.971 -1.971 1
1 18 . 8 1 1 A 5 5 ILE CA C 5 59.000 63.068 -4.068 1
1 19 . 8 1 1 A 5 5 ILE CB C 5 42.000 37.968 4.032 1
1 23 . 8 1 1 A 5 5 ILE N N 5 120.000 126.238 -6.238 1
1 24 . 8 1 1 A 6 6 PHE C C 6 174.000 174.636 -0.636 1
1 25 . 8 1 1 A 6 6 PHE CA C 6 56.000 56.056 -0.056 1
1 26 . 8 1 1 A 6 6 PHE CB C 6 44.000 37.830 6.170 1
1 31 . 8 1 1 A 6 6 PHE N N 6 126.000 118.116 7.884 1
1 32 . 8 1 1 A 7 7 THR C C 7 174.000 173.412 0.588 1
1 33 . 8 1 1 A 7 7 THR CA C 7 59.600 60.291 -0.691 1
1 34 . 8 1 1 A 7 7 THR CB C 7 71.000 70.138 0.862 1
1 36 . 8 1 1 A 8 8 ASP C C 8 174.000 177.805 -3.805 1
1 37 . 8 1 1 A 8 8 ASP CA C 8 53.000 56.184 -3.184 1
1 38 . 8 1 1 A 8 8 ASP CB C 8 45.000 41.647 3.353 1
1 40 . 8 1 1 A 8 8 ASP N N 8 122.000 125.042 -3.042 1
1 41 . 8 1 1 A 9 9 SER C C 9 173.000 176.501 -3.501 1
1 42 . 8 1 1 A 9 9 SER CA C 9 56.000 61.991 -5.991 1
1 43 . 8 1 1 A 9 9 SER CB C 9 66.000 62.865 3.135 1
1 44 . 8 1 1 A 9 9 SER N N 9 112.000 114.647 -2.647 1
1 45 . 8 1 1 A 10 10 TYR C C 10 174.000 177.456 -3.456 1
1 46 . 8 1 1 A 10 10 TYR CA C 10 55.000 61.791 -6.791 1
1 47 . 8 1 1 A 10 10 TYR CB C 10 44.000 38.191 5.809 1
1 54 . 8 1 1 A 11 11 SER C C 11 173.000 175.894 -2.894 1
1 55 . 8 1 1 A 11 11 SER CA C 11 56.000 60.541 -4.541 1
1 56 . 8 1 1 A 11 11 SER CB C 11 66.000 62.657 3.343 1
1 57 . 8 1 1 A 11 11 SER N N 11 112.000 114.443 -2.443 1
1 58 . 8 1 1 A 12 12 ARG C C 12 174.000 177.883 -3.883 1
1 59 . 8 1 1 A 12 12 ARG CA C 12 54.000 58.023 -4.023 1
1 60 . 8 1 1 A 12 12 ARG CB C 12 34.000 30.324 3.676 1
1 65 . 8 1 1 A 13 13 TYR C C 13 174.000 177.603 -3.603 1
1 66 . 8 1 1 A 13 13 TYR CA C 13 55.000 61.277 -6.277 1
1 67 . 8 1 1 A 13 13 TYR CB C 13 44.000 38.295 5.705 1
1 74 . 8 1 1 A 14 14 ARG C C 14 174.000 178.318 -4.318 1
1 75 . 8 1 1 A 14 14 ARG CA C 14 54.000 58.967 -4.967 1
1 76 . 8 1 1 A 14 14 ARG CB C 14 35.000 29.856 5.144 1
1 81 . 8 1 1 A 15 15 LYS C C 15 174.000 179.423 -5.423 1
1 82 . 8 1 1 A 15 15 LYS CA C 15 54.000 59.769 -5.769 1
1 83 . 8 1 1 A 15 15 LYS CB C 15 36.000 32.025 3.975 1
1 88 . 8 1 1 A 16 16 GLN C C 16 174.000 178.715 -4.715 1
1 89 . 8 1 1 A 16 16 GLN CA C 16 54.000 59.333 -5.333 1
1 90 . 8 1 1 A 16 16 GLN CB C 16 30.000 28.133 1.867 1
1 93 . 8 1 1 A 17 17 MET C C 17 174.000 178.783 -4.783 1
1 94 . 8 1 1 A 17 17 MET CA C 17 54.000 58.322 -4.322 1
1 95 . 8 1 1 A 17 17 MET CB C 17 35.000 32.438 2.562 1
1 96 . 8 1 1 A 18 18 ALA C C 18 175.000 180.072 -5.072 1
1 97 . 8 1 1 A 18 18 ALA CA C 18 51.000 55.252 -4.252 1
1 98 . 8 1 1 A 18 18 ALA CB C 18 23.000 18.521 4.479 1
1 99 . 8 1 1 A 19 19 VAL C C 19 174.000 177.947 -3.947 1
1 100 . 8 1 1 A 19 19 VAL CA C 19 60.400 67.034 -6.634 1
1 101 . 8 1 1 A 19 19 VAL CB C 19 35.000 31.601 3.399 1
1 104 . 8 1 1 A 19 19 VAL N N 19 122.000 118.275 3.725 1
1 6 . 9 1 1 A 2 2 SER C C 2 173.000 172.387 0.613 1
1 7 . 9 1 1 A 2 2 SER CA C 2 56.000 57.487 -1.487 1
1 8 . 9 1 1 A 2 2 SER CB C 2 66.000 67.703 -1.703 1
1 9 . 9 1 1 A 2 2 SER N N 2 112.000 119.880 -7.880 1
1 10 . 9 1 1 A 3 3 ASP C C 3 174.000 176.019 -2.019 1
1 11 . 9 1 1 A 3 3 ASP CA C 3 53.000 53.158 -0.158 1
1 12 . 9 1 1 A 3 3 ASP CB C 3 45.000 40.998 4.002 1
1 14 . 9 1 1 A 4 4 GLY C C 4 171.000 175.239 -4.239 1
1 15 . 9 1 1 A 4 4 GLY CA C 4 45.000 47.222 -2.222 1
1 16 . 9 1 1 A 4 4 GLY N N 4 108.000 114.724 -6.724 1
1 17 . 9 1 1 A 5 5 ILE C C 5 174.000 175.381 -1.381 1
1 18 . 9 1 1 A 5 5 ILE CA C 5 59.000 63.160 -4.160 1
1 19 . 9 1 1 A 5 5 ILE CB C 5 42.000 37.971 4.029 1
1 23 . 9 1 1 A 5 5 ILE N N 5 120.000 125.998 -5.998 1
1 24 . 9 1 1 A 6 6 PHE C C 6 174.000 174.719 -0.719 1
1 25 . 9 1 1 A 6 6 PHE CA C 6 56.000 55.925 0.075 1
1 26 . 9 1 1 A 6 6 PHE CB C 6 44.000 37.090 6.910 1
1 31 . 9 1 1 A 6 6 PHE N N 6 126.000 119.037 6.963 1
1 32 . 9 1 1 A 7 7 THR C C 7 174.000 173.321 0.679 1
1 33 . 9 1 1 A 7 7 THR CA C 7 59.600 60.322 -0.722 1
1 34 . 9 1 1 A 7 7 THR CB C 7 71.000 69.904 1.096 1
1 36 . 9 1 1 A 8 8 ASP C C 8 174.000 177.722 -3.722 1
1 37 . 9 1 1 A 8 8 ASP CA C 8 53.000 56.012 -3.012 1
1 38 . 9 1 1 A 8 8 ASP CB C 8 45.000 41.749 3.251 1
1 40 . 9 1 1 A 8 8 ASP N N 8 122.000 125.559 -3.559 1
1 41 . 9 1 1 A 9 9 SER C C 9 173.000 176.170 -3.170 1
1 42 . 9 1 1 A 9 9 SER CA C 9 56.000 61.463 -5.463 1
1 43 . 9 1 1 A 9 9 SER CB C 9 66.000 62.532 3.468 1
1 44 . 9 1 1 A 9 9 SER N N 9 112.000 114.279 -2.279 1
1 45 . 9 1 1 A 10 10 TYR C C 10 174.000 178.061 -4.061 1
1 46 . 9 1 1 A 10 10 TYR CA C 10 55.000 61.798 -6.798 1
1 47 . 9 1 1 A 10 10 TYR CB C 10 44.000 38.003 5.997 1
1 54 . 9 1 1 A 11 11 SER C C 11 173.000 176.350 -3.350 1
1 55 . 9 1 1 A 11 11 SER CA C 11 56.000 61.175 -5.175 1
1 56 . 9 1 1 A 11 11 SER CB C 11 66.000 62.802 3.198 1
1 57 . 9 1 1 A 11 11 SER N N 11 112.000 114.880 -2.880 1
1 58 . 9 1 1 A 12 12 ARG C C 12 174.000 176.698 -2.698 1
1 59 . 9 1 1 A 12 12 ARG CA C 12 54.000 58.141 -4.141 1
1 60 . 9 1 1 A 12 12 ARG CB C 12 34.000 29.902 4.098 1
1 65 . 9 1 1 A 13 13 TYR C C 13 174.000 176.969 -2.969 1
1 66 . 9 1 1 A 13 13 TYR CA C 13 55.000 59.812 -4.812 1
1 67 . 9 1 1 A 13 13 TYR CB C 13 44.000 38.453 5.547 1
1 74 . 9 1 1 A 14 14 ARG C C 14 174.000 178.235 -4.235 1
1 75 . 9 1 1 A 14 14 ARG CA C 14 54.000 57.245 -3.245 1
1 76 . 9 1 1 A 14 14 ARG CB C 14 35.000 31.110 3.890 1
1 81 . 9 1 1 A 15 15 LYS C C 15 174.000 178.471 -4.471 1
1 82 . 9 1 1 A 15 15 LYS CA C 15 54.000 59.865 -5.865 1
1 83 . 9 1 1 A 15 15 LYS CB C 15 36.000 32.068 3.932 1
1 88 . 9 1 1 A 16 16 GLN C C 16 174.000 177.976 -3.976 1
1 89 . 9 1 1 A 16 16 GLN CA C 16 54.000 58.146 -4.146 1
1 90 . 9 1 1 A 16 16 GLN CB C 16 30.000 28.392 1.608 1
1 93 . 9 1 1 A 17 17 MET C C 17 174.000 177.934 -3.934 1
1 94 . 9 1 1 A 17 17 MET CA C 17 54.000 58.517 -4.517 1
1 95 . 9 1 1 A 17 17 MET CB C 17 35.000 32.193 2.807 1
1 96 . 9 1 1 A 18 18 ALA C C 18 175.000 179.940 -4.940 1
1 97 . 9 1 1 A 18 18 ALA CA C 18 51.000 55.145 -4.145 1
1 98 . 9 1 1 A 18 18 ALA CB C 18 23.000 18.507 4.493 1
1 99 . 9 1 1 A 19 19 VAL C C 19 174.000 177.907 -3.907 1
1 100 . 9 1 1 A 19 19 VAL CA C 19 60.400 67.112 -6.712 1
1 101 . 9 1 1 A 19 19 VAL CB C 19 35.000 31.567 3.433 1
1 104 . 9 1 1 A 19 19 VAL N N 19 122.000 118.336 3.664 1
1 6 . 10 1 1 A 2 2 SER C C 2 173.000 173.504 -0.504 1
1 7 . 10 1 1 A 2 2 SER CA C 2 56.000 57.565 -1.565 1
1 8 . 10 1 1 A 2 2 SER CB C 2 66.000 64.498 1.502 1
1 9 . 10 1 1 A 2 2 SER N N 2 112.000 114.953 -2.953 1
1 10 . 10 1 1 A 3 3 ASP C C 3 174.000 175.959 -1.959 1
1 11 . 10 1 1 A 3 3 ASP CA C 3 53.000 53.144 -0.144 1
1 12 . 10 1 1 A 3 3 ASP CB C 3 45.000 41.488 3.512 1
1 14 . 10 1 1 A 4 4 GLY C C 4 171.000 175.271 -4.271 1
1 15 . 10 1 1 A 4 4 GLY CA C 4 45.000 47.250 -2.250 1
1 16 . 10 1 1 A 4 4 GLY N N 4 108.000 110.462 -2.462 1
1 17 . 10 1 1 A 5 5 ILE C C 5 174.000 175.872 -1.872 1
1 18 . 10 1 1 A 5 5 ILE CA C 5 59.000 62.872 -3.872 1
1 19 . 10 1 1 A 5 5 ILE CB C 5 42.000 37.913 4.087 1
1 23 . 10 1 1 A 5 5 ILE N N 5 120.000 125.818 -5.818 1
1 24 . 10 1 1 A 6 6 PHE C C 6 174.000 174.601 -0.601 1
1 25 . 10 1 1 A 6 6 PHE CA C 6 56.000 55.998 0.002 1
1 26 . 10 1 1 A 6 6 PHE CB C 6 44.000 37.748 6.252 1
1 31 . 10 1 1 A 6 6 PHE N N 6 126.000 118.450 7.550 1
1 32 . 10 1 1 A 7 7 THR C C 7 174.000 173.362 0.638 1
1 33 . 10 1 1 A 7 7 THR CA C 7 59.600 60.388 -0.788 1
1 34 . 10 1 1 A 7 7 THR CB C 7 71.000 69.899 1.101 1
1 36 . 10 1 1 A 8 8 ASP C C 8 174.000 177.787 -3.787 1
1 37 . 10 1 1 A 8 8 ASP CA C 8 53.000 56.058 -3.058 1
1 38 . 10 1 1 A 8 8 ASP CB C 8 45.000 41.750 3.250 1
1 40 . 10 1 1 A 8 8 ASP N N 8 122.000 125.971 -3.971 1
1 41 . 10 1 1 A 9 9 SER C C 9 173.000 176.208 -3.208 1
1 42 . 10 1 1 A 9 9 SER CA C 9 56.000 61.713 -5.713 1
1 43 . 10 1 1 A 9 9 SER CB C 9 66.000 62.639 3.361 1
1 44 . 10 1 1 A 9 9 SER N N 9 112.000 114.430 -2.430 1
1 45 . 10 1 1 A 10 10 TYR C C 10 174.000 177.562 -3.562 1
1 46 . 10 1 1 A 10 10 TYR CA C 10 55.000 61.816 -6.816 1
1 47 . 10 1 1 A 10 10 TYR CB C 10 44.000 38.170 5.830 1
1 54 . 10 1 1 A 11 11 SER C C 11 173.000 176.133 -3.133 1
1 55 . 10 1 1 A 11 11 SER CA C 11 56.000 61.039 -5.039 1
1 56 . 10 1 1 A 11 11 SER CB C 11 66.000 62.667 3.333 1
1 57 . 10 1 1 A 11 11 SER N N 11 112.000 114.333 -2.333 1
1 58 . 10 1 1 A 12 12 ARG C C 12 174.000 176.919 -2.919 1
1 59 . 10 1 1 A 12 12 ARG CA C 12 54.000 58.062 -4.062 1
1 60 . 10 1 1 A 12 12 ARG CB C 12 34.000 29.576 4.424 1
1 65 . 10 1 1 A 13 13 TYR C C 13 174.000 177.995 -3.995 1
1 66 . 10 1 1 A 13 13 TYR CA C 13 55.000 59.604 -4.604 1
1 67 . 10 1 1 A 13 13 TYR CB C 13 44.000 38.229 5.771 1
1 74 . 10 1 1 A 14 14 ARG C C 14 174.000 178.300 -4.300 1
1 75 . 10 1 1 A 14 14 ARG CA C 14 54.000 58.373 -4.373 1
1 76 . 10 1 1 A 14 14 ARG CB C 14 35.000 30.502 4.498 1
1 81 . 10 1 1 A 15 15 LYS C C 15 174.000 179.655 -5.655 1
1 82 . 10 1 1 A 15 15 LYS CA C 15 54.000 59.710 -5.710 1
