data_2db5_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 2db5 _Structure_validation_residue.Date_analyzed 2016-10-07 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 core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.09 -33.59 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.7 -27.09 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -82.05 -48.44 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.28 -47.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.29 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.39 -21.68 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -86.62 -35.65 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.3 mtp -75.32 -34.87 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.32 -37.63 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.89 44.73 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -26.09 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -48.39 141.02 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.07 119.08 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 41.0 mt -93.86 138.66 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -131.56 141.51 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -97.05 101.62 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mm -89.32 101.17 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.15 117.54 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 32' ' ' GLU . 29.2 mt -111.08 137.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 31' ' ' ILE . 9.0 tt0 -92.54 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.722 . . . . 0.0 110.886 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 12.14 84.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 5.9 p90 -142.48 157.88 44.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -114.11 174.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.19 151.36 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -120.71 140.73 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.97 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 mt -139.59 109.94 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 2.0 tmm_? -51.59 128.19 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.49 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 7.6 t -79.18 -176.74 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -105.69 -31.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -43.24 -58.53 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.3 tt -173.03 157.26 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . -27.17 90.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 51' ' ' LEU . 9.0 ptpt -162.03 173.85 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 16.0 t -130.88 132.82 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 77.2 m-20 -98.17 113.22 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.9 mm -86.41 125.13 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 56.2 m-85 -120.96 140.29 52.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 61' ' ' VAL . 48.0 t -77.11 114.05 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 10.4 mmmt -122.83 156.29 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.17 51.93 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' A' ' 58' ' ' VAL . 53.2 t -74.21 82.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -40.66 103.34 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 84.14 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.304 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.32 -21.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 p -79.55 177.27 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.822 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 31' ' ' ILE . 1.8 tt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -95.12 161.34 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -78.97 159.82 27.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 59.21 37.0 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -100.53 102.4 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 4.3 tt0 -61.69 111.91 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.465 HG21 ' CG1' ' A' ' 82' ' ' ILE . 12.3 mt -76.67 114.5 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.38 -44.77 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.19 151.87 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CG1' HG21 ' A' ' 79' ' ' ILE . 74.2 mt -131.86 109.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' H ' ' A' ' 108' ' ' ARG . 11.0 m120 64.51 47.11 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 66.87 47.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.9 m -159.12 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.05 49.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.86 33.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.7 t0 -58.31 174.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 4.8 pt20 -36.82 -33.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ASP . 17.3 m120 -53.52 -57.8 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.4 mt -92.29 135.4 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 -174.68 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.461 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 3.6 p-80 -68.42 -39.04 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.403 ' HG2' ' NE2' ' A' ' 93' ' ' HIS . 3.6 mm100 -58.75 -59.62 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -44.87 -45.71 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.65 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.06 -45.14 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.46 -61.46 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.7 mt -37.61 -34.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.06 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.06 -16.44 12.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' THR . 37.2 mt-30 -97.99 -66.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' GLN . 5.3 m -36.6 117.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.5 m -111.82 167.96 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.08 -80.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 m -117.83 133.41 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.824 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.3 tp -129.28 109.94 11.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.45 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 35.9 ttp180 -96.07 146.43 24.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 108' ' ' ARG . 41.9 mt -143.32 117.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 56.4 mt -94.91 100.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.29 159.28 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.3 18.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.01 142.83 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.882 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' ASP . 14.1 t80 -34.13 -61.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 59.7 m-80 -53.52 -38.28 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -67.89 -56.7 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.5 p -54.17 -43.23 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -63.09 -49.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -58.57 -33.69 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 24.2 mm-40 -71.62 -38.95 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mtp -72.25 -36.06 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.12 88.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 32.2 mm-40 62.45 46.99 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.14 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -45.59 143.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.22 116.58 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.87 144.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.85 130.2 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -85.98 102.25 13.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.7 mm -94.01 111.48 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.55 119.64 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 32' ' ' GLU . 80.7 mt -115.6 132.34 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' N ' HG23 ' A' ' 31' ' ' ILE . 16.9 mt-10 -92.37 96.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.918 0.39 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.07 13.19 40.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 3.7 p90 -142.09 131.81 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -90.82 172.55 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 m -140.83 156.67 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 m -122.6 139.91 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.45 121.66 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -139.62 113.15 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -58.09 138.44 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -84.72 163.94 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -83.04 -25.85 31.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -50.57 -66.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -172.36 -174.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.505 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -41.4 91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.2 ptmt -171.95 148.53 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 12.0 t -119.4 137.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -101.02 112.67 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.5 mm -86.48 117.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.513 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 61.4 m-85 -110.62 143.32 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.8 t -79.07 109.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 19.8 mmmt -116.2 157.91 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.8 t70 55.53 53.12 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.495 ' CG2' ' OE1' ' A' ' 75' ' ' GLU . 37.2 t -74.36 107.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -57.87 115.45 11.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.27 8.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.07 67.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -168.64 170.93 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -108.21 168.14 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.495 ' OE1' ' CG2' ' A' ' 61' ' ' VAL . 1.4 tp10 -74.65 155.25 37.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 65.43 49.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -106.3 99.15 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.9 tt0 -65.38 103.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mt -69.53 106.16 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.37 -47.74 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.32 152.72 51.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 86.0 mt -132.0 115.84 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.2 m120 59.84 43.47 15.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 70.35 46.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 39.9 m -154.82 106.86 2.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.2 Cg_endo -69.78 144.09 52.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.52 48.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.3 p30 -72.28 173.64 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' ASP . 16.4 pt20 -36.51 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -57.38 -48.8 78.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 92' ' ' SER . 3.3 mt -105.05 138.3 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 91' ' ' ILE . 2.6 m -93.28 -174.8 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.476 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.6 p-80 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mt-30 -52.92 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -39.09 -51.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.56 -51.38 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.11 -39.23 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.8 -65.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 40.5 mt -34.41 -37.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.1 mt -71.05 -49.21 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.8 mt-30 -74.23 -13.9 60.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.463 ' CG ' ' HA ' ' A' ' 99' ' ' LEU . 5.3 pt20 -115.32 39.8 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.4 m -145.85 123.17 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.32 -177.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.87 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p -123.98 143.38 50.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.6 tp -130.12 103.02 6.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -85.5 130.0 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.0 mt -136.92 113.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -98.1 100.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.4 m -105.02 157.85 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.56 163.76 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -144.82 133.8 22.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.9 p30 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.434 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 14.4 t80 -38.1 -55.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -57.93 -32.42 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -73.3 -55.64 6.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.4 p -51.7 -41.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.5 mm -65.01 -51.53 65.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -58.66 -30.34 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -75.56 -37.95 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.7 mtp -75.1 -31.06 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.6 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 57.92 51.46 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 -33.69 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -42.66 137.11 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.86 115.56 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 34.5 mt -82.88 142.92 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -137.09 115.38 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CD2' HG12 ' A' ' 110' ' ' ILE . 43.3 m-85 -73.05 104.72 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.442 ' CG1' HG21 ' A' ' 111' ' ' VAL . 24.5 mm -88.43 116.64 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.24 122.64 35.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 109' ' ' LEU . 82.9 mt -123.28 128.15 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.47 100.01 12.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.839 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 1.1 mt . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.79 88.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.6 p90 -138.38 137.41 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -97.85 173.88 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.15 154.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 1.9 m -120.81 140.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.62 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.0 mt -130.96 120.02 22.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -55.58 121.09 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -79.45 145.55 33.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -85.7 36.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -101.39 -73.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -173.41 105.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 34.37 77.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -171.43 157.08 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -121.11 137.26 55.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -95.21 117.74 30.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.3 mm -88.28 117.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -110.43 141.72 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -80.4 106.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 14.9 mmmt -111.08 164.72 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 50.85 48.32 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.8 96.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -49.75 122.65 13.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.11 54.99 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.9 m -151.54 160.04 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 8.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -104.96 164.31 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -74.2 163.99 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 59.82 25.16 14.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -81.62 103.01 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.25 99.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.3 mt -69.18 110.09 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.3 -50.29 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.09 150.5 52.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 HG12 ' CD2' ' A' ' 109' ' ' LEU . 89.0 mt -131.99 118.67 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.6 m120 58.51 51.49 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 60.28 54.0 4.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.6 m -166.77 109.11 0.66 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.193 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.5 48.14 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.77 34.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -56.04 178.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.1 pp0? -43.18 -31.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.42 -41.73 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.9 mt -109.13 139.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.8 m -96.39 -174.82 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.5 p-80 -61.08 -49.12 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 36.9 mt-30 -49.4 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -40.4 -48.77 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.42 -48.62 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.21 -40.68 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.59 -55.76 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.4 mt -43.63 -52.39 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.9 mt -53.15 -57.49 10.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.53 -15.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -114.19 42.6 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 53.5 m -145.04 106.85 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.68 140.74 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -71.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.6 p -136.25 132.86 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 41.2 tp -123.0 101.77 7.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.408 ' NH1' HD12 ' A' ' 110' ' ' ILE . 5.2 tmm_? -98.33 112.34 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 82' ' ' ILE . 42.3 mt -114.63 120.94 41.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 69.0 mt -96.25 102.43 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.442 HG21 ' CG1' ' A' ' 29' ' ' ILE . 26.0 m -105.03 155.97 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.59 165.17 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -139.17 151.15 46.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.6 t80 -34.72 -60.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 62.4 m-80 -54.2 -36.67 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.6 t -68.77 -56.56 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.5 p -53.71 -42.99 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.9 mm -64.87 -50.69 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -58.41 -25.79 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 13.5 mt-30 -78.68 -39.29 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.0 mtp -72.79 -34.9 67.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.99 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.1 mm-40 62.23 45.28 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 -28.08 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -40.26 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.45 111.97 8.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.5 mt -95.02 139.05 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -137.21 157.94 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -102.53 102.07 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -88.06 101.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.82 102.07 13.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.82 128.61 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.8 90.57 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 7.1 mmt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD21 ' CZ ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.029 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.53 19.49 79.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 2.4 p90 -150.88 138.63 19.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -98.93 175.47 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.99 151.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.22 136.27 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.13 120.11 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mt -136.56 109.44 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.8 tmm_? -46.86 126.9 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.492 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.1 t -83.43 174.03 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -101.54 -9.2 21.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -52.17 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLY . 1.2 tm? -175.04 107.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 36.1 76.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -165.61 173.95 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 55' ' ' ASP . 19.4 t -130.36 147.44 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' HG11 ' A' ' 54' ' ' VAL . 82.8 m-20 -105.99 113.85 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.6 mm -86.82 117.18 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.456 ' CE1' ' CG ' ' A' ' 78' ' ' GLN . 90.3 m-85 -112.82 140.47 47.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 73' ' ' LEU . 54.0 t -81.39 119.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -133.4 160.62 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t70 63.86 50.34 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.35 90.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -41.46 121.95 2.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.18 32.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.58 63.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -153.38 -178.61 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.3 tt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.72 167.62 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.39 153.74 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 61.52 24.91 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.48 101.58 14.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -63.82 118.13 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.484 ' N ' ' OE1' ' A' ' 78' ' ' GLN . 33.2 mt -78.77 102.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.89 -44.27 73.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.77 153.84 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 HG23 ' CD2' ' A' ' 109' ' ' LEU . 62.0 mt -131.98 111.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 62.73 48.07 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t60 66.02 54.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.7 m -166.1 111.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 143.17 50.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.59 49.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' GLN . 11.2 t70 -72.48 175.82 5.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.3 pp0? -35.67 -37.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -50.37 -54.14 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.8 mt -95.6 135.76 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.5 m -90.53 -174.79 4.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.484 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.0 p-80 -65.83 -39.92 91.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.484 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 56.8 mt-30 -57.54 -62.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -44.8 -43.35 8.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.25 -47.68 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 mt -62.96 -38.93 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.69 -61.26 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -38.86 -27.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' ALA . 42.2 mt -80.73 -66.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -60.74 -12.09 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -114.12 44.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.0 m -153.94 108.88 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.2 m -104.43 168.01 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 33' ' ' ARG . . . 75.92 -83.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.426 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -118.36 146.56 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.4 tp -138.99 105.46 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -91.48 130.86 37.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.403 ' CD2' HG23 ' A' ' 82' ' ' ILE . 49.4 mt -134.69 117.63 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 98.8 mt -93.66 100.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.34 162.17 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.14 167.43 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.13 153.61 46.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.2 p30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 19.4 t80 -36.67 -56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.48 -35.45 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -70.29 -56.96 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.4 p -51.29 -44.43 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.19 -47.6 86.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.21 -26.76 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.7 -36.73 37.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.1 mtp -76.11 -31.86 58.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -75.34 -42.64 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 63.26 48.84 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -39.32 3.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 58.4 mtm180 -38.81 138.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -68.07 116.67 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.446 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 31.8 mt -86.21 141.62 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -132.02 136.57 47.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -86.0 106.43 17.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 73' ' ' LEU . 16.2 mm -88.03 115.15 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -98.83 108.08 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.6 mt -105.97 133.32 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -93.33 95.95 9.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 41' ' ' PHE . 1.6 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA3' ' CB ' ' A' ' 65' ' ' SER . . . 91.17 6.27 66.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 39' ' ' LEU . 3.0 p90 -138.92 131.84 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 m -93.55 176.02 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 6.3 m -142.37 152.43 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 6.6 m -119.34 149.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.02 126.72 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -137.78 107.58 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 48' ' ' SER . 5.2 tmm_? -51.05 128.73 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.464 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -89.42 151.37 22.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 50' ' ' ASN . 7.0 pt20 -76.25 -36.34 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 4.3 m120 -34.39 -61.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 53' ' ' LYS . 3.4 tt -175.23 159.22 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . -27.89 88.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.1 ptmm? -168.39 160.69 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 12.6 t -122.75 145.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.4 112.23 24.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 20.4 mm -86.3 123.11 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 90.4 m-85 -115.1 140.48 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 41' ' ' PHE . 87.8 t -73.33 110.69 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 9.2 mmmt -122.94 151.58 41.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 69.26 52.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.05 90.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.49 123.76 85.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.696 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.66 41.52 2.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 21.3 m -142.65 174.12 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 29' ' ' ILE . 3.4 tt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -113.81 156.53 23.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 17.7 tt0 -65.36 171.92 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 12.5 p30 47.64 40.29 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . 30.8 m-20 -93.63 106.57 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.563 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 tt0 -64.4 94.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.452 HG22 ' CG1' ' A' ' 82' ' ' ILE . 17.2 mt -64.87 106.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.94 -50.52 22.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.3 153.57 51.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' CG1' HG22 ' A' ' 79' ' ' ILE . 64.5 mt -132.07 119.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.8 m120 58.98 44.68 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 67.48 54.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.2 m -164.77 111.28 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.51 54.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 mt -97.23 44.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' ASN . 7.5 p-10 -72.41 -175.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -41.13 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' ASP . 92.2 m-20 -61.01 -56.0 26.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.34 136.87 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m -87.67 -175.46 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 3.7 p-80 -65.23 -40.5 94.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 9.5 mm-40 -56.85 -65.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -41.83 -44.92 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.66 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.05 -41.31 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -57.47 -61.21 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.9 mt -37.92 -44.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.427 ' CD2' HG21 ' A' ' 82' ' ' ILE . 16.5 mt -66.62 -46.55 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -71.39 -13.19 61.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -119.73 42.48 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -103.59 147.87 26.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 106' ' ' SER . 1.1 p -131.6 172.12 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.94 -89.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 t -120.42 152.97 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.7 tp -122.08 104.47 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -96.92 130.32 44.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.0 mt -133.37 122.47 23.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.446 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 87.8 mt -97.06 102.95 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.427 HG21 ' CG1' ' A' ' 29' ' ' ILE . 32.6 m -105.07 159.86 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.32 161.06 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -142.17 157.3 45.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.852 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.1 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.8 -32.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -76.08 -34.85 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ASP . 8.4 t -73.31 -53.58 10.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.0 -45.45 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mm -65.25 -48.86 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -61.05 -18.95 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.18 -34.55 20.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.9 mtp -80.02 -33.11 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.64 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 53.52 38.53 28.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.22 -25.36 14.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -49.48 141.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 118.22 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -84.85 145.49 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -138.74 126.7 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -86.98 101.73 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.7 mm -89.95 106.74 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -89.98 102.84 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.7 mt -98.29 128.76 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ARG . 5.5 mt-10 -77.92 78.53 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH1' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.687 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.475 HD12 ' CE2' ' A' ' 41' ' ' PHE . 1.4 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 65' ' ' SER . . . 89.42 4.23 74.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CE2' HD12 ' A' ' 39' ' ' LEU . 4.9 p90 -134.89 135.96 42.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -94.5 172.91 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.4 141.38 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m -110.75 133.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.46 126.73 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.073 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 57' ' ' PHE . 14.3 mt -139.32 108.61 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 48' ' ' SER . 3.8 tmm_? -51.45 124.12 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.468 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -76.29 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -90.46 -35.97 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -39.04 -59.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -174.19 -176.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.47 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -46.15 89.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.5 ptmt -165.92 164.05 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 21.5 t -123.2 145.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -105.36 109.46 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mm -87.5 120.75 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 78' ' ' GLN . 82.1 m-85 -116.18 155.18 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.5 t -83.16 113.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 25.1 mmtt -131.25 144.65 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 75.03 49.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.2 94.64 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -62.48 133.52 94.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.08 37.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.5 60.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.471 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 1.3 p -162.03 162.82 28.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.362 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -109.83 161.03 15.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 9.6 tt0 -66.32 174.92 2.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 9.6 p30 45.81 44.19 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -106.67 106.19 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 1.7 tm0? -69.25 117.31 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.462 HG21 ' CG1' ' A' ' 82' ' ' ILE . 3.0 mt -80.58 106.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 mt -72.57 -43.02 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.83 153.81 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG1' HG21 ' A' ' 79' ' ' ILE . 62.4 mt -131.65 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.27 48.62 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.1 t60 64.62 51.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -160.98 114.36 1.31 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.36 50.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 87' ' ' LEU . 2.2 mt -98.75 41.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLN . 18.3 p-10 -76.31 -175.23 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 90' ' ' ASN . 6.3 pt20 -34.52 -42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 5.9 m-20 -49.41 -53.47 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -100.33 142.79 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -100.59 -175.17 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 2.9 p-80 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 46.5 mt-30 -55.5 -56.33 21.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -49.98 -49.65 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.34 -45.23 35.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 mt -62.49 -45.72 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.36 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.5 mt -39.12 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 98' ' ' ALA . 6.5 mt -85.28 -63.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.9 -11.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' THR . 17.1 mt-30 -101.77 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' GLN . 2.3 m -33.32 135.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -125.62 147.98 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.32 -89.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -109.06 135.81 49.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 tp -123.32 103.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.8 ttm105 -97.64 132.3 43.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.7 mt -133.03 131.19 40.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.3 mt -107.25 100.65 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.1 m -105.06 156.77 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.71 162.41 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -140.98 147.72 39.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.9 p-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -40.61 -51.07 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -61.61 -33.02 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.4 t -74.37 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -45.72 -46.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.8 mm -61.87 -51.76 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -58.51 -32.67 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.79 -41.17 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.9 mtp -69.36 -37.53 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -34.97 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 58.99 42.1 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.54 -28.12 9.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -46.41 137.4 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.0 tt0 -62.14 114.14 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.3 mt -87.47 142.24 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -137.29 127.07 25.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -76.58 101.45 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -93.49 104.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.33 136.16 33.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.433 ' CD1' HD12 ' A' ' 109' ' ' LEU . 96.7 mt -132.2 131.17 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.89 97.63 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.901 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.09 65.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.3 p90 -141.93 132.03 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 m -90.58 165.77 13.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.9 m -136.05 147.2 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -116.79 134.5 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.39 115.71 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' C ' HG11 ' A' ' 54' ' ' VAL . 26.9 mt -135.72 116.02 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -44.59 121.76 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.22 163.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -94.93 38.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -115.61 -77.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.583 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.19 132.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 26.73 75.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.436 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -174.62 162.33 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG11 ' C ' ' A' ' 46' ' ' LEU . 42.7 t -124.97 155.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 18.4 m-20 -113.46 119.08 36.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.1 mm -89.96 111.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 79.6 m-85 -108.36 140.17 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 61' ' ' VAL . 97.1 t -77.96 110.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -114.29 155.06 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t0 58.25 49.85 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.455 HG22 ' CG1' ' A' ' 58' ' ' VAL . 85.1 t -70.34 91.76 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.6 118.81 28.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.9 27.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.27 38.23 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' VAL . 82.4 p -137.04 146.21 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' SER . 10.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -113.03 162.63 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -80.74 160.43 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 60.04 32.48 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -92.06 106.39 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.565 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 3.5 tt0 -70.59 111.45 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.477 HG22 ' CG1' ' A' ' 82' ' ' ILE . 63.2 mt -74.63 108.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.88 -47.84 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.17 153.47 51.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.477 ' CG1' HG22 ' A' ' 79' ' ' ILE . 36.6 mt -132.11 123.81 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 82' ' ' ILE . 21.0 p30 47.13 47.55 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 67.6 54.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 20.8 m -163.33 105.23 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.155 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.6 Cg_endo -69.77 142.29 47.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.8 mt -94.95 43.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.82 177.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -43.3 -26.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.08 -48.23 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -95.76 130.29 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m -88.03 -175.1 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.5 p-80 -63.73 -42.57 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.45 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.5 mt-30 -54.49 -64.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -42.59 -48.44 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.63 -52.39 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 101' ' ' GLN . 18.6 mt -56.68 -46.63 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.86 65.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.6 mt -47.01 -45.17 20.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.57 -49.72 24.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.41 ' NE2' HG21 ' A' ' 97' ' ' ILE . 22.1 mt-30 -64.21 -13.91 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 103' ' ' THR . 30.6 mt-30 -105.42 -68.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.5 m -34.85 118.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.47 175.74 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 44.16 -159.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' GLY . 76.5 p -33.91 133.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -133.44 103.11 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -82.31 126.1 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.433 HD12 ' CD1' ' A' ' 31' ' ' ILE . 72.1 mt -125.67 114.89 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 90.9 mt -92.47 99.97 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.3 m -105.29 158.26 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.42 156.35 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' GLN . 21.7 ttm-85 -126.92 155.49 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 110.868 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -47.75 -43.17 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -67.43 -23.83 65.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 -54.44 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -48.82 -44.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 80' ' ' LEU . 29.1 mm -64.6 -43.31 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -65.41 -26.93 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.2 -36.35 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.0 mtp -75.23 -34.11 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.61 69.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 55.99 46.18 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 -26.95 6.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -48.6 142.6 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.58 115.86 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -85.27 141.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' NE ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -133.43 144.74 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -96.61 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.2 mm -91.59 101.14 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -87.9 103.54 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 32' ' ' GLU . 80.5 mt -96.93 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' HG22 ' A' ' 31' ' ' ILE . 9.7 tt0 -105.36 97.21 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.9 10.92 68.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.7 p90 -142.97 135.71 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -99.82 176.09 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.67 154.13 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 4.3 m -120.8 142.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.31 122.3 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD13 ' CE2' ' A' ' 57' ' ' PHE . 23.5 mt -135.05 110.21 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -56.65 119.96 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.1 t -75.39 132.38 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -39.04 -28.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' SER . 25.3 t30 -61.6 -175.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -53.26 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' N ' HD21 ' A' ' 51' ' ' LEU . . . -48.06 90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.5 ptmt -159.54 145.4 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.5 t -117.69 149.06 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 7.1 m-20 -108.44 121.8 45.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.457 HG13 ' CB ' ' A' ' 96' ' ' ALA . 25.3 mm -95.2 115.81 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.441 ' CE2' HD13 ' A' ' 46' ' ' LEU . 82.6 m-85 -112.23 157.38 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG13 ' CG2' ' A' ' 61' ' ' VAL . 76.1 t -88.89 119.2 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 18.3 mmmt -128.34 167.91 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.06 49.53 20.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' HG13 ' A' ' 58' ' ' VAL . 93.2 t -74.06 94.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.21 124.74 67.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.03 4.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.0 56.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 m -164.23 166.63 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' SER . 1.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD21 ' C ' ' A' ' 73' ' ' LEU . 2.1 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -103.29 164.76 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.46 164.88 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 62.06 26.86 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.19 100.92 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.473 ' OE1' ' CD2' ' A' ' 80' ' ' LEU . 3.0 tm0? -67.63 105.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.15 108.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' ' OE1' ' A' ' 78' ' ' GLN . 20.5 mt -74.25 -43.86 55.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.87 153.36 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -130.17 108.82 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.465 ' ND2' ' H ' ' A' ' 108' ' ' ARG . 10.0 m120 58.99 53.46 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.415 ' HB2' ' NH2' ' A' ' 108' ' ' ARG . 8.2 t-80 64.42 52.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.7 m -162.63 105.41 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.73 48.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -98.28 49.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.5 p30 -81.97 -174.99 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -39.09 -29.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 88' ' ' ASP . 54.3 m-20 -58.38 -57.39 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 92' ' ' SER . 3.0 mt -99.87 138.32 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.423 ' N ' HG21 ' A' ' 91' ' ' ILE . 18.2 m -88.8 -174.55 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.617 ' CE1' ' CD ' ' A' ' 94' ' ' GLN . 3.5 p-80 -63.67 -47.39 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.617 ' CD ' ' CE1' ' A' ' 93' ' ' HIS . 28.3 mp0 -49.13 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -39.61 -51.18 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.457 ' CB ' HG13 ' A' ' 56' ' ' ILE . . . -47.05 -46.64 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -63.89 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -56.1 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 mt -39.03 -36.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.44 ' CD2' HD21 ' A' ' 109' ' ' LEU . 10.8 mt -76.66 -63.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.87 -14.94 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.49 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 m -42.56 112.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -91.87 151.96 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 69.28 -162.02 51.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 105' ' ' GLY . 11.1 m -34.47 118.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.1 tp -115.81 104.48 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.465 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 46.7 ttp180 -82.12 141.85 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 100' ' ' LEU . 64.1 mt -142.73 110.89 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -88.03 100.52 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.1 158.85 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.52 155.27 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.452 ' NE ' ' OE2' ' A' ' 27' ' ' GLU . 14.9 mtt180 -135.4 145.71 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.866 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.438 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.3 t80 -37.83 -39.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.82 -40.97 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.2 t -65.0 -52.55 55.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.5 p -49.79 -47.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.72 -49.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -59.68 -36.71 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -69.41 -34.97 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.5 mtp -77.9 -30.68 50.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.28 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.41 43.49 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.89 -25.01 7.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -47.19 140.46 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.63 111.55 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 28.6 mt -83.78 145.09 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -136.38 131.6 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -89.62 105.96 18.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mm -93.05 101.4 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -84.23 103.46 13.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 ' CD1' HD12 ' A' ' 109' ' ' LEU . 