data_2xkm_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2xkm _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.501 2.97 0 CA-C-O 119.248 -0.751 . . . . 99.0 111.852 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 1' ' ' GLY . 6.0 p 170.28 146.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.414 0 C-N-CA 127.81 2.444 . . . . 99.0 113.946 -176.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.6 mt -132.4 175.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 128.99 2.916 . . . . 99.0 104.562 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -138.9 103.43 4.8 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 121.687 2.04 . . . . 99.0 111.191 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.421 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 91.8 m -106.27 40.9 1.51 Allowed 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 105.94 -1.874 . . . . 99.0 105.94 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -91.07 -40.19 11.76 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 110.643 -2.98 . . . . 99.0 105.627 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.35 -32.45 71.53 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 111.866 -2.425 . . . . 99.0 110.987 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.49 -41.12 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.572 -0.74 . . . . 99.0 109.742 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 5' ' ' THR . 96.2 mt-10 -60.36 -42.21 95.3 Favored 'General case' 0 C--O 1.253 1.251 0 C-N-CA 117.028 -1.869 . . . . 99.0 110.947 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -67.91 -40.62 83.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.721 -0.792 . . . . 99.0 111.972 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.64 -46.42 72.53 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 114.529 1.307 . . . . 99.0 114.529 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG21 HD13 ' A' ' 12' ' ' ILE . 58.5 mt -59.87 -35.32 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 121.823 0.82 . . . . 99.0 112.503 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -59.65 -41.85 91.47 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 116.823 -1.951 . . . . 99.0 107.97 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -59.1 -44.43 91.95 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 99.0 109.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.48 93.66 Favored Glycine 0 CA--C 1.499 -0.923 0 C-N-CA 118.64 -1.743 . . . . 99.0 109.513 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 63.8 mt-30 -59.22 -39.2 81.96 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 113.265 -1.468 . . . . 99.0 109.15 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -64.8 -48.34 73.09 Favored Glycine 0 N--CA 1.407 -3.283 0 CA-C-O 115.887 -2.618 . . . . 99.0 114.874 -177.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.382 1.98 2 CA-C-N 125.963 4.882 . . . . 99.0 112.279 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.8 mtp -63.09 -34.33 77.37 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 106.277 -1.749 . . . . 99.0 106.277 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 6.9 mmtp -62.16 -38.26 88.35 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 117.763 -1.575 . . . . 99.0 112.118 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -44.48 65.98 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 127.464 2.306 . . . . 99.0 110.012 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.663 HG23 HD12 ' A' ' 26' ' ' ILE . 6.1 mt -63.65 -45.5 97.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 114.917 -1.038 . . . . 99.0 108.461 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.55 -45.15 96.44 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 113.961 0.344 . . . . 99.0 113.961 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.0 -46.99 57.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 118.042 -2.028 . . . . 99.0 113.339 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.28 -39.15 93.77 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 120.78 -0.368 . . . . 99.0 110.596 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.663 HD12 HG23 ' A' ' 22' ' ' ILE . 10.9 mt -57.27 -47.95 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 122.68 1.229 . . . . 99.0 110.975 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 27' ' ' VAL . 17.1 t -58.48 -32.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 112.487 -2.142 . . . . 99.0 113.382 175.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.23 95.53 Favored Glycine 0 N--CA 1.431 -1.682 0 N-CA-C 110.441 -1.064 . . . . 99.0 110.441 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.96 -39.65 79.36 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.017 1.117 . . . . 99.0 114.017 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.07 -35.7 79.43 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 122.464 1.126 . . . . 99.0 109.062 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 ' O ' HG11 ' A' ' 31' ' ' VAL . 63.2 t -58.07 -34.13 48.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 C-N-CA 115.223 -2.591 . . . . 99.0 113.17 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -67.56 -40.93 85.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-N 121.685 2.039 . . . . 99.0 106.262 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' N ' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.84 -46.14 91.75 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.529 1.143 . . . . 99.0 111.09 178.098 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.98 -47.88 70.21 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 114.422 1.268 . . . . 99.0 114.422 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 35' ' ' VAL 0.262 59.3 t -66.86 -38.48 81.53 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.401 0 C-N-CA 115.337 -2.545 . . . . 