1 83 . 10 1 1 A 15 15 LYS CB C 15 36.000 32.240 3.760 1
1 88 . 10 1 1 A 16 16 GLN C C 16 174.000 178.800 -4.800 1
1 89 . 10 1 1 A 16 16 GLN CA C 16 54.000 59.191 -5.191 1
1 90 . 10 1 1 A 16 16 GLN CB C 16 30.000 28.115 1.885 1
1 93 . 10 1 1 A 17 17 MET C C 17 174.000 178.719 -4.719 1
1 94 . 10 1 1 A 17 17 MET CA C 17 54.000 57.982 -3.982 1
1 95 . 10 1 1 A 17 17 MET CB C 17 35.000 32.355 2.645 1
1 96 . 10 1 1 A 18 18 ALA C C 18 175.000 180.044 -5.044 1
1 97 . 10 1 1 A 18 18 ALA CA C 18 51.000 55.097 -4.097 1
1 98 . 10 1 1 A 18 18 ALA CB C 18 23.000 18.527 4.473 1
1 99 . 10 1 1 A 19 19 VAL C C 19 174.000 178.014 -4.014 1
1 100 . 10 1 1 A 19 19 VAL CA C 19 60.400 67.008 -6.608 1
1 101 . 10 1 1 A 19 19 VAL CB C 19 35.000 31.570 3.430 1
1 104 . 10 1 1 A 19 19 VAL N N 19 122.000 118.249 3.751 1
1 6 . 11 1 1 A 2 2 SER C C 2 173.000 172.711 0.289 1
1 7 . 11 1 1 A 2 2 SER CA C 2 56.000 57.631 -1.631 1
1 8 . 11 1 1 A 2 2 SER CB C 2 66.000 67.618 -1.618 1
1 9 . 11 1 1 A 2 2 SER N N 2 112.000 122.484 -10.484 1
1 10 . 11 1 1 A 3 3 ASP C C 3 174.000 176.035 -2.035 1
1 11 . 11 1 1 A 3 3 ASP CA C 3 53.000 53.162 -0.162 1
1 12 . 11 1 1 A 3 3 ASP CB C 3 45.000 41.007 3.993 1
1 14 . 11 1 1 A 4 4 GLY C C 4 171.000 175.256 -4.256 1
1 15 . 11 1 1 A 4 4 GLY CA C 4 45.000 47.221 -2.221 1
1 16 . 11 1 1 A 4 4 GLY N N 4 108.000 114.723 -6.723 1
1 17 . 11 1 1 A 5 5 ILE C C 5 174.000 175.394 -1.394 1
1 18 . 11 1 1 A 5 5 ILE CA C 5 59.000 63.011 -4.011 1
1 19 . 11 1 1 A 5 5 ILE CB C 5 42.000 37.954 4.046 1
1 23 . 11 1 1 A 5 5 ILE N N 5 120.000 126.013 -6.013 1
1 24 . 11 1 1 A 6 6 PHE C C 6 174.000 174.779 -0.779 1
1 25 . 11 1 1 A 6 6 PHE CA C 6 56.000 55.947 0.053 1
1 26 . 11 1 1 A 6 6 PHE CB C 6 44.000 37.174 6.826 1
1 31 . 11 1 1 A 6 6 PHE N N 6 126.000 119.123 6.877 1
1 32 . 11 1 1 A 7 7 THR C C 7 174.000 173.329 0.671 1
1 33 . 11 1 1 A 7 7 THR CA C 7 59.600 60.362 -0.762 1
1 34 . 11 1 1 A 7 7 THR CB C 7 71.000 69.911 1.089 1
1 36 . 11 1 1 A 8 8 ASP C C 8 174.000 177.749 -3.749 1
1 37 . 11 1 1 A 8 8 ASP CA C 8 53.000 55.996 -2.996 1
1 38 . 11 1 1 A 8 8 ASP CB C 8 45.000 41.742 3.258 1
1 40 . 11 1 1 A 8 8 ASP N N 8 122.000 125.960 -3.960 1
1 41 . 11 1 1 A 9 9 SER C C 9 173.000 176.228 -3.228 1
1 42 . 11 1 1 A 9 9 SER CA C 9 56.000 61.639 -5.639 1
1 43 . 11 1 1 A 9 9 SER CB C 9 66.000 62.437 3.563 1
1 44 . 11 1 1 A 9 9 SER N N 9 112.000 114.108 -2.108 1
1 45 . 11 1 1 A 10 10 TYR C C 10 174.000 177.543 -3.543 1
1 46 . 11 1 1 A 10 10 TYR CA C 10 55.000 61.811 -6.811 1
1 47 . 11 1 1 A 10 10 TYR CB C 10 44.000 38.172 5.828 1
1 54 . 11 1 1 A 11 11 SER C C 11 173.000 176.201 -3.201 1
1 55 . 11 1 1 A 11 11 SER CA C 11 56.000 61.021 -5.021 1
1 56 . 11 1 1 A 11 11 SER CB C 11 66.000 62.664 3.336 1
1 57 . 11 1 1 A 11 11 SER N N 11 112.000 114.561 -2.561 1
1 58 . 11 1 1 A 12 12 ARG C C 12 174.000 176.909 -2.909 1
1 59 . 11 1 1 A 12 12 ARG CA C 12 54.000 58.054 -4.054 1
1 60 . 11 1 1 A 12 12 ARG CB C 12 34.000 29.507 4.493 1
1 65 . 11 1 1 A 13 13 TYR C C 13 174.000 177.990 -3.990 1
1 66 . 11 1 1 A 13 13 TYR CA C 13 55.000 59.596 -4.596 1
1 67 . 11 1 1 A 13 13 TYR CB C 13 44.000 38.236 5.764 1
1 74 . 11 1 1 A 14 14 ARG C C 14 174.000 178.295 -4.295 1
1 75 . 11 1 1 A 14 14 ARG CA C 14 54.000 58.365 -4.365 1
1 76 . 11 1 1 A 14 14 ARG CB C 14 35.000 30.499 4.501 1
1 81 . 11 1 1 A 15 15 LYS C C 15 174.000 179.663 -5.663 1
1 82 . 11 1 1 A 15 15 LYS CA C 15 54.000 59.704 -5.704 1
1 83 . 11 1 1 A 15 15 LYS CB C 15 36.000 32.234 3.766 1
1 88 . 11 1 1 A 16 16 GLN C C 16 174.000 178.746 -4.746 1
1 89 . 11 1 1 A 16 16 GLN CA C 16 54.000 59.265 -5.265 1
1 90 . 11 1 1 A 16 16 GLN CB C 16 30.000 28.083 1.917 1
1 93 . 11 1 1 A 17 17 MET C C 17 174.000 178.719 -4.719 1
1 94 . 11 1 1 A 17 17 MET CA C 17 54.000 58.205 -4.205 1
1 95 . 11 1 1 A 17 17 MET CB C 17 35.000 32.340 2.660 1
1 96 . 11 1 1 A 18 18 ALA C C 18 175.000 180.044 -5.044 1
1 97 . 11 1 1 A 18 18 ALA CA C 18 51.000 55.111 -4.111 1
1 98 . 11 1 1 A 18 18 ALA CB C 18 23.000 18.540 4.460 1
1 99 . 11 1 1 A 19 19 VAL C C 19 174.000 177.999 -3.999 1
1 100 . 11 1 1 A 19 19 VAL CA C 19 60.400 67.061 -6.661 1
1 101 . 11 1 1 A 19 19 VAL CB C 19 35.000 31.573 3.427 1
1 104 . 11 1 1 A 19 19 VAL N N 19 122.000 118.256 3.744 1
1 6 . 12 1 1 A 2 2 SER C C 2 173.000 172.712 0.288 1
1 7 . 12 1 1 A 2 2 SER CA C 2 56.000 57.532 -1.532 1
1 8 . 12 1 1 A 2 2 SER CB C 2 66.000 67.607 -1.607 1
1 9 . 12 1 1 A 2 2 SER N N 2 112.000 122.475 -10.475 1
1 10 . 12 1 1 A 3 3 ASP C C 3 174.000 176.036 -2.036 1
1 11 . 12 1 1 A 3 3 ASP CA C 3 53.000 53.164 -0.164 1
1 12 . 12 1 1 A 3 3 ASP CB C 3 45.000 41.018 3.982 1
1 14 . 12 1 1 A 4 4 GLY C C 4 171.000 175.247 -4.247 1
1 15 . 12 1 1 A 4 4 GLY CA C 4 45.000 47.218 -2.218 1
1 16 . 12 1 1 A 4 4 GLY N N 4 108.000 114.722 -6.722 1
1 17 . 12 1 1 A 5 5 ILE C C 5 174.000 175.339 -1.339 1
1 18 . 12 1 1 A 5 5 ILE CA C 5 59.000 62.976 -3.976 1
1 19 . 12 1 1 A 5 5 ILE CB C 5 42.000 37.979 4.021 1
1 23 . 12 1 1 A 5 5 ILE N N 5 120.000 125.995 -5.995 1
1 24 . 12 1 1 A 6 6 PHE C C 6 174.000 174.773 -0.773 1
1 25 . 12 1 1 A 6 6 PHE CA C 6 56.000 55.939 0.061 1
1 26 . 12 1 1 A 6 6 PHE CB C 6 44.000 37.168 6.832 1
1 31 . 12 1 1 A 6 6 PHE N N 6 126.000 119.121 6.879 1
1 32 . 12 1 1 A 7 7 THR C C 7 174.000 173.225 0.775 1
1 33 . 12 1 1 A 7 7 THR CA C 7 59.600 60.376 -0.776 1
1 34 . 12 1 1 A 7 7 THR CB C 7 71.000 69.916 1.084 1
1 36 . 12 1 1 A 8 8 ASP C C 8 174.000 177.754 -3.754 1
1 37 . 12 1 1 A 8 8 ASP CA C 8 53.000 56.000 -3.000 1
1 38 . 12 1 1 A 8 8 ASP CB C 8 45.000 41.745 3.255 1
1 40 . 12 1 1 A 8 8 ASP N N 8 122.000 125.977 -3.977 1
1 41 . 12 1 1 A 9 9 SER C C 9 173.000 176.228 -3.228 1
1 42 . 12 1 1 A 9 9 SER CA C 9 56.000 61.644 -5.644 1
1 43 . 12 1 1 A 9 9 SER CB C 9 66.000 62.451 3.549 1
1 44 . 12 1 1 A 9 9 SER N N 9 112.000 114.084 -2.084 1
1 45 . 12 1 1 A 10 10 TYR C C 10 174.000 177.529 -3.529 1
1 46 . 12 1 1 A 10 10 TYR CA C 10 55.000 61.900 -6.900 1
1 47 . 12 1 1 A 10 10 TYR CB C 10 44.000 38.188 5.812 1
1 54 . 12 1 1 A 11 11 SER C C 11 173.000 176.200 -3.200 1
1 55 . 12 1 1 A 11 11 SER CA C 11 56.000 61.016 -5.016 1
1 56 . 12 1 1 A 11 11 SER CB C 11 66.000 62.684 3.316 1
1 57 . 12 1 1 A 11 11 SER N N 11 112.000 114.687 -2.687 1
1 58 . 12 1 1 A 12 12 ARG C C 12 174.000 176.795 -2.795 1
1 59 . 12 1 1 A 12 12 ARG CA C 12 54.000 58.030 -4.030 1
1 60 . 12 1 1 A 12 12 ARG CB C 12 34.000 29.486 4.514 1
1 65 . 12 1 1 A 13 13 TYR C C 13 174.000 177.871 -3.871 1
1 66 . 12 1 1 A 13 13 TYR CA C 13 55.000 59.478 -4.478 1
1 67 . 12 1 1 A 13 13 TYR CB C 13 44.000 38.921 5.079 1
1 74 . 12 1 1 A 14 14 ARG C C 14 174.000 178.178 -4.178 1
1 75 . 12 1 1 A 14 14 ARG CA C 14 54.000 58.278 -4.278 1
1 76 . 12 1 1 A 14 14 ARG CB C 14 35.000 30.682 4.318 1
1 81 . 12 1 1 A 15 15 LYS C C 15 174.000 179.524 -5.524 1
1 82 . 12 1 1 A 15 15 LYS CA C 15 54.000 59.767 -5.767 1
1 83 . 12 1 1 A 15 15 LYS CB C 15 36.000 32.186 3.814 1
1 88 . 12 1 1 A 16 16 GLN C C 16 174.000 178.768 -4.768 1
1 89 . 12 1 1 A 16 16 GLN CA C 16 54.000 59.277 -5.277 1
1 90 . 12 1 1 A 16 16 GLN CB C 16 30.000 28.054 1.946 1
1 93 . 12 1 1 A 17 17 MET C C 17 174.000 178.711 -4.711 1
1 94 . 12 1 1 A 17 17 MET CA C 17 54.000 57.965 -3.965 1
1 95 . 12 1 1 A 17 17 MET CB C 17 35.000 32.320 2.680 1
1 96 . 12 1 1 A 18 18 ALA C C 18 175.000 179.949 -4.949 1
1 97 . 12 1 1 A 18 18 ALA CA C 18 51.000 55.254 -4.254 1
1 98 . 12 1 1 A 18 18 ALA CB C 18 23.000 18.520 4.480 1
1 99 . 12 1 1 A 19 19 VAL C C 19 174.000 178.022 -4.022 1
1 100 . 12 1 1 A 19 19 VAL CA C 19 60.400 67.059 -6.659 1
1 101 . 12 1 1 A 19 19 VAL CB C 19 35.000 31.569 3.431 1
1 104 . 12 1 1 A 19 19 VAL N N 19 122.000 118.257 3.743 1
1 6 . 13 1 1 A 2 2 SER C C 2 173.000 172.582 0.418 1
1 7 . 13 1 1 A 2 2 SER CA C 2 56.000 57.602 -1.602 1
1 8 . 13 1 1 A 2 2 SER CB C 2 66.000 67.648 -1.648 1
1 9 . 13 1 1 A 2 2 SER N N 2 112.000 122.560 -10.560 1
1 10 . 13 1 1 A 3 3 ASP C C 3 174.000 176.136 -2.136 1
1 11 . 13 1 1 A 3 3 ASP CA C 3 53.000 52.939 0.061 1
1 12 . 13 1 1 A 3 3 ASP CB C 3 45.000 41.065 3.935 1
1 14 . 13 1 1 A 4 4 GLY C C 4 171.000 175.277 -4.277 1
1 15 . 13 1 1 A 4 4 GLY CA C 4 45.000 47.221 -2.221 1
1 16 . 13 1 1 A 4 4 GLY N N 4 108.000 114.652 -6.652 1
1 17 . 13 1 1 A 5 5 ILE C C 5 174.000 175.950 -1.950 1
1 18 . 13 1 1 A 5 5 ILE CA C 5 59.000 63.026 -4.026 1
1 19 . 13 1 1 A 5 5 ILE CB C 5 42.000 37.961 4.039 1
1 23 . 13 1 1 A 5 5 ILE N N 5 120.000 126.174 -6.174 1
1 24 . 13 1 1 A 6 6 PHE C C 6 174.000 174.672 -0.672 1
1 25 . 13 1 1 A 6 6 PHE CA C 6 56.000 56.046 -0.046 1
1 26 . 13 1 1 A 6 6 PHE CB C 6 44.000 37.811 6.189 1
1 31 . 13 1 1 A 6 6 PHE N N 6 126.000 118.490 7.510 1
1 32 . 13 1 1 A 7 7 THR C C 7 174.000 173.380 0.620 1
1 33 . 13 1 1 A 7 7 THR CA C 7 59.600 60.262 -0.662 1
1 34 . 13 1 1 A 7 7 THR CB C 7 71.000 69.919 1.081 1