79.4 mt -99.27 136.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 31' ' ' ILE . 13.1 mt-10 -110.74 101.99 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 5.1 mmm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 41' ' ' PHE . 2.3 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.66 5.09 90.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 39' ' ' LEU . 5.1 p90 -133.27 130.93 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -94.3 176.01 6.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -144.96 165.39 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 4.5 m -130.86 145.6 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.53 121.38 41.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 57' ' ' PHE . 8.7 mt -139.05 110.53 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -53.72 136.39 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 t -90.68 129.91 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -48.34 -34.04 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -39.06 -71.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -170.15 -174.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -42.43 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' LEU . 18.5 ptmt -172.45 162.38 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 13.2 t -130.96 138.34 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-20 -99.97 114.85 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.4 mm -86.55 105.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 86.3 m-85 -97.84 140.66 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG13 ' CG2' ' A' ' 61' ' ' VAL . 56.1 t -77.03 106.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -113.2 153.35 28.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.42 54.28 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.413 ' CG2' HG13 ' A' ' 58' ' ' VAL . 84.8 t -75.64 102.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.52 122.9 63.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.56 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.32 40.98 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 m -127.37 169.37 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -99.15 165.4 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.05 167.55 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 54.69 30.46 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -86.54 101.12 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.57 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.0 tt0 -63.41 109.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.4 mt -75.29 110.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.23 -45.83 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.47 149.96 47.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.1 mt -131.94 116.99 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 m120 61.26 45.14 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 66.46 54.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m -166.16 112.37 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.21 45.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' GLN . 24.6 t0 -67.73 173.82 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 88' ' ' ASP . 8.5 pt20 -34.26 -42.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -46.65 -59.31 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -90.02 133.49 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 m -90.31 -176.57 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.3 p-80 -63.91 -40.07 95.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.47 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 47.0 mt-30 -59.46 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -45.74 -45.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.17 61.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.1 -45.05 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 102' ' ' GLN . . . -52.12 -50.51 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -48.98 -36.61 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.9 mt -72.65 -59.08 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -65.42 -14.35 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 98' ' ' ALA . 29.5 mt-30 -114.76 47.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -154.73 108.81 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.15 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.56 -77.77 2.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.3 p -126.13 142.48 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 tp -139.01 106.5 5.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -100.54 133.01 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 31' ' ' ILE . 30.8 mt -133.69 124.46 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.48 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 33.1 mt -100.42 100.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.1 m -105.02 158.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.33 165.98 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -137.07 153.14 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.9 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.7 t80 -37.12 -59.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -55.68 -31.53 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.5 t -73.4 -54.7 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.6 p -54.89 -44.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -64.72 -51.04 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -59.81 -32.43 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -74.04 -40.19 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.5 mtp -69.96 -36.24 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 -34.4 72.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 60.74 47.96 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.12 -28.49 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -45.54 132.98 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -62.74 115.01 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 43.5 mt -86.55 141.9 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.87 122.65 23.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.33 102.56 3.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.415 HG22 ' CD1' ' A' ' 73' ' ' LEU . 21.7 mm -90.05 101.78 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 116.29 27.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' CD1' HD13 ' A' ' 109' ' ' LEU . 97.6 mt -115.13 127.53 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -89.3 99.98 12.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 7.5 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 1.7 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.61 11.64 72.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.5 p90 -140.99 143.01 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -100.86 175.12 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.26 150.31 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.7 m -120.65 135.53 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 120.01 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.9 mt -133.96 118.76 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.6 tmm_? -61.03 120.27 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.41 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 2.0 t -77.24 136.62 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -39.5 -35.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.85 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -51.62 -179.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -46.76 89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' LEU . 7.3 ptpt -155.82 153.22 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 t -120.94 155.32 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 69.5 m-20 -119.59 113.84 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.5 mm -86.28 126.74 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 32.8 m-85 -119.23 147.9 43.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -82.35 108.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.493 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -119.49 166.03 13.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 51.09 54.48 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.54 82.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -47.05 118.86 5.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 45.71 1.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -147.92 172.34 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.163 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD1' HG22 ' A' ' 29' ' ' ILE . 2.5 tt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -112.73 163.78 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 58.5 tt0 -69.2 159.72 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 75.2 m-80 63.2 34.6 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.8 99.97 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.57 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -63.51 109.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.14 106.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.68 -47.34 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . . . -137.18 152.82 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.419 HG21 ' CD2' ' A' ' 109' ' ' LEU . 87.7 mt -132.4 112.97 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.3 45.35 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 69.14 42.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.2 m -151.95 105.0 2.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.18 44.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 96' ' ' ALA . 21.6 mt -92.2 38.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -58.68 179.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 90' ' ' ASN . 6.0 pt20 -44.16 -29.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 8.9 m120 -55.68 -57.34 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 92' ' ' SER . 2.9 mt -91.2 143.88 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.451 ' N ' HG21 ' A' ' 91' ' ' ILE . 3.6 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -59.38 -39.44 83.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -60.81 -62.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -44.8 -41.88 7.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -54.58 -49.8 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.96 -45.01 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -48.65 -61.36 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.4 mt -35.52 -41.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.53 -47.43 63.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ALA . 32.0 mt-30 -69.18 -19.69 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -113.62 50.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.1 m -158.93 110.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.18 160.88 20.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.75 -61.42 3.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.0 m -143.79 137.44 28.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.9 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 tp -132.9 101.47 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 104.87 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 31' ' ' ILE . 47.6 mt -107.21 119.15 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 79.5 mt -96.81 104.45 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 m -104.85 166.98 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.76 167.6 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -144.81 153.52 41.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 4.8 t80 -43.14 -38.72 2.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.7 t -72.81 -51.31 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.3 p -50.23 -44.13 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG21 ' CD1' ' A' ' 26' ' ' ILE . 34.5 mm -60.58 -53.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -55.49 -37.52 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.92 -34.15 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.0 mtp -81.89 -29.94 32.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -73.2 -34.47 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 62.84 42.41 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.27 -24.59 8.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 55.9 mtm180 -47.97 147.28 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -70.97 114.62 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 27' ' ' GLU . 53.1 mt -85.22 142.8 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 26' ' ' ILE . 19.6 mm-40 -137.09 130.77 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 104.59 14.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mm -88.08 116.45 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -99.03 116.06 30.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -119.35 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.88 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 103' ' ' THR . 3.9 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.46 11.86 63.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 2.5 p90 -148.22 128.82 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -89.01 175.14 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.11 146.74 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.454 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.0 m -114.68 146.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.16 126.92 50.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 57' ' ' PHE . 8.9 mt -140.52 108.02 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -50.84 122.61 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 3.8 t -76.06 144.37 40.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 40.5 mt-30 -67.77 -38.15 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 71.9 m-20 -34.46 -69.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -168.72 -178.57 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -40.2 91.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' LEU . 14.9 ptmt -173.31 164.15 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 24.7 t -122.3 149.33 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.525 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.5 m-20 -108.78 110.59 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 93' ' ' HIS . 10.6 mm -89.21 123.38 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 80.3 m-85 -119.66 160.19 22.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.1 t -90.75 115.76 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmtt -126.62 153.02 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.86 48.44 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -70.02 100.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.94 112.62 9.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.04 15.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.36 39.13 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.2 m -138.63 172.73 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.868 0.366 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.33 155.77 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.76 158.24 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 63.01 31.0 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.64 107.19 19.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.536 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 6.0 tt0 -70.56 113.37 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.465 HG21 ' CG1' ' A' ' 82' ' ' ILE . 52.7 mt -74.66 108.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.41 -50.87 14.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.38 150.88 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CG1' HG21 ' A' ' 79' ' ' ILE . 68.4 mt -130.04 114.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.414 ' ND2' HD12 ' A' ' 107' ' ' LEU . 1.4 m-80 62.64 46.38 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 13' ' ' PHE . 3.2 t-160 66.1 48.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.6 m -157.54 111.39 1.84 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 143.66 51.45 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.83 29.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -54.21 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -42.43 -45.14 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -44.67 -58.38 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -91.89 135.77 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -97.51 -174.59 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.544 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.0 p-80 -60.39 -47.18 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.544 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 50.9 mt-30 -50.69 -67.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -40.06 -50.58 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.86 -47.97 42.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 mt -58.72 -48.3 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.29 -56.2 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -42.14 -35.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 20.1 mt -78.6 -60.42 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -58.59 -12.61 4.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' THR . 33.6 mt-30 -102.92 -64.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.456 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 m -34.52 136.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -127.84 173.59 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.96 -93.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.3 p -101.94 131.7 48.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.94 0.4 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.43 HD11 ' CG2' ' A' ' 103' ' ' THR . 40.9 tp -124.93 108.06 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -97.82 126.48 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' A' ' 82' ' ' ILE . 38.6 mt -129.69 124.26 33.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.44 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 75.9 mt -98.03 100.33 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.5 m -105.52 157.88 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.62 151.6 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 4.4 ptp180 -142.18 148.95 39.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.98 -48.34 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.91 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.5 t -75.34 -54.97 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -48.87 -43.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -65.91 -48.05 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -61.97 -24.34 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.23 -34.04 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.6 mtp -82.1 -26.32 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.95 -34.27 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 56.37 48.41 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.3 -36.4 3.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -39.6 135.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -61.5 119.15 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.0 mt -86.97 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -131.67 156.62 45.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -111.9 108.02 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.0 mm -96.58 105.54 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.86 101.76 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.6 mt -96.16 135.36 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.62 107.93 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.849 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.77 1.35 83.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.437 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -134.01 137.61 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -98.89 175.41 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.77 -179.78 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -146.79 148.62 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.461 ' CB ' ' CG ' ' A' ' 93' ' ' HIS . . . -104.15 126.98 51.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' C ' HG12 ' A' ' 54' ' ' VAL . 55.3 mt -143.67 109.6 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -46.11 116.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -62.23 168.52 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.23 13.85 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.2 -76.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.596 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.18 132.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 23.27 67.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 10.4 ptmt -162.85 149.74 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 46' ' ' LEU . 21.8 t -114.81 152.67 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 68.6 m-20 -110.15 124.9 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.403 HG13 ' CB ' ' A' ' 96' ' ' ALA . 22.7 mm -97.93 111.86 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 53.7 m-85 -107.78 148.3 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.21 118.87 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 11.7 mmmt -125.62 148.73 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.76 53.9 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.95 101.73 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -57.32 113.98 7.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.6 5.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.63 -41.84 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -50.16 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 73' ' ' LEU . 2.4 tt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -99.42 165.68 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.59 173.33 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.8 m120 49.25 29.46 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' A' ' 113' ' ' ARG . 8.6 m-20 -86.61 109.38 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.85 106.25 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 HG23 ' CG1' ' A' ' 82' ' ' ILE . 27.9 mt -70.86 110.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.42 -46.82 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.73 153.78 46.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CG1' HG23 ' A' ' 79' ' ' ILE . 95.6 mt -129.72 107.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.99 54.68 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 60.56 48.85 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.7 m -159.12 105.0 1.55 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.3 47.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 mt -94.82 31.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ASN . 11.2 p30 -55.51 176.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' ASP . 16.5 pt20 -35.07 -34.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . 73.8 m-20 -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -94.97 131.32 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m -84.01 -175.22 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.461 ' CG ' ' CB ' ' A' ' 45' ' ' ALA . 3.6 p-80 -64.51 -41.65 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.44 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.8 mt-30 -54.58 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -42.31 -44.69 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.403 ' CB ' HG13 ' A' ' 56' ' ' ILE . . . -50.7 -43.56 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.7 mt -66.27 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -60.35 -57.3 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.7 mt -37.46 -31.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ALA . 13.6 mt -83.81 -62.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.36 -15.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' THR . 13.9 mt-30 -99.74 -68.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.2 m -37.89 127.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.0 -176.83 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 39.82 -161.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 105' ' ' GLY . 2.8 m -31.93 139.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.851 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 51.0 tp -134.98 104.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 108' ' ' ARG . 2.3 tmm_? -87.98 135.01 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.0 mt -134.12 120.34 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.5 mt -92.19 100.24 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.02 160.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.8 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' NH1' ' OD2' ' A' ' 77' ' ' ASP . 15.0 mmt180 -134.0 164.83 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.2 t80 -47.19 -38.31 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -71.8 -34.09 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -72.68 -45.74 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.9 p -56.93 -45.37 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.6 mm -62.1 -50.55 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -58.78 -37.35 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.51 -37.36 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.5 mtp -73.82 -30.01 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.01 -33.2 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 61.19 38.82 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 -29.06 10.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.96 139.82 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -63.57 114.78 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.423 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 20.9 mt -86.91 140.16 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.39 126.4 33.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 110' ' ' ILE . 19.5 m-85 -82.34 101.65 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mm -89.76 101.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.18 104.91 17.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.449 ' CD1' HD13 ' A' ' 109' ' ' LEU . 37.8 mt -93.25 136.02 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 31' ' ' ILE . 4.8 tt0 -103.22 86.26 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 103' ' ' THR . 3.2 ttp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' CD2' ' HD2' ' A' ' 33' ' ' ARG . 1.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.94 12.68 80.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -108.11 173.11 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.2 m -141.18 149.26 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.0 m -118.35 144.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.38 120.26 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 57' ' ' PHE . 11.6 mt -133.74 109.41 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 1.9 tmm_? -56.25 128.05 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.489 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.9 t -79.71 176.1 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 43.7 tt0 -94.31 -39.86 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 26.3 m-20 -34.15 -64.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -173.21 -176.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.468 ' N ' HD21 ' A' ' 51' ' ' LEU . . . -43.12 89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.5 ptmt -168.11 155.25 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 15.2 t -120.94 148.95 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.458 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -111.36 112.62 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 26.1 mm -87.41 119.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 46' ' ' LEU . 69.3 m-85 -114.58 143.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.56 112.18 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 19.1 mmmt -121.29 152.24 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.21 54.41 3.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.04 103.34 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.49 128.55 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -11.87 31.82 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.8 68.69 0.54 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -158.08 150.51 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.365 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -106.82 164.21 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -77.1 163.07 26.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 m120 58.01 40.38 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 111' ' ' VAL . 7.2 m-20 -99.35 102.38 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 5.4 tt0 -64.26 99.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' CG1' ' A' ' 82' ' ' ILE . 59.7 mt -65.95 110.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.83 -49.26 14.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.97 151.24 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG1' HG23 ' A' ' 79' ' ' ILE . 67.9 mt -130.62 116.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 65.54 54.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 56.11 45.87 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.1 m -156.12 115.58 2.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.02 52.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -94.08 30.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' GLN . 10.6 p-10 -53.32 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -36.61 -39.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -47.87 -53.68 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.9 mt -97.49 132.05 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -90.21 -175.13 4.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.572 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.5 p-80 -64.75 -40.64 95.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.572 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 37.1 mt-30 -57.14 -61.57 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -44.32 -49.37 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.46 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.5 mt -53.88 -40.43 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.98 -65.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' ALA . 45.7 mt -35.46 -42.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 26.9 mt -64.1 -46.78 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 37.6 mt-30 -73.72 -21.25 60.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -117.65 64.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.49 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 1.9 m -152.25 105.0 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.83 173.13 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.59 -48.38 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -175.15 142.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.898 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 35.6 tp -116.54 102.73 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -89.72 133.26 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 31' ' ' ILE . 37.9 mt -140.09 120.9 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 28' ' ' TYR . 53.5 mt -101.21 107.7 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.413 ' CB ' ' HB3' ' A' ' 77' ' ' ASP . 24.2 m -108.43 159.89 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.1 163.58 12.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -141.31 153.23 45.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.3 t80 -39.57 -61.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.0 m-80 -51.71 -32.15 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' ASP . 5.3 t -72.45 -54.47 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.4 p -57.07 -42.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.5 -46.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -63.81 -25.82 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -80.76 -37.68 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.3 mtp -73.09 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.16 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 63.15 42.85 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -34.75 4.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -42.28 135.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.683 0.278 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.56 114.27 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.31 141.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -135.28 114.13 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -72.19 101.65 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 mm -90.78 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -89.02 100.51 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 107' ' ' LEU . 87.1 mt -93.07 133.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.4 tp10 -92.08 101.45 13.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.858 -179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.13 63.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 11.8 p90 -144.67 161.93 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.7 176.05 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.465 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 15.7 m -148.5 127.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.4 m -109.28 132.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.43 135.19 33.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 57' ' ' PHE . 16.8 mt -152.34 107.51 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' LEU . 2.3 tmm_? -34.73 128.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.4 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.2 t -76.28 146.18 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -82.59 19.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.76 -73.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.659 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -172.95 143.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.93 78.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' A' ' 48' ' ' SER . 8.3 ptmm? -176.34 162.18 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 39.8 t -118.64 154.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -115.14 116.28 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 29.8 mm -86.64 132.38 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 84.1 m-85 -124.35 132.24 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.7 t -70.21 115.27 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 13.2 mmmt -115.84 168.72 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 41.85 54.85 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.4 t -73.86 91.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -42.78 127.95 3.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.55 69.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.02 42.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -107.9 168.17 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -81.68 160.3 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 62.95 27.41 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -88.06 102.84 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -66.26 110.35 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.448 HG22 ' CG1' ' A' ' 82' ' ' ILE . 39.2 mt -74.95 114.49 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 75.8 mt -83.67 -47.81 10.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.6 145.91 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 HG21 ' CD2' ' A' ' 109' ' ' LEU . 73.9 mt -126.84 117.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.9 m120 62.52 51.01 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 59.86 46.75 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 m -155.41 116.29 2.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.03 46.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.2 mt -93.73 33.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -58.25 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.42 -25.9 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -60.32 -57.52 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -99.08 135.4 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.46 -174.94 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.5 p-80 -62.19 -45.26 94.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.506 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 68.5 mt-30 -53.79 -61.06 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.01 -42.6 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.16 67.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.7 mt -63.06 -46.22 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -52.45 -59.45 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.6 mt -38.26 -34.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 109' ' ' LEU . 23.6 mt -79.65 -64.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.24 -14.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -100.6 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 104' ' ' THR . 17.7 m -40.29 133.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 103' ' ' THR . 1.1 p -130.87 174.99 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.21 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -130.79 148.84 52.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' ILE . 29.6 tp -134.58 132.19 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -125.35 99.25 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 82' ' ' ILE . 42.5 mt -105.13 126.96 52.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 63.4 mt -105.27 103.06 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.3 m -105.0 155.96 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.97 166.34 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -142.96 139.75 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.09 -40.32 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -72.38 -23.91 61.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -84.24 -45.11 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -60.58 -48.33 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.09 -46.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -59.69 -28.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -76.49 -44.92 33.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.3 mtp -65.46 -38.59 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.12 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 62.19 43.68 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 96.47 -39.81 2.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 58.8 mtm180 -37.9 137.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.299 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.09 116.97 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 27' ' ' GLU . 39.9 mt -88.86 142.32 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 26' ' ' ILE . 5.2 mm-40 -134.45 168.33 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -116.75 118.79 33.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG21 ' CD1' ' A' ' 73' ' ' LEU . 16.8 mm -110.32 101.08 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.35 101.7 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -94.94 129.59 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -86.68 96.52 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.446 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 3.2 mmm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.832 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.446 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 1.5 mt . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.19 14.69 71.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.5 p90 -144.8 126.97 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -85.45 172.21 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 35.4 m -147.05 148.62 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB2' ' CG ' ' A' ' 93' ' ' HIS . . . -104.72 124.1 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.419 ' C ' HG13 ' A' ' 54' ' ' VAL . 7.2 mt -142.8 109.15 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -55.59 115.46 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -67.99 146.52 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -79.19 44.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -110.4 -75.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.6 OUTLIER -174.22 109.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 34.33 68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -160.28 154.95 24.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CB ' ' HB3' ' A' ' 93' ' ' HIS . 42.0 t -128.9 144.43 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -104.99 117.25 33.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.446 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 40.0 mm -86.38 110.31 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -98.0 140.24 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 73' ' ' LEU . 94.6 t -82.09 104.43 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -115.87 150.09 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 69.44 46.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.7 t -71.67 94.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -53.64 120.63 23.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -16.06 37.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.28 39.94 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p -129.79 166.66 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 29' ' ' ILE . 1.7 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -113.58 165.35 12.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -82.64 160.43 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.86 25.61 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . 82.0 m-20 -85.32 99.92 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -64.16 100.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' CG1' ' A' ' 82' ' ' ILE . 43.0 mt -65.9 103.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.14 -43.13 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.67 152.89 50.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG1' HG23 ' A' ' 79' ' ' ILE . 66.6 mt -132.11 109.0 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 66.22 48.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 65.24 52.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.5 m -164.96 111.22 0.83 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 141.98 46.6 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -87.46 34.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -57.63 179.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -41.84 -43.1 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -44.11 -50.47 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.4 mt -101.79 141.81 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -96.99 179.05 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 54' ' ' VAL . 3.6 p-80 -59.35 -40.67 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 72.4 mt-30 -57.1 -66.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -40.09 -47.62 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.91 -52.46 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.0 mt -57.02 -40.06 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.73 -64.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.4 mt -34.67 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 19.1 mt -75.53 -52.9 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 36.0 mt-30 -67.37 -17.86 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.36 49.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.416 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 16.0 m -155.89 112.66 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.08 155.71 25.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.85 -74.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 m -134.54 137.95 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.6 tp -134.88 103.3 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -88.81 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' CD2' HG22 ' A' ' 82' ' ' ILE . 57.2 mt -126.75 114.3 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.65 100.25 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 77' ' ' ASP . 26.9 m -105.2 162.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.52 160.95 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -143.76 168.76 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.908 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.2 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -38.16 -53.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.2 -33.96 71.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.0 t -73.36 -57.28 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.98 -46.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.2 mm -64.95 -49.14 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -61.76 -26.61 68.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 29.9 mt-30 -80.28 -37.68 32.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.7 mtp -75.77 -33.83 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.96 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.7 mm-40 57.83 49.28 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.66 -31.19 3.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -42.64 136.48 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -62.63 117.07 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.43 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 51.0 mt -88.34 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -136.0 132.59 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.47 102.62 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -89.19 103.26 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.89 103.64 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.18 130.85 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.84 104.15 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 103' ' ' THR . 7.4 mmm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.7 16.3 66.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 4.6 p90 -149.12 154.19 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -109.39 175.84 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.35 147.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.486 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 29.6 m -117.08 134.52 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.8 127.22 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.7 mt -146.22 112.57 5.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -47.44 124.79 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 t -71.25 174.23 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.87 -0.51 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -73.55 -75.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.651 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -175.54 149.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.651 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 4.77 78.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -173.25 160.53 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.56 142.55 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 32.5 m-20 -101.32 119.01 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.4 mm -88.49 121.67 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 14.7 m-85 -113.69 145.37 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -79.51 125.27 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.498 ' HZ2' ' ND2' ' A' ' 76' ' ' ASN . 19.2 mmtt -135.17 164.43 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 48.78 54.7 10.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' GLN . 61.7 t -75.58 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' VAL . 59.6 mt-30 -38.06 116.47 0.87 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.737 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -3.96 13.05 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.92 45.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -143.24 -179.09 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 74' ' ' LYS . 2.1 tt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -121.11 155.21 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.67 151.1 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' ND2' ' HZ2' ' A' ' 59' ' ' LYS . 16.7 m120 65.83 53.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.65 104.65 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.559 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.0 tt0 -69.05 99.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.6 mt -65.4 117.65 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.58 -43.45 14.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.24 150.25 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.6 mt -132.11 118.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 63.64 49.23 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 60.4 52.74 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 m -162.37 114.7 1.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.65 51.75 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 45.07 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -70.67 179.91 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -37.6 -37.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.13 -60.18 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.9 mt -93.28 136.95 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -92.61 -174.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.6 p-80 -62.83 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 56.5 mt-30 -51.7 -65.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -44.29 -45.8 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.13 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.1 mt -65.33 -43.9 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.76 -55.79 26.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -43.96 -47.65 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 10.9 mt -68.9 -55.29 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -59.31 -13.75 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -124.11 65.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.494 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 2.9 m -131.27 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 165.39 27.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.2 p -131.35 135.92 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 tp -112.29 101.34 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.67 126.07 37.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.0 mt -131.8 133.26 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.43 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 83.4 mt -109.56 100.57 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.0 157.28 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.53 163.08 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -142.72 136.55 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 -179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.09 -31.29 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -77.97 -29.29 49.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -79.18 -46.04 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 p -53.89 -50.05 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.2 mm -61.29 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.02 -34.38 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -72.13 -35.28 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.3 mtp -75.53 -34.55 60.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.97 71.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 57.41 48.28 14.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.45 -34.54 4.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -46.01 134.1 8.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -63.25 114.49 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mt -82.01 144.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -137.56 131.22 31.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -87.84 106.88 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mm -87.77 130.58 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.17 107.4 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 32' ' ' GLU . 65.7 mt -107.41 135.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 31' ' ' ILE . 21.3 mt-10 -99.08 92.17 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.6 11.31 72.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CD2' HG11 ' A' ' 58' ' ' VAL . 5.8 p90 -149.59 147.53 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -110.53 171.66 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 22.2 m -142.44 149.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -110.46 162.49 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.49 127.38 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.7 mt -146.61 117.48 7.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.47 121.61 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -76.9 136.28 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' NE2' ' CG ' ' A' ' 50' ' ' ASN . 3.4 pp0? -40.24 -36.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' CG ' ' NE2' ' A' ' 49' ' ' GLN . 10.4 m120 -57.97 -175.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 55.0 tp -40.86 162.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 51' ' ' LEU . . . -47.96 87.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.3 ptpp? -146.04 160.78 41.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' HIS . 13.4 t -119.08 141.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 40.8 m-20 -106.35 113.92 27.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 17.3 mm -86.07 118.22 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 61.3 m-85 -115.07 136.28 53.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG11 ' CD2' ' A' ' 41' ' ' PHE . 85.5 t -71.01 116.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.08 163.97 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t70 52.5 54.61 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLN . 90.9 t -69.48 77.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' VAL . 16.5 mt-30 -34.41 112.2 0.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -13.06 34.