99.0 114.703 178.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -37.97 89.38 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 122.499 2.408 . . . . 99.0 109.053 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.9 -45.93 94.64 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 120.103 -1.046 . . . . 99.0 112.346 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.4 mt -55.65 -37.06 67.75 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 117.704 -1.598 . . . . 99.0 111.389 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.75 -43.26 77.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 C-N-CA 119.946 -0.702 . . . . 99.0 111.075 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -59.14 -46.82 87.37 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.684 1.994 . . . . 99.0 110.432 178.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' A' ' 44' ' ' ARG . 71.3 m -64.88 -39.44 93.54 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.82 0.819 . . . . 99.0 110.15 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpt -58.38 -42.42 87.01 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 116.309 -2.156 . . . . 99.0 112.24 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.95 -34.76 73.84 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.066 0.936 . . . . 99.0 109.966 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 21.6 ttt180 -59.16 -34.12 71.72 Favored 'General case' 0 CA--C 1.576 1.957 0 CA-C-N 112.954 -1.93 . . . . 99.0 112.519 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -78.5 -27.31 46.1 Favored 'General case' 0 CA--C 1.573 1.832 0 C-N-CA 125.16 1.384 . . . . 99.0 109.609 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.268 2.03 0 CA-C-N 113.84 -1.527 . . . . 99.0 113.857 -179.14 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' HB ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.501 2.97 0 CA-C-O 119.248 -0.751 . . . . 99.0 111.852 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 1' ' ' GLY . 6.0 p 170.28 146.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.414 0 C-N-CA 127.81 2.444 . . . . 56.25 113.946 -176.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.564 HG22 ' N ' ' A' ' 4' ' ' ASP . 59.6 mt -132.4 175.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 128.99 2.916 . . . . 48.49 104.562 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.564 ' N ' HG22 ' A' ' 3' ' ' ILE . 94.0 m-20 -138.9 103.43 4.8 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 121.687 2.04 . . . . 99.0 111.191 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.435 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 91.8 m -106.27 40.9 1.51 Allowed 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 105.94 -1.874 . . . . 21.98 105.94 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -91.07 -40.19 11.76 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 110.643 -2.98 . . . . 69.79 105.627 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.35 -32.45 71.53 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 111.866 -2.425 . . . . 23.09 110.987 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.49 -41.12 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.572 -0.74 . . . . 23.96 109.742 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 5' ' ' THR . 96.2 mt-10 -60.36 -42.21 95.3 Favored 'General case' 0 C--O 1.253 1.251 0 C-N-CA 117.028 -1.869 . . . . 57.08 110.947 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -67.91 -40.62 83.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.721 -0.792 . . . . 33.45 111.972 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.64 -46.42 72.53 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 114.529 1.307 . . . . 60.89 114.529 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -59.87 -35.32 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 121.823 0.82 . . . . 20.1 112.503 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -59.65 -41.85 91.47 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 116.823 -1.951 . . . . 34.92 107.97 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -59.1 -44.43 91.95 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 78.3 109.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.48 93.66 Favored Glycine 0 CA--C 1.499 -0.923 0 C-N-CA 118.64 -1.743 . . . . 16.94 109.513 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 40.3 mt-30 -59.22 -39.2 81.96 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 113.265 -1.468 . . . . 14.7 109.15 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -64.8 -48.34 73.09 Favored Glycine 0 N--CA 1.407 -3.283 0 CA-C-O 115.887 -2.618 . . . . 9.87 114.874 -177.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.382 1.98 2 CA-C-N 125.963 4.882 . . . . 54.44 112.279 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.8 mtp -63.09 -34.33 77.37 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 106.277 -1.749 . . . . 2.0 106.277 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 6.9 mmtp -62.16 -38.26 88.35 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 117.763 -1.575 . . . . 12.1 112.118 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -44.48 65.98 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 127.464 2.306 . . . . 43.28 110.012 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.606 ' O ' HG13 ' A' ' 26' ' ' ILE . 6.1 mt -63.65 -45.5 97.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 114.917 -1.038 . . . . 29.18 108.461 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.55 -45.15 96.44 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 113.961 0.344 . . . . 2.0 113.961 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.0 -46.99 57.