1 36 . 13 1 1 A 8 8 ASP C C 8 174.000 177.853 -3.853 1
1 37 . 13 1 1 A 8 8 ASP CA C 8 53.000 56.156 -3.156 1
1 38 . 13 1 1 A 8 8 ASP CB C 8 45.000 41.786 3.214 1
1 40 . 13 1 1 A 8 8 ASP N N 8 122.000 125.487 -3.487 1
1 41 . 13 1 1 A 9 9 SER C C 9 173.000 176.273 -3.273 1
1 42 . 13 1 1 A 9 9 SER CA C 9 56.000 61.636 -5.636 1
1 43 . 13 1 1 A 9 9 SER CB C 9 66.000 62.384 3.616 1
1 44 . 13 1 1 A 9 9 SER N N 9 112.000 114.376 -2.376 1
1 45 . 13 1 1 A 10 10 TYR C C 10 174.000 177.548 -3.548 1
1 46 . 13 1 1 A 10 10 TYR CA C 10 55.000 61.816 -6.816 1
1 47 . 13 1 1 A 10 10 TYR CB C 10 44.000 38.116 5.884 1
1 54 . 13 1 1 A 11 11 SER C C 11 173.000 176.168 -3.168 1
1 55 . 13 1 1 A 11 11 SER CA C 11 56.000 61.032 -5.032 1
1 56 . 13 1 1 A 11 11 SER CB C 11 66.000 62.651 3.349 1
1 57 . 13 1 1 A 11 11 SER N N 11 112.000 114.814 -2.814 1
1 58 . 13 1 1 A 12 12 ARG C C 12 174.000 176.671 -2.671 1
1 59 . 13 1 1 A 12 12 ARG CA C 12 54.000 58.059 -4.059 1
1 60 . 13 1 1 A 12 12 ARG CB C 12 34.000 29.575 4.425 1
1 65 . 13 1 1 A 13 13 TYR C C 13 174.000 177.716 -3.716 1
1 66 . 13 1 1 A 13 13 TYR CA C 13 55.000 59.670 -4.670 1
1 67 . 13 1 1 A 13 13 TYR CB C 13 44.000 38.789 5.211 1
1 74 . 13 1 1 A 14 14 ARG C C 14 174.000 178.295 -4.295 1
1 75 . 13 1 1 A 14 14 ARG CA C 14 54.000 57.663 -3.663 1
1 76 . 13 1 1 A 14 14 ARG CB C 14 35.000 31.566 3.434 1
1 81 . 13 1 1 A 15 15 LYS C C 15 174.000 178.704 -4.704 1
1 82 . 13 1 1 A 15 15 LYS CA C 15 54.000 59.885 -5.885 1
1 83 . 13 1 1 A 15 15 LYS CB C 15 36.000 32.161 3.839 1
1 88 . 13 1 1 A 16 16 GLN C C 16 174.000 177.961 -3.961 1
1 89 . 13 1 1 A 16 16 GLN CA C 16 54.000 58.158 -4.158 1
1 90 . 13 1 1 A 16 16 GLN CB C 16 30.000 28.384 1.616 1
1 93 . 13 1 1 A 17 17 MET C C 17 174.000 178.711 -4.711 1
1 94 . 13 1 1 A 17 17 MET CA C 17 54.000 57.964 -3.964 1
1 95 . 13 1 1 A 17 17 MET CB C 17 35.000 32.308 2.692 1
1 96 . 13 1 1 A 18 18 ALA C C 18 175.000 179.948 -4.948 1
1 97 . 13 1 1 A 18 18 ALA CA C 18 51.000 55.218 -4.218 1
1 98 . 13 1 1 A 18 18 ALA CB C 18 23.000 18.536 4.464 1
1 99 . 13 1 1 A 19 19 VAL C C 19 174.000 178.025 -4.025 1
1 100 . 13 1 1 A 19 19 VAL CA C 19 60.400 67.062 -6.662 1
1 101 . 13 1 1 A 19 19 VAL CB C 19 35.000 31.603 3.397 1
1 104 . 13 1 1 A 19 19 VAL N N 19 122.000 118.240 3.760 1
1 6 . 14 1 1 A 2 2 SER C C 2 173.000 172.930 0.070 1
1 7 . 14 1 1 A 2 2 SER CA C 2 56.000 57.316 -1.316 1
1 8 . 14 1 1 A 2 2 SER CB C 2 66.000 67.134 -1.134 1
1 9 . 14 1 1 A 2 2 SER N N 2 112.000 120.577 -8.577 1
1 10 . 14 1 1 A 3 3 ASP C C 3 174.000 176.064 -2.064 1
1 11 . 14 1 1 A 3 3 ASP CA C 3 53.000 53.215 -0.215 1
1 12 . 14 1 1 A 3 3 ASP CB C 3 45.000 41.122 3.878 1
1 14 . 14 1 1 A 4 4 GLY C C 4 171.000 175.254 -4.254 1
1 15 . 14 1 1 A 4 4 GLY CA C 4 45.000 47.226 -2.226 1
1 16 . 14 1 1 A 4 4 GLY N N 4 108.000 114.740 -6.740 1
1 17 . 14 1 1 A 5 5 ILE C C 5 174.000 175.342 -1.342 1
1 18 . 14 1 1 A 5 5 ILE CA C 5 59.000 62.961 -3.961 1
1 19 . 14 1 1 A 5 5 ILE CB C 5 42.000 37.851 4.149 1
1 23 . 14 1 1 A 5 5 ILE N N 5 120.000 125.988 -5.988 1
1 24 . 14 1 1 A 6 6 PHE C C 6 174.000 174.807 -0.807 1
1 25 . 14 1 1 A 6 6 PHE CA C 6 56.000 55.987 0.013 1
1 26 . 14 1 1 A 6 6 PHE CB C 6 44.000 37.249 6.751 1
1 31 . 14 1 1 A 6 6 PHE N N 6 126.000 119.159 6.841 1
1 32 . 14 1 1 A 7 7 THR C C 7 174.000 173.366 0.634 1
1 33 . 14 1 1 A 7 7 THR CA C 7 59.600 60.396 -0.796 1
1 34 . 14 1 1 A 7 7 THR CB C 7 71.000 69.926 1.074 1
1 36 . 14 1 1 A 8 8 ASP C C 8 174.000 177.764 -3.764 1
1 37 . 14 1 1 A 8 8 ASP CA C 8 53.000 56.060 -3.060 1
1 38 . 14 1 1 A 8 8 ASP CB C 8 45.000 41.751 3.249 1
1 40 . 14 1 1 A 8 8 ASP N N 8 122.000 125.977 -3.977 1
1 41 . 14 1 1 A 9 9 SER C C 9 173.000 176.237 -3.237 1
1 42 . 14 1 1 A 9 9 SER CA C 9 56.000 61.644 -5.644 1
1 43 . 14 1 1 A 9 9 SER CB C 9 66.000 62.446 3.554 1
1 44 . 14 1 1 A 9 9 SER N N 9 112.000 114.449 -2.449 1
1 45 . 14 1 1 A 10 10 TYR C C 10 174.000 177.547 -3.547 1
1 46 . 14 1 1 A 10 10 TYR CA C 10 55.000 61.819 -6.819 1
1 47 . 14 1 1 A 10 10 TYR CB C 10 44.000 38.140 5.860 1
1 54 . 14 1 1 A 11 11 SER C C 11 173.000 176.214 -3.214 1
1 55 . 14 1 1 A 11 11 SER CA C 11 56.000 61.050 -5.050 1
1 56 . 14 1 1 A 11 11 SER CB C 11 66.000 62.699 3.301 1
1 57 . 14 1 1 A 11 11 SER N N 11 112.000 114.594 -2.594 1
1 58 . 14 1 1 A 12 12 ARG C C 12 174.000 176.784 -2.784 1
1 59 . 14 1 1 A 12 12 ARG CA C 12 54.000 58.034 -4.034 1
1 60 . 14 1 1 A 12 12 ARG CB C 12 34.000 29.483 4.517 1
1 65 . 14 1 1 A 13 13 TYR C C 13 174.000 177.611 -3.611 1
1 66 . 14 1 1 A 13 13 TYR CA C 13 55.000 59.451 -4.451 1
1 67 . 14 1 1 A 13 13 TYR CB C 13 44.000 39.113 4.887 1
1 74 . 14 1 1 A 14 14 ARG C C 14 174.000 178.048 -4.048 1
1 75 . 14 1 1 A 14 14 ARG CA C 14 54.000 56.976 -2.976 1
1 76 . 14 1 1 A 14 14 ARG CB C 14 35.000 31.649 3.351 1
1 81 . 14 1 1 A 15 15 LYS C C 15 174.000 178.633 -4.633 1
1 82 . 14 1 1 A 15 15 LYS CA C 15 54.000 60.142 -6.142 1
1 83 . 14 1 1 A 15 15 LYS CB C 15 36.000 32.141 3.859 1
1 88 . 14 1 1 A 16 16 GLN C C 16 174.000 177.894 -3.894 1
1 89 . 14 1 1 A 16 16 GLN CA C 16 54.000 58.156 -4.156 1
1 90 . 14 1 1 A 16 16 GLN CB C 16 30.000 28.391 1.609 1
1 93 . 14 1 1 A 17 17 MET C C 17 174.000 178.845 -4.845 1
1 94 . 14 1 1 A 17 17 MET CA C 17 54.000 58.403 -4.403 1
1 95 . 14 1 1 A 17 17 MET CB C 17 35.000 32.252 2.748 1
1 96 . 14 1 1 A 18 18 ALA C C 18 175.000 179.940 -4.940 1
1 97 . 14 1 1 A 18 18 ALA CA C 18 51.000 55.304 -4.304 1
1 98 . 14 1 1 A 18 18 ALA CB C 18 23.000 18.326 4.674 1
1 99 . 14 1 1 A 19 19 VAL C C 19 174.000 177.883 -3.883 1
1 100 . 14 1 1 A 19 19 VAL CA C 19 60.400 67.048 -6.648 1
1 101 . 14 1 1 A 19 19 VAL CB C 19 35.000 31.620 3.380 1
1 104 . 14 1 1 A 19 19 VAL N N 19 122.000 118.357 3.643 1
1 6 . 15 1 1 A 2 2 SER C C 2 173.000 172.496 0.504 1
1 7 . 15 1 1 A 2 2 SER CA C 2 56.000 60.146 -4.146 1
1 8 . 15 1 1 A 2 2 SER CB C 2 66.000 62.102 3.898 1
1 9 . 15 1 1 A 2 2 SER N N 2 112.000 113.164 -1.164 1
1 10 . 15 1 1 A 3 3 ASP C C 3 174.000 175.980 -1.980 1
1 11 . 15 1 1 A 3 3 ASP CA C 3 53.000 53.348 -0.348 1
1 12 . 15 1 1 A 3 3 ASP CB C 3 45.000 41.122 3.878 1
1 14 . 15 1 1 A 4 4 GLY C C 4 171.000 175.248 -4.248 1
1 15 . 15 1 1 A 4 4 GLY CA C 4 45.000 47.236 -2.236 1
1 16 . 15 1 1 A 4 4 GLY N N 4 108.000 114.873 -6.873 1
1 17 . 15 1 1 A 5 5 ILE C C 5 174.000 175.359 -1.359 1
1 18 . 15 1 1 A 5 5 ILE CA C 5 59.000 62.984 -3.984 1
1 19 . 15 1 1 A 5 5 ILE CB C 5 42.000 37.971 4.029 1
1 23 . 15 1 1 A 5 5 ILE N N 5 120.000 125.984 -5.984 1
1 24 . 15 1 1 A 6 6 PHE C C 6 174.000 174.837 -0.837 1
1 25 . 15 1 1 A 6 6 PHE CA C 6 56.000 56.011 -0.011 1
1 26 . 15 1 1 A 6 6 PHE CB C 6 44.000 37.267 6.733 1
1 31 . 15 1 1 A 6 6 PHE N N 6 126.000 119.163 6.837 1
1 32 . 15 1 1 A 7 7 THR C C 7 174.000 173.403 0.597 1
1 33 . 15 1 1 A 7 7 THR CA C 7 59.600 60.292 -0.692 1
1 34 . 15 1 1 A 7 7 THR CB C 7 71.000 70.015 0.985 1
1 36 . 15 1 1 A 8 8 ASP C C 8 174.000 177.795 -3.795 1
1 37 . 15 1 1 A 8 8 ASP CA C 8 53.000 56.168 -3.168 1
1 38 . 15 1 1 A 8 8 ASP CB C 8 45.000 41.740 3.260 1
1 40 . 15 1 1 A 8 8 ASP N N 8 122.000 125.730 -3.730 1
1 41 . 15 1 1 A 9 9 SER C C 9 173.000 176.213 -3.213 1
1 42 . 15 1 1 A 9 9 SER CA C 9 56.000 61.734 -5.734 1
1 43 . 15 1 1 A 9 9 SER CB C 9 66.000 62.747 3.253 1
1 44 . 15 1 1 A 9 9 SER N N 9 112.000 114.144 -2.144 1
1 45 . 15 1 1 A 10 10 TYR C C 10 174.000 177.601 -3.601 1
1 46 . 15 1 1 A 10 10 TYR CA C 10 55.000 61.882 -6.882 1
1 47 . 15 1 1 A 10 10 TYR CB C 10 44.000 38.145 5.855 1
1 54 . 15 1 1 A 11 11 SER C C 11 173.000 176.150 -3.150 1
1 55 . 15 1 1 A 11 11 SER CA C 11 56.000 60.944 -4.944 1
1 56 . 15 1 1 A 11 11 SER CB C 11 66.000 62.621 3.379 1
1 57 . 15 1 1 A 11 11 SER N N 11 112.000 114.491 -2.491 1
1 58 . 15 1 1 A 12 12 ARG C C 12 174.000 178.083 -4.083 1
1 59 . 15 1 1 A 12 12 ARG CA C 12 54.000 58.015 -4.015 1
1 60 . 15 1 1 A 12 12 ARG CB C 12 34.000 30.006 3.994 1
1 65 . 15 1 1 A 13 13 TYR C C 13 174.000 177.681 -3.681 1
1 66 . 15 1 1 A 13 13 TYR CA C 13 55.000 61.171 -6.171 1
1 67 . 15 1 1 A 13 13 TYR CB C 13 44.000 38.411 5.589 1
1 74 . 15 1 1 A 14 14 ARG C C 14 174.000 178.343 -4.343 1
1 75 . 15 1 1 A 14 14 ARG CA C 14 54.000 59.122 -5.122 1
1 76 . 15 1 1 A 14 14 ARG CB C 14 35.000 30.004 4.996 1
1 81 . 15 1 1 A 15 15 LYS C C 15 174.000 179.501 -5.501 1
1 82 . 15 1 1 A 15 15 LYS CA C 15 54.000 59.799 -5.799 1
1 83 . 15 1 1 A 15 15 LYS CB C 15 36.000 32.041 3.959 1
1 88 . 15 1 1 A 16 16 GLN C C 16 174.000 178.668 -4.668 1
1 89 . 15 1 1 A 16 16 GLN CA C 16 54.000 59.128 -5.128 1
1 90 . 15 1 1 A 16 16 GLN CB C 16 30.000 28.107 1.893 1
1 93 . 15 1 1 A 17 17 MET C C 17 174.000 178.689 -4.689 1
1 94 . 15 1 1 A 17 17 MET CA C 17 54.000 58.109 -4.109 1
1 95 . 15 1 1 A 17 17 MET CB C 17 35.000 32.244 2.756 1
1 96 . 15 1 1 A 18 18 ALA C C 18 175.000 180.036 -5.036 1