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.2 29.02 6.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -126.38 171.06 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -118.52 170.86 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -74.54 163.21 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 53.26 52.21 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . 19.3 m-20 -108.53 110.27 21.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -71.23 117.32 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mm -74.59 101.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.9 mt -75.69 -34.6 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.74 149.0 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.2 mt -130.15 123.06 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.4 m120 54.29 49.9 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 62.1 54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 m -166.13 109.55 0.72 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.183 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.91 55.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.5 mt -94.91 40.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' GLN . 25.4 t0 -58.34 173.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' ASP . 8.8 pt20 -37.37 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.97 138.14 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 m -87.73 -174.94 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 54' ' ' VAL . 3.0 p-80 -67.47 -40.03 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 11.3 mm-40 -57.98 -64.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -40.16 -45.96 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.35 -49.32 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.9 mt -61.72 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.88 -61.76 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' ALA . 39.1 mt -36.44 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 98' ' ' ALA . 27.8 mt -80.44 -54.24 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.81 -12.35 61.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.7 30.6 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.3 m -143.27 105.16 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.62 175.17 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.76 -82.71 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 m -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.4 HD21 ' CD2' ' A' ' 100' ' ' LEU . 59.8 tp -120.19 105.95 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttm105 -89.36 135.88 33.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 31' ' ' ILE . 22.9 mt -138.26 165.91 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 67.7 mt -140.15 115.55 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 77' ' ' ASP . 16.5 m -123.64 154.82 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.41 164.43 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -142.7 140.79 31.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 24.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -39.36 -37.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.65 -38.26 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -68.82 -49.67 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 p -54.21 -48.14 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.2 mm -62.95 -48.06 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -61.14 -29.6 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -76.43 -41.06 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mtp -69.43 -27.76 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.3 55.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 65.36 42.93 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 94.18 -37.37 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' GLY . 59.0 mtm180 -36.62 137.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -64.71 115.32 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 27' ' ' GLU . 39.7 mt -87.4 140.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 26' ' ' ILE . 37.8 mm-40 -131.64 118.57 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -69.7 102.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.2 mm -88.96 105.68 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 5.8 p-10 -91.01 100.44 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -97.42 130.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.09 99.37 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.852 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 41' ' ' PHE . 2.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.43 8.11 36.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CE2' HD11 ' A' ' 39' ' ' LEU . 3.2 p90 -138.9 141.48 38.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 m -94.71 171.72 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.477 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.4 m -141.88 153.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.5 m -122.92 147.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.18 132.59 46.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 HD13 ' CE1' ' A' ' 57' ' ' PHE . 46.1 mt -147.02 109.07 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.7 tmm_? -49.29 122.48 6.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.471 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -74.43 -180.0 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -102.84 -35.62 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -38.05 -67.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -167.11 172.49 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -33.61 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 51' ' ' LEU . 10.1 ptmm? -171.07 166.12 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.453 ' CB ' ' HB3' ' A' ' 93' ' ' HIS . 22.8 t -121.48 158.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' OD2' ' CB ' ' A' ' 48' ' ' SER . 66.8 m-20 -117.17 114.07 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 14.4 mm -88.22 112.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 78' ' ' GLN . 97.2 m-85 -104.46 141.45 36.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.7 t -78.22 107.84 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mmtp -115.73 151.74 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.39 54.65 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.32 95.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -39.77 116.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.14 53.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 m -151.44 172.62 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -107.16 151.73 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 156.87 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 60.55 33.92 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.87 122.56 39.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.543 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 14.0 tt0 -82.77 121.34 26.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.412 ' CD1' ' O ' ' A' ' 56' ' ' ILE . 3.5 mp -82.01 108.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -76.49 -33.23 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.47 147.35 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 ' CG1' HG21 ' A' ' 79' ' ' ILE . 33.1 mt -126.22 114.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 63.22 47.77 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 64.06 54.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 35.4 m -162.9 109.29 1.04 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.4 Cg_endo -69.69 142.56 48.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.4 mt -90.27 38.8 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ASN . 14.5 p-10 -57.43 176.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -41.09 -24.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 5.1 m120 -61.71 -57.32 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -92.99 135.84 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.3 m -91.85 178.58 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 54' ' ' VAL . 3.1 p-80 -59.07 -40.76 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 30.0 mt-30 -56.72 -66.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -41.72 -43.36 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.08 -38.13 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 102' ' ' GLN . . . -59.97 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.8 mt -38.23 -35.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.3 mt -71.21 -64.2 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.33 -6.52 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 103' ' ' THR . 22.0 mt-30 -86.47 -75.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 102' ' ' GLN . 0.6 OUTLIER -32.02 147.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.1 m -125.91 14.22 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -152.64 -147.85 4.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 105' ' ' GLY . 18.7 p -37.0 118.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.7 tp -124.07 119.17 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -113.25 127.22 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -123.88 110.55 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.13 103.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -106.36 161.16 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -128.62 159.47 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -45.03 -35.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.4 -30.63 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.2 t -78.19 -49.45 13.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 p -54.02 -44.99 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.19 -48.11 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -61.44 -31.25 71.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -75.04 -37.2 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.3 mtp -74.73 -34.83 62.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.22 38.48 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -28.95 9.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -41.36 140.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.7 tt0 -62.67 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.71 142.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -137.97 154.97 49.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.8 101.41 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.18 109.3 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -85.11 115.75 23.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 109' ' ' LEU . 41.3 mt -112.27 135.45 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.81 99.41 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' ' 41' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.12 12.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -156.01 142.57 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -108.02 175.9 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.05 152.59 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 18.8 m -124.23 129.56 74.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 130.34 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.6 mt -145.99 107.32 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 47' ' ' ARG . 1.9 tmm_? -44.6 115.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.2 t -72.91 123.17 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' SER . 29.8 mt-30 -33.69 -34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' SER . 72.4 m-20 -57.12 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -51.96 174.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.474 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.01 89.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' LEU . 5.2 ptmm? -164.98 146.33 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' HIS . 29.9 t -115.23 152.97 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -109.96 119.38 39.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -92.24 116.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 85.6 m-85 -113.22 137.81 50.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.92 114.12 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmmt -118.26 177.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.12 45.37 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 62' ' ' GLN . 80.2 t -67.42 85.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 61' ' ' VAL . 10.0 mm100 -34.39 116.46 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.58 5.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.56 49.76 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -143.95 179.22 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.945 0.402 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -88.48 157.73 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.11 153.5 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 58.64 42.47 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.6 113.77 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.7 tt0 -71.65 115.26 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.453 HG21 ' CG1' ' A' ' 82' ' ' ILE . 21.7 mt -79.13 114.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.1 -43.38 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.18 153.0 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.453 ' CG1' HG21 ' A' ' 79' ' ' ILE . 73.5 mt -130.94 107.97 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.1 m120 62.77 46.7 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 69.68 48.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 m -158.4 105.05 1.67 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.2 44.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 mt -90.14 39.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 90' ' ' ASN . 28.9 t70 -64.67 173.21 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' ASP . 4.0 pt20 -36.6 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' ASP . 3.9 m120 -54.27 -54.72 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 92' ' ' SER . 2.5 mt -98.65 142.63 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' HG21 ' A' ' 91' ' ' ILE . 48.3 m -94.15 -179.49 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 54' ' ' VAL . 3.0 p-80 -62.23 -41.88 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.448 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 5.3 mm-40 -56.24 -64.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -44.43 -47.4 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.98 42.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 mt -59.89 -46.4 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.13 -58.17 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -37.94 -38.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.91 -55.89 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.2 -15.43 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 103' ' ' THR . 22.0 mt-30 -101.05 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 102' ' ' GLN . 5.1 m -36.58 106.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.5 m -87.92 160.18 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 59.07 -158.69 20.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.535 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 105' ' ' GLY . 1.7 m -32.24 146.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' ILE . 55.8 tp -139.75 106.09 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.66 113.61 25.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 31' ' ' ILE . 81.0 mt -116.82 117.75 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.4 mt -87.42 101.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -107.68 154.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 162.38 13.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLN . 16.3 ttm-85 -132.94 153.13 51.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -43.12 -48.68 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -62.43 -29.5 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.3 t -76.95 -56.16 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -48.04 -45.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -62.87 -50.51 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -59.82 -31.33 69.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.95 -37.92 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.7 mtp -73.93 -37.32 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -39.03 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.7 43.12 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.4 -29.39 8.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -41.41 136.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -61.84 109.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.428 ' CG2' HG22 ' A' ' 110' ' ' ILE . 42.5 mt -85.14 144.41 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -140.91 137.04 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.6 108.84 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' A' ' 73' ' ' LEU . 13.9 mm -95.78 101.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.55 126.71 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.9 mt -120.73 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.04 92.49 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' NE ' ' O ' ' A' ' 103' ' ' THR . 4.8 mmm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.29 10.85 63.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.4 p90 -140.9 137.0 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -97.7 173.17 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.6 m -143.49 149.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -117.77 134.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.36 124.49 38.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.4 mt -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.9 tmm_? -40.64 123.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.0 t -67.64 178.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -100.59 -13.35 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -72.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -176.29 144.01 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.34 80.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 19.1 ptmt -166.96 171.91 10.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 33.0 t -128.8 145.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.1 m-20 -107.43 114.7 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.452 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 17.5 mm -88.13 104.75 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 78.8 m-85 -99.68 133.64 43.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG11 ' CG2' ' A' ' 61' ' ' VAL . 32.5 t -72.79 108.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.3 mmmt -113.18 161.86 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 51.23 51.5 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.432 ' CG2' HG11 ' A' ' 58' ' ' VAL . 93.1 t -75.41 92.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -54.09 120.14 23.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.27 44.38 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' VAL . 19.5 m -144.17 144.52 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 29' ' ' ILE . 3.5 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' HD23 ' A' ' 73' ' ' LEU . 4.8 mmmm -108.86 163.41 13.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.63 166.86 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 56.92 32.64 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -90.88 102.09 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.51 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.6 tt0 -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.441 HG23 ' CG1' ' A' ' 82' ' ' ILE . 79.1 mt -64.54 103.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.37 -47.53 55.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.42 153.06 51.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.441 ' CG1' HG23 ' A' ' 79' ' ' ILE . 74.2 mt -131.95 112.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 64.18 45.22 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t60 67.3 50.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.9 m -161.12 106.71 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 144.35 53.27 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.33 43.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' ASN . 36.5 t0 -65.08 174.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 10.7 pt20 -35.44 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' ASP . 39.1 m-20 -55.59 -57.51 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 92' ' ' SER . 3.7 mt -94.67 142.39 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' HG21 ' A' ' 91' ' ' ILE . 19.2 m -94.69 -176.2 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 3.9 p-80 -64.66 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.89 -66.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -39.93 -47.16 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.02 -51.8 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -56.56 -45.08 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -51.62 -61.3 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.8 mt -35.5 -42.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.0 -46.69 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.5 mt-30 -75.17 -10.01 59.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.22 40.39 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.427 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.0 m -142.54 105.49 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -91.92 142.79 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 85.84 -174.71 48.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' GLY . 57.7 p -33.55 122.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.394 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.0 tp -112.1 103.32 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -80.42 127.22 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.0 mt -132.36 111.01 10.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.428 HG22 ' CG2' ' A' ' 26' ' ' ILE . 89.4 mt -86.53 100.32 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -105.58 158.22 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -133.56 157.67 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.891 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -130.09 145.26 51.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -146.21 162.33 38.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 126.27 2.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -148.82 172.54 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -104.06 86.53 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.18 -118.74 4.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 mt -148.12 167.86 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.22 -127.54 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -42.39 -50.27 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.35 122.97 47.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.68 169.16 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.09 -33.59 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.7 -27.09 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -82.05 -48.44 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.28 -47.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -65.29 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.39 -21.68 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -86.62 -35.65 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.3 mtp -75.32 -34.87 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.32 -37.63 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.89 44.73 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -26.09 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -48.39 141.02 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.07 119.08 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 41.0 mt -93.86 138.66 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -131.56 141.51 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -97.05 101.62 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mm -89.32 101.17 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -88.15 117.54 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 32' ' ' GLU . 29.2 mt -111.08 137.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 31' ' ' ILE . 9.0 tt0 -92.54 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.01 112.74 8.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.722 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.76 174.36 9.62 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -96.47 -50.72 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.4 p -99.0 16.91 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . -138.52 -164.4 9.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.93 -178.0 16.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -48.84 -33.02 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 12.14 84.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 5.9 p90 -142.48 157.88 44.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -114.11 174.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.19 151.36 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -120.71 140.73 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.97 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 mt -139.59 109.94 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 2.0 tmm_? -51.59 128.19 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.49 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 7.6 t -79.18 -176.74 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -105.69 -31.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -43.24 -58.53 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.3 tt -173.03 157.26 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . -27.17 90.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 51' ' ' LEU . 9.0 ptpt -162.03 173.85 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 16.0 t -130.88 132.82 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 77.2 m-20 -98.17 113.22 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.9 mm -86.41 125.13 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 56.2 m-85 -120.96 140.29 52.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 61' ' ' VAL . 48.0 t -77.11 114.05 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 10.4 mmmt -122.83 156.29 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.17 51.93 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' A' ' 58' ' ' VAL . 53.2 t -74.21 82.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -40.66 103.34 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 84.14 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.304 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.32 -21.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.412 ' C ' ' HG2' ' A' ' 69' ' ' ARG . 23.2 p -79.55 177.27 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 67' ' ' ALA . 7.0 p -45.97 -45.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' N ' HG12 ' A' ' 66' ' ' VAL . . . -46.42 -31.67 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.58 -69.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 65' ' ' SER . 7.5 ptp180 -42.87 -28.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -105.67 -67.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 30' ' ' ASP . 7.3 tp60 -91.63 176.29 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -116.56 34.06 5.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 31' ' ' ILE . 1.8 tt -58.13 122.78 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -95.12 161.34 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -78.97 159.82 27.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 59.21 37.0 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -100.53 102.4 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.484 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 4.3 tt0 -61.69 111.91 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.465 HG21 ' CG1' ' A' ' 82' ' ' ILE . 12.3 mt -76.67 114.5 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.38 -44.77 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.19 151.87 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CG1' HG21 ' A' ' 79' ' ' ILE . 74.2 mt -131.86 109.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' H ' ' A' ' 108' ' ' ARG . 11.0 m120 64.51 47.11 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 66.87 47.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.9 m -159.12 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.05 49.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.86 33.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.7 t0 -58.31 174.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 4.8 pt20 -36.82 -33.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ASP . 17.3 m120 -53.52 -57.8 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.4 mt -92.29 135.4 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 -174.68 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.461 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 3.6 p-80 -68.42 -39.04 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.403 ' HG2' ' NE2' ' A' ' 93' ' ' HIS . 3.6 mm100 -58.75 -59.62 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -44.87 -45.71 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.65 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.06 -45.14 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.46 -61.46 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.7 mt -37.61 -34.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.06 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.06 -16.44 12.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' THR . 37.2 mt-30 -97.99 -66.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' GLN . 5.3 m -36.6 117.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.5 m -111.82 167.96 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.08 -80.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 m -117.83 133.41 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.824 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.3 tp -129.28 109.94 11.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.45 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 35.9 ttp180 -96.07 146.43 24.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 108' ' ' ARG . 41.9 mt -143.32 117.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 56.4 mt -94.91 100.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.29 159.28 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.3 18.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.412 HH22 ' NE ' ' A' ' 72' ' ' ARG . 8.0 mtt180 -141.01 142.83 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 41.7 tt0 -79.53 137.89 55.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.79 176.22 7.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.272 . . . . 0.0 112.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 p -95.78 148.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.438 ' CE1' ' HE3' ' A' ' 119' ' ' LYS . 5.7 p80 -158.44 107.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' HIS . 82.3 p 35.81 36.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 117' ' ' HIS . 17.5 mmtp -85.66 -62.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t 68.96 46.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.3 m -69.15 112.17 5.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.1 m -63.47 116.88 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -142.81 128.92 19.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.62 145.9 15.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.43 27.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.6 p -115.18 127.85 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -104.27 150.95 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -122.46 144.6 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 p -56.76 -49.18 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.58 -157.27 27.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -52.94 152.37 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.813 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -117.61 121.74 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 150.3 6.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -43.98 111.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.92 -107.63 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -42.17 -54.94 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.59 134.24 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -119.6 148.82 42.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' ASP . 14.1 t80 -34.13 -61.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 59.7 m-80 -53.52 -38.28 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -67.89 -56.7 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.5 p -54.17 -43.23 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -63.09 -49.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -58.57 -33.69 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 24.2 mm-40 -71.62 -38.95 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.3 mtp -72.25 -36.06 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.12 88.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 32.2 mm-40 62.45 46.99 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.14 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -45.59 143.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.22 116.58 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.87 144.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.85 130.2 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -85.98 102.25 13.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.7 mm -94.01 111.48 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' OD1' ' CD ' ' A' ' 71' ' ' GLN . 7.0 p-10 -99.55 119.64 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 32' ' ' GLU . 80.7 mt -115.6 132.34 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' N ' HG23 ' A' ' 31' ' ' ILE . 16.9 mt-10 -92.37 96.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -44.55 124.89 4.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 53.9 Cg_endo -69.75 -175.84 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.7 m -98.73 -58.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.3 p -95.43 -22.98 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . -93.6 -149.07 24.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.37 -159.69 9.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -58.95 -21.84 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.927 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.07 13.19 40.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 3.7 p90 -142.09 131.81 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -90.82 172.55 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 m -140.83 156.67 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 m -122.6 139.91 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.45 121.66 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -139.62 113.15 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -58.09 138.44 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -84.72 163.94 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -83.04 -25.85 31.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -50.57 -66.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -172.36 -174.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -41.4 91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.2 ptmt -171.95 148.53 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 12.0 t -119.4 137.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -101.02 112.67 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.5 mm -86.48 117.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.513 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 61.4 m-85 -110.62 143.32 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.8 t -79.07 109.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 19.8 mmmt -116.2 157.91 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.8 t70 55.53 53.12 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.495 ' CG2' ' OE1' ' A' ' 75' ' ' GLU . 37.2 t -74.36 107.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -57.87 115.45 11.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.27 8.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.07 67.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -168.64 170.93 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -46.41 -23.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.14 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -122.59 -59.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -38.14 -35.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.87 -68.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' CD ' ' OD1' ' A' ' 30' ' ' ASP . 7.8 tp60 -125.96 163.58 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -68.12 126.26 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tt -156.4 124.16 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -108.21 168.14 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.495 ' OE1' ' CG2' ' A' ' 61' ' ' VAL . 1.4 tp10 -74.65 155.25 37.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 65.43 49.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -106.3 99.15 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.9 tt0 -65.38 103.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.5 mt -69.53 106.16 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.37 -47.74 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.32 152.72 51.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 86.0 mt -132.0 115.84 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.2 m120 59.84 43.47 15.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 70.35 46.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 39.9 m -154.82 106.86 2.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.2 Cg_endo -69.78 144.09 52.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.52 48.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.3 p30 -72.28 173.64 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' ASP . 16.4 pt20 -36.51 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -57.38 -48.8 78.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 92' ' ' SER . 3.3 mt -105.05 138.3 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 91' ' ' ILE . 2.6 m -93.28 -174.8 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.476 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.6 p-80 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mt-30 -52.92 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -39.09 -51.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.56 -51.38 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.11 -39.23 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.8 -65.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 40.5 mt -34.41 -37.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.1 mt -71.05 -49.21 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.8 mt-30 -74.23 -13.9 60.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.463 ' CG ' ' HA ' ' A' ' 99' ' ' LEU . 5.3 pt20 -115.32 39.8 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.4 m -145.85 123.17 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.32 -177.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.87 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p -123.98 143.38 50.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.6 tp -130.12 103.02 6.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -85.5 130.0 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.0 mt -136.92 113.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -98.1 100.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.4 m -105.02 157.85 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.56 163.76 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -144.82 133.8 22.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -75.96 136.99 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.59 5.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 8.1 p -98.53 151.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -129.91 172.51 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 36.1 m -70.74 127.63 33.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -157.77 151.61 24.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.5 p -112.54 172.82 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -170.26 164.32 8.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 t -118.76 161.81 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.0 m -163.93 172.56 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 179.78 73.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 175.93 7.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.4 t -142.12 133.63 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -49.48 131.86 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -97.72 169.33 9.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -137.09 136.31 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.99 167.62 42.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -126.26 -51.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -130.99 140.36 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.77 -172.63 37.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -125.35 -51.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.37 -128.4 6.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -83.54 -41.64 17.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.54 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.9 p30 -91.75 161.87 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.434 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 14.4 t80 -38.1 -55.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -57.93 -32.42 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -73.3 -55.64 6.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.4 p -51.7 -41.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.5 mm -65.01 -51.53 65.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -58.66 -30.34 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -75.56 -37.95 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.7 mtp -75.1 -31.06 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.6 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 57.92 51.46 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 -33.69 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -42.66 137.11 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.86 115.56 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 34.5 mt -82.88 142.92 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -137.09 115.38 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CD2' HG12 ' A' ' 110' ' ' ILE . 43.3 m-85 -73.05 104.72 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.442 ' CG1' HG21 ' A' ' 111' ' ' VAL . 24.5 mm -88.43 116.64 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.24 122.64 35.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 109' ' ' LEU . 82.9 mt -123.28 128.15 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.47 100.01 12.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -46.29 106.89 0.61 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' GLY . 28.4 p -61.35 -176.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' GLY . 79.4 p -39.45 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -35.85 -90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.75 169.8 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 1.1 mt -56.72 -29.5 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.79 88.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.6 p90 -138.38 137.41 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -97.85 173.88 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.15 154.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 1.9 m -120.81 140.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.62 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.0 mt -130.96 120.02 22.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -55.58 121.09 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -79.45 145.55 33.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -85.7 36.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -101.39 -73.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -173.41 105.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 34.37 77.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -171.43 157.08 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -121.11 137.26 55.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -95.21 117.74 30.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.3 mm -88.28 117.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -110.43 141.72 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -80.4 106.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 14.9 mmmt -111.08 164.72 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 50.85 48.32 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.8 96.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -49.75 122.65 13.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.11 54.99 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.9 m -151.54 160.04 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 8.6 p -37.0 -37.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -36.74 -59.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASP . 9.8 t0 -109.33 -57.28 2.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 ptm180 -35.97 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.0 t70 -79.33 -69.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 167.8 19.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -58.23 124.87 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tt -160.64 117.56 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -104.96 164.31 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -74.2 163.99 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 59.82 25.16 14.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -81.62 103.01 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.25 99.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.3 mt -69.18 110.09 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.3 -50.29 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.09 150.5 52.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 HG12 ' CD2' ' A' ' 109' ' ' LEU . 89.0 mt -131.99 118.67 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.6 m120 58.51 51.49 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 60.28 54.0 4.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.6 m -166.77 109.11 0.66 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.193 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.5 48.14 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.77 34.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -56.04 178.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.1 pp0? -43.18 -31.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.42 -41.73 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.9 mt -109.13 139.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.8 m -96.39 -174.82 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.5 p-80 -61.08 -49.12 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 36.9 mt-30 -49.4 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -40.4 -48.77 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.42 -48.62 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.21 -40.68 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.59 -55.76 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.4 mt -43.63 -52.39 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.9 mt -53.15 -57.49 10.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.53 -15.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -114.19 42.6 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 53.5 m -145.04 106.85 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.68 140.74 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -71.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.6 p -136.25 132.86 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 41.2 tp -123.0 101.77 7.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.408 ' NH1' HD12 ' A' ' 110' ' ' ILE . 5.2 tmm_? -98.33 112.34 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 82' ' ' ILE . 42.3 mt -114.63 120.94 41.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 69.0 mt -96.25 102.43 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.442 HG21 ' CG1' ' A' ' 29' ' ' ILE . 26.0 m -105.03 155.97 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.59 165.17 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -139.17 151.15 46.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -90.97 136.71 27.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 178.15 4.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.3 138.87 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -125.82 -53.0 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 m -135.73 124.63 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -76.76 153.03 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 t -136.48 156.72 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 t -129.97 88.53 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -131.83 133.51 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.2 p -159.08 176.62 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -127.02 169.72 18.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.01 7.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 t -149.0 176.95 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' GLY . 6.4 t -142.63 171.43 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -70.83 84.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t 50.97 41.1 26.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.47 -42.18 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -117.79 95.08 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -106.67 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 123.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.95 -58.06 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.19 -147.62 18.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -48.21 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 132.01 34.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -104.02 149.37 25.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.6 t80 -34.72 -60.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 62.4 m-80 -54.2 -36.67 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.6 t -68.77 -56.56 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.5 p -53.71 -42.99 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.9 mm -64.87 -50.69 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -58.41 -25.79 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 13.5 mt-30 -78.68 -39.29 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.0 mtp -72.79 -34.9 67.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.99 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.1 mm-40 62.23 45.28 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 -28.08 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -40.26 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.45 111.97 8.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.5 mt -95.02 139.05 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -137.21 157.94 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -102.53 102.07 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -88.06 101.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.82 102.07 13.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.82 128.61 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.8 90.57 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 7.1 mmt180 -44.04 120.99 3.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.56 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.1 m -72.28 -64.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.5 p -112.67 -18.96 12.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 179.3 17.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.69 176.77 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD21 ' CZ ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.64 -28.16 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.53 19.49 79.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 2.4 p90 -150.88 138.63 19.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -98.93 175.47 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.99 151.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.22 136.27 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.13 120.11 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mt -136.56 109.44 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.8 tmm_? -46.86 126.9 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.492 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.1 t -83.43 174.03 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -101.54 -9.2 21.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -52.17 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' GLY . 1.2 tm? -175.04 107.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 36.1 76.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -165.61 173.95 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 55' ' ' ASP . 19.4 t -130.36 147.44 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' HG11 ' A' ' 54' ' ' VAL . 82.8 m-20 -105.99 113.85 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.6 mm -86.82 117.18 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.456 ' CE1' ' CG ' ' A' ' 78' ' ' GLN . 90.3 m-85 -112.82 140.47 47.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 73' ' ' LEU . 54.0 t -81.39 119.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -133.4 160.62 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t70 63.86 50.34 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.35 90.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -41.46 121.95 2.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.18 32.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.58 63.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -153.38 -178.61 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.64 -45.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.08 69.