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 118.042 -2.028 . . . . 10.41 113.339 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.28 -39.15 93.77 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 120.78 -0.368 . . . . 99.0 110.596 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 22' ' ' ILE . 10.9 mt -57.27 -47.95 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 122.68 1.229 . . . . 33.82 110.975 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 t -58.48 -32.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 112.487 -2.142 . . . . 35.23 113.382 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.23 95.53 Favored Glycine 0 N--CA 1.431 -1.682 0 N-CA-C 110.441 -1.064 . . . . 12.44 110.441 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' O ' HD23 ' A' ' 33' ' ' LEU . . . -68.96 -39.65 79.36 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.017 1.117 . . . . 13.97 114.017 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.07 -35.7 79.43 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 122.464 1.126 . . . . 4.55 109.062 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 31' ' ' VAL . 63.2 t -58.07 -34.13 48.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 C-N-CA 115.223 -2.591 . . . . 31.11 113.17 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -67.56 -40.93 85.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-N 121.685 2.039 . . . . 2.0 106.262 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -60.84 -46.14 91.75 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.529 1.143 . . . . 24.23 111.09 178.098 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.98 -47.88 70.21 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 114.422 1.268 . . . . 48.97 114.422 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.262 59.3 t -66.86 -38.48 81.53 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.401 0 C-N-CA 115.337 -2.545 . . . . 81.48 114.703 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -37.97 89.38 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 122.499 2.408 . . . . 25.65 109.053 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.9 -45.93 94.64 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 120.103 -1.046 . . . . 2.0 112.346 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.4 mt -55.65 -37.06 67.75 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 117.704 -1.598 . . . . 2.0 111.389 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.75 -43.26 77.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 C-N-CA 119.946 -0.702 . . . . 37.76 111.075 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -59.14 -46.82 87.37 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.684 1.994 . . . . 82.81 110.432 178.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.553 ' HA ' ' HB3' ' A' ' 44' ' ' ARG . 71.3 m -64.88 -39.44 93.54 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.82 0.819 . . . . 37.53 110.15 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpt -58.38 -42.42 87.01 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 116.309 -2.156 . . . . 17.56 112.24 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.95 -34.76 73.84 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.066 0.936 . . . . 2.0 109.966 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.553 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 21.6 ttt180 -59.16 -34.12 71.72 Favored 'General case' 0 CA--C 1.576 1.957 0 CA-C-N 112.954 -1.93 . . . . 99.0 112.519 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -78.5 -27.31 46.1 Favored 'General case' 0 CA--C 1.573 1.832 0 C-N-CA 125.16 1.384 . . . . 30.32 109.609 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.268 2.03 0 CA-C-N 113.84 -1.527 . . . . 74.75 113.857 -179.14 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' HB ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.501 2.97 0 CA-C-O 119.248 -0.751 . . . . 99.0 111.852 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 1' ' ' GLY . 6.0 p 170.28 146.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.369 1.414 0 C-N-CA 127.81 2.444 . . . . 56.25 113.946 -176.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.564 HG22 ' N ' ' A' ' 4' ' ' ASP . 59.6 mt -132.4 175.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 128.99 2.916 . . . . 48.49 104.562 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.564 ' N ' HG22 ' A' ' 3' ' ' ILE . 94.0 m-20 -138.9 103.43 4.8 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 121.687 2.04 . . . . 99.0 111.191 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.435 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 91.8 m -106.27 40.9 1.51 Allowed 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 105.94 -1.874 . . . . 21.98 105.94 177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -91.07 -40.19 11.76 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 110.643 -2.98 . . . . 69.79 105.627 -174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.35 -32.45 71.53 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 111.866 -2.425 . . . . 23.09 110.987 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.49 -41.12 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.572 -0.74 . . . . 23.96 109.742 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 5' ' ' THR . 96.2 mt-10 -60.36 -42.21 95.3 Favored 'General case' 0 C--O 1.253 1.251 0 C-N-CA 117.028 -1.869 . . . . 57.08 110.947 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -67.91 -40.62 83.37 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 119.721 -0.792 . . . . 33.45 111.972 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.64 -46.42 72.53 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 114.529 1.307 . . . . 60.89 114.529 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -59.87 -35.32 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-O 121.823 0.82 . . . . 