1 97 . 15 1 1 A 18 18 ALA CA C 18 51.000 55.213 -4.213 1
1 98 . 15 1 1 A 18 18 ALA CB C 18 23.000 18.531 4.469 1
1 99 . 15 1 1 A 19 19 VAL C C 19 174.000 177.813 -3.813 1
1 100 . 15 1 1 A 19 19 VAL CA C 19 60.400 67.008 -6.608 1
1 101 . 15 1 1 A 19 19 VAL CB C 19 35.000 31.575 3.425 1
1 104 . 15 1 1 A 19 19 VAL N N 19 122.000 118.232 3.768 1
1 6 . 16 1 1 A 2 2 SER C C 2 173.000 172.276 0.724 1
1 7 . 16 1 1 A 2 2 SER CA C 2 56.000 57.570 -1.570 1
1 8 . 16 1 1 A 2 2 SER CB C 2 66.000 66.518 -0.518 1
1 9 . 16 1 1 A 2 2 SER N N 2 112.000 119.367 -7.367 1
1 10 . 16 1 1 A 3 3 ASP C C 3 174.000 176.251 -2.251 1
1 11 . 16 1 1 A 3 3 ASP CA C 3 53.000 52.938 0.062 1
1 12 . 16 1 1 A 3 3 ASP CB C 3 45.000 41.200 3.800 1
1 14 . 16 1 1 A 4 4 GLY C C 4 171.000 175.449 -4.449 1
1 15 . 16 1 1 A 4 4 GLY CA C 4 45.000 47.334 -2.334 1
1 16 . 16 1 1 A 4 4 GLY N N 4 108.000 114.466 -6.466 1
1 17 . 16 1 1 A 5 5 ILE C C 5 174.000 176.205 -2.205 1
1 18 . 16 1 1 A 5 5 ILE CA C 5 59.000 63.037 -4.037 1
1 19 . 16 1 1 A 5 5 ILE CB C 5 42.000 37.973 4.027 1
1 23 . 16 1 1 A 5 5 ILE N N 5 120.000 126.283 -6.283 1
1 24 . 16 1 1 A 6 6 PHE C C 6 174.000 174.734 -0.734 1
1 25 . 16 1 1 A 6 6 PHE CA C 6 56.000 56.020 -0.020 1
1 26 . 16 1 1 A 6 6 PHE CB C 6 44.000 37.812 6.188 1
1 31 . 16 1 1 A 6 6 PHE N N 6 126.000 119.019 6.981 1
1 32 . 16 1 1 A 7 7 THR C C 7 174.000 173.370 0.630 1
1 33 . 16 1 1 A 7 7 THR CA C 7 59.600 60.243 -0.643 1
1 34 . 16 1 1 A 7 7 THR CB C 7 71.000 70.002 0.998 1
1 36 . 16 1 1 A 8 8 ASP C C 8 174.000 177.865 -3.865 1
1 37 . 16 1 1 A 8 8 ASP CA C 8 53.000 56.180 -3.180 1
1 38 . 16 1 1 A 8 8 ASP CB C 8 45.000 41.636 3.364 1
1 40 . 16 1 1 A 8 8 ASP N N 8 122.000 125.032 -3.032 1
1 41 . 16 1 1 A 9 9 SER C C 9 173.000 176.264 -3.264 1
1 42 . 16 1 1 A 9 9 SER CA C 9 56.000 61.787 -5.787 1
1 43 . 16 1 1 A 9 9 SER CB C 9 66.000 62.816 3.184 1
1 44 . 16 1 1 A 9 9 SER N N 9 112.000 114.457 -2.457 1
1 45 . 16 1 1 A 10 10 TYR C C 10 174.000 177.812 -3.812 1
1 46 . 16 1 1 A 10 10 TYR CA C 10 55.000 61.778 -6.778 1
1 47 . 16 1 1 A 10 10 TYR CB C 10 44.000 38.117 5.883 1
1 54 . 16 1 1 A 11 11 SER C C 11 173.000 176.052 -3.052 1
1 55 . 16 1 1 A 11 11 SER CA C 11 56.000 60.897 -4.897 1
1 56 . 16 1 1 A 11 11 SER CB C 11 66.000 62.587 3.413 1
1 57 . 16 1 1 A 11 11 SER N N 11 112.000 114.731 -2.731 1
1 58 . 16 1 1 A 12 12 ARG C C 12 174.000 177.587 -3.587 1
1 59 . 16 1 1 A 12 12 ARG CA C 12 54.000 58.206 -4.206 1
1 60 . 16 1 1 A 12 12 ARG CB C 12 34.000 30.073 3.927 1
1 65 . 16 1 1 A 13 13 TYR C C 13 174.000 177.422 -3.422 1
1 66 . 16 1 1 A 13 13 TYR CA C 13 55.000 60.425 -5.425 1
1 67 . 16 1 1 A 13 13 TYR CB C 13 44.000 38.615 5.385 1
1 74 . 16 1 1 A 14 14 ARG C C 14 174.000 178.021 -4.021 1
1 75 . 16 1 1 A 14 14 ARG CA C 14 54.000 59.093 -5.093 1
1 76 . 16 1 1 A 14 14 ARG CB C 14 35.000 29.219 5.781 1
1 81 . 16 1 1 A 15 15 LYS C C 15 174.000 179.734 -5.734 1
1 82 . 16 1 1 A 15 15 LYS CA C 15 54.000 59.739 -5.739 1
1 83 . 16 1 1 A 15 15 LYS CB C 15 36.000 32.139 3.861 1
1 88 . 16 1 1 A 16 16 GLN C C 16 174.000 178.917 -4.917 1
1 89 . 16 1 1 A 16 16 GLN CA C 16 54.000 59.160 -5.160 1
1 90 . 16 1 1 A 16 16 GLN CB C 16 30.000 28.232 1.768 1
1 93 . 16 1 1 A 17 17 MET C C 17 174.000 178.771 -4.771 1
1 94 . 16 1 1 A 17 17 MET CA C 17 54.000 58.271 -4.271 1
1 95 . 16 1 1 A 17 17 MET CB C 17 35.000 32.411 2.589 1
1 96 . 16 1 1 A 18 18 ALA C C 18 175.000 179.972 -4.972 1
1 97 . 16 1 1 A 18 18 ALA CA C 18 51.000 55.287 -4.287 1
1 98 . 16 1 1 A 18 18 ALA CB C 18 23.000 18.501 4.499 1
1 99 . 16 1 1 A 19 19 VAL C C 19 174.000 178.035 -4.035 1
1 100 . 16 1 1 A 19 19 VAL CA C 19 60.400 67.030 -6.630 1
1 101 . 16 1 1 A 19 19 VAL CB C 19 35.000 31.595 3.405 1
1 104 . 16 1 1 A 19 19 VAL N N 19 122.000 118.271 3.729 1
1 6 . 17 1 1 A 2 2 SER C C 2 173.000 173.275 -0.275 1
1 7 . 17 1 1 A 2 2 SER CA C 2 56.000 57.281 -1.281 1
1 8 . 17 1 1 A 2 2 SER CB C 2 66.000 64.081 1.919 1
1 9 . 17 1 1 A 2 2 SER N N 2 112.000 112.447 -0.447 1
1 10 . 17 1 1 A 3 3 ASP C C 3 174.000 176.173 -2.173 1
1 11 . 17 1 1 A 3 3 ASP CA C 3 53.000 52.564 0.436 1
1 12 . 17 1 1 A 3 3 ASP CB C 3 45.000 41.459 3.541 1
1 14 . 17 1 1 A 4 4 GLY C C 4 171.000 175.291 -4.291 1
1 15 . 17 1 1 A 4 4 GLY CA C 4 45.000 47.211 -2.211 1
1 16 . 17 1 1 A 4 4 GLY N N 4 108.000 113.297 -5.297 1
1 17 . 17 1 1 A 5 5 ILE C C 5 174.000 175.606 -1.606 1
1 18 . 17 1 1 A 5 5 ILE CA C 5 59.000 63.154 -4.154 1
1 19 . 17 1 1 A 5 5 ILE CB C 5 42.000 37.928 4.072 1
1 23 . 17 1 1 A 5 5 ILE N N 5 120.000 126.131 -6.131 1
1 24 . 17 1 1 A 6 6 PHE C C 6 174.000 174.710 -0.710 1
1 25 . 17 1 1 A 6 6 PHE CA C 6 56.000 55.890 0.110 1
1 26 . 17 1 1 A 6 6 PHE CB C 6 44.000 37.451 6.549 1
1 31 . 17 1 1 A 6 6 PHE N N 6 126.000 118.755 7.245 1
1 32 . 17 1 1 A 7 7 THR C C 7 174.000 173.265 0.735 1
1 33 . 17 1 1 A 7 7 THR CA C 7 59.600 60.409 -0.809 1
1 34 . 17 1 1 A 7 7 THR CB C 7 71.000 69.971 1.029 1
1 36 . 17 1 1 A 8 8 ASP C C 8 174.000 177.776 -3.776 1
1 37 . 17 1 1 A 8 8 ASP CA C 8 53.000 56.080 -3.080 1
1 38 . 17 1 1 A 8 8 ASP CB C 8 45.000 41.757 3.243 1
1 40 . 17 1 1 A 8 8 ASP N N 8 122.000 125.304 -3.304 1
1 41 . 17 1 1 A 9 9 SER C C 9 173.000 176.256 -3.256 1
1 42 . 17 1 1 A 9 9 SER CA C 9 56.000 61.655 -5.655 1
1 43 . 17 1 1 A 9 9 SER CB C 9 66.000 62.495 3.505 1
1 44 . 17 1 1 A 9 9 SER N N 9 112.000 114.458 -2.458 1
1 45 . 17 1 1 A 10 10 TYR C C 10 174.000 177.578 -3.578 1
1 46 . 17 1 1 A 10 10 TYR CA C 10 55.000 61.923 -6.923 1
1 47 . 17 1 1 A 10 10 TYR CB C 10 44.000 38.171 5.829 1
1 54 . 17 1 1 A 11 11 SER C C 11 173.000 176.227 -3.227 1
1 55 . 17 1 1 A 11 11 SER CA C 11 56.000 61.055 -5.055 1
1 56 . 17 1 1 A 11 11 SER CB C 11 66.000 62.727 3.273 1
1 57 . 17 1 1 A 11 11 SER N N 11 112.000 114.877 -2.877 1
1 58 . 17 1 1 A 12 12 ARG C C 12 174.000 176.812 -2.812 1
1 59 . 17 1 1 A 12 12 ARG CA C 12 54.000 58.051 -4.051 1
1 60 . 17 1 1 A 12 12 ARG CB C 12 34.000 29.507 4.493 1
1 65 . 17 1 1 A 13 13 TYR C C 13 174.000 177.886 -3.886 1
1 66 . 17 1 1 A 13 13 TYR CA C 13 55.000 59.493 -4.493 1
1 67 . 17 1 1 A 13 13 TYR CB C 13 44.000 38.923 5.077 1
1 74 . 17 1 1 A 14 14 ARG C C 14 174.000 178.253 -4.253 1
1 75 . 17 1 1 A 14 14 ARG CA C 14 54.000 57.957 -3.957 1
1 76 . 17 1 1 A 14 14 ARG CB C 14 35.000 31.130 3.870 1
1 81 . 17 1 1 A 15 15 LYS C C 15 174.000 179.541 -5.541 1
1 82 . 17 1 1 A 15 15 LYS CA C 15 54.000 59.910 -5.910 1
1 83 . 17 1 1 A 15 15 LYS CB C 15 36.000 32.170 3.830 1
1 88 . 17 1 1 A 16 16 GLN C C 16 174.000 178.765 -4.765 1
1 89 . 17 1 1 A 16 16 GLN CA C 16 54.000 59.253 -5.253 1
1 90 . 17 1 1 A 16 16 GLN CB C 16 30.000 28.025 1.975 1
1 93 . 17 1 1 A 17 17 MET C C 17 174.000 178.713 -4.713 1
1 94 . 17 1 1 A 17 17 MET CA C 17 54.000 57.959 -3.959 1
1 95 . 17 1 1 A 17 17 MET CB C 17 35.000 32.327 2.673 1
1 96 . 17 1 1 A 18 18 ALA C C 18 175.000 180.046 -5.046 1
1 97 . 17 1 1 A 18 18 ALA CA C 18 51.000 55.112 -4.112 1
1 98 . 17 1 1 A 18 18 ALA CB C 18 23.000 18.503 4.497 1
1 99 . 17 1 1 A 19 19 VAL C C 19 174.000 177.991 -3.991 1
1 100 . 17 1 1 A 19 19 VAL CA C 19 60.400 67.065 -6.665 1
1 101 . 17 1 1 A 19 19 VAL CB C 19 35.000 31.575 3.425 1
1 104 . 17 1 1 A 19 19 VAL N N 19 122.000 118.253 3.747 1
1 6 . 18 1 1 A 2 2 SER C C 2 173.000 172.534 0.466 1
1 7 . 18 1 1 A 2 2 SER CA C 2 56.000 58.966 -2.966 1
1 8 . 18 1 1 A 2 2 SER CB C 2 66.000 61.069 4.931 1
1 9 . 18 1 1 A 2 2 SER N N 2 112.000 113.002 -1.002 1
1 10 . 18 1 1 A 3 3 ASP C C 3 174.000 176.137 -2.137 1
1 11 . 18 1 1 A 3 3 ASP CA C 3 53.000 52.577 0.423 1
1 12 . 18 1 1 A 3 3 ASP CB C 3 45.000 40.957 4.043 1
1 14 . 18 1 1 A 4 4 GLY C C 4 171.000 175.289 -4.289 1
1 15 . 18 1 1 A 4 4 GLY CA C 4 45.000 47.222 -2.222 1
1 16 . 18 1 1 A 4 4 GLY N N 4 108.000 114.257 -6.257 1
1 17 . 18 1 1 A 5 5 ILE C C 5 174.000 175.682 -1.682 1
1 18 . 18 1 1 A 5 5 ILE CA C 5 59.000 63.122 -4.122 1
1 19 . 18 1 1 A 5 5 ILE CB C 5 42.000 38.061 3.939 1
1 23 . 18 1 1 A 5 5 ILE N N 5 120.000 126.298 -6.298 1
1 24 . 18 1 1 A 6 6 PHE C C 6 174.000 174.692 -0.692 1
1 25 . 18 1 1 A 6 6 PHE CA C 6 56.000 56.110 -0.110 1
1 26 . 18 1 1 A 6 6 PHE CB C 6 44.000 37.813 6.187 1
1 31 . 18 1 1 A 6 6 PHE N N 6 126.000 118.347 7.653 1
1 32 . 18 1 1 A 7 7 THR C C 7 174.000 173.344 0.656 1
1 33 . 18 1 1 A 7 7 THR CA C 7 59.600 60.401 -0.801 1
1 34 . 18 1 1 A 7 7 THR CB C 7 71.000 69.938 1.062 1
1 36 . 18 1 1 A 8 8 ASP C C 8 174.000 177.819 -3.819 1
1 37 . 18 1 1 A 8 8 ASP CA C 8 53.000 55.997 -2.997 1
1 38 . 18 1 1 A 8 8 ASP CB C 8 45.000 41.773 3.227 1
1 40 . 18 1 1 A 8 8 ASP N N 8 122.000 125.988 -3.988 1
1 41 . 18 1 1 A 9 9 SER C C 9 173.000 176.208 -3.208 1
1 42 . 18 1 1 A 9 9 SER CA C 9 56.000 61.727 -5.727 1
1 43 . 18 1 1 A 9 9 SER CB C 9 66.000 62.564 3.436 1
1 44 . 18 1 1 A 9 9 SER N N 9 112.000 114.171 -2.171 1