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.11 -57.12 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.8 -22.8 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' GLN . 27.0 t0 -61.56 -18.29 58.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' ASP . 16.7 pt20 34.74 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.5 mmt180 -128.05 -44.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.3 tt -84.71 128.34 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.72 167.62 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.39 153.74 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 61.52 24.91 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -88.48 101.58 14.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -63.82 118.13 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.484 ' N ' ' OE1' ' A' ' 78' ' ' GLN . 33.2 mt -78.77 102.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.89 -44.27 73.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.77 153.84 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 HG23 ' CD2' ' A' ' 109' ' ' LEU . 62.0 mt -131.98 111.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 62.73 48.07 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t60 66.02 54.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.7 m -166.1 111.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 143.17 50.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.59 49.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' GLN . 11.2 t70 -72.48 175.82 5.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.3 pp0? -35.67 -37.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -50.37 -54.14 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.8 mt -95.6 135.76 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.5 m -90.53 -174.79 4.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.484 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.0 p-80 -65.83 -39.92 91.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.484 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 56.8 mt-30 -57.54 -62.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -44.8 -43.35 8.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.25 -47.68 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 mt -62.96 -38.93 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.69 -61.26 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -38.86 -27.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' ALA . 42.2 mt -80.73 -66.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -60.74 -12.09 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -114.12 44.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.0 m -153.94 108.88 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.2 m -104.43 168.01 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 33' ' ' ARG . . . 75.92 -83.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.426 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -118.36 146.56 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.4 tp -138.99 105.46 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -91.48 130.86 37.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.403 ' CD2' HG23 ' A' ' 82' ' ' ILE . 49.4 mt -134.69 117.63 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 98.8 mt -93.66 100.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.34 162.17 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.14 167.43 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.13 153.61 46.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -101.63 130.35 24.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.4 2.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.26 . . . . 0.0 112.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.3 t -124.64 101.08 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.506 ' CE1' ' OG1' ' A' ' 118' ' ' THR . 20.0 p80 -91.92 -44.5 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.506 ' OG1' ' CE1' ' A' ' 117' ' ' HIS . 93.6 m -110.18 128.82 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 152.4 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -68.07 139.17 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -91.06 63.09 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 122' ' ' THR . 1.4 t -171.88 128.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.9 p -78.64 136.73 37.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.74 133.58 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 127' ' ' SER . 30.8 t -46.43 127.43 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 126' ' ' SER . 4.3 t -34.74 107.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.806 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -103.12 176.27 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -98.42 117.91 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -151.09 10.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -173.74 114.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -71.32 -55.49 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.38 -169.76 39.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.94 135.16 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.09 -122.71 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -46.7 -47.37 20.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -110.49 142.86 41.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.2 p30 -111.48 160.39 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 19.4 t80 -36.67 -56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -57.48 -35.45 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -70.29 -56.96 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.4 p -51.29 -44.43 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.19 -47.6 86.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.21 -26.76 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.7 -36.73 37.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.1 mtp -76.11 -31.86 58.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -75.34 -42.64 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 63.26 48.84 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -39.32 3.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 58.4 mtm180 -38.81 138.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -68.07 116.67 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.446 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 31.8 mt -86.21 141.62 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -132.02 136.57 47.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -86.0 106.43 17.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 73' ' ' LEU . 16.2 mm -88.03 115.15 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -98.83 108.08 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.6 mt -105.97 133.32 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -93.33 95.95 9.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -54.88 114.06 6.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -163.33 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -77.17 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLY . 40.4 p -113.42 -57.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -32.49 130.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -63.93 156.58 43.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 41' ' ' PHE . 1.6 mt -34.86 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 91.17 6.27 66.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 39' ' ' LEU . 3.0 p90 -138.92 131.84 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 m -93.55 176.02 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 6.3 m -142.37 152.43 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 6.6 m -119.34 149.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.02 126.72 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -137.78 107.58 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 48' ' ' SER . 5.2 tmm_? -51.05 128.73 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.464 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -89.42 151.37 22.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 50' ' ' ASN . 7.0 pt20 -76.25 -36.34 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 4.3 m120 -34.39 -61.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 53' ' ' LYS . 3.4 tt -175.23 159.22 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . -27.89 88.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.1 ptmm? -168.39 160.69 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 12.6 t -122.75 145.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.4 112.23 24.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 20.4 mm -86.3 123.11 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 90.4 m-85 -115.1 140.48 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 41' ' ' PHE . 87.8 t -73.33 110.69 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 9.2 mmmt -122.94 151.58 41.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 69.26 52.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.05 90.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.49 123.76 85.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.696 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.66 41.52 2.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 21.3 m -142.65 174.12 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.1 p -56.59 -47.7 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.77 -27.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -83.67 -58.45 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -24.67 47.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.32 172.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.45 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -146.67 131.86 18.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 29' ' ' ILE . 3.4 tt -162.04 123.89 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -113.81 156.53 23.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 17.7 tt0 -65.36 171.92 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 12.5 p30 47.64 40.29 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . 30.8 m-20 -93.63 106.57 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.563 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 tt0 -64.4 94.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.452 HG22 ' CG1' ' A' ' 82' ' ' ILE . 17.2 mt -64.87 106.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.94 -50.52 22.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.3 153.57 51.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' CG1' HG22 ' A' ' 79' ' ' ILE . 64.5 mt -132.07 119.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.8 m120 58.98 44.68 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 67.48 54.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.2 m -164.77 111.28 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.51 54.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 mt -97.23 44.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' ASN . 7.5 p-10 -72.41 -175.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -41.13 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' ASP . 92.2 m-20 -61.01 -56.0 26.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.34 136.87 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m -87.67 -175.46 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.466 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 3.7 p-80 -65.23 -40.5 94.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 9.5 mm-40 -56.85 -65.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -41.83 -44.92 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.66 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.05 -41.31 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -57.47 -61.21 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.9 mt -37.92 -44.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.427 ' CD2' HG21 ' A' ' 82' ' ' ILE . 16.5 mt -66.62 -46.55 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -71.39 -13.19 61.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -119.73 42.48 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -103.59 147.87 26.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 106' ' ' SER . 1.1 p -131.6 172.12 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.94 -89.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 t -120.42 152.97 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.7 tp -122.08 104.47 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -96.92 130.32 44.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.0 mt -133.37 122.47 23.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.446 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 87.8 mt -97.06 102.95 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.427 HG21 ' CG1' ' A' ' 29' ' ' ILE . 32.6 m -105.07 159.86 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.32 161.06 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -142.17 157.3 45.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -80.79 137.19 50.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 179.8 3.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -142.53 140.78 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -107.39 136.01 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.6 p -56.52 118.13 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -128.97 173.65 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 t -81.24 146.18 30.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.0 t -149.41 168.61 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.1 t -109.17 157.58 18.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -108.4 168.82 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.26 69.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 126' ' ' SER . 53.7 Cg_endo -69.85 -48.64 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 125' ' ' PRO . 54.0 p 34.76 41.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.3 t -142.67 146.68 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -148.55 141.06 24.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -160.22 126.03 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.63 111.08 3.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -131.97 161.34 33.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -67.84 137.97 55.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.36 167.93 0.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.64 159.11 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.57 -129.66 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.57 -44.05 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -105.65 164.32 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.1 p-10 -128.69 145.6 51.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.8 -32.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -76.08 -34.85 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ASP . 8.4 t -73.31 -53.58 10.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.0 -45.45 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.7 mm -65.25 -48.86 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -61.05 -18.95 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.18 -34.55 20.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.9 mtp -80.02 -33.11 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.64 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 53.52 38.53 28.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.22 -25.36 14.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -49.48 141.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 118.22 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -84.85 145.49 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -138.74 126.7 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -86.98 101.73 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CD1' ' O ' ' A' ' 72' ' ' ARG . 7.7 mm -89.95 106.74 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -89.98 102.84 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.7 mt -98.29 128.76 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ARG . 5.5 mt-10 -77.92 78.53 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH1' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -38.09 110.39 0.53 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.687 . . . . 0.0 110.877 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.94 24.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -44.35 -56.09 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -61.35 -22.04 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.088 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.56 -169.3 40.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . 86.58 57.49 2.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.475 HD12 ' CE2' ' A' ' 41' ' ' PHE . 1.4 mt -35.48 -31.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 89.42 4.23 74.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CE2' HD12 ' A' ' 39' ' ' LEU . 4.9 p90 -134.89 135.96 42.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -94.5 172.91 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.4 141.38 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m -110.75 133.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.46 126.73 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.073 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' A' ' 57' ' ' PHE . 14.3 mt -139.32 108.61 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 48' ' ' SER . 3.8 tmm_? -51.45 124.12 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.468 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -76.29 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -90.46 -35.97 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -39.04 -59.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -174.19 -176.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -46.15 89.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.5 ptmt -165.92 164.05 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 21.5 t -123.2 145.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -105.36 109.46 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mm -87.5 120.75 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 78' ' ' GLN . 82.1 m-85 -116.18 155.18 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.5 t -83.16 113.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 25.1 mmtt -131.25 144.65 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 75.03 49.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.2 94.64 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -62.48 133.52 94.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.08 37.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.5 60.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.471 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 1.3 p -162.03 162.82 28.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.5 m -38.52 -59.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -38.94 -37.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -83.85 -52.71 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 1.4 ptt85 -84.19 24.52 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 3.3 t70 -95.85 164.95 12.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 2.1 tp-100 -36.67 -56.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 10.0 ttt180 -174.74 120.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tt -155.37 119.53 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -109.83 161.03 15.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 9.6 tt0 -66.32 174.92 2.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 9.6 p30 45.81 44.19 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -106.67 106.19 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 1.7 tm0? -69.25 117.31 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.462 HG21 ' CG1' ' A' ' 82' ' ' ILE . 3.0 mt -80.58 106.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 mt -72.57 -43.02 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.83 153.81 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG1' HG21 ' A' ' 79' ' ' ILE . 62.4 mt -131.65 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.27 48.62 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.1 t60 64.62 51.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -160.98 114.36 1.31 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.36 50.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 87' ' ' LEU . 2.2 mt -98.75 41.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLN . 18.3 p-10 -76.31 -175.23 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 90' ' ' ASN . 6.3 pt20 -34.52 -42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 5.9 m-20 -49.41 -53.47 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -100.33 142.79 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -100.59 -175.17 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 2.9 p-80 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 46.5 mt-30 -55.5 -56.33 21.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -49.98 -49.65 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.34 -45.23 35.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 mt -62.49 -45.72 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.36 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.5 mt -39.12 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 98' ' ' ALA . 6.5 mt -85.28 -63.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.9 -11.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' THR . 17.1 mt-30 -101.77 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' GLN . 2.3 m -33.32 135.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -125.62 147.98 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.32 -89.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -109.06 135.81 49.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 tp -123.32 103.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.8 ttm105 -97.64 132.3 43.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.7 mt -133.03 131.19 40.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.3 mt -107.25 100.65 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.1 m -105.06 156.77 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.71 162.41 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -140.98 147.72 39.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.27 134.79 58.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 117' ' ' HIS . 53.4 Cg_endo -69.79 159.38 53.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 115' ' ' PRO . 10.0 p 30.1 38.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 115' ' ' PRO . 6.6 p-80 -59.34 141.34 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.1 p -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -75.73 89.04 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.0 m -111.27 171.13 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 t 49.09 47.07 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 44.9 p -116.77 110.77 18.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t 64.97 35.58 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -81.86 -73.25 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.75 68.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 t 72.75 38.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.4 m -52.22 155.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -172.6 158.42 4.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -161.51 145.37 12.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.41 -66.32 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -136.05 147.58 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t -89.17 92.1 9.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.0 155.73 17.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' CD2' ' H ' ' A' ' 13' ' ' PHE . 6.0 mp -68.83 114.86 7.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.53 -103.49 2.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -47.54 -54.67 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -108.52 148.39 30.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.9 p-10 -127.37 169.33 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' H ' ' CD2' ' A' ' 8' ' ' LEU . 9.6 t80 -40.61 -51.07 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -61.61 -33.02 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.4 t -74.37 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -45.72 -46.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.8 mm -61.87 -51.76 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -58.51 -32.67 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.79 -41.17 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.9 mtp -69.36 -37.53 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -34.97 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 58.99 42.1 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.54 -28.12 9.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -46.41 137.4 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.0 tt0 -62.14 114.14 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.3 mt -87.47 142.24 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -137.29 127.07 25.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -76.58 101.45 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -93.49 104.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.33 136.16 33.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.433 ' CD1' HD12 ' A' ' 109' ' ' LEU . 96.7 mt -132.2 131.17 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -88.89 97.63 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -46.97 124.07 8.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.17 25.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m -78.55 -52.72 8.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -109.8 -44.21 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.04 -163.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -131.7 170.15 21.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER -36.46 -39.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.09 65.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.3 p90 -141.93 132.03 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 m -90.58 165.77 13.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.9 m -136.05 147.2 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -116.79 134.5 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.39 115.71 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' C ' HG11 ' A' ' 54' ' ' VAL . 26.9 mt -135.72 116.02 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -44.59 121.76 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.22 163.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -94.93 38.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -115.61 -77.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.583 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.19 132.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 26.73 75.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.436 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -174.62 162.33 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG11 ' C ' ' A' ' 46' ' ' LEU . 42.7 t -124.97 155.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.523 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 18.4 m-20 -113.46 119.08 36.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.1 mm -89.96 111.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 79.6 m-85 -108.36 140.17 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 61' ' ' VAL . 97.1 t -77.96 110.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -114.29 155.06 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t0 58.25 49.85 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.455 HG22 ' CG1' ' A' ' 58' ' ' VAL . 85.1 t -70.34 91.76 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.6 118.81 28.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.9 27.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.27 38.23 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.457 ' CA ' ' HD3' ' A' ' 69' ' ' ARG . 82.4 p -137.04 146.21 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 70' ' ' ASP . 10.4 p -35.12 -39.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -33.74 -54.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t70 -114.11 -58.88 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HD3' ' CA ' ' A' ' 65' ' ' SER . 14.9 ptt85 -35.25 -43.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.459 ' HB2' ' CG2' ' A' ' 66' ' ' VAL . 34.8 t70 -52.4 -61.77 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -128.8 -73.82 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 ttp85 -174.98 150.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 tt -176.71 136.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -113.03 162.63 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -80.74 160.43 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 60.04 32.48 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -92.06 106.39 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.565 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 3.5 tt0 -70.59 111.45 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.477 HG22 ' CG1' ' A' ' 82' ' ' ILE . 63.2 mt -74.63 108.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.88 -47.84 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.17 153.47 51.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.477 ' CG1' HG22 ' A' ' 79' ' ' ILE . 36.6 mt -132.11 123.81 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 82' ' ' ILE . 21.0 p30 47.13 47.55 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 67.6 54.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 20.8 m -163.33 105.23 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.155 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.6 Cg_endo -69.77 142.29 47.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.8 mt -94.95 43.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.82 177.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -43.3 -26.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.08 -48.23 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -95.76 130.29 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m -88.03 -175.1 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.5 p-80 -63.73 -42.57 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.45 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.5 mt-30 -54.49 -64.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -42.59 -48.44 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.63 -52.39 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 101' ' ' GLN . 18.6 mt -56.68 -46.63 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.86 65.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.6 mt -47.01 -45.17 20.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.57 -49.72 24.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.41 ' NE2' HG21 ' A' ' 97' ' ' ILE . 22.1 mt-30 -64.21 -13.91 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 103' ' ' THR . 30.6 mt-30 -105.42 -68.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.5 m -34.85 118.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.47 175.74 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 44.16 -159.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' GLY . 76.5 p -33.91 133.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -133.44 103.11 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -82.31 126.1 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.433 HD12 ' CD1' ' A' ' 31' ' ' ILE . 72.1 mt -125.67 114.89 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 90.9 mt -92.47 99.97 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.3 m -105.29 158.26 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.42 156.35 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' GLN . 21.7 ttm-85 -126.92 155.49 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.96 133.39 20.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.63 3.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.5 p -92.73 124.79 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -135.7 179.49 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' LYS . 42.5 p -118.56 40.25 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 118' ' ' THR . 36.6 tttp -34.6 -53.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.0 t -149.92 160.31 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.7 p -118.47 176.65 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.5 p 41.26 40.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -78.55 80.28 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 125' ' ' PRO . . . -95.2 105.38 3.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.465 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 124' ' ' GLY . 53.7 Cg_endo -69.79 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.335 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.7 p -95.89 162.48 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -69.45 -49.8 51.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -165.71 122.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -61.19 -47.15 87.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 122.61 3.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -125.71 143.5 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -83.9 -67.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.86 -154.29 10.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 8' ' ' LEU . 4.4 mm? -80.95 -71.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.31 -145.4 17.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -40.12 -70.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' CD ' ' HB ' ' A' ' 16' ' ' VAL . 21.4 tt0 -97.46 132.86 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.4 149.91 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -47.75 -43.17 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -67.43 -23.83 65.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 -54.44 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 ' HB ' ' CD ' ' A' ' 11' ' ' GLU . 2.3 p -48.82 -44.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 80' ' ' LEU . 29.1 mm -64.6 -43.31 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -65.41 -26.93 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.2 -36.35 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.0 mtp -75.23 -34.11 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.61 69.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 55.99 46.18 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 -26.95 6.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -48.6 142.6 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.58 115.86 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -85.27 141.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' NE ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -133.43 144.74 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -96.61 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.2 mm -91.59 101.14 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -87.9 103.54 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 32' ' ' GLU . 80.5 mt -96.93 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' HG22 ' A' ' 31' ' ' ILE . 9.7 tt0 -105.36 97.21 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -46.88 121.98 7.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -167.74 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.7 m -121.85 -30.97 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -95.92 -69.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.1 -119.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.78 23.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.41 -27.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.9 10.92 68.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.7 p90 -142.97 135.71 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -99.82 176.09 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.67 154.13 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 4.3 m -120.8 142.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.31 122.3 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD13 ' CE2' ' A' ' 57' ' ' PHE . 23.5 mt -135.05 110.21 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -56.65 119.96 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.1 t -75.39 132.38 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -39.04 -28.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' SER . 25.3 t30 -61.6 -175.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -53.26 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.44 ' N ' HD21 ' A' ' 51' ' ' LEU . . . -48.06 90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.5 ptmt -159.54 145.4 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.5 t -117.69 149.06 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 7.1 m-20 -108.44 121.8 45.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.457 HG13 ' CB ' ' A' ' 96' ' ' ALA . 25.3 mm -95.2 115.81 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.441 ' CE2' HD13 ' A' ' 46' ' ' LEU . 82.6 m-85 -112.23 157.38 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG13 ' CG2' ' A' ' 61' ' ' VAL . 76.1 t -88.89 119.2 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 18.3 mmmt -128.34 167.91 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.06 49.53 20.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' HG13 ' A' ' 58' ' ' VAL . 93.2 t -74.06 94.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.21 124.74 67.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.03 4.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.0 56.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 m -164.23 166.63 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 67' ' ' ALA . 1.7 m -34.01 -52.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -29.36 -44.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.076 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 66' ' ' VAL . 1.4 p-10 -106.99 -69.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -38.43 -32.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 13.6 t0 -74.55 -174.24 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.9 tp-100 -33.19 -72.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -176.56 151.41 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD21 ' C ' ' A' ' 73' ' ' LEU . 2.1 tt -174.84 115.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -103.29 164.76 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.46 164.88 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 62.06 26.86 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.19 100.92 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.473 ' OE1' ' CD2' ' A' ' 80' ' ' LEU . 3.0 tm0? -67.63 105.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.15 108.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' ' OE1' ' A' ' 78' ' ' GLN . 20.5 mt -74.25 -43.86 55.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.87 153.36 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -130.17 108.82 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.465 ' ND2' ' H ' ' A' ' 108' ' ' ARG . 10.0 m120 58.99 53.46 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.415 ' HB2' ' NH2' ' A' ' 108' ' ' ARG . 8.2 t-80 64.42 52.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.7 m -162.63 105.41 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.73 48.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -98.28 49.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.5 p30 -81.97 -174.99 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -39.09 -29.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 88' ' ' ASP . 54.3 m-20 -58.38 -57.39 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 92' ' ' SER . 3.0 mt -99.87 138.32 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.423 ' N ' HG21 ' A' ' 91' ' ' ILE . 18.2 m -88.8 -174.55 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.617 ' CE1' ' CD ' ' A' ' 94' ' ' GLN . 3.5 p-80 -63.67 -47.39 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.617 ' CD ' ' CE1' ' A' ' 93' ' ' HIS . 28.3 mp0 -49.13 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -39.61 -51.18 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.457 ' CB ' HG13 ' A' ' 56' ' ' ILE . . . -47.05 -46.64 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -63.89 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -56.1 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 mt -39.03 -36.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.44 ' CD2' HD21 ' A' ' 109' ' ' LEU . 10.8 mt -76.66 -63.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.87 -14.94 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.49 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 m -42.56 112.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -91.87 151.96 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 69.28 -162.02 51.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 105' ' ' GLY . 11.1 m -34.47 118.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.1 tp -115.81 104.48 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.465 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 46.7 ttp180 -82.12 141.85 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 100' ' ' LEU . 64.1 mt -142.73 110.89 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -88.03 100.52 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.1 158.85 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.52 155.27 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.452 ' NE ' ' OE2' ' A' ' 27' ' ' GLU . 14.9 mtt180 -135.4 145.71 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.89 135.49 35.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -179.25 2.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 8.0 p -106.76 143.94 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -101.85 -67.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.9 t -110.75 144.93 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -99.69 159.29 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.5 t -147.26 160.56 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.8 m -109.35 124.39 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 t -105.89 155.12 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.3 t -105.96 133.56 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 141.35 143.89 4.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.96 55.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.6 m -152.64 115.31 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.0 t -143.89 128.98 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -144.16 163.08 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -90.53 42.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.77 110.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -78.36 161.47 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -151.9 119.98 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.95 123.96 3.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -53.28 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.92 -124.58 1.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -51.21 -59.32 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -101.94 138.09 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.7 OUTLIER -92.01 153.6 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.438 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.3 t80 -37.83 -39.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.82 -40.97 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.2 t -65.0 -52.55 55.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.5 p -49.79 -47.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.72 -49.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -59.68 -36.71 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -69.41 -34.97 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.5 mtp -77.9 -30.68 50.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.28 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.41 43.49 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.89 -25.01 7.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -47.19 140.46 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.63 111.55 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 28.6 mt -83.78 145.09 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -136.38 131.6 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -89.62 105.96 18.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mm -93.05 101.4 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -84.23 103.46 13.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' CD1' HD12 ' A' ' 109' ' ' LEU . 79.4 mt -99.27 136.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 31' ' ' ILE . 13.1 mt-10 -110.74 101.99 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 5.1 mmm180 -49.18 121.14 10.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.39 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.72 -175.33 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -57.19 -13.43 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.95 -91.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.0 -135.84 1.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 41' ' ' PHE . 2.3 mt -124.18 -20.6 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.66 5.09 90.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 39' ' ' LEU . 5.1 p90 -133.27 130.93 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -94.3 176.01 6.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -144.96 165.39 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 4.5 m -130.86 145.6 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.53 121.38 41.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 57' ' ' PHE . 8.7 mt -139.05 110.53 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -53.72 136.39 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 t -90.68 129.91 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -48.34 -34.04 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -39.06 -71.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -170.15 -174.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -42.43 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' LEU . 18.5 ptmt -172.45 162.38 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 13.2 t -130.96 138.34 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-20 -99.97 114.85 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.4 mm -86.55 105.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 86.3 m-85 -97.84 140.66 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG13 ' CG2' ' A' ' 61' ' ' VAL . 56.1 t -77.03 106.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -113.2 153.35 28.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.42 54.28 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 ' CG2' HG13 ' A' ' 58' ' ' VAL . 84.8 t -75.64 102.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.52 122.9 63.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.56 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.32 40.98 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 m -127.37 169.37 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.8 p -53.95 -44.04 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.6 -24.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 66' ' ' VAL . 5.7 t70 -106.19 -69.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -40.9 -33.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -66.75 -55.29 15.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 2.9 tp60 -163.06 162.87 26.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.52 122.01 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tt -145.25 116.3 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -99.15 165.4 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.05 167.55 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 54.69 30.46 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -86.54 101.12 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.57 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.0 tt0 -63.41 109.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.4 mt -75.29 110.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.23 -45.83 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.47 149.96 47.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.1 mt -131.94 116.99 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 m120 61.26 45.14 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 66.46 54.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m -166.16 112.37 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.21 45.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' GLN . 24.6 t0 -67.73 173.82 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 88' ' ' ASP . 8.5 pt20 -34.26 -42.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -46.65 -59.31 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -90.02 133.49 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 m -90.31 -176.57 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.47 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.3 p-80 -63.91 -40.07 95.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.47 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 47.0 mt-30 -59.46 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -45.74 -45.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.17 61.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.1 -45.05 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 102' ' ' GLN . . . -52.12 -50.51 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -48.98 -36.61 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.9 mt -72.65 -59.08 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -65.42 -14.35 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 98' ' ' ALA . 29.5 mt-30 -114.76 47.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -154.73 108.81 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.15 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.56 -77.77 2.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.3 p -126.13 142.48 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 tp -139.01 106.5 5.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -100.54 133.01 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 31' ' ' ILE . 30.8 mt -133.69 124.46 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.48 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 33.1 mt -100.42 100.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.1 m -105.02 158.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.33 165.98 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -137.07 153.14 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -104.42 127.29 29.36 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 176.74 6.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.7 t -140.07 151.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -121.99 162.57 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 m -39.51 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -158.13 178.57 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.7 p -123.17 -177.19 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.8 p -166.12 172.1 11.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -149.52 169.99 19.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.8 m -141.02 179.75 6.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.76 -95.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.82 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.7 p -58.0 -46.21 85.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 60.6 p -165.74 143.14 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -46.75 153.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -128.17 120.18 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 72.3 1.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -49.8 132.2 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 -177.26 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 39.29 68.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' GLY . 5.2 mp -42.88 167.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . -94.83 -131.9 6.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' GLY . 5.8 m120 -34.51 -69.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -95.15 120.13 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.9 p30 -100.33 157.5 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.7 t80 -37.12 -59.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -55.68 -31.53 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.5 t -73.4 -54.7 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.6 p -54.89 -44.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -64.72 -51.04 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -59.81 -32.43 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -74.04 -40.19 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.5 mtp -69.96 -36.24 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 -34.4 72.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 60.74 47.96 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.12 -28.49 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -45.54 132.98 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -62.74 115.01 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 43.5 mt -86.55 141.9 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.87 122.65 23.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.33 102.56 3.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.417 ' CD1' ' O ' ' A' ' 72' ' ' ARG . 21.7 mm -90.05 101.78 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 116.29 27.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' CD1' HD13 ' A' ' 109' ' ' LEU . 97.6 mt -115.13 127.53 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -89.3 99.98 12.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 7.5 mmm180 -57.26 122.24 53.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.11 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLY . 98.2 p -83.36 114.07 21.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p 40.15 25.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -91.96 -111.68 1.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.27 175.95 44.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 1.7 mt -82.99 -21.79 33.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.61 11.64 72.