20.1 112.503 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 93.7 m -59.65 -41.85 91.47 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 116.823 -1.951 . . . . 34.92 107.97 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -59.1 -44.43 91.95 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 78.3 109.112 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -45.48 93.66 Favored Glycine 0 CA--C 1.499 -0.923 0 C-N-CA 118.64 -1.743 . . . . 16.94 109.513 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.548 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 63.8 mt-30 -59.22 -39.2 81.96 Favored 'General case' 0 CA--C 1.464 -2.343 0 CA-C-N 113.265 -1.468 . . . . 14.7 109.15 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -64.8 -48.34 73.09 Favored Glycine 0 N--CA 1.407 -3.283 0 CA-C-O 115.887 -2.618 . . . . 9.87 114.874 -177.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.382 1.98 2 CA-C-N 125.963 4.882 . . . . 54.44 112.279 174.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.8 mtp -63.09 -34.33 77.37 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 106.277 -1.749 . . . . 2.0 106.277 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 6.9 mmtp -62.16 -38.26 88.35 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 117.763 -1.575 . . . . 12.1 112.118 176.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -44.48 65.98 Favored 'General case' 0 C--O 1.198 -1.62 0 C-N-CA 127.464 2.306 . . . . 43.28 110.012 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.606 ' O ' HG13 ' A' ' 26' ' ' ILE . 6.1 mt -63.65 -45.5 97.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 CA-C-N 114.917 -1.038 . . . . 29.18 108.461 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.55 -45.15 96.44 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 113.961 0.344 . . . . 2.0 113.961 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.0 -46.99 57.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 118.042 -2.028 . . . . 10.41 113.339 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -63.28 -39.15 93.77 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 120.78 -0.368 . . . . 99.0 110.596 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 22' ' ' ILE . 10.9 mt -57.27 -47.95 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-O 122.68 1.229 . . . . 33.82 110.975 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 t -58.48 -32.31 45.31 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.192 0 CA-C-N 112.487 -2.142 . . . . 35.23 113.382 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.23 95.53 Favored Glycine 0 N--CA 1.431 -1.682 0 N-CA-C 110.441 -1.064 . . . . 12.44 110.441 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' O ' HD23 ' A' ' 33' ' ' LEU . . . -68.96 -39.65 79.36 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.017 1.117 . . . . 13.97 114.017 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.07 -35.7 79.43 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 122.464 1.126 . . . . 4.55 109.062 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 31' ' ' VAL . 63.2 t -58.07 -34.13 48.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 C-N-CA 115.223 -2.591 . . . . 31.11 113.17 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -67.56 -40.93 85.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-N 121.685 2.039 . . . . 2.0 106.262 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -60.84 -46.14 91.75 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.529 1.143 . . . . 24.23 111.09 178.098 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.98 -47.88 70.21 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 114.422 1.268 . . . . 48.97 114.422 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.262 59.3 t -66.86 -38.48 81.53 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.401 0 C-N-CA 115.337 -2.545 . . . . 81.48 114.703 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -37.97 89.38 Favored 'General case' 0 N--CA 1.416 -2.162 0 CA-C-N 122.499 2.408 . . . . 25.65 109.053 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.9 -45.93 94.64 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 120.103 -1.046 . . . . 2.0 112.346 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.4 mt -55.65 -37.06 67.75 Favored 'General case' 0 C--O 1.253 1.275 0 C-N-CA 117.704 -1.598 . . . . 2.0 111.389 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.75 -43.26 77.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 C-N-CA 119.946 -0.702 . . . . 37.76 111.075 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -59.14 -46.82 87.37 Favored 'General case' 0 N--CA 1.423 -1.809 0 C-N-CA 126.684 1.994 . . . . 82.81 110.432 178.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.553 ' HA ' ' HB3' ' A' ' 44' ' ' ARG . 71.3 m -64.88 -39.44 93.54 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.82 0.819 . . . . 37.53 110.15 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tpt -58.38 -42.42 87.01 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 116.309 -2.156 . . . . 17.56 112.24 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.95 -34.76 73.84 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 122.066 0.936 . . . . 2.0 109.966 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.553 ' HB3' ' HA ' ' A' ' 41' ' ' SER . 21.6 ttt180 -59.16 -34.12 71.72 Favored 'General case' 0 CA--C 1.576 1.957 0 CA-C-N 112.954 -1.93 . . . . 99.0 112.519 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -78.5 -27.31 46.1 Favored 'General case' 0 CA--C 1.573 1.832 0 C-N-CA 125.16 1.384 . . . . 30.32 109.609 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.268 2.03 0 CA-C-N 113.84 -1.527 . . . . 74.75 113.857 -179.14 . . . . . . . . 0 0 . 1 stop_ save_