1 45 . 18 1 1 A 10 10 TYR C C 10 174.000 177.560 -3.560 1
1 46 . 18 1 1 A 10 10 TYR CA C 10 55.000 61.824 -6.824 1
1 47 . 18 1 1 A 10 10 TYR CB C 10 44.000 38.186 5.814 1
1 54 . 18 1 1 A 11 11 SER C C 11 173.000 176.208 -3.208 1
1 55 . 18 1 1 A 11 11 SER CA C 11 56.000 61.037 -5.037 1
1 56 . 18 1 1 A 11 11 SER CB C 11 66.000 62.675 3.325 1
1 57 . 18 1 1 A 11 11 SER N N 11 112.000 114.340 -2.340 1
1 58 . 18 1 1 A 12 12 ARG C C 12 174.000 176.672 -2.672 1
1 59 . 18 1 1 A 12 12 ARG CA C 12 54.000 58.048 -4.048 1
1 60 . 18 1 1 A 12 12 ARG CB C 12 34.000 29.523 4.477 1
1 65 . 18 1 1 A 13 13 TYR C C 13 174.000 177.941 -3.941 1
1 66 . 18 1 1 A 13 13 TYR CA C 13 55.000 59.575 -4.575 1
1 67 . 18 1 1 A 13 13 TYR CB C 13 44.000 38.816 5.184 1
1 74 . 18 1 1 A 14 14 ARG C C 14 174.000 178.312 -4.312 1
1 75 . 18 1 1 A 14 14 ARG CA C 14 54.000 58.304 -4.304 1
1 76 . 18 1 1 A 14 14 ARG CB C 14 35.000 30.573 4.427 1
1 81 . 18 1 1 A 15 15 LYS C C 15 174.000 179.650 -5.650 1
1 82 . 18 1 1 A 15 15 LYS CA C 15 54.000 59.698 -5.698 1
1 83 . 18 1 1 A 15 15 LYS CB C 15 36.000 32.214 3.786 1
1 88 . 18 1 1 A 16 16 GLN C C 16 174.000 178.796 -4.796 1
1 89 . 18 1 1 A 16 16 GLN CA C 16 54.000 59.211 -5.211 1
1 90 . 18 1 1 A 16 16 GLN CB C 16 30.000 28.127 1.873 1
1 93 . 18 1 1 A 17 17 MET C C 17 174.000 178.716 -4.716 1
1 94 . 18 1 1 A 17 17 MET CA C 17 54.000 57.978 -3.978 1
1 95 . 18 1 1 A 17 17 MET CB C 17 35.000 32.338 2.662 1
1 96 . 18 1 1 A 18 18 ALA C C 18 175.000 180.045 -5.045 1
1 97 . 18 1 1 A 18 18 ALA CA C 18 51.000 55.112 -4.112 1
1 98 . 18 1 1 A 18 18 ALA CB C 18 23.000 18.502 4.498 1
1 99 . 18 1 1 A 19 19 VAL C C 19 174.000 177.968 -3.968 1
1 100 . 18 1 1 A 19 19 VAL CA C 19 60.400 67.060 -6.660 1
1 101 . 18 1 1 A 19 19 VAL CB C 19 35.000 31.620 3.380 1
1 104 . 18 1 1 A 19 19 VAL N N 19 122.000 118.254 3.746 1
1 6 . 19 1 1 A 2 2 SER C C 2 173.000 172.361 0.639 1
1 7 . 19 1 1 A 2 2 SER CA C 2 56.000 59.381 -3.381 1
1 8 . 19 1 1 A 2 2 SER CB C 2 66.000 61.139 4.861 1
1 9 . 19 1 1 A 2 2 SER N N 2 112.000 113.404 -1.404 1
1 10 . 19 1 1 A 3 3 ASP C C 3 174.000 176.059 -2.059 1
1 11 . 19 1 1 A 3 3 ASP CA C 3 53.000 52.464 0.536 1
1 12 . 19 1 1 A 3 3 ASP CB C 3 45.000 41.097 3.903 1
1 14 . 19 1 1 A 4 4 GLY C C 4 171.000 175.289 -4.289 1
1 15 . 19 1 1 A 4 4 GLY CA C 4 45.000 47.213 -2.213 1
1 16 . 19 1 1 A 4 4 GLY N N 4 108.000 114.088 -6.088 1
1 17 . 19 1 1 A 5 5 ILE C C 5 174.000 175.339 -1.339 1
1 18 . 19 1 1 A 5 5 ILE CA C 5 59.000 63.161 -4.161 1
1 19 . 19 1 1 A 5 5 ILE CB C 5 42.000 37.941 4.059 1
1 23 . 19 1 1 A 5 5 ILE N N 5 120.000 126.104 -6.104 1
1 24 . 19 1 1 A 6 6 PHE C C 6 174.000 174.794 -0.794 1
1 25 . 19 1 1 A 6 6 PHE CA C 6 56.000 55.994 0.006 1
1 26 . 19 1 1 A 6 6 PHE CB C 6 44.000 37.326 6.674 1
1 31 . 19 1 1 A 6 6 PHE N N 6 126.000 119.127 6.873 1
1 32 . 19 1 1 A 7 7 THR C C 7 174.000 173.231 0.769 1
1 33 . 19 1 1 A 7 7 THR CA C 7 59.600 60.396 -0.796 1
1 34 . 19 1 1 A 7 7 THR CB C 7 71.000 69.998 1.002 1
1 36 . 19 1 1 A 8 8 ASP C C 8 174.000 177.768 -3.768 1
1 37 . 19 1 1 A 8 8 ASP CA C 8 53.000 56.019 -3.019 1
1 38 . 19 1 1 A 8 8 ASP CB C 8 45.000 41.758 3.242 1
1 40 . 19 1 1 A 8 8 ASP N N 8 122.000 125.194 -3.194 1
1 41 . 19 1 1 A 9 9 SER C C 9 173.000 176.248 -3.248 1
1 42 . 19 1 1 A 9 9 SER CA C 9 56.000 61.649 -5.649 1
1 43 . 19 1 1 A 9 9 SER CB C 9 66.000 62.490 3.510 1
1 44 . 19 1 1 A 9 9 SER N N 9 112.000 114.456 -2.456 1
1 45 . 19 1 1 A 10 10 TYR C C 10 174.000 177.446 -3.446 1
1 46 . 19 1 1 A 10 10 TYR CA C 10 55.000 61.908 -6.908 1
1 47 . 19 1 1 A 10 10 TYR CB C 10 44.000 38.123 5.877 1
1 54 . 19 1 1 A 11 11 SER C C 11 173.000 176.298 -3.298 1
1 55 . 19 1 1 A 11 11 SER CA C 11 56.000 61.095 -5.095 1
1 56 . 19 1 1 A 11 11 SER CB C 11 66.000 62.715 3.285 1
1 57 . 19 1 1 A 11 11 SER N N 11 112.000 114.874 -2.874 1
1 58 . 19 1 1 A 12 12 ARG C C 12 174.000 176.669 -2.669 1
1 59 . 19 1 1 A 12 12 ARG CA C 12 54.000 57.956 -3.956 1
1 60 . 19 1 1 A 12 12 ARG CB C 12 34.000 29.449 4.551 1
1 65 . 19 1 1 A 13 13 TYR C C 13 174.000 177.244 -3.244 1
1 66 . 19 1 1 A 13 13 TYR CA C 13 55.000 59.613 -4.613 1
1 67 . 19 1 1 A 13 13 TYR CB C 13 44.000 39.058 4.942 1
1 74 . 19 1 1 A 14 14 ARG C C 14 174.000 178.066 -4.066 1
1 75 . 19 1 1 A 14 14 ARG CA C 14 54.000 57.097 -3.097 1
1 76 . 19 1 1 A 14 14 ARG CB C 14 35.000 31.712 3.288 1
1 81 . 19 1 1 A 15 15 LYS C C 15 174.000 178.426 -4.426 1
1 82 . 19 1 1 A 15 15 LYS CA C 15 54.000 59.380 -5.380 1
1 83 . 19 1 1 A 15 15 LYS CB C 15 36.000 32.070 3.930 1
1 88 . 19 1 1 A 16 16 GLN C C 16 174.000 178.556 -4.556 1
1 89 . 19 1 1 A 16 16 GLN CA C 16 54.000 59.004 -5.004 1
1 90 . 19 1 1 A 16 16 GLN CB C 16 30.000 28.369 1.631 1
1 93 . 19 1 1 A 17 17 MET C C 17 174.000 178.712 -4.712 1
1 94 . 19 1 1 A 17 17 MET CA C 17 54.000 58.323 -4.323 1
1 95 . 19 1 1 A 17 17 MET CB C 17 35.000 32.256 2.744 1
1 96 . 19 1 1 A 18 18 ALA C C 18 175.000 180.034 -5.034 1
1 97 . 19 1 1 A 18 18 ALA CA C 18 51.000 55.146 -4.146 1
1 98 . 19 1 1 A 18 18 ALA CB C 18 23.000 18.514 4.486 1
1 99 . 19 1 1 A 19 19 VAL C C 19 174.000 177.753 -3.753 1
1 100 . 19 1 1 A 19 19 VAL CA C 19 60.400 67.074 -6.674 1
1 101 . 19 1 1 A 19 19 VAL CB C 19 35.000 31.591 3.409 1
1 104 . 19 1 1 A 19 19 VAL N N 19 122.000 118.336 3.664 1
1 6 . 20 1 1 A 2 2 SER C C 2 173.000 173.098 -0.098 1
1 7 . 20 1 1 A 2 2 SER CA C 2 56.000 57.285 -1.285 1
1 8 . 20 1 1 A 2 2 SER CB C 2 66.000 63.964 2.036 1
1 9 . 20 1 1 A 2 2 SER N N 2 112.000 111.277 0.723 1
1 10 . 20 1 1 A 3 3 ASP C C 3 174.000 176.171 -2.171 1
1 11 . 20 1 1 A 3 3 ASP CA C 3 53.000 52.477 0.523 1
1 12 . 20 1 1 A 3 3 ASP CB C 3 45.000 41.357 3.643 1
1 14 . 20 1 1 A 4 4 GLY C C 4 171.000 175.275 -4.275 1
1 15 . 20 1 1 A 4 4 GLY CA C 4 45.000 47.191 -2.191 1
1 16 . 20 1 1 A 4 4 GLY N N 4 108.000 113.765 -5.765 1
1 17 . 20 1 1 A 5 5 ILE C C 5 174.000 175.310 -1.310 1
1 18 . 20 1 1 A 5 5 ILE CA C 5 59.000 63.122 -4.122 1
1 19 . 20 1 1 A 5 5 ILE CB C 5 42.000 37.898 4.102 1
1 23 . 20 1 1 A 5 5 ILE N N 5 120.000 126.089 -6.089 1
1 24 . 20 1 1 A 6 6 PHE C C 6 174.000 174.766 -0.766 1
1 25 . 20 1 1 A 6 6 PHE CA C 6 56.000 56.012 -0.012 1
1 26 . 20 1 1 A 6 6 PHE CB C 6 44.000 37.289 6.711 1
1 31 . 20 1 1 A 6 6 PHE N N 6 126.000 119.110 6.890 1
1 32 . 20 1 1 A 7 7 THR C C 7 174.000 173.275 0.725 1
1 33 . 20 1 1 A 7 7 THR CA C 7 59.600 60.388 -0.788 1
1 34 . 20 1 1 A 7 7 THR CB C 7 71.000 69.975 1.025 1
1 36 . 20 1 1 A 8 8 ASP C C 8 174.000 177.771 -3.771 1
1 37 . 20 1 1 A 8 8 ASP CA C 8 53.000 56.069 -3.069 1
1 38 . 20 1 1 A 8 8 ASP CB C 8 45.000 41.757 3.243 1
1 40 . 20 1 1 A 8 8 ASP N N 8 122.000 125.189 -3.189 1
1 41 . 20 1 1 A 9 9 SER C C 9 173.000 176.249 -3.249 1
1 42 . 20 1 1 A 9 9 SER CA C 9 56.000 61.649 -5.649 1
1 43 . 20 1 1 A 9 9 SER CB C 9 66.000 62.490 3.510 1
1 44 . 20 1 1 A 9 9 SER N N 9 112.000 114.454 -2.454 1
1 45 . 20 1 1 A 10 10 TYR C C 10 174.000 177.616 -3.616 1
1 46 . 20 1 1 A 10 10 TYR CA C 10 55.000 61.903 -6.903 1
1 47 . 20 1 1 A 10 10 TYR CB C 10 44.000 38.110 5.890 1
1 54 . 20 1 1 A 11 11 SER C C 11 173.000 176.179 -3.179 1
1 55 . 20 1 1 A 11 11 SER CA C 11 56.000 61.067 -5.067 1
1 56 . 20 1 1 A 11 11 SER CB C 11 66.000 62.721 3.279 1
1 57 . 20 1 1 A 11 11 SER N N 11 112.000 114.855 -2.855 1
1 58 . 20 1 1 A 12 12 ARG C C 12 174.000 177.012 -3.012 1
1 59 . 20 1 1 A 12 12 ARG CA C 12 54.000 58.061 -4.061 1
1 60 . 20 1 1 A 12 12 ARG CB C 12 34.000 29.506 4.494 1
1 65 . 20 1 1 A 13 13 TYR C C 13 174.000 177.878 -3.878 1
1 66 . 20 1 1 A 13 13 TYR CA C 13 55.000 59.769 -4.769 1
1 67 . 20 1 1 A 13 13 TYR CB C 13 44.000 38.337 5.663 1
1 74 . 20 1 1 A 14 14 ARG C C 14 174.000 178.185 -4.185 1
1 75 . 20 1 1 A 14 14 ARG CA C 14 54.000 58.215 -4.215 1
1 76 . 20 1 1 A 14 14 ARG CB C 14 35.000 30.660 4.340 1
1 81 . 20 1 1 A 15 15 LYS C C 15 174.000 179.437 -5.437 1
1 82 . 20 1 1 A 15 15 LYS CA C 15 54.000 59.919 -5.919 1
1 83 . 20 1 1 A 15 15 LYS CB C 15 36.000 32.213 3.787 1
1 88 . 20 1 1 A 16 16 GLN C C 16 174.000 178.700 -4.700 1
1 89 . 20 1 1 A 16 16 GLN CA C 16 54.000 59.060 -5.060 1
1 90 . 20 1 1 A 16 16 GLN CB C 16 30.000 28.052 1.948 1
1 93 . 20 1 1 A 17 17 MET C C 17 174.000 178.710 -4.710 1
1 94 . 20 1 1 A 17 17 MET CA C 17 54.000 58.176 -4.176 1
1 95 . 20 1 1 A 17 17 MET CB C 17 35.000 32.309 2.691 1
1 96 . 20 1 1 A 18 18 ALA C C 18 175.000 179.949 -4.949 1
1 97 . 20 1 1 A 18 18 ALA CA C 18 51.000 55.241 -4.241 1
1 98 . 20 1 1 A 18 18 ALA CB C 18 23.000 18.513 4.487 1
1 99 . 20 1 1 A 19 19 VAL C C 19 174.000 177.831 -3.831 1
1 100 . 20 1 1 A 19 19 VAL CA C 19 60.400 67.010 -6.610 1
1 101 . 20 1 1 A 19 19 VAL CB C 19 35.000 31.576 3.424 1
1 104 . 20 1 1 A 19 19 VAL N N 19 122.000 118.239 3.761 1
1 6 . 21 1 1 A 2 2 SER C C 2 173.000 172.543 0.457 1
1 7 . 21 1 1 A 2 2 SER CA C 2 56.000 60.250 -4.250 1