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.5 p90 -140.99 143.01 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -100.86 175.12 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.26 150.31 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.7 m -120.65 135.53 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 120.01 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.9 mt -133.96 118.76 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.6 tmm_? -61.03 120.27 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.41 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 2.0 t -77.24 136.62 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -39.5 -35.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.85 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -51.62 -179.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -46.76 89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' LEU . 7.3 ptpt -155.82 153.22 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.9 t -120.94 155.32 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 69.5 m-20 -119.59 113.84 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.5 mm -86.28 126.74 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 32.8 m-85 -119.23 147.9 43.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.0 t -82.35 108.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -119.49 166.03 13.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 51.09 54.48 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.54 82.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -47.05 118.86 5.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HA ' ' CG ' ' A' ' 68' ' ' ASP . 53.5 Cg_endo -69.81 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 45.71 1.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -147.92 172.34 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 67' ' ' ALA . 14.8 p -48.06 -51.14 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 70' ' ' ASP . . . -41.84 -58.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' CG ' ' HA ' ' A' ' 63' ' ' PRO . 30.6 t0 -56.39 -70.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.58 -18.59 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 16.5 t70 -46.64 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.19 -62.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.417 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 8.4 tpp180 -151.76 125.75 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD1' HG22 ' A' ' 29' ' ' ILE . 2.5 tt -169.81 116.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -112.73 163.78 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 58.5 tt0 -69.2 159.72 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 75.2 m-80 63.2 34.6 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -94.8 99.97 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.57 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -63.51 109.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mt -74.14 106.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.68 -47.34 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . . . -137.18 152.82 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.419 HG21 ' CD2' ' A' ' 109' ' ' LEU . 87.7 mt -132.4 112.97 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.3 45.35 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 69.14 42.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.2 m -151.95 105.0 2.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.18 44.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 96' ' ' ALA . 21.6 mt -92.2 38.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -58.68 179.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 90' ' ' ASN . 6.0 pt20 -44.16 -29.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 8.9 m120 -55.68 -57.34 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 92' ' ' SER . 2.9 mt -91.2 143.88 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.451 ' N ' HG21 ' A' ' 91' ' ' ILE . 3.6 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -59.38 -39.44 83.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -60.81 -62.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -44.8 -41.88 7.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -54.58 -49.8 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.96 -45.01 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -48.65 -61.36 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.4 mt -35.52 -41.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.53 -47.43 63.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ALA . 32.0 mt-30 -69.18 -19.69 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -113.62 50.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.1 m -158.93 110.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.18 160.88 20.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.75 -61.42 3.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.0 m -143.79 137.44 28.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.9 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 tp -132.9 101.47 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 104.87 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 31' ' ' ILE . 47.6 mt -107.21 119.15 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 79.5 mt -96.81 104.45 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 m -104.85 166.98 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.76 167.6 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -144.81 153.52 41.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.13 134.54 49.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 175.78 7.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.384 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -141.71 123.89 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -111.93 -54.53 2.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.1 p -51.87 156.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -82.36 -52.47 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 82.2 p -67.03 135.9 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.4 p -130.77 162.11 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 91.8 m -105.24 99.34 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.5 p -95.46 170.25 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -136.74 146.2 18.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.21 46.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.6 p -117.08 170.78 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' GLY . 1.2 t -96.77 161.63 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -153.83 111.13 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -69.49 87.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.14 132.98 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -162.54 174.63 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -146.37 110.89 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.07 -96.77 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.46 -72.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.75 -143.9 18.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -41.64 -64.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.27 140.45 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 -108.31 164.92 11.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 4.8 t80 -43.14 -38.72 2.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.7 t -72.81 -51.31 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.3 p -50.23 -44.13 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG21 ' CD1' ' A' ' 26' ' ' ILE . 34.5 mm -60.58 -53.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -55.49 -37.52 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.92 -34.15 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.0 mtp -81.89 -29.94 32.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -73.2 -34.47 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 62.84 42.41 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.27 -24.59 8.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 55.9 mtm180 -47.97 147.28 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -70.97 114.62 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 27' ' ' GLU . 53.1 mt -85.22 142.8 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 26' ' ' ILE . 19.6 mm-40 -137.09 130.77 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 104.59 14.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mm -88.08 116.45 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -99.03 116.06 30.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.6 mt -119.35 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.88 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 103' ' ' THR . 3.9 mmm180 -62.16 119.63 50.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 173.07 11.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 t -38.84 -44.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.3 p -117.45 -170.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.21 89.85 1.59 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -139.59 43.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLY . 1.0 OUTLIER -37.7 -38.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.46 11.86 63.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 2.5 p90 -148.22 128.82 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -89.01 175.14 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.11 146.74 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.0 m -114.68 146.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.16 126.92 50.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 57' ' ' PHE . 8.9 mt -140.52 108.02 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -50.84 122.61 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 3.8 t -76.06 144.37 40.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 40.5 mt-30 -67.77 -38.15 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 71.9 m-20 -34.46 -69.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -168.72 -178.57 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -40.2 91.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' LEU . 14.9 ptmt -173.31 164.15 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 24.7 t -122.3 149.33 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.525 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.5 m-20 -108.78 110.59 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 93' ' ' HIS . 10.6 mm -89.21 123.38 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 80.3 m-85 -119.66 160.19 22.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.1 t -90.75 115.76 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmtt -126.62 153.02 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.86 48.44 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.7 t -70.02 100.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.94 112.62 9.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.04 15.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.36 39.13 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.2 m -138.63 172.73 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.09 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.43 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -80.19 -55.59 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.93 -28.74 24.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -51.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -47.04 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -174.02 126.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tt -141.84 115.77 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.33 155.77 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.76 158.24 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 63.01 31.0 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.64 107.19 19.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.536 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 6.0 tt0 -70.56 113.37 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.465 HG21 ' CG1' ' A' ' 82' ' ' ILE . 52.7 mt -74.66 108.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.41 -50.87 14.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.38 150.88 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CG1' HG21 ' A' ' 79' ' ' ILE . 68.4 mt -130.04 114.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.414 ' ND2' HD12 ' A' ' 107' ' ' LEU . 1.4 m-80 62.64 46.38 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 13' ' ' PHE . 3.2 t-160 66.1 48.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.6 m -157.54 111.39 1.84 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 143.66 51.45 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.83 29.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -54.21 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -42.43 -45.14 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -44.67 -58.38 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.1 mt -91.89 135.77 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -97.51 -174.59 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.544 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.0 p-80 -60.39 -47.18 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.544 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 50.9 mt-30 -50.69 -67.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -40.06 -50.58 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.86 -47.97 42.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 mt -58.72 -48.3 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.29 -56.2 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -42.14 -35.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 20.1 mt -78.6 -60.42 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -58.59 -12.61 4.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' THR . 33.6 mt-30 -102.92 -64.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.456 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 m -34.52 136.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -127.84 173.59 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.96 -93.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.3 p -101.94 131.7 48.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.94 0.4 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.43 HD11 ' CG2' ' A' ' 103' ' ' THR . 40.9 tp -124.93 108.06 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -97.82 126.48 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' A' ' 82' ' ' ILE . 38.6 mt -129.69 124.26 33.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 75.9 mt -98.03 100.33 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.5 m -105.52 157.88 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.62 151.6 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 4.4 ptp180 -142.18 148.95 39.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -45.56 134.93 6.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.34 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.96 144.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -159.48 162.03 35.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -82.16 144.3 30.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -149.43 130.2 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -125.4 105.24 8.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -124.34 131.5 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.3 m -75.91 125.7 29.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.3 p -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -105.83 150.95 17.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.08 3.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.6 p -131.12 126.56 36.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.5 m -84.48 149.07 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 53.54 42.84 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -117.74 153.07 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 -176.15 16.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -137.96 144.76 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -75.26 159.62 31.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 147.87 23.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.39 167.58 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . -141.22 -127.83 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' GLY . 13.5 m-20 -37.77 -42.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.04 159.27 25.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.6 m-20 -125.56 166.72 16.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.98 -48.34 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.91 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.5 t -75.34 -54.97 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 p -48.87 -43.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -65.91 -48.05 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -61.97 -24.34 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.23 -34.04 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.6 mtp -82.1 -26.32 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.95 -34.27 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 56.37 48.41 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.3 -36.4 3.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -39.6 135.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -61.5 119.15 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.0 mt -86.97 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -131.67 156.62 45.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -111.9 108.02 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.0 mm -96.58 105.54 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.86 101.76 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.6 mt -96.16 135.36 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.62 107.93 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -63.57 121.77 72.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -173.4 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -91.5 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.7 p -107.05 20.09 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.41 -128.9 5.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.08 -178.36 44.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -55.43 -30.4 60.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.77 1.35 83.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.437 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -134.01 137.61 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -98.89 175.41 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.77 -179.78 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -146.79 148.62 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' CB ' ' CG ' ' A' ' 93' ' ' HIS . . . -104.15 126.98 51.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' C ' HG12 ' A' ' 54' ' ' VAL . 55.3 mt -143.67 109.6 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -46.11 116.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -62.23 168.52 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.23 13.85 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.2 -76.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.596 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.18 132.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 23.27 67.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 10.4 ptmt -162.85 149.74 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 46' ' ' LEU . 21.8 t -114.81 152.67 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 68.6 m-20 -110.15 124.9 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.403 HG13 ' CB ' ' A' ' 96' ' ' ALA . 22.7 mm -97.93 111.86 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 53.7 m-85 -107.78 148.3 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.21 118.87 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 11.7 mmmt -125.62 148.73 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.76 53.9 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.95 101.73 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -57.32 113.98 7.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 54.1 Cg_endo -69.72 0.6 5.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.63 -41.84 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -50.16 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.412 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 5.7 p -57.54 -39.42 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.28 -41.53 38.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 2.0 t70 -73.01 -73.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 66' ' ' VAL . 10.2 ptt180 -42.22 -26.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 71' ' ' GLN . 15.5 t70 -55.29 168.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.434 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 30.1 tt0 -34.75 -70.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -174.72 132.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 73' ' ' LEU . 2.4 tt -152.82 120.36 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -99.42 165.68 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.59 173.33 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.8 m120 49.25 29.46 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' A' ' 113' ' ' ARG . 8.6 m-20 -86.61 109.38 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.85 106.25 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 HG23 ' CG1' ' A' ' 82' ' ' ILE . 27.9 mt -70.86 110.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.42 -46.82 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -140.73 153.78 46.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CG1' HG23 ' A' ' 79' ' ' ILE . 95.6 mt -129.72 107.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 62.99 54.68 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 60.56 48.85 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.7 m -159.12 105.0 1.55 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.3 47.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.5 mt -94.82 31.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ASN . 11.2 p30 -55.51 176.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' ASP . 16.5 pt20 -35.07 -34.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . 73.8 m-20 -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mt -94.97 131.32 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m -84.01 -175.22 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.461 ' CG ' ' CB ' ' A' ' 45' ' ' ALA . 3.6 p-80 -64.51 -41.65 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.44 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.8 mt-30 -54.58 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -42.31 -44.69 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.403 ' CB ' HG13 ' A' ' 56' ' ' ILE . . . -50.7 -43.56 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.7 mt -66.27 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -60.35 -57.3 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.7 mt -37.46 -31.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ALA . 13.6 mt -83.81 -62.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.36 -15.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' THR . 13.9 mt-30 -99.74 -68.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.2 m -37.89 127.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.0 -176.83 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 39.82 -161.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 105' ' ' GLY . 2.8 m -31.93 139.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.851 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 51.0 tp -134.98 104.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 108' ' ' ARG . 2.3 tmm_? -87.98 135.01 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.0 mt -134.12 120.34 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.5 mt -92.19 100.24 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.02 160.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.8 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' NH1' ' OD2' ' A' ' 77' ' ' ASP . 15.0 mmt180 -134.0 164.83 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 31.3 tt0 -99.34 139.19 20.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' HIS . 54.1 Cg_endo -69.73 159.79 52.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.484 ' C ' ' O ' ' A' ' 115' ' ' PRO . 10.0 p 30.22 38.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -56.6 152.76 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -134.65 168.11 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -147.21 159.14 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -149.19 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 t 43.54 49.48 6.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 119' ' ' LYS . 61.7 p -92.44 40.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.165 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -81.81 99.22 8.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -109.28 146.36 16.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.69 46.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.5 t -129.33 93.43 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -112.61 133.95 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m 60.46 43.46 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -97.22 112.35 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.0 141.86 10.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -159.34 177.34 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 p -132.47 172.27 12.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.85 130.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.95 -58.78 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.65 -147.66 16.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -50.33 -49.44 53.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -101.64 148.64 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.31 160.38 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.2 t80 -47.19 -38.31 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -71.8 -34.09 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -72.68 -45.74 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.9 p -56.93 -45.37 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.6 mm -62.1 -50.55 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -58.78 -37.35 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.51 -37.36 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.5 mtp -73.82 -30.01 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.01 -33.2 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 61.19 38.82 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 -29.06 10.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.96 139.82 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -63.57 114.78 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.423 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 20.9 mt -86.91 140.16 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.39 126.4 33.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 110' ' ' ILE . 19.5 m-85 -82.34 101.65 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mm -89.76 101.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.18 104.91 17.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.449 ' CD1' HD13 ' A' ' 109' ' ' LEU . 37.8 mt -93.25 136.02 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' N ' HG23 ' A' ' 31' ' ' ILE . 4.8 tt0 -103.22 86.26 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 103' ' ' THR . 3.2 ttp180 -49.64 125.95 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -174.61 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m -81.69 -50.93 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.3 t -48.71 -29.98 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.0 132.97 7.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' C ' HD21 ' A' ' 39' ' ' LEU . . . 132.94 164.33 10.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' CD2' ' HD2' ' A' ' 33' ' ' ARG . 1.3 mt -119.35 -31.68 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.94 12.68 80.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -108.11 173.11 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.453 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.2 m -141.18 149.26 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.0 m -118.35 144.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.38 120.26 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 57' ' ' PHE . 11.6 mt -133.74 109.41 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 1.9 tmm_? -56.25 128.05 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.489 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.9 t -79.71 176.1 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 43.7 tt0 -94.31 -39.86 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 26.3 m-20 -34.15 -64.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -173.21 -176.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.468 ' N ' HD21 ' A' ' 51' ' ' LEU . . . -43.12 89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.5 ptmt -168.11 155.25 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 15.2 t -120.94 148.95 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.458 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -111.36 112.62 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 26.1 mm -87.41 119.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 46' ' ' LEU . 69.3 m-85 -114.58 143.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.56 112.18 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 19.1 mmmt -121.29 152.24 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.21 54.41 3.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.1 t -80.04 103.34 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.49 128.55 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -11.87 31.82 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.8 68.69 0.54 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -158.08 150.51 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.2 p -34.27 -33.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' SER . . . -47.04 -50.11 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 11.8 p-10 -107.58 -60.93 1.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 65' ' ' SER . 8.7 ptm180 -37.0 -44.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.4 t70 -76.79 -70.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 17.8 tp60 -114.91 150.73 35.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -65.74 121.64 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tt -146.93 127.43 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -106.82 164.21 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -77.1 163.07 26.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 m120 58.01 40.38 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 111' ' ' VAL . 7.2 m-20 -99.35 102.38 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 5.4 tt0 -64.26 99.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' CG1' ' A' ' 82' ' ' ILE . 59.7 mt -65.95 110.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.83 -49.26 14.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -134.97 151.24 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG1' HG23 ' A' ' 79' ' ' ILE . 67.9 mt -130.62 116.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 65.54 54.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 56.11 45.87 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.1 m -156.12 115.58 2.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.02 52.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -94.08 30.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' GLN . 10.6 p-10 -53.32 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -36.61 -39.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -47.87 -53.68 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.9 mt -97.49 132.05 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -90.21 -175.13 4.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.572 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.5 p-80 -64.75 -40.64 95.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.572 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 37.1 mt-30 -57.14 -61.57 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -44.32 -49.37 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.46 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.5 mt -53.88 -40.43 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.98 -65.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' ALA . 45.7 mt -35.46 -42.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 26.9 mt -64.1 -46.78 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 37.6 mt-30 -73.72 -21.25 60.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -117.65 64.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.49 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 1.9 m -152.25 105.0 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.83 173.13 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.59 -48.38 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -175.15 142.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.898 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 35.6 tp -116.54 102.73 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -89.72 133.26 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 31' ' ' ILE . 37.9 mt -140.09 120.9 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 28' ' ' TYR . 53.5 mt -101.21 107.7 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.413 ' CB ' ' HB3' ' A' ' 77' ' ' ASP . 24.2 m -108.43 159.89 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.1 163.58 12.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -141.31 153.23 45.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -94.71 134.78 24.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.56 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.47 131.03 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -110.22 -38.66 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -133.36 128.06 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 120' ' ' SER . 22.7 ttpp -79.55 164.64 23.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' CG ' ' A' ' 119' ' ' LYS . 5.6 t -144.7 157.47 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -150.77 132.42 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.1 t -136.41 160.12 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.4 t -54.17 104.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -132.1 81.98 0.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 160.13 50.87 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.5 t -80.38 138.86 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.8 m -115.18 168.82 9.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -56.09 155.08 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -90.25 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.17 -169.29 21.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -150.3 157.76 43.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -89.06 129.3 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.65 -177.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.52 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.23 -142.15 16.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -57.02 -65.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 15' ' ' SER . 3.9 tp10 -88.47 134.46 33.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -96.0 150.99 19.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.3 t80 -39.57 -61.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.0 m-80 -51.71 -32.15 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.43 ' HB3' ' CD ' ' A' ' 11' ' ' GLU . 5.3 t -72.45 -54.47 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.4 p -57.07 -42.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.5 -46.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -63.81 -25.82 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -80.76 -37.68 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.3 mtp -73.09 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.16 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 63.15 42.85 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -34.75 4.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -42.28 135.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.683 0.278 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.56 114.27 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.31 141.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -135.28 114.13 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -72.19 101.65 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 mm -90.78 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -89.02 100.51 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 107' ' ' LEU . 87.1 mt -93.07 133.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 31' ' ' ILE . 2.4 tp10 -92.08 101.45 13.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 37' ' ' GLY . 8.8 mmm180 -61.47 122.76 72.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 177.89 5.14 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -72.9 -57.05 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p -124.49 24.73 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 33' ' ' ARG . . . -108.68 174.43 18.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -116.36 152.43 17.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 87.66 14.13 63.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 11.8 p90 -144.67 161.93 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.7 176.05 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 15.7 m -148.5 127.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.4 m -109.28 132.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.43 135.19 33.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 57' ' ' PHE . 16.8 mt -152.34 107.51 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' LEU . 2.3 tmm_? -34.73 128.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.4 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.2 t -76.28 146.18 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -82.59 19.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.76 -73.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.659 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -172.95 143.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.93 78.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' A' ' 48' ' ' SER . 8.3 ptmm? -176.34 162.18 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 39.8 t -118.64 154.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -115.14 116.28 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 29.8 mm -86.64 132.38 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 84.1 m-85 -124.35 132.24 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.7 t -70.21 115.27 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 13.2 mmmt -115.84 168.72 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 41.85 54.85 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.4 t -73.86 91.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -42.78 127.95 3.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.55 69.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.02 42.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' CG1' ' H ' ' A' ' 67' ' ' ALA . 5.7 p -41.29 -54.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' H ' ' CG1' ' A' ' 66' ' ' VAL . . . -37.67 -35.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -109.11 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 70' ' ' ASP . 9.5 ptm180 -35.72 -51.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.505 ' N ' ' CG ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -77.43 -75.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' ASP . 3.9 tp-100 -95.52 160.03 14.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.55 109.46 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 tt -134.36 131.37 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -107.9 168.17 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -81.68 160.3 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 62.95 27.41 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -88.06 102.84 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -66.26 110.35 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.448 HG22 ' CG1' ' A' ' 82' ' ' ILE . 39.2 mt -74.95 114.49 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 75.8 mt -83.67 -47.81 10.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.6 145.91 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 HG21 ' CD2' ' A' ' 109' ' ' LEU . 73.9 mt -126.84 117.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.9 m120 62.52 51.01 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 59.86 46.75 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 m -155.41 116.29 2.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.03 46.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.2 mt -93.73 33.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -58.25 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.42 -25.9 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -60.32 -57.52 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -99.08 135.4 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.46 -174.94 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.5 p-80 -62.19 -45.26 94.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.506 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 68.5 mt-30 -53.79 -61.06 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.01 -42.6 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.16 67.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.7 mt -63.06 -46.22 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -52.45 -59.45 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.6 mt -38.26 -34.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 109' ' ' LEU . 23.6 mt -79.65 -64.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.24 -14.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -100.6 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 104' ' ' THR . 17.7 m -40.29 133.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 103' ' ' THR . 1.1 p -130.87 174.99 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.21 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -130.79 148.84 52.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' ILE . 29.6 tp -134.58 132.19 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -125.35 99.25 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 82' ' ' ILE . 42.5 mt -105.13 126.96 52.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 63.4 mt -105.27 103.06 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.3 m -105.0 155.96 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.97 166.34 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -142.96 139.75 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 10.8 tt0 -89.03 141.93 29.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 114' ' ' GLU . 54.1 Cg_endo -69.75 -179.84 3.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.4 p -94.65 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -130.65 -67.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.4 m -126.19 122.1 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.63 109.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.3 t -113.88 102.52 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.1 p -92.07 126.97 37.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.2 p -111.16 132.44 54.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.174 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.8 t -100.5 153.17 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -176.66 123.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.17 10.83 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m -74.51 -62.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.2 t -82.14 148.46 28.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -114.77 118.94 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -48.56 -44.68 36.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.44 79.95 1.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -134.61 158.39 44.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -171.42 127.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.47 -177.74 41.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -145.41 162.19 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.02 -104.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.59 -41.56 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -129.78 117.72 20.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.39 -174.47 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.09 -40.32 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -72.38 -23.91 61.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -84.24 -45.11 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -60.58 -48.33 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.09 -46.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -59.69 -28.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -76.49 -44.92 33.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.3 mtp -65.46 -38.59 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.12 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 62.19 43.68 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 96.47 -39.81 2.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 58.8 mtm180 -37.9 137.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.299 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.09 116.97 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 27' ' ' GLU . 39.9 mt -88.86 142.32 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 26' ' ' ILE . 5.2 mm-40 -134.45 168.33 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -116.75 118.79 33.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 HG21 ' CD1' ' A' ' 73' ' ' LEU . 16.8 mm -110.32 101.08 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.35 101.7 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -94.94 129.59 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -86.68 96.52 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.446 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 3.2 mmm180 -54.85 117.29 13.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.4 5.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' GLY . 38.8 m -86.63 134.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 p 39.75 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -113.92 -154.77 11.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.523 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.33 -154.85 8.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 1.5 mt -104.39 -30.36 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.19 14.69 71.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.5 p90 -144.8 126.97 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -85.45 172.21 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 35.4 m -147.05 148.62 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB2' ' CG ' ' A' ' 93' ' ' HIS . . . -104.72 124.1 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.419 ' C ' HG13 ' A' ' 54' ' ' VAL . 7.2 mt -142.8 109.15 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -55.59 115.46 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -67.99 146.52 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -79.19 44.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -110.4 -75.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.6 OUTLIER -174.22 109.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 34.33 68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -160.28 154.95 24.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CB ' ' HB3' ' A' ' 93' ' ' HIS . 42.0 t -128.9 144.43 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -104.99 117.25 33.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.446 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 40.0 mm -86.38 110.31 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -98.0 140.24 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 73' ' ' LEU . 94.6 t -82.09 104.43 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -115.87 150.09 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 69.44 46.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.7 t -71.67 94.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -53.64 120.63 23.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -16.06 37.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.28 39.94 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p -129.79 166.66 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 p -46.12 -54.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' GLN . . . -42.69 -24.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 28.2 t0 -117.2 -75.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ASP . 21.4 ptt180 -36.3 -45.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 69' ' ' ARG . 1.8 m-20 -84.28 -73.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' ALA . 4.2 tp-100 -101.69 164.9 11.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.2 131.29 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 29' ' ' ILE . 1.7 tt -154.01 137.99 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -113.58 165.35 12.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -82.64 160.43 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.86 25.61 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . 82.0 m-20 -85.32 99.92 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -64.16 100.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.472 HG23 ' CG1' ' A' ' 82' ' ' ILE . 43.0 mt -65.9 103.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.14 -43.13 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.67 152.89 50.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG1' HG23 ' A' ' 79' ' ' ILE . 66.6 mt -132.11 109.0 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 66.22 48.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 65.24 52.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.5 m -164.96 111.22 0.83 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 141.98 46.6 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -87.46 34.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -57.63 179.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -41.84 -43.1 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -44.11 -50.47 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.4 mt -101.79 141.81 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -96.99 179.05 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 54' ' ' VAL . 3.6 p-80 -59.35 -40.67 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 72.4 mt-30 -57.1 -66.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -40.09 -47.62 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.91 -52.46 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.0 mt -57.02 -40.06 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.73 -64.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.4 mt -34.67 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 19.1 mt -75.53 -52.9 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 36.0 mt-30 -67.37 -17.86 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.36 49.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.416 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 16.0 m -155.89 112.66 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.08 155.71 25.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.85 -74.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 m -134.54 137.95 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.6 tp -134.88 103.3 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -88.81 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' CD2' HG22 ' A' ' 82' ' ' ILE . 57.2 mt -126.75 114.3 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.65 100.25 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 77' ' ' ASP . 26.9 m -105.2 162.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.52 160.95 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -143.76 168.76 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 20.4 tt0 -46.28 131.43 7.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 116' ' ' VAL . 53.3 Cg_endo -69.81 161.13 47.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.269 . . . . 0.0 112.294 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' A' ' 117' ' ' HIS . 11.2 p 32.11 44.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 19.5 m-70 -31.68 105.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -116.66 40.7 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.65 158.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.3 p -85.0 81.55 8.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.4 p -70.52 135.71 48.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.9 m -87.08 83.02 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.6 t -95.29 165.55 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.94 83.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 134.61 28.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.7 m -118.18 121.44 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.3 t -113.31 141.24 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -111.34 95.45 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -74.41 83.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.41 87.73 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 8.2 t -161.35 132.27 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.8 m -34.7 -49.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.8 146.53 16.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.42 177.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.47 -108.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.73 -69.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.16 137.85 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.2 p-10 -124.63 154.01 41.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -38.16 -53.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.2 -33.96 71.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.0 t -73.36 -57.28 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.98 -46.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.2 mm -64.95 -49.14 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -61.76 -26.61 68.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 29.9 mt-30 -80.28 -37.68 32.