1 8 . 21 1 1 A 2 2 SER CB C 2 66.000 62.106 3.894 1
1 9 . 21 1 1 A 2 2 SER N N 2 112.000 113.205 -1.205 1
1 10 . 21 1 1 A 3 3 ASP C C 3 174.000 176.100 -2.100 1
1 11 . 21 1 1 A 3 3 ASP CA C 3 53.000 53.228 -0.228 1
1 12 . 21 1 1 A 3 3 ASP CB C 3 45.000 41.014 3.986 1
1 14 . 21 1 1 A 4 4 GLY C C 4 171.000 175.410 -4.410 1
1 15 . 21 1 1 A 4 4 GLY CA C 4 45.000 47.355 -2.355 1
1 16 . 21 1 1 A 4 4 GLY N N 4 108.000 114.835 -6.835 1
1 17 . 21 1 1 A 5 5 ILE C C 5 174.000 176.061 -2.061 1
1 18 . 21 1 1 A 5 5 ILE CA C 5 59.000 63.011 -4.011 1
1 19 . 21 1 1 A 5 5 ILE CB C 5 42.000 38.023 3.977 1
1 23 . 21 1 1 A 5 5 ILE N N 5 120.000 126.270 -6.270 1
1 24 . 21 1 1 A 6 6 PHE C C 6 174.000 174.703 -0.703 1
1 25 . 21 1 1 A 6 6 PHE CA C 6 56.000 56.108 -0.108 1
1 26 . 21 1 1 A 6 6 PHE CB C 6 44.000 37.940 6.060 1
1 31 . 21 1 1 A 6 6 PHE N N 6 126.000 118.531 7.469 1
1 32 . 21 1 1 A 7 7 THR C C 7 174.000 173.405 0.595 1
1 33 . 21 1 1 A 7 7 THR CA C 7 59.600 60.294 -0.694 1
1 34 . 21 1 1 A 7 7 THR CB C 7 71.000 70.146 0.854 1
1 36 . 21 1 1 A 8 8 ASP C C 8 174.000 177.804 -3.804 1
1 37 . 21 1 1 A 8 8 ASP CA C 8 53.000 56.172 -3.172 1
1 38 . 21 1 1 A 8 8 ASP CB C 8 45.000 41.701 3.299 1
1 40 . 21 1 1 A 8 8 ASP N N 8 122.000 125.515 -3.515 1
1 41 . 21 1 1 A 9 9 SER C C 9 173.000 176.500 -3.500 1
1 42 . 21 1 1 A 9 9 SER CA C 9 56.000 61.989 -5.989 1
1 43 . 21 1 1 A 9 9 SER CB C 9 66.000 62.855 3.145 1
1 44 . 21 1 1 A 9 9 SER N N 9 112.000 114.647 -2.647 1
1 45 . 21 1 1 A 10 10 TYR C C 10 174.000 177.506 -3.506 1
1 46 . 21 1 1 A 10 10 TYR CA C 10 55.000 61.778 -6.778 1
1 47 . 21 1 1 A 10 10 TYR CB C 10 44.000 38.188 5.812 1
1 54 . 21 1 1 A 11 11 SER C C 11 173.000 175.878 -2.878 1
1 55 . 21 1 1 A 11 11 SER CA C 11 56.000 60.544 -4.544 1
1 56 . 21 1 1 A 11 11 SER CB C 11 66.000 62.686 3.314 1
1 57 . 21 1 1 A 11 11 SER N N 11 112.000 114.445 -2.445 1
1 58 . 21 1 1 A 12 12 ARG C C 12 174.000 178.232 -4.232 1
1 59 . 21 1 1 A 12 12 ARG CA C 12 54.000 58.022 -4.022 1
1 60 . 21 1 1 A 12 12 ARG CB C 12 34.000 30.267 3.733 1
1 65 . 21 1 1 A 13 13 TYR C C 13 174.000 177.773 -3.773 1
1 66 . 21 1 1 A 13 13 TYR CA C 13 55.000 61.348 -6.348 1
1 67 . 21 1 1 A 13 13 TYR CB C 13 44.000 38.497 5.503 1
1 74 . 21 1 1 A 14 14 ARG C C 14 174.000 178.298 -4.298 1
1 75 . 21 1 1 A 14 14 ARG CA C 14 54.000 59.034 -5.034 1
1 76 . 21 1 1 A 14 14 ARG CB C 14 35.000 29.956 5.044 1
1 81 . 21 1 1 A 15 15 LYS C C 15 174.000 179.473 -5.473 1
1 82 . 21 1 1 A 15 15 LYS CA C 15 54.000 59.825 -5.825 1
1 83 . 21 1 1 A 15 15 LYS CB C 15 36.000 32.063 3.937 1
1 88 . 21 1 1 A 16 16 GLN C C 16 174.000 178.952 -4.952 1
1 89 . 21 1 1 A 16 16 GLN CA C 16 54.000 59.186 -5.186 1
1 90 . 21 1 1 A 16 16 GLN CB C 16 30.000 28.338 1.662 1
1 93 . 21 1 1 A 17 17 MET C C 17 174.000 178.798 -4.798 1
1 94 . 21 1 1 A 17 17 MET CA C 17 54.000 58.094 -4.094 1
1 95 . 21 1 1 A 17 17 MET CB C 17 35.000 32.589 2.411 1
1 96 . 21 1 1 A 18 18 ALA C C 18 175.000 179.987 -4.987 1
1 97 . 21 1 1 A 18 18 ALA CA C 18 51.000 55.293 -4.293 1
1 98 . 21 1 1 A 18 18 ALA CB C 18 23.000 18.546 4.454 1
1 99 . 21 1 1 A 19 19 VAL C C 19 174.000 177.940 -3.940 1
1 100 . 21 1 1 A 19 19 VAL CA C 19 60.400 67.139 -6.739 1
1 101 . 21 1 1 A 19 19 VAL CB C 19 35.000 31.628 3.372 1
1 104 . 21 1 1 A 19 19 VAL N N 19 122.000 118.295 3.705 1
1 6 . 22 1 1 A 2 2 SER C C 2 173.000 172.445 0.555 1
1 7 . 22 1 1 A 2 2 SER CA C 2 56.000 58.994 -2.994 1
1 8 . 22 1 1 A 2 2 SER CB C 2 66.000 60.731 5.269 1
1 9 . 22 1 1 A 2 2 SER N N 2 112.000 111.227 0.773 1
1 10 . 22 1 1 A 3 3 ASP C C 3 174.000 176.173 -2.173 1
1 11 . 22 1 1 A 3 3 ASP CA C 3 53.000 52.578 0.422 1
1 12 . 22 1 1 A 3 3 ASP CB C 3 45.000 41.387 3.613 1
1 14 . 22 1 1 A 4 4 GLY C C 4 171.000 175.377 -4.377 1
1 15 . 22 1 1 A 4 4 GLY CA C 4 45.000 47.333 -2.333 1
1 16 . 22 1 1 A 4 4 GLY N N 4 108.000 114.252 -6.252 1
1 17 . 22 1 1 A 5 5 ILE C C 5 174.000 175.385 -1.385 1
1 18 . 22 1 1 A 5 5 ILE CA C 5 59.000 63.257 -4.257 1
1 19 . 22 1 1 A 5 5 ILE CB C 5 42.000 37.779 4.221 1
1 23 . 22 1 1 A 5 5 ILE N N 5 120.000 126.223 -6.223 1
1 24 . 22 1 1 A 6 6 PHE C C 6 174.000 174.737 -0.737 1
1 25 . 22 1 1 A 6 6 PHE CA C 6 56.000 55.969 0.031 1
1 26 . 22 1 1 A 6 6 PHE CB C 6 44.000 37.074 6.926 1
1 31 . 22 1 1 A 6 6 PHE N N 6 126.000 119.118 6.882 1
1 32 . 22 1 1 A 7 7 THR C C 7 174.000 173.287 0.713 1
1 33 . 22 1 1 A 7 7 THR CA C 7 59.600 60.207 -0.607 1
1 34 . 22 1 1 A 7 7 THR CB C 7 71.000 69.975 1.025 1
1 36 . 22 1 1 A 8 8 ASP C C 8 174.000 177.910 -3.910 1
1 37 . 22 1 1 A 8 8 ASP CA C 8 53.000 56.201 -3.201 1
1 38 . 22 1 1 A 8 8 ASP CB C 8 45.000 41.810 3.190 1
1 40 . 22 1 1 A 8 8 ASP N N 8 122.000 125.062 -3.062 1
1 41 . 22 1 1 A 9 9 SER C C 9 173.000 176.446 -3.446 1
1 42 . 22 1 1 A 9 9 SER CA C 9 56.000 61.807 -5.807 1
1 43 . 22 1 1 A 9 9 SER CB C 9 66.000 62.920 3.080 1
1 44 . 22 1 1 A 9 9 SER N N 9 112.000 114.487 -2.487 1
1 45 . 22 1 1 A 10 10 TYR C C 10 174.000 177.432 -3.432 1
1 46 . 22 1 1 A 10 10 TYR CA C 10 55.000 61.773 -6.773 1
1 47 . 22 1 1 A 10 10 TYR CB C 10 44.000 38.075 5.925 1
1 54 . 22 1 1 A 11 11 SER C C 11 173.000 176.013 -3.013 1
1 55 . 22 1 1 A 11 11 SER CA C 11 56.000 60.620 -4.620 1
1 56 . 22 1 1 A 11 11 SER CB C 11 66.000 62.926 3.074 1
1 57 . 22 1 1 A 11 11 SER N N 11 112.000 114.829 -2.829 1
1 58 . 22 1 1 A 12 12 ARG C C 12 174.000 177.946 -3.946 1
1 59 . 22 1 1 A 12 12 ARG CA C 12 54.000 58.035 -4.035 1
1 60 . 22 1 1 A 12 12 ARG CB C 12 34.000 30.316 3.684 1
1 65 . 22 1 1 A 13 13 TYR C C 13 174.000 177.828 -3.828 1
1 66 . 22 1 1 A 13 13 TYR CA C 13 55.000 61.069 -6.069 1
1 67 . 22 1 1 A 13 13 TYR CB C 13 44.000 38.342 5.658 1
1 74 . 22 1 1 A 14 14 ARG C C 14 174.000 178.178 -4.178 1
1 75 . 22 1 1 A 14 14 ARG CA C 14 54.000 58.991 -4.991 1
1 76 . 22 1 1 A 14 14 ARG CB C 14 35.000 29.823 5.177 1
1 81 . 22 1 1 A 15 15 LYS C C 15 174.000 179.488 -5.488 1
1 82 . 22 1 1 A 15 15 LYS CA C 15 54.000 59.751 -5.751 1
1 83 . 22 1 1 A 15 15 LYS CB C 15 36.000 32.036 3.964 1
1 88 . 22 1 1 A 16 16 GLN C C 16 174.000 178.923 -4.923 1
1 89 . 22 1 1 A 16 16 GLN CA C 16 54.000 59.168 -5.168 1
1 90 . 22 1 1 A 16 16 GLN CB C 16 30.000 28.288 1.712 1
1 93 . 22 1 1 A 17 17 MET C C 17 174.000 178.779 -4.779 1
1 94 . 22 1 1 A 17 17 MET CA C 17 54.000 58.292 -4.292 1
1 95 . 22 1 1 A 17 17 MET CB C 17 35.000 32.443 2.557 1
1 96 . 22 1 1 A 18 18 ALA C C 18 175.000 180.069 -5.069 1
1 97 . 22 1 1 A 18 18 ALA CA C 18 51.000 55.264 -4.264 1
1 98 . 22 1 1 A 18 18 ALA CB C 18 23.000 18.518 4.482 1
1 99 . 22 1 1 A 19 19 VAL C C 19 174.000 177.997 -3.997 1
1 100 . 22 1 1 A 19 19 VAL CA C 19 60.400 67.086 -6.686 1
1 101 . 22 1 1 A 19 19 VAL CB C 19 35.000 31.600 3.400 1
1 104 . 22 1 1 A 19 19 VAL N N 19 122.000 118.272 3.728 1
1 6 . 23 1 1 A 2 2 SER C C 2 173.000 172.409 0.591 1
1 7 . 23 1 1 A 2 2 SER CA C 2 56.000 60.090 -4.090 1
1 8 . 23 1 1 A 2 2 SER CB C 2 66.000 62.106 3.894 1
1 9 . 23 1 1 A 2 2 SER N N 2 112.000 113.114 -1.114 1
1 10 . 23 1 1 A 3 3 ASP C C 3 174.000 175.929 -1.929 1
1 11 . 23 1 1 A 3 3 ASP CA C 3 53.000 53.335 -0.335 1
1 12 . 23 1 1 A 3 3 ASP CB C 3 45.000 40.965 4.035 1
1 14 . 23 1 1 A 4 4 GLY C C 4 171.000 175.234 -4.234 1
1 15 . 23 1 1 A 4 4 GLY CA C 4 45.000 47.218 -2.218 1
1 16 . 23 1 1 A 4 4 GLY N N 4 108.000 114.788 -6.788 1
1 17 . 23 1 1 A 5 5 ILE C C 5 174.000 175.355 -1.355 1
1 18 . 23 1 1 A 5 5 ILE CA C 5 59.000 62.999 -3.999 1
1 19 . 23 1 1 A 5 5 ILE CB C 5 42.000 38.012 3.988 1
1 23 . 23 1 1 A 5 5 ILE N N 5 120.000 126.120 -6.120 1
1 24 . 23 1 1 A 6 6 PHE C C 6 174.000 174.779 -0.779 1
1 25 . 23 1 1 A 6 6 PHE CA C 6 56.000 55.941 0.059 1
1 26 . 23 1 1 A 6 6 PHE CB C 6 44.000 37.180 6.820 1
1 31 . 23 1 1 A 6 6 PHE N N 6 126.000 119.123 6.877 1
1 32 . 23 1 1 A 7 7 THR C C 7 174.000 173.344 0.656 1
1 33 . 23 1 1 A 7 7 THR CA C 7 59.600 60.367 -0.767 1
1 34 . 23 1 1 A 7 7 THR CB C 7 71.000 69.921 1.079 1
1 36 . 23 1 1 A 8 8 ASP C C 8 174.000 177.743 -3.743 1
1 37 . 23 1 1 A 8 8 ASP CA C 8 53.000 56.053 -3.053 1
1 38 . 23 1 1 A 8 8 ASP CB C 8 45.000 41.744 3.256 1
1 40 . 23 1 1 A 8 8 ASP N N 8 122.000 125.957 -3.957 1
1 41 . 23 1 1 A 9 9 SER C C 9 173.000 176.231 -3.231 1
1 42 . 23 1 1 A 9 9 SER CA C 9 56.000 61.714 -5.714 1
1 43 . 23 1 1 A 9 9 SER CB C 9 66.000 62.699 3.301 1
1 44 . 23 1 1 A 9 9 SER N N 9 112.000 114.204 -2.204 1
1 45 . 23 1 1 A 10 10 TYR C C 10 174.000 177.530 -3.530 1
1 46 . 23 1 1 A 10 10 TYR CA C 10 55.000 61.898 -6.898 1
1 47 . 23 1 1 A 10 10 TYR CB C 10 44.000 38.143 5.857 1
1 54 . 23 1 1 A 11 11 SER C C 11 173.000 176.203 -3.203 1
1 55 . 23 1 1 A 11 11 SER CA C 11 56.000 61.038 -5.038 1
1 56 . 23 1 1 A 11 11 SER CB C 11 66.000 62.683 3.317 1
1 57 . 23 1 1 A 11 11 SER N N 11 112.000 114.838 -2.838 1
1 58 . 23 1 1 A 12 12 ARG C C 12 174.000 176.667 -2.667 1
1 59 . 23 1 1 A 12 12 ARG CA C 12 54.000 58.052 -4.052 1
1 60 . 23 1 1 A 12 12 ARG CB C 12 34.000 29.541 4.459 1
1 65 . 23 1 1 A 13 13 TYR C C 13 174.000 177.972 -3.972 1
1 66 . 23 1 1 A 13 13 TYR CA C 13 55.000 59.570 -4.570 1
1 67 . 23 1 1 A 13 13 TYR CB C 13 44.000 38.807 5.193 1
1 74 . 23 1 1 A 14 14 ARG C C 14 174.000 178.130 -4.130 1
1 75 . 23 1 1 A 14 14 ARG CA C 14 54.000 58.332 -4.332 1
1 76 . 23 1 1 A 14 14 ARG CB C 14 35.000 30.576 4.424 1
1 81 . 23 1 1 A 15 15 LYS C C 15 174.000 179.559 -5.559 1
1 82 . 23 1 1 A 15 15 LYS CA C 15 54.000 59.886 -5.886 1
1 83 . 23 1 1 A 15 15 LYS CB C 15 36.000 32.138 3.862 1
1 88 . 23 1 1 A 16 16 GLN C C 16 174.000 178.636 -4.636 1
1 89 . 23 1 1 A 16 16 GLN CA C 16 54.000 59.062 -5.062 1
1 90 . 23 1 1 A 16 16 GLN CB C 16 30.000 28.120 1.880 1
1 93 . 23 1 1 A 17 17 MET C C 17 174.000 178.711 -4.711 1
1 94 . 23 1 1 A 17 17 MET CA C 17 54.000 58.304 -4.304 1
1 95 . 23 1 1 A 17 17 MET CB C 17 35.000 32.248 2.752 1
1 96 . 23 1 1 A 18 18 ALA C C 18 175.000 179.943 -4.943 1
1 97 . 23 1 1 A 18 18 ALA CA C 18 51.000 55.177 -4.177 1
1 98 . 23 1 1 A 18 18 ALA CB C 18 23.000 18.422 4.578 1
1 99 . 23 1 1 A 19 19 VAL C C 19 174.000 177.990 -3.990 1
1 100 . 23 1 1 A 19 19 VAL CA C 19 60.400 67.106 -6.706 1
1 101 . 23 1 1 A 19 19 VAL CB C 19 35.000 31.578 3.422 1
1 104 . 23 1 1 A 19 19 VAL N N 19 122.000 118.253 3.747 1
1 6 . 24 1 1 A 2 2 SER C C 2 173.000 172.342 0.658 1
1 7 . 24 1 1 A 2 2 SER CA C 2 56.000 60.387 -4.387 1
1 8 . 24 1 1 A 2 2 SER CB C 2 66.000 62.046 3.954 1
1 9 . 24 1 1 A 2 2 SER N N 2 112.000 113.002 -1.002 1
1 10 . 24 1 1 A 3 3 ASP C C 3 174.000 176.060 -2.060 1
1 11 . 24 1 1 A 3 3 ASP CA C 3 53.000 53.305 -0.305 1
1 12 . 24 1 1 A 3 3 ASP CB C 3 45.000 41.019 3.981 1
1 14 . 24 1 1 A 4 4 GLY C C 4 171.000 175.320 -4.320 1
1 15 . 24 1 1 A 4 4 GLY CA C 4 45.000 47.324 -2.324 1
1 16 . 24 1 1 A 4 4 GLY N N 4 108.000 114.801 -6.801 1
1 17 . 24 1 1 A 5 5 ILE C C 5 174.000 176.232 -2.232 1
1 18 . 24 1 1 A 5 5 ILE CA C 5 59.000 62.797 -3.797 1
1 19 . 24 1 1 A 5 5 ILE CB C 5 42.000 38.166 3.834 1
1 23 . 24 1 1 A 5 5 ILE N N 5 120.000 126.592 -6.592 1
1 24 . 24 1 1 A 6 6 PHE C C 6 174.000 174.669 -0.669 1
1 25 . 24 1 1 A 6 6 PHE CA C 6 56.000 55.757 0.243 1
1 26 . 24 1 1 A 6 6 PHE CB C 6 44.000 38.416 5.584 1
1 31 . 24 1 1 A 6 6 PHE N N 6 126.000 121.728 4.272 1
1 32 . 24 1 1 A 7 7 THR C C 7 174.000 173.585 0.415 1
1 33 . 24 1 1 A 7 7 THR CA C 7 59.600 60.305 -0.705 1
1 34 . 24 1 1 A 7 7 THR CB C 7 71.000 70.099 0.901 1
1 36 . 24 1 1 A 8 8 ASP C C 8 174.000 177.826 -3.826 1
1 37 . 24 1 1 A 8 8 ASP CA C 8 53.000 56.455 -3.455 1
1 38 . 24 1 1 A 8 8 ASP CB C 8 45.000 41.408 3.592 1
1 40 . 24 1 1 A 8 8 ASP N N 8 122.000 125.270 -3.270 1
1 41 . 24 1 1 A 9 9 SER C C 9 173.000 176.446 -3.446 1
1 42 . 24 1 1 A 9 9 SER CA C 9 56.000 61.731 -5.731 1
1 43 . 24 1 1 A 9 9 SER CB C 9 66.000 62.752 3.248 1
1 44 . 24 1 1 A 9 9 SER N N 9 112.000 114.492 -2.492 1
1 45 . 24 1 1 A 10 10 TYR C C 10 174.000 178.031 -4.031 1
1 46 . 24 1 1 A 10 10 TYR CA C 10 55.000 61.242 -6.242 1
1 47 . 24 1 1 A 10 10 TYR CB C 10 44.000 37.971 6.029 1
1 54 . 24 1 1 A 11 11 SER C C 11 173.000 176.124 -3.124 1
1 55 . 24 1 1 A 11 11 SER CA C 11 56.000 60.708 -4.708 1
1 56 . 24 1 1 A 11 11 SER CB C 11 66.000 62.816 3.184 1
1 57 . 24 1 1 A 11 11 SER N N 11 112.000 116.013 -4.013 1
1 58 . 24 1 1 A 12 12 ARG C C 12 174.000 177.970 -3.970 1
1 59 . 24 1 1 A 12 12 ARG CA C 12 54.000 57.968 -3.968 1
1 60 . 24 1 1 A 12 12 ARG CB C 12 34.000 30.113 3.887 1
1 65 . 24 1 1 A 13 13 TYR C C 13 174.000 177.548 -3.548 1
1 66 . 24 1 1 A 13 13 TYR CA C 13 55.000 61.004 -6.004 1
1 67 . 24 1 1 A 13 13 TYR CB C 13 44.000 38.580 5.420 1
1 74 . 24 1 1 A 14 14 ARG C C 14 174.000 178.162 -4.162 1
1 75 . 24 1 1 A 14 14 ARG CA C 14 54.000 58.877 -4.877 1
1 76 . 24 1 1 A 14 14 ARG CB C 14 35.000 29.896 5.104 1
1 81 . 24 1 1 A 15 15 LYS C C 15 174.000 179.593 -5.593 1
1 82 . 24 1 1 A 15 15 LYS CA C 15 54.000 59.789 -5.789 1
1 83 . 24 1 1 A 15 15 LYS CB C 15 36.000 32.102 3.898 1
1 88 . 24 1 1 A 16 16 GLN C C 16 174.000 178.866 -4.866 1
1 89 . 24 1 1 A 16 16 GLN CA C 16 54.000 59.202 -5.202 1
1 90 . 24 1 1 A 16 16 GLN CB C 16 30.000 28.158 1.842 1
1 93 . 24 1 1 A 17 17 MET C C 17 174.000 178.771 -4.771 1
1 94 . 24 1 1 A 17 17 MET CA C 17 54.000 58.073 -4.073 1
1 95 . 24 1 1 A 17 17 MET CB C 17 35.000 32.435 2.565 1
1 96 . 24 1 1 A 18 18 ALA C C 18 175.000 180.064 -5.064 1
1 97 . 24 1 1 A 18 18 ALA CA C 18 51.000 55.216 -4.216 1
1 98 . 24 1 1 A 18 18 ALA CB C 18 23.000 18.544 4.456 1
1 99 . 24 1 1 A 19 19 VAL C C 19 174.000 177.921 -3.921 1
1 100 . 24 1 1 A 19 19 VAL CA C 19 60.400 67.081 -6.681 1
1 101 . 24 1 1 A 19 19 VAL CB C 19 35.000 31.592 3.408 1
1 104 . 24 1 1 A 19 19 VAL N N 19 122.000 118.261 3.739 1
1 6 . 25 1 1 A 2 2 SER C C 2 173.000 172.706 0.294 1
1 7 . 25 1 1 A 2 2 SER CA C 2 56.000 57.599 -1.599 1
1 8 . 25 1 1 A 2 2 SER CB C 2 66.000 67.531 -1.531 1
1 9 . 25 1 1 A 2 2 SER N N 2 112.000 122.456 -10.456 1
1 10 . 25 1 1 A 3 3 ASP C C 3 174.000 176.032 -2.032 1
1 11 . 25 1 1 A 3 3 ASP CA C 3 53.000 53.165 -0.165 1
1 12 . 25 1 1 A 3 3 ASP CB C 3 45.000 41.029 3.971 1
1 14 . 25 1 1 A 4 4 GLY C C 4 171.000 175.232 -4.232 1
1 15 . 25 1 1 A 4 4 GLY CA C 4 45.000 47.209 -2.209 1
1 16 . 25 1 1 A 4 4 GLY N N 4 108.000 114.713 -6.713 1
1 17 . 25 1 1 A 5 5 ILE C C 5 174.000 175.283 -1.283 1
1 18 . 25 1 1 A 5 5 ILE CA C 5 59.000 62.934 -3.934 1
1 19 . 25 1 1 A 5 5 ILE CB C 5 42.000 37.837 4.163 1
1 23 . 25 1 1 A 5 5 ILE N N 5 120.000 125.965 -5.965 1
1 24 . 25 1 1 A 6 6 PHE C C 6 174.000 174.761 -0.761 1
1 25 . 25 1 1 A 6 6 PHE CA C 6 56.000 55.926 0.074 1
1 26 . 25 1 1 A 6 6 PHE CB C 6 44.000 37.162 6.838 1
1 31 . 25 1 1 A 6 6 PHE N N 6 126.000 119.109 6.891 1
1 32 . 25 1 1 A 7 7 THR C C 7 174.000 173.243 0.757 1
1 33 . 25 1 1 A 7 7 THR CA C 7 59.600 60.391 -0.791 1
1 34 . 25 1 1 A 7 7 THR CB C 7 71.000 69.924 1.076 1
1 36 . 25 1 1 A 8 8 ASP C C 8 174.000 177.832 -3.832 1
1 37 . 25 1 1 A 8 8 ASP CA C 8 53.000 56.013 -3.013 1
1 38 . 25 1 1 A 8 8 ASP CB C 8 45.000 41.752 3.248 1
1 40 . 25 1 1 A 8 8 ASP N N 8 122.000 125.989 -3.989 1
1 41 . 25 1 1 A 9 9 SER C C 9 173.000 176.236 -3.236 1
1 42 . 25 1 1 A 9 9 SER CA C 9 56.000 61.648 -5.648 1
1 43 . 25 1 1 A 9 9 SER CB C 9 66.000 62.481 3.519 1
1 44 . 25 1 1 A 9 9 SER N N 9 112.000 114.087 -2.087 1
1 45 . 25 1 1 A 10 10 TYR C C 10 174.000 177.531 -3.531 1
1 46 . 25 1 1 A 10 10 TYR CA C 10 55.000 61.900 -6.900 1
1 47 . 25 1 1 A 10 10 TYR CB C 10 44.000 38.188 5.812 1
1 54 . 25 1 1 A 11 11 SER C C 11 173.000 176.211 -3.211 1
1 55 . 25 1 1 A 11 11 SER CA C 11 56.000 61.043 -5.043 1
1 56 . 25 1 1 A 11 11 SER CB C 11 66.000 62.712 3.288 1
1 57 . 25 1 1 A 11 11 SER N N 11 112.000 114.719 -2.719 1
1 58 . 25 1 1 A 12 12 ARG C C 12 174.000 176.811 -2.811 1
1 59 . 25 1 1 A 12 12 ARG CA C 12 54.000 58.060 -4.060 1
1 60 . 25 1 1 A 12 12 ARG CB C 12 34.000 29.509 4.491 1
1 65 . 25 1 1 A 13 13 TYR C C 13 174.000 177.973 -3.973 1
1 66 . 25 1 1 A 13 13 TYR CA C 13 55.000 59.653 -4.653 1
1 67 . 25 1 1 A 13 13 TYR CB C 13 44.000 38.772 5.228 1
1 74 . 25 1 1 A 14 14 ARG C C 14 174.000 178.130 -4.130 1
1 75 . 25 1 1 A 14 14 ARG CA C 14 54.000 58.389 -4.389 1
1 76 . 25 1 1 A 14 14 ARG CB C 14 35.000 30.566 4.434 1
1 81 . 25 1 1 A 15 15 LYS C C 15 174.000 179.707 -5.707 1
1 82 . 25 1 1 A 15 15 LYS CA C 15 54.000 59.683 -5.683 1
1 83 . 25 1 1 A 15 15 LYS CB C 15 36.000 32.204 3.796 1
1 88 . 25 1 1 A 16 16 GLN C C 16 174.000 178.742 -4.742 1
1 89 . 25 1 1 A 16 16 GLN CA C 16 54.000 59.097 -5.097 1
1 90 . 25 1 1 A 16 16 GLN CB C 16 30.000 28.086 1.914 1
1 93 . 25 1 1 A 17 17 MET C C 17 174.000 178.709 -4.709 1
1 94 . 25 1 1 A 17 17 MET CA C 17 54.000 58.251 -4.251 1
1 95 . 25 1 1 A 17 17 MET CB C 17 35.000 32.104 2.896 1
1 96 . 25 1 1 A 18 18 ALA C C 18 175.000 179.975 -4.975 1
1 97 . 25 1 1 A 18 18 ALA CA C 18 51.000 55.266 -4.266 1
1 98 . 25 1 1 A 18 18 ALA CB C 18 23.000 18.531 4.469 1
1 99 . 25 1 1 A 19 19 VAL C C 19 174.000 177.920 -3.920 1
1 100 . 25 1 1 A 19 19 VAL CA C 19 60.400 67.010 -6.610 1
1 101 . 25 1 1 A 19 19 VAL CB C 19 35.000 31.576 3.424 1
1 104 . 25 1 1 A 19 19 VAL N N 19 122.000 118.247 3.753 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 18 3.816 1
2 1 1 1 "RMS(OBS, PRED)" CA 18 4.596 1
3 1 1 1 "RMS(OBS, PRED)" CB 17 4.119 1
4 1 1 1 "RMS(OBS, PRED)" H 0 0.000 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 8 6.188 1
7 1 2 1 "RMS(OBS, PRED)" C 18 3.725 1
8 1 2 1 "RMS(OBS, PRED)" CA 18 4.428 1
9 1 2 1 "RMS(OBS, PRED)" CB 17 3.990 1
10 1 2 1 "RMS(OBS, PRED)" H 0 0.000 1
11 1 2 1 "RMS(OBS, PRED)" HA 0 0.000 1
12 1 2 1 "RMS(OBS, PRED)" N 8 5.881 1
13 1 3 1 "RMS(OBS, PRED)" C 18 3.700 1
14 1 3 1 "RMS(OBS, PRED)" CA 18 4.386 1