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.7 mtp -75.77 -33.83 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.96 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.7 mm-40 57.83 49.28 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.66 -31.19 3.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -42.64 136.48 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -62.63 117.07 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.43 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 51.0 mt -88.34 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -136.0 132.59 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.47 102.62 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.4 mm -89.19 103.26 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.89 103.64 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.18 130.85 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.84 104.15 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 103' ' ' THR . 7.4 mmm180 -58.39 110.72 2.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.5 p -129.1 -34.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.6 p -87.15 22.3 2.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.54 -139.91 4.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.59 -151.91 5.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 0.8 OUTLIER -58.43 -34.25 70.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.7 16.3 66.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 4.6 p90 -149.12 154.19 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -109.39 175.84 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.35 147.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.486 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 29.6 m -117.08 134.52 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.8 127.22 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.7 mt -146.22 112.57 5.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -47.44 124.79 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 t -71.25 174.23 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.87 -0.51 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -73.55 -75.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.651 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -175.54 149.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.651 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 4.77 78.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -173.25 160.53 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.56 142.55 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 32.5 m-20 -101.32 119.01 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.4 mm -88.49 121.67 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 14.7 m-85 -113.69 145.37 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -79.51 125.27 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' HZ2' ' ND2' ' A' ' 76' ' ' ASN . 19.2 mmtt -135.17 164.43 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 48.78 54.7 10.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' GLN . 61.7 t -75.58 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' VAL . 59.6 mt-30 -38.06 116.47 0.87 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.737 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 53.5 Cg_endo -69.73 -3.96 13.05 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.92 45.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -143.24 -179.09 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' HA ' ' CD ' ' A' ' 69' ' ' ARG . 11.9 p -56.1 -30.09 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.17 61.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 7.7 t70 -89.56 -55.38 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' CD ' ' HA ' ' A' ' 66' ' ' VAL . 13.9 ptt85 -53.55 -43.47 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -42.37 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 69' ' ' ARG . 14.9 pt20 40.32 28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.9 mtt-85 -122.36 -37.57 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 74' ' ' LYS . 2.1 tt -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -121.11 155.21 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.67 151.1 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' ND2' ' HZ2' ' A' ' 59' ' ' LYS . 16.7 m120 65.83 53.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.65 104.65 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.559 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.0 tt0 -69.05 99.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.6 mt -65.4 117.65 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.58 -43.45 14.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.24 150.25 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.6 mt -132.11 118.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 63.64 49.23 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 60.4 52.74 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 m -162.37 114.7 1.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.65 51.75 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 45.07 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -70.67 179.91 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -37.6 -37.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.13 -60.18 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.9 mt -93.28 136.95 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -92.61 -174.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 3.6 p-80 -62.83 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 56.5 mt-30 -51.7 -65.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -44.29 -45.8 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.13 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.1 mt -65.33 -43.9 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.76 -55.79 26.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -43.96 -47.65 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 10.9 mt -68.9 -55.29 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -59.31 -13.75 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -124.11 65.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.494 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 2.9 m -131.27 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 165.39 27.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.2 p -131.35 135.92 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 tp -112.29 101.34 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.67 126.07 37.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.0 mt -131.8 133.26 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.43 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 83.4 mt -109.56 100.57 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.0 157.28 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.53 163.08 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -142.72 136.55 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -56.61 130.83 77.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.31 4.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.2 p -85.99 29.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.58 166.89 22.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -59.28 144.09 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.88 146.05 44.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 t -119.07 -46.48 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.1 m 52.98 28.71 6.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.8 m -101.6 138.84 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 t -135.65 148.89 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -130.55 71.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -78.66 109.47 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.3 m -89.49 113.9 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -139.81 174.52 10.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.87 83.32 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.94 -149.38 5.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.4 t -159.28 132.28 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 33.6 t -34.67 -54.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -173.76 21.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.5 mm? -73.72 -73.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.05 -143.53 16.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -37.57 -59.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -102.19 136.4 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.21 169.23 9.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.09 -31.29 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -77.97 -29.29 49.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -79.18 -46.04 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 p -53.89 -50.05 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.2 mm -61.29 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.02 -34.38 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -72.13 -35.28 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.3 mtp -75.53 -34.55 60.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.97 71.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 57.41 48.28 14.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.45 -34.54 4.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -46.01 134.1 8.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -63.25 114.49 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mt -82.01 144.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -137.56 131.22 31.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -87.84 106.88 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 72' ' ' ARG . 9.2 mm -87.77 130.58 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.17 107.4 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 32' ' ' GLU . 65.7 mt -107.41 135.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 31' ' ' ILE . 21.3 mt-10 -99.08 92.17 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 6.0 mmm180 -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 53.7 Cg_endo -69.72 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.6 -45.33 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -54.12 -44.99 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.28 -115.86 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -158.63 -159.81 9.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -39.07 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 71.6 11.31 72.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CD2' HG11 ' A' ' 58' ' ' VAL . 5.8 p90 -149.59 147.53 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -110.53 171.66 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 22.2 m -142.44 149.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -110.46 162.49 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.49 127.38 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.7 mt -146.61 117.48 7.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.47 121.61 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -76.9 136.28 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' NE2' ' CG ' ' A' ' 50' ' ' ASN . 3.4 pp0? -40.24 -36.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' CG ' ' NE2' ' A' ' 49' ' ' GLN . 10.4 m120 -57.97 -175.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 55.0 tp -40.86 162.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' HG ' ' A' ' 51' ' ' LEU . . . -47.96 87.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.3 ptpp? -146.04 160.78 41.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' HIS . 13.4 t -119.08 141.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 40.8 m-20 -106.35 113.92 27.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 17.3 mm -86.07 118.22 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 61.3 m-85 -115.07 136.28 53.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG11 ' CD2' ' A' ' 41' ' ' PHE . 85.5 t -71.01 116.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.08 163.97 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t70 52.5 54.61 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLN . 90.9 t -69.48 77.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' VAL . 16.5 mt-30 -34.41 112.2 0.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -13.06 34.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.2 29.02 6.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -126.38 171.06 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' ASP . 3.3 p -42.6 -49.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -43.07 -62.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.48 -47.38 38.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 24.7 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' VAL . 25.3 t0 -84.74 173.43 10.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.26 -56.58 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 11.6 ttm180 -170.82 114.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tt -159.22 127.97 5.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -118.52 170.86 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -74.54 163.21 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 53.26 52.21 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . 19.3 m-20 -108.53 110.27 21.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -71.23 117.32 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mm -74.59 101.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.9 mt -75.69 -34.6 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.74 149.0 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.2 mt -130.15 123.06 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.4 m120 54.29 49.9 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 62.1 54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 m -166.13 109.55 0.72 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.183 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.91 55.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.5 mt -94.91 40.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' GLN . 25.4 t0 -58.34 173.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' ASP . 8.8 pt20 -37.37 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.97 138.14 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 m -87.73 -174.94 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 54' ' ' VAL . 3.0 p-80 -67.47 -40.03 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 11.3 mm-40 -57.98 -64.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -40.16 -45.96 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.35 -49.32 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.9 mt -61.72 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.88 -61.76 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' ALA . 39.1 mt -36.44 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 98' ' ' ALA . 27.8 mt -80.44 -54.24 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.81 -12.35 61.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.7 30.6 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.3 m -143.27 105.16 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.62 175.17 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.76 -82.71 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 m -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.4 HD21 ' CD2' ' A' ' 100' ' ' LEU . 59.8 tp -120.19 105.95 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttm105 -89.36 135.88 33.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 31' ' ' ILE . 22.9 mt -138.26 165.91 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 67.7 mt -140.15 115.55 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 77' ' ' ASP . 16.5 m -123.64 154.82 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.41 164.43 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.407 ' NH2' ' HG2' ' A' ' 72' ' ' ARG . 23.6 mtt180 -142.7 140.79 31.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.418 ' CD ' ' HD2' ' A' ' 115' ' ' PRO . 12.6 tp10 -72.04 139.04 82.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 117' ' ' HIS . 54.2 Cg_endo -69.73 160.5 49.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' PRO . 9.4 p 34.12 32.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -59.83 -176.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.3 p -109.74 177.59 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -160.37 111.21 1.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.6 p -76.73 -179.12 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.7 t -144.0 155.56 44.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 49.7 m -163.57 136.7 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -112.17 169.81 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.18 95.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 175.17 8.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.348 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.1 m -147.68 129.64 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -61.13 142.09 56.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -57.49 88.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -150.5 162.09 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -160.8 102.08 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.8 m -35.09 -43.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -120.04 142.57 48.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -50.52 -177.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 7' ' ' GLY . 36.7 mt -34.32 -68.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . 61.6 -104.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' GLY . 4.9 m-20 -34.54 -66.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.43 118.29 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 24.0 m-20 -102.52 169.94 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -39.36 -37.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.65 -38.26 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -68.82 -49.67 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 p -54.21 -48.14 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.2 mm -62.95 -48.06 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -61.14 -29.6 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -76.43 -41.06 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mtp -69.43 -27.76 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.3 55.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 65.36 42.93 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 94.18 -37.37 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' GLY . 59.0 mtm180 -36.62 137.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -64.71 115.32 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 27' ' ' GLU . 39.7 mt -87.4 140.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 26' ' ' ILE . 37.8 mm-40 -131.64 118.57 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -69.7 102.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.2 mm -88.96 105.68 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 5.8 p-10 -91.01 100.44 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -97.42 130.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.09 99.37 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -41.03 110.18 0.7 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.48 49.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -88.63 50.91 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -116.14 -48.75 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.92 -40.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.9 -161.86 8.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 41' ' ' PHE . 2.1 mt -82.59 -42.28 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.43 8.11 36.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CE2' HD11 ' A' ' 39' ' ' LEU . 3.2 p90 -138.9 141.48 38.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 m -94.71 171.72 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.477 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.4 m -141.88 153.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.504 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.5 m -122.92 147.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.18 132.59 46.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 HD13 ' CE1' ' A' ' 57' ' ' PHE . 46.1 mt -147.02 109.07 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.7 tmm_? -49.29 122.48 6.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.471 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -74.43 -180.0 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -102.84 -35.62 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -38.05 -67.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -167.11 172.49 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' N ' ' CD2' ' A' ' 51' ' ' LEU . . . -33.61 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 51' ' ' LEU . 10.1 ptmm? -171.07 166.12 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' CB ' ' HB3' ' A' ' 93' ' ' HIS . 22.8 t -121.48 158.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' OD2' ' CB ' ' A' ' 48' ' ' SER . 66.8 m-20 -117.17 114.07 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 14.4 mm -88.22 112.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 78' ' ' GLN . 97.2 m-85 -104.46 141.45 36.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.7 t -78.22 107.84 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mmtp -115.73 151.74 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.39 54.65 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.32 95.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -39.77 116.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.14 53.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 m -151.44 172.62 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -44.16 -25.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.36 -61.38 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -49.24 -35.84 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ARG . 18.6 t0 -46.12 -21.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ASP . 3.8 pt20 35.29 29.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 mpt_? -130.88 -34.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tt -94.62 123.79 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -107.16 151.73 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 156.87 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 60.55 33.92 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.87 122.56 39.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.543 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 14.0 tt0 -82.77 121.34 26.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.412 ' CD1' ' O ' ' A' ' 56' ' ' ILE . 3.5 mp -82.01 108.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -76.49 -33.23 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.47 147.35 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 ' CG1' HG21 ' A' ' 79' ' ' ILE . 33.1 mt -126.22 114.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 63.22 47.77 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 64.06 54.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 35.4 m -162.9 109.29 1.04 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.4 Cg_endo -69.69 142.56 48.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.4 mt -90.27 38.8 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ASN . 14.5 p-10 -57.43 176.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -41.09 -24.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 5.1 m120 -61.71 -57.32 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.2 mt -92.99 135.84 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.3 m -91.85 178.58 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 54' ' ' VAL . 3.1 p-80 -59.07 -40.76 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 30.0 mt-30 -56.72 -66.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -41.72 -43.36 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.08 -38.13 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 102' ' ' GLN . . . -59.97 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.8 mt -38.23 -35.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.3 mt -71.21 -64.2 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.33 -6.52 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 103' ' ' THR . 22.0 mt-30 -86.47 -75.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 102' ' ' GLN . 0.6 OUTLIER -32.02 147.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.1 m -125.91 14.22 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -152.64 -147.85 4.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 105' ' ' GLY . 18.7 p -37.0 118.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.7 tp -124.07 119.17 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -113.25 127.22 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.9 mt -123.88 110.55 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.13 103.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -106.36 161.16 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -128.62 159.47 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.13 116.68 66.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -180.0 3.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.37 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -130.03 171.3 12.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 t -72.52 141.39 48.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 120' ' ' SER . 3.1 tppt? -174.72 155.99 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 39.5 t -80.44 96.81 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -174.27 133.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.8 p -92.88 137.6 32.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.3 m -83.65 173.8 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.72 135.59 5.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -173.72 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.25 . . . . 0.0 112.332 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.9 t -144.87 162.36 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.7 m -99.15 -55.21 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -148.13 153.13 38.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 p -126.13 82.74 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.57 77.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -100.92 81.22 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m 63.25 42.95 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.71 166.81 28.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.51 172.37 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.08 -126.95 2.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -48.16 -59.77 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -96.5 142.22 28.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 -110.86 165.64 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -45.03 -35.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.4 -30.63 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.2 t -78.19 -49.45 13.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 p -54.02 -44.99 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.19 -48.11 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -61.44 -31.25 71.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -75.04 -37.2 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.3 mtp -74.73 -34.83 62.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.22 38.48 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -28.95 9.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -41.36 140.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.7 tt0 -62.67 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.71 142.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -137.97 154.97 49.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.8 101.41 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.18 109.3 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.438 ' N ' ' HG2' ' A' ' 71' ' ' GLN . 17.0 t0 -85.11 115.75 23.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 109' ' ' LEU . 41.3 mt -112.27 135.45 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.81 99.41 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -43.93 118.25 2.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -164.82 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -93.39 -43.33 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.3 -47.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.62 151.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.0 72.89 2.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' ' 41' ' ' PHE . 0.7 OUTLIER 45.81 24.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.12 12.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -156.01 142.57 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -108.02 175.9 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.05 152.59 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 18.8 m -124.23 129.56 74.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 130.34 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.6 mt -145.99 107.32 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 47' ' ' ARG . 1.9 tmm_? -44.6 115.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.2 t -72.91 123.17 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' SER . 29.8 mt-30 -33.69 -34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' SER . 72.4 m-20 -57.12 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -51.96 174.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.474 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.01 89.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' LEU . 5.2 ptmm? -164.98 146.33 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' CB ' ' HB3' ' A' ' 93' ' ' HIS . 29.9 t -115.23 152.97 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -109.96 119.38 39.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -92.24 116.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 85.6 m-85 -113.22 137.81 50.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.5 t -78.92 114.12 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmmt -118.26 177.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.12 45.37 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 62' ' ' GLN . 80.2 t -67.42 85.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 61' ' ' VAL . 10.0 mm100 -34.39 116.46 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.58 5.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.56 49.76 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -143.95 179.22 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.945 0.402 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 67' ' ' ALA . 7.8 p -42.56 -33.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' N ' HG11 ' A' ' 66' ' ' VAL . . . -50.25 -41.69 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' ASP . 7.0 t0 -108.29 -67.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' ASP . 9.6 ptp180 -35.49 -31.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' ASP . 4.3 t70 -92.16 -70.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.438 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 3.3 tp60 -110.5 -174.59 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -111.12 28.97 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 tt -48.51 121.65 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -88.48 157.73 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.11 153.5 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 58.64 42.47 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.6 113.77 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.7 tt0 -71.65 115.26 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.453 HG21 ' CG1' ' A' ' 82' ' ' ILE . 21.7 mt -79.13 114.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.1 -43.38 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.18 153.0 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.453 ' CG1' HG21 ' A' ' 79' ' ' ILE . 73.5 mt -130.94 107.97 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.1 m120 62.77 46.7 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 69.68 48.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 m -158.4 105.05 1.67 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.2 44.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.6 mt -90.14 39.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 90' ' ' ASN . 28.9 t70 -64.67 173.21 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' ASP . 4.0 pt20 -36.6 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' ASP . 3.9 m120 -54.27 -54.72 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 92' ' ' SER . 2.5 mt -98.65 142.63 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' HG21 ' A' ' 91' ' ' ILE . 48.3 m -94.15 -179.49 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 54' ' ' VAL . 3.0 p-80 -62.23 -41.88 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.448 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 5.3 mm-40 -56.24 -64.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -44.43 -47.4 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.98 42.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 mt -59.89 -46.4 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.13 -58.17 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -37.94 -38.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.91 -55.89 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.2 -15.43 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 103' ' ' THR . 22.0 mt-30 -101.05 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 102' ' ' GLN . 5.1 m -36.58 106.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.5 m -87.92 160.18 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 59.07 -158.69 20.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.535 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 105' ' ' GLY . 1.7 m -32.24 146.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' ILE . 55.8 tp -139.75 106.09 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.66 113.61 25.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 31' ' ' ILE . 81.0 mt -116.82 117.75 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 74.4 mt -87.42 101.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -107.68 154.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 162.38 13.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLN . 16.3 ttm-85 -132.94 153.13 51.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -112.04 134.05 21.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.58 10.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.0 t -138.61 141.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -99.79 -49.98 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -64.36 169.72 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -100.56 -178.73 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.8 m -147.08 172.78 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.3 p -164.12 169.63 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -145.21 155.87 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.6 p -174.83 127.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 142.55 87.97 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.5 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.755 2.303 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.9 p -138.67 178.7 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' GLY . 85.2 p -170.54 115.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -116.74 122.43 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 p -133.32 115.52 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.74 156.44 15.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -51.16 93.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -119.6 108.67 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.09 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -148.26 116.2 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.24 -105.63 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -55.46 -57.35 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.17 119.82 39.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.9 OUTLIER -94.9 159.06 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -43.12 -48.68 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -62.43 -29.5 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.3 t -76.95 -56.16 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -48.04 -45.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.1 mm -62.87 -50.51 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -59.82 -31.33 69.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.95 -37.92 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.7 mtp -73.93 -37.32 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -39.03 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.7 43.12 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.4 -29.39 8.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -41.41 136.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -61.84 109.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.428 ' CG2' HG22 ' A' ' 110' ' ' ILE . 42.5 mt -85.14 144.41 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -140.91 137.04 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.6 108.84 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' A' ' 73' ' ' LEU . 13.9 mm -95.78 101.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.55 126.71 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.9 mt -120.73 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.04 92.49 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' NE ' ' O ' ' A' ' 103' ' ' THR . 4.8 mmm180 -50.19 119.3 10.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 54.1 Cg_endo -69.76 150.26 68.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 m -57.5 -50.07 74.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -84.57 25.03 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . 57.57 166.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.14 82.25 0.95 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -35.4 75.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.29 10.85 63.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.4 p90 -140.9 137.0 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -97.7 173.17 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.6 m -143.49 149.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -117.77 134.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.36 124.49 38.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.4 mt -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.9 tmm_? -40.64 123.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.0 t -67.64 178.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -100.59 -13.35 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -72.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -176.29 144.01 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.34 80.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 19.1 ptmt -166.96 171.91 10.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 93' ' ' HIS . 33.0 t -128.8 145.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.1 m-20 -107.43 114.7 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.452 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 17.5 mm -88.13 104.75 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 78.8 m-85 -99.68 133.64 43.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG11 ' CG2' ' A' ' 61' ' ' VAL . 32.5 t -72.79 108.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.3 mmmt -113.18 161.86 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 51.23 51.5 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.432 ' CG2' HG11 ' A' ' 58' ' ' VAL . 93.1 t -75.41 92.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -54.09 120.14 23.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.27 44.38 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' VAL . 19.5 m -144.17 144.52 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.1 p -33.8 -37.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' SER . . . -35.53 -49.2 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.1 t0 -118.13 -59.34 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 21.0 ptt85 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 68' ' ' ASP . 32.0 t70 -52.43 -64.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -131.79 -70.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.15 141.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 29' ' ' ILE . 3.5 tt -168.88 129.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' HD23 ' A' ' 73' ' ' LEU . 4.8 mmmm -108.86 163.41 13.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.63 166.86 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 56.92 32.64 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -90.88 102.09 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.51 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.6 tt0 -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.441 HG23 ' CG1' ' A' ' 82' ' ' ILE . 79.1 mt -64.54 103.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.37 -47.53 55.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.42 153.06 51.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.441 ' CG1' HG23 ' A' ' 79' ' ' ILE . 74.2 mt -131.95 112.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 64.18 45.22 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t60 67.3 50.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.9 m -161.12 106.71 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 144.35 53.27 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.33 43.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' ASN . 36.5 t0 -65.08 174.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 10.7 pt20 -35.44 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' ASP . 39.1 m-20 -55.59 -57.51 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 92' ' ' SER . 3.7 mt -94.67 142.39 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.439 ' N ' HG21 ' A' ' 91' ' ' ILE . 19.2 m -94.69 -176.2 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 3.9 p-80 -64.66 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.89 -66.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -39.93 -47.16 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.02 -51.8 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -56.56 -45.08 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -51.62 -61.3 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.8 mt -35.5 -42.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.0 -46.69 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.5 mt-30 -75.17 -10.01 59.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.22 40.39 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.427 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.0 m -142.54 105.49 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -91.92 142.79 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 85.84 -174.71 48.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' GLY . 57.7 p -33.55 122.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.394 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.0 tp -112.1 103.32 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -80.42 127.22 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.0 mt -132.36 111.01 10.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.428 HG22 ' CG2' ' A' ' 26' ' ' ILE . 89.4 mt -86.53 100.32 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -105.58 158.22 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -133.56 157.67 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -115.19 130.34 24.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 177.74 5.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.22 126.63 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -115.74 -51.39 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.7 t -146.58 145.04 29.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -101.55 140.58 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.9 t -127.79 154.52 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -136.94 159.87 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 30.0 m -157.14 137.65 13.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -66.37 157.22 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.6 115.66 0.87 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.14 9.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.9 m -154.76 153.78 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -82.1 158.42 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.09 -33.59 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.7 -27.09 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -82.05 -48.44 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.707 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.1 p -52.28 -47.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -65.29 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -68.39 -21.68 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -86.62 -35.65 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.707 ' SD ' HG22 ' A' ' 16' ' ' VAL . 38.3 mtp -75.32 -34.87 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.32 -37.63 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.89 44.73 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -26.09 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -48.39 141.02 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.07 119.08 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 41.0 mt -93.86 138.66 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -131.56 141.51 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -97.05 101.62 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mm -89.32 101.17 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.15 117.54 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 1.035 HD11 HD12 ' A' ' 73' ' ' LEU . 29.2 mt -111.08 137.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -92.54 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.722 . . . . 0.0 110.886 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 12.14 84.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 5.9 p90 -142.48 157.88 44.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -114.11 174.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.19 151.36 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -120.71 140.73 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.97 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 mt -139.59 109.94 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 2.0 tmm_? -51.59 128.19 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.49 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 7.6 t -79.18 -176.74 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -105.69 -31.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -43.24 -58.53 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.3 tt -173.03 157.26 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . -27.17 90.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 51' ' ' LEU . 9.0 ptpt -162.03 173.85 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.734 HG11 ' HB3' ' A' ' 93' ' ' HIS . 16.0 t -130.88 132.82 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 77.2 m-20 -98.17 113.22 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 93' ' ' HIS . 18.9 mm -86.41 125.13 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 56.2 m-85 -120.96 140.29 52.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.834 HG21 HD21 ' A' ' 73' ' ' LEU . 48.0 t -77.11 114.05 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 10.4 mmmt -122.83 156.29 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.17 51.93 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.2 t -74.21 82.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 25.9 mt-30 -40.66 103.34 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' GLN . 53.5 Cg_endo -69.84 84.14 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.32 -21.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 p -79.55 177.27 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.822 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.035 HD12 HD11 ' A' ' 31' ' ' ILE . 1.8 tt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -95.12 161.34 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -78.97 159.82 27.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 59.21 37.0 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.47 ' HB3' HG11 ' A' ' 111' ' ' VAL . 27.8 m-20 -100.53 102.4 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 4.3 tt0 -61.69 111.91 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.44 HG21 ' CG1' ' A' ' 82' ' ' ILE . 12.3 mt -76.67 114.5 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.38 -44.77 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.62 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -141.19 151.87 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.522 HG12 HD22 ' A' ' 109' ' ' LEU . 74.2 mt -131.86 109.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.576 HD21 HD12 ' A' ' 107' ' ' LEU . 11.0 m120 64.51 47.11 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 66.87 47.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.9 m -159.12 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.05 49.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.86 33.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.7 t0 -58.31 174.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 4.8 pt20 -36.82 -33.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ASP . 17.3 m120 -53.52 -57.8 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.4 mt -92.29 135.4 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 -174.68 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.734 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.6 p-80 -68.42 -39.04 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.412 ' HG2' ' NE2' ' A' ' 93' ' ' HIS . 3.6 mm100 -58.75 -59.62 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.575 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.3 mt-30 -44.87 -45.71 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.65 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.06 -45.14 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.739 ' HB1' ' OE1' ' A' ' 102' ' ' GLN . . . -52.46 -61.46 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.7 mt -37.61 -34.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.66 HD23 HD11 ' A' ' 107' ' ' LEU . 19.5 mt -79.06 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -58.06 -16.44 12.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.739 ' OE1' ' HB1' ' A' ' 98' ' ' ALA . 37.2 mt-30 -97.99 -66.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' GLN . 5.3 m -36.6 117.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 105' ' ' GLY . 15.5 m -111.82 167.96 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 104' ' ' THR . . . 70.08 -80.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 m -117.83 133.41 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.824 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.66 HD11 HD23 ' A' ' 100' ' ' LEU . 19.3 tp -129.28 109.94 11.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.9 ' O ' HD23 ' A' ' 109' ' ' LEU . 35.9 ttp180 -96.07 146.43 24.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.9 HD23 ' O ' ' A' ' 108' ' ' ARG . 41.9 mt -143.32 117.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 56.4 mt -94.91 100.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 77' ' ' ASP . 34.5 m -106.29 159.28 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.3 18.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.01 142.83 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.882 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' ASP . 14.1 t80 -34.13 -61.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 59.7 m-80 -53.52 -38.28 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -67.89 -56.7 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.613 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -54.17 -43.23 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 81' ' ' ALA . 28.3 mm -63.09 -49.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -58.57 -33.69 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 24.2 mm-40 -71.62 -38.95 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.613 ' SD ' HG22 ' A' ' 16' ' ' VAL . 26.3 mtp -72.25 -36.06 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.12 88.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 32.2 mm-40 62.45 46.99 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.14 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -45.59 143.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.22 116.58 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.87 144.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.85 130.2 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -85.98 102.25 13.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 73' ' ' LEU . 10.7 mm -94.01 111.48 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.55 119.64 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.444 HD12 HD12 ' A' ' 109' ' ' LEU . 80.7 mt -115.6 132.34 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' O ' HG21 ' A' ' 66' ' ' VAL . 16.9 mt-10 -92.37 96.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.918 0.39 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.07 13.19 40.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 3.7 p90 -142.09 131.81 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -90.82 172.55 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 m -140.83 156.67 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 m -122.6 139.91 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.45 121.66 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -139.62 113.15 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -58.09 138.44 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -84.72 163.94 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -83.04 -25.85 31.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -50.57 -66.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.867 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -172.36 -174.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.867 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.4 91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.2 ptmt -171.95 148.53 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 93' ' ' HIS . 12.0 t -119.4 137.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -101.02 112.67 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.776 HD11 ' HA ' ' A' ' 93' ' ' HIS . 20.5 mm -86.48 117.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 61.4 m-85 -110.62 143.32 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG12 ' CG2' ' A' ' 61' ' ' VAL . 64.8 t -79.07 109.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 19.8 mmmt -116.2 157.91 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.8 t70 55.53 53.12 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.841 HG23 ' OE1' ' A' ' 75' ' ' GLU . 37.2 t -74.36 107.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -57.87 115.45 11.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.27 8.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.07 67.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -168.64 170.93 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 32' ' ' GLU . 8.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 29' ' ' ILE . 2.3 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -108.21 168.14 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.841 ' OE1' HG23 ' A' ' 61' ' ' VAL . 1.4 tp10 -74.65 155.25 37.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 65.43 49.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.478 ' HB3' HG11 ' A' ' 111' ' ' VAL . 11.3 m-20 -106.3 99.15 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.9 tt0 -65.38 103.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.5 mt -69.53 106.16 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.37 -47.74 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -135.32 152.72 51.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 109' ' ' LEU . 86.0 mt -132.0 115.84 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.2 m120 59.84 43.47 15.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 70.35 46.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 39.9 m -154.82 106.86 2.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.2 Cg_endo -69.78 144.09 52.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' A' ' 96' ' ' ALA . 17.0 mt -93.52 48.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.3 p30 -72.28 173.64 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' HB3' HD21 ' A' ' 51' ' ' LEU . 16.4 pt20 -36.51 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -57.38 -48.8 78.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.622 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.3 mt -105.05 138.3 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -93.28 -174.8 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.776 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.6 p-80 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mt-30 -52.92 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' A' ' 91' ' ' ILE . 15.5 mp0 -39.09 -51.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.701 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -46.56 -51.38 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.11 -39.23 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.8 -65.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 40.5 mt -34.41 -37.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.643 ' HB3' HD11 ' A' ' 39' ' ' LEU . 33.1 mt -71.05 -49.21 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.8 mt-30 -74.23 -13.9 60.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 99' ' ' LEU . 5.3 pt20 -115.32 39.8 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.4 m -145.85 123.17 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.32 -177.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.87 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p -123.98 143.38 50.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 100' ' ' LEU . 66.6 tp -130.12 103.02 6.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.701 ' O ' HD23 ' A' ' 109' ' ' LEU . 6.6 ttm-85 -85.5 130.0 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 108' ' ' ARG . 56.0 mt -136.92 113.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -98.1 100.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 79' ' ' ILE . 34.4 m -105.02 157.85 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.56 163.76 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -144.82 133.8 22.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.9 p30 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.434 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 14.4 t80 -38.1 -55.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -57.93 -32.42 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -73.3 -55.64 6.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.719 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -51.7 -41.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 81' ' ' ALA . 34.5 mm -65.01 -51.53 65.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -58.66 -30.34 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -75.56 -37.95 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.719 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.7 mtp -75.1 -31.06 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.6 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 57.92 51.46 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 -33.69 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -42.66 137.11 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.86 115.56 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 34.5 mt -82.88 142.92 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -137.09 115.38 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -73.05 104.72 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 73' ' ' LEU . 24.5 mm -88.43 116.64 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.24 122.64 35.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.557 HD11 ' CD1' ' A' ' 73' ' ' LEU . 82.9 mt -123.28 128.15 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.47 100.01 12.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.839 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 1.1 mt . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.79 88.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.6 p90 -138.38 137.41 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -97.85 173.88 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.15 154.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 1.9 m -120.81 140.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.62 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.413 ' C ' HG13 ' A' ' 54' ' ' VAL . 33.0 mt -130.96 120.02 22.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -55.58 121.09 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -79.45 145.55 33.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -85.7 36.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 8.4 m120 -101.39 -73.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -173.41 105.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' N ' HD13 ' A' ' 51' ' ' LEU . . . 34.37 77.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 50' ' ' ASN . 7.5 ptpp? -171.43 157.08 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 93' ' ' HIS . 25.4 t -121.11 137.26 55.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -95.21 117.74 30.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 93' ' ' HIS . 31.3 mm -88.28 117.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -110.43 141.72 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.639 HG12 HG22 ' A' ' 61' ' ' VAL . 59.7 t -80.4 106.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 14.9 mmmt -111.08 164.72 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 50.85 48.32 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.639 HG22 HG12 ' A' ' 58' ' ' VAL . 77.0 t -71.8 96.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -49.75 122.65 13.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.11 54.99 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.9 m -151.54 160.04 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 8.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.557 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.5 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -104.96 164.31 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -74.2 163.99 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 59.82 25.16 14.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.433 ' HB3' HG11 ' A' ' 111' ' ' VAL . 40.4 m-20 -81.62 103.01 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.25 99.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 111' ' ' VAL . 31.3 mt -69.18 110.09 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.3 -50.29 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -132.09 150.5 52.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.781 HG12 HD22 ' A' ' 109' ' ' LEU . 89.0 mt -131.99 118.67 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.489 HD21 HG21 ' A' ' 103' ' ' THR . 22.6 m120 58.51 51.49 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 60.28 54.0 4.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.6 m -166.77 109.11 0.66 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.193 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.5 48.14 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.77 34.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -56.04 178.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.1 pp0? -43.18 -31.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -56.42 -41.73 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -109.13 139.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.8 m -96.39 -174.82 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.635 ' CE1' ' HG2' ' A' ' 94' ' ' GLN . 1.9 p80 -61.08 -49.12 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.635 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 36.9 mt-30 -49.4 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 91' ' ' ILE . 15.8 mp0 -40.4 -48.77 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.42 -48.62 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.21 -40.68 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.533 ' HB1' ' OE1' ' A' ' 102' ' ' GLN . . . -52.59 -55.76 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.4 mt -43.63 -52.39 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 107' ' ' LEU . 44.9 mt -53.15 -57.49 10.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.53 -15.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.533 ' OE1' ' HB1' ' A' ' 98' ' ' ALA . 27.3 mt-30 -114.19 42.6 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.489 HG21 HD21 ' A' ' 83' ' ' ASN . 53.5 m -145.04 106.85 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.68 140.74 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -71.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.6 p -136.25 132.86 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.638 HD11 HD23 ' A' ' 100' ' ' LEU . 41.2 tp -123.0 101.77 7.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -98.33 112.34 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.781 HD22 HG12 ' A' ' 82' ' ' ILE . 42.3 mt -114.63 120.94 41.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 69.0 mt -96.25 102.43 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 79' ' ' ILE . 26.0 m -105.03 155.97 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.59 165.17 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -139.17 151.15 46.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.6 t80 -34.72 -60.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 62.4 m-80 -54.2 -36.67 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.6 t -68.77 -56.56 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.449 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -53.71 -42.99 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 81' ' ' ALA . 21.9 mm -64.87 -50.69 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -58.41 -25.79 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 13.5 mt-30 -78.68 -39.29 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.0 mtp -72.79 -34.9 67.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -77.23 -33.99 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.1 mm-40 62.23 45.28 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 -28.08 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -40.26 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.45 111.97 8.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 17' ' ' ILE . 43.5 mt -95.02 139.05 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -137.21 157.94 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -102.53 102.07 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.615 HG21 HD12 ' A' ' 73' ' ' LEU . 41.8 mm -88.06 101.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.82 102.07 13.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD11 HD12 ' A' ' 73' ' ' LEU . 96.8 mt -95.82 128.61 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.8 90.57 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.678 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 7.1 mmt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.678 HD21 ' CZ ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.029 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.53 19.49 79.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 58' ' ' VAL . 2.4 p90 -150.88 138.63 19.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -98.93 175.47 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.99 151.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.22 136.27 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.13 120.11 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.595 HD12 ' CD2' ' A' ' 57' ' ' PHE . 10.7 mt -136.56 109.44 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.8 tmm_? -46.86 126.9 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.492 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.1 t -83.43 174.03 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -101.54 -9.2 21.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -52.17 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.2 tm? -175.04 107.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 36.1 76.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -165.61 173.95 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -130.36 147.44 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -105.99 113.85 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.679 HD11 ' HA ' ' A' ' 93' ' ' HIS . 14.6 mm -86.82 117.18 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.595 ' CD2' HD12 ' A' ' 46' ' ' LEU . 90.3 m-85 -112.82 140.47 47.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.686 HG11 ' CD2' ' A' ' 73' ' ' LEU . 54.0 t -81.39 119.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -133.4 160.62 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t70 63.86 50.34 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.35 90.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -41.46 121.95 2.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.18 32.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.58 63.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -153.38 -178.61 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.686 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.3 tt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.72 167.62 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.39 153.74 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 61.52 24.91 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.1 m-20 -88.48 101.58 14.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -63.82 118.13 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.601 HG21 HG12 ' A' ' 82' ' ' ILE . 33.2 mt -78.77 102.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 21' ' ' ALA . 80.6 mt -68.89 -44.27 73.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 110' ' ' ILE . . . -137.77 153.84 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.601 HG12 HG21 ' A' ' 79' ' ' ILE . 62.0 mt -131.98 111.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 62.73 48.07 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t60 66.02 54.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.7 m -166.1 111.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 143.17 50.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.59 49.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' GLN . 11.2 t70 -72.48 175.82 5.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.3 pp0? -35.67 -37.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -50.37 -54.14 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.445 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.8 mt -95.6 135.76 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.5 m -90.53 -174.79 4.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.679 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.7 p80 -65.83 -39.92 91.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.414 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 56.8 mt-30 -57.54 -62.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.4 mm-40 -44.8 -43.35 8.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.25 -47.68 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 mt -62.96 -38.93 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.69 -61.26 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -38.86 -27.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' ALA . 42.2 mt -80.73 -66.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -60.74 -12.09 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -114.12 44.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.0 m -153.94 108.88 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 105' ' ' GLY . 11.2 m -104.43 168.01 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 104' ' ' THR . . . 75.92 -83.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.426 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -118.36 146.56 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.4 tp -138.99 105.46 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.515 ' O ' HD23 ' A' ' 109' ' ' LEU . 7.2 ttm180 -91.48 130.86 37.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.543 ' CD2' HG23 ' A' ' 82' ' ' ILE . 49.4 mt -134.69 117.63 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 81' ' ' ALA . 98.8 mt -93.66 100.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.34 162.17 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.14 167.43 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.13 153.61 46.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.2 p30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 19.4 t80 -36.67 -56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -57.48 -35.45 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -70.29 -56.96 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.672 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -51.29 -44.43 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 26' ' ' ILE . 38.4 mm -65.19 -47.6 86.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.21 -26.76 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.7 -36.73 37.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.672 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.1 mtp -76.11 -31.86 58.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -75.34 -42.64 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 63.26 48.84 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -39.32 3.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 58.4 mtm180 -38.81 138.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -68.07 116.67 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.555 ' CG2' HG23 ' A' ' 110' ' ' ILE . 31.8 mt -86.21 141.62 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -132.02 136.57 47.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -86.0 106.43 17.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 73' ' ' LEU . 16.2 mm -88.03 115.15 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -98.83 108.08 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.6 mt -105.97 133.32 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.809 ' O ' HG21 ' A' ' 66' ' ' VAL . 4.9 tt0 -93.33 95.95 9.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.457 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.6 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 65' ' ' SER . . . 91.17 6.27 66.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CD1' HG13 ' A' ' 58' ' ' VAL . 3.0 p90 -138.92 131.84 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 m -93.55 176.02 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 6.3 m -142.37 152.43 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 59' ' ' LYS . 6.6 m -119.34 149.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -108.02 126.72 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -137.78 107.58 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 48' ' ' SER . 5.2 tmm_? -51.05 128.73 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -89.42 151.37 22.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 50' ' ' ASN . 7.0 pt20 -76.25 -36.34 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 4.3 m120 -34.39 -61.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 52' ' ' GLY . 3.4 tt -175.23 159.22 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.635 ' N ' HD23 ' A' ' 51' ' ' LEU . . . -27.89 88.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.1 ptmm? -168.39 160.69 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 93' ' ' HIS . 12.6 t -122.75 145.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.4 112.23 24.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 93' ' ' HIS . 20.4 mm -86.3 123.11 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 78' ' ' GLN . 90.4 m-85 -115.1 140.48 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 41' ' ' PHE . 87.8 t -73.33 110.69 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 44' ' ' VAL . 9.2 mmmt -122.94 151.58 41.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 69.26 52.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.05 90.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.49 123.76 85.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.696 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.66 41.52 2.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.414 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 21.3 m -142.65 174.12 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.809 HG21 ' O ' ' A' ' 32' ' ' GLU . 10.1 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 29' ' ' ILE . 3.4 tt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -113.81 156.53 23.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 17.7 tt0 -65.36 171.92 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 76' ' ' ASN . 1.9 p-10 47.64 40.29 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.565 ' HB3' HG11 ' A' ' 111' ' ' VAL . 30.8 m-20 -93.63 106.57 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 57' ' ' PHE . 4.2 tt0 -64.4 94.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 109' ' ' LEU . 17.2 mt -64.87 106.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.94 -50.52 22.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.3 153.57 51.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.549 HG12 HD22 ' A' ' 109' ' ' LEU . 64.5 mt -132.07 119.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.8 m120 58.98 44.68 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 67.48 54.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 93.2 m -164.77 111.28 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.7 Cg_endo -69.78 144.51 54.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 mt -97.23 44.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' ASN . 7.5 p-10 -72.41 -175.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -41.13 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' ASP . 92.2 m-20 -61.01 -56.0 26.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 95' ' ' GLN . 4.0 mt -102.34 136.87 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m -87.67 -175.46 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.825 ' HA ' HD11 ' A' ' 56' ' ' ILE . 2.1 p80 -65.23 -40.5 94.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 9.5 mm-40 -56.85 -65.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.539 ' HB2' HG23 ' A' ' 91' ' ' ILE . 8.5 mm-40 -41.83 -44.92 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.66 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.05 -41.31 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -57.47 -61.21 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.9 mt -37.92 -44.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HB3' HD11 ' A' ' 39' ' ' LEU . 16.5 mt -66.62 -46.55 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -71.39 -13.19 61.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -119.73 42.48 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.613 HG21 HD13 ' A' ' 107' ' ' LEU . 3.1 m -103.59 147.87 26.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 106' ' ' SER . 1.1 p -131.6 172.12 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.94 -89.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 t -120.42 152.97 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 109' ' ' LEU . 42.7 tp -122.08 104.47 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.797 ' O ' HD23 ' A' ' 109' ' ' LEU . 7.3 ttm180 -96.92 130.32 44.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 108' ' ' ARG . 30.0 mt -133.37 122.47 23.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG23 ' CG2' ' A' ' 26' ' ' ILE . 87.8 mt -97.06 102.95 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 77' ' ' ASP . 32.6 m -105.07 159.86 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.32 161.06 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -142.17 157.3 45.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.852 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.1 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.8 -32.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -76.08 -34.85 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ASP . 8.4 t -73.31 -53.58 10.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.0 -45.45 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 81' ' ' ALA . 29.7 mm -65.25 -48.86 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -61.05 -18.95 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.18 -34.55 20.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.9 mtp -80.02 -33.11 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.64 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 53.52 38.53 28.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.22 -25.36 14.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -49.48 141.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 118.22 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -84.85 145.49 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -138.74 126.7 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -86.98 101.73 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.426 HD11 HH21 ' A' ' 113' ' ' ARG . 7.7 mm -89.95 106.74 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -89.98 102.84 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.779 HD11 ' CD1' ' A' ' 73' ' ' LEU . 47.7 mt -98.29 128.76 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ARG . 5.5 mt-10 -77.92 78.53 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' NH1' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.687 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.4 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' CB ' ' A' ' 65' ' ' SER . . . 89.42 4.23 74.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.9 p90 -134.89 135.96 42.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -94.5 172.91 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.4 141.38 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m -110.75 133.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.521 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -93.46 126.73 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD12 ' CD1' ' A' ' 57' ' ' PHE . 14.3 mt -139.32 108.61 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 48' ' ' SER . 3.8 tmm_? -51.45 124.12 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.467 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -76.29 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -90.46 -35.97 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -39.04 -59.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -174.19 -176.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.831 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -46.15 89.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.5 ptmt -165.92 164.05 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.686 HG11 ' HB3' ' A' ' 93' ' ' HIS . 21.5 t -123.2 145.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -105.36 109.46 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' A' ' 93' ' ' HIS . 12.1 mm -87.5 120.75 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 78' ' ' GLN . 82.1 m-85 -116.18 155.18 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.5 t -83.16 113.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 25.1 mmtt -131.25 144.65 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 75.03 49.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.2 94.64 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -62.48 133.52 94.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.08 37.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.5 60.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.483 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 1.3 p -162.03 162.82 28.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.779 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.4 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.362 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -109.83 161.03 15.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 9.6 tt0 -66.32 174.92 2.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 2.0 p-10 45.81 44.19 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 58' ' ' VAL . 10.2 m-20 -106.67 106.19 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.54 ' OE1' HD23 ' A' ' 80' ' ' LEU . 1.7 tm0? -69.25 117.31 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.58 106.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.54 HD23 ' OE1' ' A' ' 78' ' ' GLN . 46.9 mt -72.57 -43.02 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.537 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -141.83 153.81 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.567 HG12 HD22 ' A' ' 109' ' ' LEU . 62.4 mt -131.65 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.27 48.62 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.1 t60 64.62 51.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -160.98 114.36 1.31 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.36 50.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 96' ' ' ALA . 2.2 mt -98.75 41.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLN . 18.3 p-10 -76.31 -175.23 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.58 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.3 pt20 -34.52 -42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 5.9 m-20 -49.41 -53.47 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.1 mt -100.33 142.79 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -100.59 -175.17 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.89 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.6 p80 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 46.5 mt-30 -55.5 -56.33 21.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.46 ' HB2' HG23 ' A' ' 91' ' ' ILE . 32.6 mt-30 -49.98 -49.65 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -48.34 -45.23 35.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 100' ' ' LEU . 19.4 mt -62.49 -45.72 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.36 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.5 mt -39.12 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB3' HD11 ' A' ' 39' ' ' LEU . 6.5 mt -85.28 -63.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.9 -11.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' THR . 17.1 mt-30 -101.77 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' GLN . 2.3 m -33.32 135.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -125.62 147.98 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.32 -89.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -109.06 135.81 49.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 tp -123.32 103.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.605 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.8 ttm105 -97.64 132.3 43.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 108' ' ' ARG . 26.7 mt -133.03 131.19 40.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 81' ' ' ALA . 77.3 mt -107.25 100.65 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.1 m -105.06 156.77 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -110.71 162.41 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.426 HH21 HD11 ' A' ' 29' ' ' ILE . 11.9 mtt180 -140.98 147.72 39.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.9 p-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -40.61 -51.07 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -61.61 -33.02 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.4 t -74.37 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.77 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.7 p -45.72 -46.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.781 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.8 mm -61.87 -51.76 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -58.51 -32.67 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.79 -41.17 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.77 ' SD ' HG22 ' A' ' 16' ' ' VAL . 21.9 mtp -69.36 -37.53 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -34.97 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 58.99 42.1 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.54 -28.12 9.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -46.41 137.4 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.0 tt0 -62.14 114.14 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 17' ' ' ILE . 47.3 mt -87.47 142.24 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -137.29 127.07 25.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -76.58 101.45 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG21 ' HG ' ' A' ' 73' ' ' LEU . 33.6 mm -93.49 104.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.33 136.16 33.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.617 HD11 ' CD1' ' A' ' 73' ' ' LEU . 96.7 mt -132.2 131.17 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG21 ' A' ' 66' ' ' VAL . 11.3 mt-10 -88.89 97.63 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.901 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.09 65.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.3 p90 -141.93 132.03 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 m -90.58 165.77 13.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 56' ' ' ILE . 28.9 m -136.05 147.2 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -116.79 134.5 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.39 115.71 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' C ' HG13 ' A' ' 54' ' ' VAL . 26.9 mt -135.72 116.02 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -44.59 121.76 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.22 163.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -94.93 38.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -115.61 -77.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.874 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.19 132.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 26.73 75.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.436 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -174.62 162.33 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 55' ' ' ASP . 42.7 t -124.97 155.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.546 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 18.4 m-20 -113.46 119.08 36.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.427 HG23 ' HB ' ' A' ' 43' ' ' VAL . 24.1 mm -89.96 111.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 79.6 m-85 -108.36 140.17 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG12 HG22 ' A' ' 61' ' ' VAL . 97.1 t -77.96 110.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -114.29 155.06 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t0 58.25 49.85 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.644 HG22 HG12 ' A' ' 58' ' ' VAL . 85.1 t -70.34 91.76 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.6 118.81 28.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.9 27.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.27 38.23 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' VAL . 82.4 p -137.04 146.21 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' SER . 10.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.617 ' CD1' HD11 ' A' ' 31' ' ' ILE . 1.6 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.6 mmmp? -113.03 162.63 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -80.74 160.43 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 60.04 32.48 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -92.06 106.39 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.562 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 3.5 tt0 -70.59 111.45 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.63 108.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.88 -47.84 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.781 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -134.17 153.47 51.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.653 HD12 HD21 ' A' ' 87' ' ' LEU . 36.6 mt -132.11 123.81 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.629 ' OD1' HG22 ' A' ' 82' ' ' ILE . 0.6 OUTLIER 47.13 47.55 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t60 67.6 54.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 20.8 m -163.33 105.23 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.155 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.6 Cg_endo -69.77 142.29 47.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.653 HD21 HD12 ' A' ' 82' ' ' ILE . 17.8 mt -94.95 43.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.82 177.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -43.3 -26.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.08 -48.23 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.401 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -95.76 130.29 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m -88.03 -175.1 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 1.8 p80 -63.73 -42.57 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.45 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.5 mt-30 -54.49 -64.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.5 mm100 -42.59 -48.44 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.63 -52.39 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.439 HG22 ' HG3' ' A' ' 101' ' ' GLN . 18.6 mt -56.68 -46.63 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.86 65.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.6 mt -47.01 -45.17 20.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.447 ' HB3' HD11 ' A' ' 39' ' ' LEU . 12.6 mt -73.57 -49.72 24.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.439 ' HG3' HG22 ' A' ' 97' ' ' ILE . 22.1 mt-30 -64.21 -13.91 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 103' ' ' THR . 17.4 mt-30 -105.42 -68.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.5 m -34.85 118.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.47 175.74 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 44.16 -159.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' GLY . 76.5 p -33.91 133.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -133.44 103.11 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -82.31 126.1 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 31' ' ' ILE . 72.1 mt -125.67 114.89 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 90.9 mt -92.47 99.97 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.3 m -105.29 158.26 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.42 156.35 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' GLN . 21.7 ttm-85 -126.92 155.49 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 110.868 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -47.75 -43.17 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -67.43 -23.83 65.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 -54.44 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -48.82 -44.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 81' ' ' ALA . 29.1 mm -64.6 -43.31 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -65.41 -26.93 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.2 -36.35 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.621 ' SD ' HG22 ' A' ' 16' ' ' VAL . 39.0 mtp -75.23 -34.11 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.61 69.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 55.99 46.18 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 -26.95 6.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -48.6 142.6 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.58 115.86 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -85.27 141.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' NE ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -133.43 144.74 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -96.61 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.488 HD11 HH21 ' A' ' 113' ' ' ARG . 22.2 mm -91.59 101.14 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -87.9 103.54 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 73' ' ' LEU . 80.5 mt -96.93 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -105.36 97.21 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD3' HD21 ' A' ' 39' ' ' LEU . 8.9 mmm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.9 10.92 68.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.7 p90 -142.97 135.71 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -99.82 176.09 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.67 154.13 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 4.3 m -120.8 142.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.31 122.3 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD12 ' CD2' ' A' ' 57' ' ' PHE . 23.5 mt -135.05 110.21 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -56.65 119.96 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.1 t -75.39 132.38 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -39.04 -28.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' SER . 25.3 t30 -61.6 -175.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -53.26 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.706 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -48.06 90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.5 ptmt -159.54 145.4 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 93' ' ' HIS . 10.5 t -117.69 149.06 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 7.1 m-20 -108.44 121.8 45.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.853 HD11 ' HA ' ' A' ' 93' ' ' HIS . 25.3 mm -95.2 115.81 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CD2' HD12 ' A' ' 46' ' ' LEU . 82.6 m-85 -112.23 157.38 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG12 ' CG2' ' A' ' 61' ' ' VAL . 76.1 t -88.89 119.2 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 18.3 mmmt -128.34 167.91 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.06 49.53 20.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG2' HG12 ' A' ' 58' ' ' VAL . 93.2 t -74.06 94.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.21 124.74 67.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.03 4.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.0 56.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 m -164.23 166.63 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' SER . 1.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.1 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -103.29 164.76 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.46 164.88 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 62.06 26.86 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.4 m-20 -87.19 100.92 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.473 ' OE1' ' CD2' ' A' ' 80' ' ' LEU . 3.0 tm0? -67.63 105.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.15 108.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 112' ' ' ALA . 20.5 mt -74.25 -43.86 55.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -140.87 153.36 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.537 HG12 HD22 ' A' ' 109' ' ' LEU . 73.1 mt -130.17 108.82 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.679 HD21 HD12 ' A' ' 107' ' ' LEU . 10.0 m120 58.99 53.46 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.421 ' HB2' ' NH2' ' A' ' 108' ' ' ARG . 8.2 t-80 64.42 52.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.7 m -162.63 105.41 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.73 48.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -98.28 49.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.5 p30 -81.97 -174.99 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.667 ' HB3' HD21 ' A' ' 51' ' ' LEU . 12.0 pt20 -39.09 -29.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 88' ' ' ASP . 54.3 m-20 -58.38 -57.39 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -99.87 138.32 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 m -88.8 -174.55 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.853 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.9 p80 -63.67 -47.39 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.613 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 28.3 mp0 -49.13 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.632 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.5 mp0 -39.61 -51.18 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.458 ' CB ' HG13 ' A' ' 56' ' ' ILE . . . -47.05 -46.64 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -63.89 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -56.1 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 mt -39.03 -36.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -76.66 -63.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.87 -14.94 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.49 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.407 HG21 ' OD1' ' A' ' 83' ' ' ASN . 4.4 m -42.56 112.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -91.87 151.96 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 69.28 -162.02 51.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 105' ' ' GLY . 11.1 m -34.47 118.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.679 HD12 HD21 ' A' ' 83' ' ' ASN . 47.1 tp -115.81 104.48 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.721 ' O ' HD23 ' A' ' 109' ' ' LEU . 46.7 ttp180 -82.12 141.85 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 108' ' ' ARG . 64.1 mt -142.73 110.89 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -88.03 100.52 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.1 158.85 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.549 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -114.52 155.27 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.488 HH21 HD11 ' A' ' 29' ' ' ILE . 14.9 mtt180 -135.4 145.71 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.866 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.438 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.3 t80 -37.83 -39.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.82 -40.97 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.2 t -65.0 -52.55 55.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.682 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -49.79 -47.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 81' ' ' ALA . 35.3 mm -60.72 -49.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -59.68 -36.71 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -69.41 -34.97 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.682 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.5 mtp -77.9 -30.68 50.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.28 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 63.41 43.49 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.89 -25.01 7.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -47.19 140.46 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.63 111.55 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 28.6 mt -83.78 145.09 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -136.38 131.6 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -89.62 105.96 18.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mm -93.05 101.4 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -84.23 103.46 13.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.27 136.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -110.74 101.99 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 5.1 mmm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 2.3 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.66 5.09 90.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CE2' HD13 ' A' ' 39' ' ' LEU . 5.1 p90 -133.27 130.93 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -94.3 176.01 6.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -144.96 165.39 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 4.5 m -130.86 145.6 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -100.53 121.38 41.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.67 HD12 ' CD2' ' A' ' 57' ' ' PHE . 8.7 mt -139.05 110.53 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -53.72 136.39 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 t -90.68 129.91 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -48.34 -34.04 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -39.06 -71.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.8 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -170.15 -174.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.8 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -42.43 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' LEU . 18.5 ptmt -172.45 162.38 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 93' ' ' HIS . 13.2 t -130.96 138.34 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-20 -99.97 114.85 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 93' ' ' HIS . 45.4 mm -86.55 105.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.67 ' CD2' HD12 ' A' ' 46' ' ' LEU . 86.3 m-85 -97.84 140.66 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 61' ' ' VAL . 56.1 t -77.03 106.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -113.2 153.35 28.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.42 54.28 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG22 HG12 ' A' ' 58' ' ' VAL . 84.8 t -75.64 102.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.52 122.9 63.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.56 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.32 40.98 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 m -127.37 169.37 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.5 tt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -99.15 165.4 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.05 167.55 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 54.69 30.46 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -86.54 101.12 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.0 tt0 -63.41 109.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.563 HG21 ' CG1' ' A' ' 82' ' ' ILE . 28.4 mt -75.29 110.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.23 -45.83 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -137.47 149.96 47.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.663 HG12 HD22 ' A' ' 109' ' ' LEU . 95.1 mt -131.94 116.99 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 m120 61.26 45.14 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.1 t60 66.46 54.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m -166.16 112.37 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.21 45.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' GLN . 24.6 t0 -67.73 173.82 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' HB3' HD21 ' A' ' 51' ' ' LEU . 8.5 pt20 -34.26 -42.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -46.65 -59.31 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.422 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -90.02 133.49 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 m -90.31 -176.57 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.655 ' HB3' HG11 ' A' ' 54' ' ' VAL . 1.9 p80 -63.91 -40.07 95.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 47.0 mt-30 -59.46 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HB2' HG23 ' A' ' 91' ' ' ILE . 12.5 mt-30 -45.74 -45.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.17 61.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.1 -45.05 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 102' ' ' GLN . . . -52.12 -50.51 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -48.98 -36.61 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' A' ' 39' ' ' LEU . 24.9 mt -72.65 -59.08 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -65.42 -14.35 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' ALA . 45.6 mt-30 -114.76 47.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -154.73 108.81 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.15 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.56 -77.77 2.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.3 p -126.13 142.48 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 tp -139.01 106.5 5.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.688 ' O ' HD23 ' A' ' 109' ' ' LEU . 8.8 ttm180 -100.54 133.01 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 108' ' ' ARG . 