15 1 3 1 "RMS(OBS, PRED)" CB 17 4.021 1
16 1 3 1 "RMS(OBS, PRED)" H 0 0.000 1
17 1 3 1 "RMS(OBS, PRED)" HA 0 0.000 1
18 1 3 1 "RMS(OBS, PRED)" N 8 6.383 1
19 1 4 1 "RMS(OBS, PRED)" C 18 3.681 1
20 1 4 1 "RMS(OBS, PRED)" CA 18 4.474 1
21 1 4 1 "RMS(OBS, PRED)" CB 17 4.151 1
22 1 4 1 "RMS(OBS, PRED)" H 0 0.000 1
23 1 4 1 "RMS(OBS, PRED)" HA 0 0.000 1
24 1 4 1 "RMS(OBS, PRED)" N 8 4.981 1
25 1 5 1 "RMS(OBS, PRED)" C 18 3.774 1
26 1 5 1 "RMS(OBS, PRED)" CA 18 4.589 1
27 1 5 1 "RMS(OBS, PRED)" CB 17 4.129 1
28 1 5 1 "RMS(OBS, PRED)" H 0 0.000 1
29 1 5 1 "RMS(OBS, PRED)" HA 0 0.000 1
30 1 5 1 "RMS(OBS, PRED)" N 8 5.233 1
31 1 6 1 "RMS(OBS, PRED)" C 18 3.684 1
32 1 6 1 "RMS(OBS, PRED)" CA 18 4.519 1
33 1 6 1 "RMS(OBS, PRED)" CB 17 4.232 1
34 1 6 1 "RMS(OBS, PRED)" H 0 0.000 1
35 1 6 1 "RMS(OBS, PRED)" HA 0 0.000 1
36 1 6 1 "RMS(OBS, PRED)" N 8 4.745 1
37 1 7 1 "RMS(OBS, PRED)" C 18 3.545 1
38 1 7 1 "RMS(OBS, PRED)" CA 18 4.311 1
39 1 7 1 "RMS(OBS, PRED)" CB 17 4.048 1
40 1 7 1 "RMS(OBS, PRED)" H 0 0.000 1
41 1 7 1 "RMS(OBS, PRED)" HA 0 0.000 1
42 1 7 1 "RMS(OBS, PRED)" N 8 5.615 1
43 1 8 1 "RMS(OBS, PRED)" C 18 3.741 1
44 1 8 1 "RMS(OBS, PRED)" CA 18 4.700 1
45 1 8 1 "RMS(OBS, PRED)" CB 17 4.202 1
46 1 8 1 "RMS(OBS, PRED)" H 0 0.000 1
47 1 8 1 "RMS(OBS, PRED)" HA 0 0.000 1
48 1 8 1 "RMS(OBS, PRED)" N 8 5.140 1
49 1 9 1 "RMS(OBS, PRED)" C 18 3.446 1
50 1 9 1 "RMS(OBS, PRED)" CA 18 4.352 1
51 1 9 1 "RMS(OBS, PRED)" CB 17 4.134 1
52 1 9 1 "RMS(OBS, PRED)" H 0 0.000 1
53 1 9 1 "RMS(OBS, PRED)" HA 0 0.000 1
54 1 9 1 "RMS(OBS, PRED)" N 8 5.749 1
55 1 10 1 "RMS(OBS, PRED)" C 18 3.722 1
56 1 10 1 "RMS(OBS, PRED)" CA 18 4.404 1
57 1 10 1 "RMS(OBS, PRED)" CB 17 4.094 1
58 1 10 1 "RMS(OBS, PRED)" H 0 0.000 1
59 1 10 1 "RMS(OBS, PRED)" HA 0 0.000 1
60 1 10 1 "RMS(OBS, PRED)" N 8 4.580 1
61 1 11 1 "RMS(OBS, PRED)" C 18 3.708 1
62 1 11 1 "RMS(OBS, PRED)" CA 18 4.422 1
63 1 11 1 "RMS(OBS, PRED)" CB 17 4.193 1
64 1 11 1 "RMS(OBS, PRED)" H 0 0.000 1
65 1 11 1 "RMS(OBS, PRED)" HA 0 0.000 1
66 1 11 1 "RMS(OBS, PRED)" N 8 6.316 1
67 1 12 1 "RMS(OBS, PRED)" C 18 3.669 1
68 1 12 1 "RMS(OBS, PRED)" CA 18 4.414 1
69 1 12 1 "RMS(OBS, PRED)" CB 17 4.128 1
70 1 12 1 "RMS(OBS, PRED)" H 0 0.000 1
71 1 12 1 "RMS(OBS, PRED)" HA 0 0.000 1
72 1 12 1 "RMS(OBS, PRED)" N 8 6.320 1
73 1 13 1 "RMS(OBS, PRED)" C 18 3.564 1
74 1 13 1 "RMS(OBS, PRED)" CA 18 4.333 1
75 1 13 1 "RMS(OBS, PRED)" CB 17 4.014 1
76 1 13 1 "RMS(OBS, PRED)" H 0 0.000 1
77 1 13 1 "RMS(OBS, PRED)" HA 0 0.000 1
78 1 13 1 "RMS(OBS, PRED)" N 8 6.438 1
79 1 14 1 "RMS(OBS, PRED)" C 18 3.511 1
80 1 14 1 "RMS(OBS, PRED)" CA 18 4.327 1
81 1 14 1 "RMS(OBS, PRED)" CB 17 4.051 1
82 1 14 1 "RMS(OBS, PRED)" H 0 0.000 1
83 1 14 1 "RMS(OBS, PRED)" HA 0 0.000 1
84 1 14 1 "RMS(OBS, PRED)" N 8 5.897 1
85 1 15 1 "RMS(OBS, PRED)" C 18 3.724 1
86 1 15 1 "RMS(OBS, PRED)" CA 18 4.678 1
87 1 15 1 "RMS(OBS, PRED)" CB 17 4.260 1
88 1 15 1 "RMS(OBS, PRED)" H 0 0.000 1
89 1 15 1 "RMS(OBS, PRED)" HA 0 0.000 1
90 1 15 1 "RMS(OBS, PRED)" N 8 4.929 1
91 1 16 1 "RMS(OBS, PRED)" C 18 3.774 1
92 1 16 1 "RMS(OBS, PRED)" CA 18 4.546 1
93 1 16 1 "RMS(OBS, PRED)" CB 17 4.126 1
94 1 16 1 "RMS(OBS, PRED)" H 0 0.000 1
95 1 16 1 "RMS(OBS, PRED)" HA 0 0.000 1
96 1 16 1 "RMS(OBS, PRED)" N 8 5.617 1
97 1 17 1 "RMS(OBS, PRED)" C 18 3.702 1
98 1 17 1 "RMS(OBS, PRED)" CA 18 4.415 1
99 1 17 1 "RMS(OBS, PRED)" CB 17 4.053 1
100 1 17 1 "RMS(OBS, PRED)" H 0 0.000 1
101 1 17 1 "RMS(OBS, PRED)" HA 0 0.000 1
102 1 17 1 "RMS(OBS, PRED)" N 8 4.745 1
103 1 18 1 "RMS(OBS, PRED)" C 18 3.713 1
104 1 18 1 "RMS(OBS, PRED)" CA 18 4.458 1
105 1 18 1 "RMS(OBS, PRED)" CB 17 4.226 1
106 1 18 1 "RMS(OBS, PRED)" H 0 0.000 1
107 1 18 1 "RMS(OBS, PRED)" HA 0 0.000 1
108 1 18 1 "RMS(OBS, PRED)" N 8 5.050 1
109 1 19 1 "RMS(OBS, PRED)" C 18 3.512 1
110 1 19 1 "RMS(OBS, PRED)" CA 18 4.407 1
111 1 19 1 "RMS(OBS, PRED)" CB 17 4.201 1
112 1 19 1 "RMS(OBS, PRED)" H 0 0.000 1
113 1 19 1 "RMS(OBS, PRED)" HA 0 0.000 1
114 1 19 1 "RMS(OBS, PRED)" N 8 4.803 1
115 1 20 1 "RMS(OBS, PRED)" C 18 3.666 1
116 1 20 1 "RMS(OBS, PRED)" CA 18 4.444 1
117 1 20 1 "RMS(OBS, PRED)" CB 17 4.160 1
118 1 20 1 "RMS(OBS, PRED)" H 0 0.000 1
119 1 20 1 "RMS(OBS, PRED)" HA 0 0.000 1
120 1 20 1 "RMS(OBS, PRED)" N 8 4.733 1
121 1 21 1 "RMS(OBS, PRED)" C 18 3.796 1
122 1 21 1 "RMS(OBS, PRED)" CA 18 4.703 1
123 1 21 1 "RMS(OBS, PRED)" CB 17 4.144 1
124 1 21 1 "RMS(OBS, PRED)" H 0 0.000 1
125 1 21 1 "RMS(OBS, PRED)" HA 0 0.000 1
126 1 21 1 "RMS(OBS, PRED)" N 8 5.104 1
127 1 22 1 "RMS(OBS, PRED)" C 18 3.771 1
128 1 22 1 "RMS(OBS, PRED)" CA 18 4.623 1
129 1 22 1 "RMS(OBS, PRED)" CB 17 4.338 1
130 1 22 1 "RMS(OBS, PRED)" H 0 0.000 1
131 1 22 1 "RMS(OBS, PRED)" HA 0 0.000 1
132 1 22 1 "RMS(OBS, PRED)" N 8 4.829 1
133 1 23 1 "RMS(OBS, PRED)" C 18 3.654 1
134 1 23 1 "RMS(OBS, PRED)" CA 18 4.541 1
135 1 23 1 "RMS(OBS, PRED)" CB 17 4.235 1
136 1 23 1 "RMS(OBS, PRED)" H 0 0.000 1
137 1 23 1 "RMS(OBS, PRED)" HA 0 0.000 1
138 1 23 1 "RMS(OBS, PRED)" N 8 4.995 1
139 1 24 1 "RMS(OBS, PRED)" C 18 3.803 1
140 1 24 1 "RMS(OBS, PRED)" CA 18 4.607 1
141 1 24 1 "RMS(OBS, PRED)" CB 17 4.148 1
142 1 24 1 "RMS(OBS, PRED)" H 0 0.000 1
143 1 24 1 "RMS(OBS, PRED)" HA 0 0.000 1
144 1 24 1 "RMS(OBS, PRED)" N 8 4.720 1
145 1 25 1 "RMS(OBS, PRED)" C 18 3.686 1
146 1 25 1 "RMS(OBS, PRED)" CA 18 4.427 1
147 1 25 1 "RMS(OBS, PRED)" CB 17 4.155 1
148 1 25 1 "RMS(OBS, PRED)" H 0 0.000 1
149 1 25 1 "RMS(OBS, PRED)" HA 0 0.000 1
150 1 25 1 "RMS(OBS, PRED)" N 8 6.316 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 6 . 1 1 A 2 2 SER C C 2 173.000 172.593 0.407 2
1 7 . 1 1 A 2 2 SER CA C 2 56.000 58.409 -2.409 2
1 8 . 1 1 A 2 2 SER CB C 2 66.000 64.633 1.367 2
1 9 . 1 1 A 2 2 SER N N 2 112.000 116.748 -4.748 2
1 10 . 1 1 A 3 3 ASP C C 3 174.000 176.091 -2.091 2
1 11 . 1 1 A 3 3 ASP CA C 3 53.000 52.988 0.012 2
1 12 . 1 1 A 3 3 ASP CB C 3 45.000 41.128 3.872 2
1 14 . 1 1 A 4 4 GLY C C 4 171.000 175.300 -4.300 2
1 15 . 1 1 A 4 4 GLY CA C 4 45.000 47.252 -2.252 2
1 16 . 1 1 A 4 4 GLY N N 4 108.000 114.335 -6.335 2
1 17 . 1 1 A 5 5 ILE C C 5 174.000 175.623 -1.623 2
1 18 . 1 1 A 5 5 ILE CA C 5 59.000 63.037 -4.037 2
1 19 . 1 1 A 5 5 ILE CB C 5 42.000 37.957 4.043 2
1 23 . 1 1 A 5 5 ILE N N 5 120.000 126.138 -6.138 2
1 24 . 1 1 A 6 6 PHE C C 6 174.000 174.726 -0.726 2
1 25 . 1 1 A 6 6 PHE CA C 6 56.000 55.980 0.020 2
1 26 . 1 1 A 6 6 PHE CB C 6 44.000 37.479 6.521 2
1 31 . 1 1 A 6 6 PHE N N 6 126.000 118.959 7.041 2
1 32 . 1 1 A 7 7 THR C C 7 174.000 173.319 0.681 2
1 33 . 1 1 A 7 7 THR CA C 7 59.600 60.335 -0.735 2
1 34 . 1 1 A 7 7 THR CB C 7 71.000 69.976 1.024 2
1 36 . 1 1 A 8 8 ASP C C 8 174.000 177.849 -3.849 2
1 37 . 1 1 A 8 8 ASP CA C 8 53.000 56.113 -3.113 2
1 38 . 1 1 A 8 8 ASP CB C 8 45.000 41.723 3.277 2
1 40 . 1 1 A 8 8 ASP N N 8 122.000 125.440 -3.440 2
1 41 . 1 1 A 9 9 SER C C 9 173.000 176.281 -3.281 2
1 42 . 1 1 A 9 9 SER CA C 9 56.000 61.731 -5.731 2
1 43 . 1 1 A 9 9 SER CB C 9 66.000 62.608 3.392 2
1 44 . 1 1 A 9 9 SER N N 9 112.000 114.339 -2.339 2
1 45 . 1 1 A 10 10 TYR C C 10 174.000 177.578 -3.578 2
1 46 . 1 1 A 10 10 TYR CA C 10 55.000 61.824 -6.824 2
1 47 . 1 1 A 10 10 TYR CB C 10 44.000 38.136 5.864 2
1 54 . 1 1 A 11 11 SER C C 11 173.000 176.166 -3.166 2
1 55 . 1 1 A 11 11 SER CA C 11 56.000 60.942 -4.942 2
1 56 . 1 1 A 11 11 SER CB C 11 66.000 62.699 3.301 2
1 57 . 1 1 A 11 11 SER N N 11 112.000 114.735 -2.735 2
1 58 . 1 1 A 12 12 ARG C C 12 174.000 177.152 -3.152 2
1 59 . 1 1 A 12 12 ARG CA C 12 54.000 58.052 -4.052 2
1 60 . 1 1 A 12 12 ARG CB C 12 34.000 29.742 4.258 2
1 65 . 1 1 A 13 13 TYR C C 13 174.000 177.724 -3.724 2
1 66 . 1 1 A 13 13 TYR CA C 13 55.000 60.062 -5.062 2
1 67 . 1 1 A 13 13 TYR CB C 13 44.000 38.679 5.321 2
1 74 . 1 1 A 14 14 ARG C C 14 174.000 178.210 -4.210 2
1 75 . 1 1 A 14 14 ARG CA C 14 54.000 58.214 -4.214 2
1 76 . 1 1 A 14 14 ARG CB C 14 35.000 30.623 4.377 2
1 81 . 1 1 A 15 15 LYS C C 15 174.000 179.346 -5.346 2
1 82 . 1 1 A 15 15 LYS CA C 15 54.000 59.796 -5.796 2
1 83 . 1 1 A 15 15 LYS CB C 15 36.000 32.142 3.858 2
1 88 . 1 1 A 16 16 GLN C C 16 174.000 178.661 -4.661 2
1 89 . 1 1 A 16 16 GLN CA C 16 54.000 59.032 -5.032 2
1 90 . 1 1 A 16 16 GLN CB C 16 30.000 28.204 1.796 2
1 93 . 1 1 A 17 17 MET C C 17 174.000 178.705 -4.705 2
1 94 . 1 1 A 17 17 MET CA C 17 54.000 58.158 -4.158 2
1 95 . 1 1 A 17 17 MET CB C 17 35.000 32.337 2.663 2
1 96 . 1 1 A 18 18 ALA C C 18 175.000 180.005 -5.005 2
1 97 . 1 1 A 18 18 ALA CA C 18 51.000 55.209 -4.209 2
1 98 . 1 1 A 18 18 ALA CB C 18 23.000 18.507 4.493 2
1 99 . 1 1 A 19 19 VAL C C 19 174.000 177.960 -3.960 2
1 100 . 1 1 A 19 19 VAL CA C 19 60.400 67.057 -6.657 2
1 101 . 1 1 A 19 19 VAL CB C 19 35.000 31.590 3.410 2
1 104 . 1 1 A 19 19 VAL N N 19 122.000 118.268 3.732 2
stop_
save_