30.8 mt -133.69 124.46 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 81' ' ' ALA . 33.1 mt -100.42 100.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 79' ' ' ILE . 19.1 m -105.02 158.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.33 165.98 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -137.07 153.14 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.9 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.7 t80 -37.12 -59.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -55.68 -31.53 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.5 t -73.4 -54.7 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.6 p -54.89 -44.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.742 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -64.72 -51.04 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -59.81 -32.43 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -74.04 -40.19 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 16' ' ' VAL . 55.5 mtp -69.96 -36.24 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 -34.4 72.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 60.74 47.96 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.12 -28.49 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -45.54 132.98 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -62.74 115.01 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 43.5 mt -86.55 141.9 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.87 122.65 23.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.33 102.56 3.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.582 HG21 ' CD1' ' A' ' 73' ' ' LEU . 21.7 mm -90.05 101.78 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 116.29 27.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.659 HD11 ' CD1' ' A' ' 73' ' ' LEU . 97.6 mt -115.13 127.53 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -89.3 99.98 12.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 7.5 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.7 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.61 11.64 72.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.5 p90 -140.99 143.01 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -100.86 175.12 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.26 150.31 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.7 m -120.65 135.53 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 120.01 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.9 mt -133.96 118.76 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.6 tmm_? -61.03 120.27 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 2.0 t -77.24 136.62 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -39.5 -35.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.85 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.822 HD21 ' HB2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -51.62 -179.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.785 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -46.76 89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' LEU . 7.3 ptpt -155.82 153.22 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 93' ' ' HIS . 10.9 t -120.94 155.32 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 69.5 m-20 -119.59 113.84 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 93' ' ' HIS . 27.5 mm -86.28 126.74 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 32.8 m-85 -119.23 147.9 43.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.646 HG11 HD21 ' A' ' 73' ' ' LEU . 86.0 t -82.35 108.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -119.49 166.03 13.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 51.09 54.48 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.54 82.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -47.05 118.86 5.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 45.71 1.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -147.92 172.34 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.163 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.659 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.5 tt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -112.73 163.78 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 58.5 tt0 -69.2 159.72 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 75.2 m-80 63.2 34.6 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HB3' HG11 ' A' ' 111' ' ' VAL . 7.0 m-20 -94.8 99.97 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.566 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -63.51 109.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.416 HG21 ' CG1' ' A' ' 82' ' ' ILE . 26.1 mt -74.14 106.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 112' ' ' ALA . 83.3 mt -74.68 -47.34 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.742 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -137.18 152.82 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 109' ' ' LEU . 87.7 mt -132.4 112.97 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.3 45.35 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 69.14 42.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.2 m -151.95 105.0 2.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.18 44.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 96' ' ' ALA . 21.6 mt -92.2 38.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -58.68 179.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.822 ' HB2' HD21 ' A' ' 51' ' ' LEU . 6.0 pt20 -44.16 -29.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 34.3 m-20 -55.68 -57.34 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -91.2 143.88 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.825 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.7 p80 -59.38 -39.44 83.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -60.81 -62.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 91' ' ' ILE . 12.3 mt-30 -44.8 -41.88 7.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -54.58 -49.8 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.96 -45.01 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -48.65 -61.36 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.4 mt -35.52 -41.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.526 HD22 HD21 ' A' ' 107' ' ' LEU . 18.7 mt -69.53 -47.43 63.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ALA . 32.0 mt-30 -69.18 -19.69 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -113.62 50.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.1 m -158.93 110.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.18 160.88 20.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.75 -61.42 3.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.0 m -143.79 137.44 28.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.9 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD21 HD22 ' A' ' 100' ' ' LEU . 48.2 tp -132.9 101.47 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 104.87 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.527 ' CD2' HG23 ' A' ' 82' ' ' ILE . 47.6 mt -107.21 119.15 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 79.5 mt -96.81 104.45 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 77' ' ' ASP . 15.7 m -104.85 166.98 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.588 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -115.76 167.6 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -144.81 153.52 41.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.405 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.8 t80 -43.14 -38.72 2.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.7 t -72.81 -51.31 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.689 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -50.23 -44.13 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 81' ' ' ALA . 34.5 mm -60.58 -53.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -55.49 -37.52 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.92 -34.15 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.689 ' SD ' HG22 ' A' ' 16' ' ' VAL . 25.0 mtp -81.89 -29.94 32.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -73.2 -34.47 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 62.84 42.41 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.27 -24.59 8.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 55.9 mtm180 -47.97 147.28 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -70.97 114.62 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 17' ' ' ILE . 53.1 mt -85.22 142.8 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -137.09 130.77 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 104.59 14.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mm -88.08 116.45 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -99.03 116.06 30.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.497 HD11 HD12 ' A' ' 73' ' ' LEU . 88.6 mt -119.35 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.88 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.679 HH11 HD21 ' A' ' 39' ' ' LEU . 3.9 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.679 HD21 HH11 ' A' ' 33' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.46 11.86 63.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 2.5 p90 -148.22 128.82 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -89.01 175.14 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.11 146.74 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.0 m -114.68 146.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.16 126.92 50.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 57' ' ' PHE . 8.9 mt -140.52 108.02 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -50.84 122.61 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 3.8 t -76.06 144.37 40.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 40.5 mt-30 -67.77 -38.15 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 71.9 m-20 -34.46 -69.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -168.72 -178.57 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.779 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -40.2 91.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' LEU . 14.9 ptmt -173.31 164.15 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.78 HG11 ' HB3' ' A' ' 93' ' ' HIS . 24.7 t -122.3 149.33 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.548 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.5 m-20 -108.78 110.59 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.966 HD11 ' HA ' ' A' ' 93' ' ' HIS . 10.6 mm -89.21 123.38 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 80.3 m-85 -119.66 160.19 22.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.596 HG21 HD21 ' A' ' 73' ' ' LEU . 99.1 t -90.75 115.76 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmtt -126.62 153.02 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.86 48.44 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.472 HG22 HG12 ' A' ' 58' ' ' VAL . 57.7 t -70.02 100.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.94 112.62 9.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.04 15.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.36 39.13 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.2 m -138.63 172.73 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 58' ' ' VAL . 2.4 tt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.868 0.366 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.33 155.77 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.76 158.24 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 63.01 31.0 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.486 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.7 m-20 -90.64 107.19 19.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.529 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 6.0 tt0 -70.56 113.37 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.654 ' O ' HD12 ' A' ' 87' ' ' LEU . 52.7 mt -74.66 108.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 112' ' ' ALA . 78.3 mt -75.41 -50.87 14.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.628 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -135.38 150.88 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.803 HG23 ' CD2' ' A' ' 109' ' ' LEU . 68.4 mt -130.04 114.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.64 46.38 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 66.1 48.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.6 m -157.54 111.39 1.84 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 143.66 51.45 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 79' ' ' ILE . 25.6 mt -92.83 29.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -54.21 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.583 ' HB3' HD21 ' A' ' 51' ' ' LEU . 2.0 pp0? -42.43 -45.14 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -44.67 -58.38 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.1 mt -91.89 135.77 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -97.51 -174.59 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.966 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.6 p80 -60.39 -47.18 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.532 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 50.9 mt-30 -50.69 -67.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.519 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.4 mp0 -40.06 -50.58 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.576 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -48.86 -47.97 42.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 mt -58.72 -48.3 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.29 -56.2 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -42.14 -35.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.617 ' HB3' HD11 ' A' ' 39' ' ' LEU . 20.1 mt -78.6 -60.42 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -58.59 -12.61 4.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' THR . 81.1 mt-30 -102.92 -64.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.456 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 m -34.52 136.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -127.84 173.59 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.96 -93.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.3 p -101.94 131.7 48.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.94 0.4 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.447 HD11 HD21 ' A' ' 109' ' ' LEU . 40.9 tp -124.93 108.06 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -97.82 126.48 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.803 ' CD2' HG23 ' A' ' 82' ' ' ILE . 38.6 mt -129.69 124.26 33.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.44 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 75.9 mt -98.03 100.33 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 79' ' ' ILE . 33.5 m -105.52 157.88 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -114.62 151.6 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 4.4 ptp180 -142.18 148.95 39.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.98 -48.34 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.91 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.5 t -75.34 -54.97 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.643 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -48.87 -43.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.574 HD11 ' HB2' ' A' ' 81' ' ' ALA . 44.1 mm -65.91 -48.05 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -61.97 -24.34 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.23 -34.04 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.643 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.6 mtp -82.1 -26.32 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.95 -34.27 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 56.37 48.41 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.3 -36.4 3.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -39.6 135.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -61.5 119.15 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.539 ' CG2' HG23 ' A' ' 110' ' ' ILE . 48.0 mt -86.97 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -131.67 156.62 45.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -111.9 108.02 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.537 HD11 HH21 ' A' ' 113' ' ' ARG . 8.0 mm -96.58 105.54 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.86 101.76 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.52 HD11 ' CD1' ' A' ' 73' ' ' LEU . 83.6 mt -96.16 135.36 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.62 107.93 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.849 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.77 1.35 83.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.437 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CD1' HG13 ' A' ' 58' ' ' VAL . 4.0 p90 -134.01 137.61 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -98.89 175.41 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.77 -179.78 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -146.79 148.62 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.461 ' CB ' ' CG ' ' A' ' 93' ' ' HIS . . . -104.15 126.98 51.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -143.67 109.6 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -46.11 116.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -62.23 168.52 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.23 13.85 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.2 -76.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.87 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.18 132.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 23.27 67.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 10.4 ptmt -162.85 149.74 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 93' ' ' HIS . 21.8 t -114.81 152.67 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 68.6 m-20 -110.15 124.9 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.863 HD11 ' HA ' ' A' ' 93' ' ' HIS . 22.7 mm -97.93 111.86 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 53.7 m-85 -107.78 148.3 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.505 HG21 HD21 ' A' ' 73' ' ' LEU . 47.8 t -80.21 118.87 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 11.7 mmmt -125.62 148.73 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.76 53.9 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.443 HG22 HG12 ' A' ' 58' ' ' VAL . 98.3 t -74.95 101.73 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -57.32 113.98 7.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.6 5.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.63 -41.84 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -50.16 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.52 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.4 tt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -99.42 165.68 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.59 173.33 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.8 m120 49.25 29.46 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' A' ' 113' ' ' ARG . 8.6 m-20 -86.61 109.38 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.85 106.25 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.9 mt -70.86 110.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.42 -46.82 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -140.73 153.78 46.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.6 mt -129.72 107.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.568 ' OD1' HD12 ' A' ' 107' ' ' LEU . 2.8 m120 62.99 54.68 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.6 t60 60.56 48.85 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.7 m -159.12 105.0 1.55 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.3 47.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' CB ' ' A' ' 96' ' ' ALA . 2.5 mt -94.82 31.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ASN . 11.2 p30 -55.51 176.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' ASP . 16.1 pt20 -35.07 -34.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . 16.4 m120 -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.427 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.3 mt -94.97 131.32 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m -84.01 -175.22 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.863 ' HA ' HD11 ' A' ' 56' ' ' ILE . 2.0 p80 -64.51 -41.65 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.44 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.8 mt-30 -54.58 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.427 ' HB2' HG23 ' A' ' 91' ' ' ILE . 22.4 mm-40 -42.31 -44.69 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.414 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -50.7 -43.56 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.7 mt -66.27 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -60.35 -57.3 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.7 mt -37.46 -31.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.749 ' HB3' HD11 ' A' ' 39' ' ' LEU . 13.6 mt -83.81 -62.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.36 -15.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' THR . 13.9 mt-30 -99.74 -68.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.2 m -37.89 127.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.0 -176.83 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 39.82 -161.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 105' ' ' GLY . 2.8 m -31.93 139.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.851 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.568 HD12 ' OD1' ' A' ' 83' ' ' ASN . 51.0 tp -134.98 104.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.3 tmm_? -87.98 135.01 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 108' ' ' ARG . 49.0 mt -134.12 120.34 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.539 HG23 ' CG2' ' A' ' 26' ' ' ILE . 96.5 mt -92.19 100.24 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.02 160.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.8 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.537 HH21 HD11 ' A' ' 29' ' ' ILE . 15.0 mmt180 -134.0 164.83 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.2 t80 -47.19 -38.31 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -71.8 -34.09 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -72.68 -45.74 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.9 p -56.93 -45.37 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 HD13 ' A' ' 26' ' ' ILE . 29.6 mm -62.1 -50.55 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -58.78 -37.35 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.51 -37.36 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.716 ' SD ' HG22 ' A' ' 16' ' ' VAL . 30.5 mtp -73.82 -30.01 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.01 -33.2 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 61.19 38.82 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 -29.06 10.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.96 139.82 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -63.57 114.78 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.608 HD13 HG22 ' A' ' 17' ' ' ILE . 20.9 mt -86.91 140.16 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.39 126.4 33.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.425 ' CD2' HG12 ' A' ' 110' ' ' ILE . 19.5 m-85 -82.34 101.65 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mm -89.76 101.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.18 104.91 17.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.406 HD11 HD12 ' A' ' 73' ' ' LEU . 37.8 mt -93.25 136.02 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.513 ' O ' HG21 ' A' ' 66' ' ' VAL . 4.8 tt0 -103.22 86.26 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 103' ' ' THR . 3.2 ttp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' CD2' ' HD2' ' A' ' 33' ' ' ARG . 1.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.94 12.68 80.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -108.11 173.11 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.2 m -141.18 149.26 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 3.0 m -118.35 144.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -104.38 120.26 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 57' ' ' PHE . 11.6 mt -133.74 109.41 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 1.9 tmm_? -56.25 128.05 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.489 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.9 t -79.71 176.1 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 43.7 tt0 -94.31 -39.86 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 26.3 m-20 -34.15 -64.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -173.21 -176.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.699 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -43.12 89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.5 ptmt -168.11 155.25 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' ' 93' ' ' HIS . 15.2 t -120.94 148.95 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -111.36 112.62 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 93' ' ' HIS . 26.1 mm -87.41 119.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 46' ' ' LEU . 69.3 m-85 -114.58 143.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.563 HG12 ' CG2' ' A' ' 61' ' ' VAL . 80.1 t -77.56 112.18 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 19.1 mmmt -121.29 152.24 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.21 54.41 3.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.563 ' CG2' HG12 ' A' ' 58' ' ' VAL . 64.1 t -80.04 103.34 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.49 128.55 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -11.87 31.82 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.8 68.69 0.54 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -158.08 150.51 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 32' ' ' GLU . 9.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CD2' HG11 ' A' ' 58' ' ' VAL . 3.0 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.365 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' HD23 ' A' ' 73' ' ' LEU . 59.8 mmtt -106.82 164.21 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -77.1 163.07 26.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 m120 58.01 40.38 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.573 ' OD2' HG21 ' A' ' 111' ' ' VAL . 7.2 m-20 -99.35 102.38 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 5.4 tt0 -64.26 99.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.496 ' HA ' HG12 ' A' ' 111' ' ' VAL . 59.7 mt -65.95 110.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.83 -49.26 14.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -134.97 151.24 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.905 HG23 ' CD2' ' A' ' 109' ' ' LEU . 67.9 mt -130.62 116.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.65 ' ND2' HG22 ' A' ' 82' ' ' ILE . 73.8 m-20 65.54 54.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 56.11 45.87 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.1 m -156.12 115.58 2.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.02 52.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -94.08 30.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' GLN . 10.6 p-10 -53.32 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -36.61 -39.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -47.87 -53.68 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -97.49 132.05 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -90.21 -175.13 4.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.736 ' HB3' HG11 ' A' ' 54' ' ' VAL . 1.9 p80 -64.75 -40.64 95.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 37.1 mt-30 -57.14 -61.57 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB2' HG23 ' A' ' 91' ' ' ILE . 14.1 mt-30 -44.32 -49.37 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.46 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.5 mt -53.88 -40.43 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.98 -65.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' ALA . 45.7 mt -35.46 -42.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 26.9 mt -64.1 -46.78 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 37.6 mt-30 -73.72 -21.25 60.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -117.65 64.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.49 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 1.9 m -152.25 105.0 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.83 173.13 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.59 -48.38 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -175.15 142.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.898 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.441 ' HA ' HG21 ' A' ' 103' ' ' THR . 35.6 tp -116.54 102.73 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.83 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 tpp85 -89.72 133.26 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.905 ' CD2' HG23 ' A' ' 82' ' ' ILE . 37.9 mt -140.09 120.9 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 28' ' ' TYR . 53.5 mt -101.21 107.7 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.573 HG21 ' OD2' ' A' ' 77' ' ' ASP . 24.2 m -108.43 159.89 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.1 163.58 12.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -141.31 153.23 45.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.3 t80 -39.57 -61.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.0 m-80 -51.71 -32.15 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' ASP . 5.3 t -72.45 -54.47 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.665 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -57.07 -42.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.657 HD11 ' HB2' ' A' ' 81' ' ' ALA . 33.0 mm -67.5 -46.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -63.81 -25.82 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -80.76 -37.68 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.665 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.3 mtp -73.09 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.16 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 63.15 42.85 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -34.75 4.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -42.28 135.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.683 0.278 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.56 114.27 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.31 141.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -135.28 114.13 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -72.19 101.65 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 mm -90.78 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' CB ' ' HE ' ' A' ' 108' ' ' ARG . 22.0 t0 -89.02 100.51 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.529 HD11 HD12 ' A' ' 73' ' ' LEU . 87.1 mt -93.07 133.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -92.08 101.45 13.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 8.8 mmm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.13 63.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 11.8 p90 -144.67 161.93 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.7 176.05 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 15.7 m -148.5 127.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.4 m -109.28 132.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -87.43 135.19 33.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 57' ' ' PHE . 16.8 mt -152.34 107.51 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' LEU . 2.3 tmm_? -34.73 128.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.422 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.2 t -76.28 146.18 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -82.59 19.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.76 -73.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.842 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -172.95 143.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.93 78.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' CG ' ' HB3' ' A' ' 48' ' ' SER . 8.3 ptmm? -176.34 162.18 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 93' ' ' HIS . 39.8 t -118.64 154.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 54' ' ' VAL . 37.6 m-20 -115.14 116.28 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 93' ' ' HIS . 29.8 mm -86.64 132.38 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 84.1 m-85 -124.35 132.24 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG12 ' CG2' ' A' ' 61' ' ' VAL . 46.7 t -70.21 115.27 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 13.2 mmmt -115.84 168.72 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 41.85 54.85 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.528 ' CG2' HG12 ' A' ' 58' ' ' VAL . 56.4 t -73.86 91.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -42.78 127.95 3.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.55 69.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.02 42.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.529 HD12 HD11 ' A' ' 31' ' ' ILE . 2.4 tt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' N ' HD23 ' A' ' 73' ' ' LEU . 27.0 mmmt -107.9 168.17 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 32.1 tt0 -81.68 160.3 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 85.2 m-20 62.95 27.41 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -88.06 102.84 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.565 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -66.26 110.35 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 111' ' ' VAL . 39.2 mt -74.95 114.49 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 112' ' ' ALA . 75.8 mt -83.67 -47.81 10.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -132.6 145.91 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.741 HG23 ' CD2' ' A' ' 109' ' ' LEU . 73.9 mt -126.84 117.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.539 HD21 HG21 ' A' ' 103' ' ' THR . 13.9 m120 62.52 51.01 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 59.86 46.75 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 m -155.41 116.29 2.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.03 46.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 79' ' ' ILE . 31.2 mt -93.73 33.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -58.25 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.42 -25.9 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -60.32 -57.52 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -99.08 135.4 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.46 -174.94 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.678 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.9 p80 -62.19 -45.26 94.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.535 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 68.5 mt-30 -53.79 -61.06 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.01 -42.6 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.16 67.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.7 mt -63.06 -46.22 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -52.45 -59.45 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.6 mt -38.26 -34.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.672 ' HB3' HD11 ' A' ' 39' ' ' LEU . 23.6 mt -79.65 -64.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -54.24 -14.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -100.6 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.539 HG21 HD21 ' A' ' 83' ' ' ASN . 17.7 m -40.29 133.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -130.87 174.99 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.21 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -130.79 148.84 52.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 100' ' ' LEU . 29.6 tp -134.58 132.19 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HE ' ' CB ' ' A' ' 30' ' ' ASP . 15.3 tpp85 -125.35 99.25 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.741 ' CD2' HG23 ' A' ' 82' ' ' ILE . 42.5 mt -105.13 126.96 52.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 63.4 mt -105.27 103.06 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 79' ' ' ILE . 24.3 m -105.0 155.96 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -104.97 166.34 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -142.96 139.75 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HA ' HG12 ' A' ' 16' ' ' VAL . 19.3 t80 -62.09 -40.32 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -72.38 -23.91 61.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -84.24 -45.11 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 17' ' ' ILE . 4.9 p -60.58 -48.33 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.531 HG22 HD13 ' A' ' 26' ' ' ILE . 43.8 mm -61.09 -46.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -59.69 -28.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -76.49 -44.92 33.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.491 ' SD ' HG22 ' A' ' 16' ' ' VAL . 11.3 mtp -65.46 -38.59 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.12 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 62.19 43.68 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 96.47 -39.81 2.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 58.8 mtm180 -37.9 137.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.299 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.09 116.97 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.531 HD13 HG22 ' A' ' 17' ' ' ILE . 39.9 mt -88.86 142.32 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -134.45 168.33 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -116.75 118.79 33.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.819 HD11 HH22 ' A' ' 113' ' ' ARG . 16.8 mm -110.32 101.08 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.35 101.7 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 73' ' ' LEU . 97.0 mt -94.94 129.59 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -86.68 96.52 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.618 HH11 HD21 ' A' ' 39' ' ' LEU . 3.2 mmm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.832 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.618 HD21 HH11 ' A' ' 33' ' ' ARG . 1.5 mt . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.19 14.69 71.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.5 p90 -144.8 126.97 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -85.45 172.21 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 35.4 m -147.05 148.62 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.508 HG21 ' HE3' ' A' ' 59' ' ' LYS . 27.8 m -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.72 124.1 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.596 ' C ' HG13 ' A' ' 54' ' ' VAL . 7.2 mt -142.8 109.15 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -55.59 115.46 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -67.99 146.52 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -79.19 44.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -110.4 -75.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -174.22 109.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 34.33 68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -160.28 154.95 24.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 93' ' ' HIS . 42.0 t -128.9 144.43 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -104.99 117.25 33.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.454 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 40.0 mm -86.38 110.31 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 87.6 m-85 -98.0 140.24 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG11 ' CD2' ' A' ' 73' ' ' LEU . 94.6 t -82.09 104.43 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.508 ' HE3' HG21 ' A' ' 44' ' ' VAL . 27.7 mttt -115.87 150.09 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 69.44 46.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 58' ' ' VAL . 98.7 t -71.67 94.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -53.64 120.63 23.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -16.06 37.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.28 39.94 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p -129.79 166.66 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.698 ' CD2' HG11 ' A' ' 58' ' ' VAL . 1.7 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.468 ' O ' HD23 ' A' ' 73' ' ' LEU . 11.3 mptt -113.58 165.35 12.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -82.64 160.43 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.86 25.61 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.511 ' HB3' HG11 ' A' ' 111' ' ' VAL . 82.0 m-20 -85.32 99.92 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -64.16 100.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.596 HG21 HG12 ' A' ' 82' ' ' ILE . 43.0 mt -65.9 103.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 20' ' ' MET . 77.6 mt -72.14 -43.13 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.67 152.89 50.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.596 HG12 HG21 ' A' ' 79' ' ' ILE . 66.6 mt -132.11 109.0 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.757 ' OD1' HD12 ' A' ' 107' ' ' LEU . 72.9 m-20 66.22 48.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 65.24 52.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.5 m -164.96 111.22 0.83 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 141.98 46.6 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 96' ' ' ALA . 27.3 mt -87.46 34.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -57.63 179.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' ASN . 8.9 pt20 -41.84 -43.1 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 7.1 m-20 -44.11 -50.47 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.4 mt -101.79 141.81 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -96.99 179.05 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.597 ' HB3' HG11 ' A' ' 54' ' ' VAL . 2.0 p80 -59.35 -40.67 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 72.4 mt-30 -57.1 -66.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 91' ' ' ILE . 8.3 mm-40 -40.09 -47.62 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -48.91 -52.46 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' A' ' 100' ' ' LEU . 23.0 mt -57.02 -40.06 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.73 -64.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.4 mt -34.67 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.534 HD23 HD11 ' A' ' 107' ' ' LEU . 19.1 mt -75.53 -52.9 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 36.0 mt-30 -67.37 -17.86 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.36 49.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.416 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 16.0 m -155.89 112.66 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.08 155.71 25.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.85 -74.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 m -134.54 137.95 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.757 HD12 ' OD1' ' A' ' 83' ' ' ASN . 37.6 tp -134.88 103.3 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -88.81 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 82' ' ' ILE . 57.2 mt -126.75 114.3 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.65 100.25 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.511 HG11 ' HB3' ' A' ' 77' ' ' ASP . 26.9 m -105.2 162.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.52 160.95 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.819 HH22 HD11 ' A' ' 29' ' ' ILE . 28.9 mtt-85 -143.76 168.76 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.908 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.2 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -38.16 -53.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -59.2 -33.96 71.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.0 t -73.36 -57.28 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.717 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.7 p -48.98 -46.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . 41.2 mm -64.95 -49.14 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -61.76 -26.61 68.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 29.9 mt-30 -80.28 -37.68 32.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.717 ' SD ' HG22 ' A' ' 16' ' ' VAL . 33.7 mtp -75.77 -33.83 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.96 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.7 mm-40 57.83 49.28 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.66 -31.19 3.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -42.64 136.48 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -62.63 117.07 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 110' ' ' ILE . 51.0 mt -88.34 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -136.0 132.59 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.47 102.62 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.689 HG21 HD12 ' A' ' 73' ' ' LEU . 33.4 mm -89.19 103.26 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.89 103.64 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.18 130.85 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' O ' HG21 ' A' ' 66' ' ' VAL . 9.5 tp10 -91.84 104.15 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 103' ' ' THR . 7.4 mmm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD22 HD22 ' A' ' 107' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.7 16.3 66.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 4.6 p90 -149.12 154.19 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -109.39 175.84 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.35 147.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.529 HG13 ' HG3' ' A' ' 59' ' ' LYS . 29.6 m -117.08 134.52 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' HD23 ' A' ' 46' ' ' LEU . . . -90.8 127.22 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 45' ' ' ALA . 23.7 mt -146.22 112.57 5.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -47.44 124.79 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 t -71.25 174.23 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.87 -0.51 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -73.55 -75.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.957 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -175.54 149.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.673 ' N ' HD22 ' A' ' 51' ' ' LEU . . . 4.77 78.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -173.25 160.53 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' C ' ' A' ' 46' ' ' LEU . 21.3 t -124.56 142.55 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 32.5 m-20 -101.32 119.01 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 93' ' ' HIS . 18.4 mm -88.49 121.67 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 14.7 m-85 -113.69 145.37 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 73' ' ' LEU . 54.0 t -79.51 125.27 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.529 ' HG3' HG13 ' A' ' 44' ' ' VAL . 19.2 mmtt -135.17 164.43 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 48.78 54.7 10.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.625 HG23 ' OE2' ' A' ' 75' ' ' GLU . 61.7 t -75.58 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' VAL . 59.6 mt-30 -38.06 116.47 0.87 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.737 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -3.96 13.05 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.92 45.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -143.24 -179.09 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 32' ' ' GLU . 11.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 29' ' ' ILE . 2.1 tt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -121.11 155.21 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.625 ' OE2' HG23 ' A' ' 61' ' ' VAL . 2.3 tp10 -56.67 151.1 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 65.83 53.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 58' ' ' VAL . 13.1 m-20 -111.65 104.65 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.563 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.0 tt0 -69.05 99.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.523 HG21 ' CG1' ' A' ' 82' ' ' ILE . 37.6 mt -65.4 117.65 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.58 -43.45 14.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.24 150.25 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.576 HG12 HD22 ' A' ' 109' ' ' LEU . 45.6 mt -132.11 118.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.543 ' ND2' HG22 ' A' ' 82' ' ' ILE . 46.4 m-20 63.64 49.23 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 60.4 52.74 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 m -162.37 114.7 1.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.65 51.75 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 45.07 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -70.67 179.91 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -37.6 -37.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.13 -60.18 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.9 mt -93.28 136.95 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -92.61 -174.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.711 ' HA ' HD11 ' A' ' 56' ' ' ILE . 2.0 p80 -62.83 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.528 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 56.5 mt-30 -51.7 -65.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.465 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.1 mm-40 -44.29 -45.8 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.13 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.1 mt -65.33 -43.9 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.76 -55.79 26.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -43.96 -47.65 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 39' ' ' LEU . 10.9 mt -68.9 -55.29 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -59.31 -13.75 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -124.11 65.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.552 HG21 HD13 ' A' ' 107' ' ' LEU . 2.9 m -131.27 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 165.39 27.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.2 p -131.35 135.92 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.685 HD11 HD21 ' A' ' 109' ' ' LEU . 48.2 tp -112.29 101.34 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.641 ' O ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -92.67 126.07 37.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 107' ' ' LEU . 46.0 mt -131.8 133.26 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 26' ' ' ILE . 83.4 mt -109.56 100.57 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.0 157.28 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.53 163.08 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -142.72 136.55 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 -179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.09 -31.29 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -77.97 -29.29 49.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -79.18 -46.04 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.658 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.4 p -53.89 -50.05 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.698 HD11 ' HB2' ' A' ' 81' ' ' ALA . 39.2 mm -61.29 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.02 -34.38 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -72.13 -35.28 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.658 ' SD ' HG22 ' A' ' 16' ' ' VAL . 23.3 mtp -75.53 -34.55 60.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.97 71.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 57.41 48.28 14.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.45 -34.54 4.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -46.01 134.1 8.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -63.25 114.49 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 17' ' ' ILE . 11.1 mt -82.01 144.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -137.56 131.22 31.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -87.84 106.88 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mm -87.77 130.58 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.17 107.4 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 73' ' ' LEU . 65.7 mt -107.41 135.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -99.08 92.17 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' A' ' 39' ' ' LEU . 6.0 mmm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.6 11.31 72.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.476 ' HD2' HG13 ' A' ' 58' ' ' VAL . 5.8 p90 -149.59 147.53 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -110.53 171.66 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.486 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 22.2 m -142.44 149.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -110.46 162.49 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.49 127.38 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.7 mt -146.61 117.48 7.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.47 121.61 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -76.9 136.28 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -40.24 -36.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' LEU . 10.4 m120 -57.97 -175.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 55.0 tp -40.86 162.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' N ' ' HG ' ' A' ' 51' ' ' LEU . . . -47.96 87.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.3 ptpp? -146.04 160.78 41.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.662 HG11 ' HB3' ' A' ' 93' ' ' HIS . 13.4 t -119.08 141.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.582 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 40.8 m-20 -106.35 113.92 27.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 93' ' ' HIS . 17.3 mm -86.07 118.22 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 61.3 m-85 -115.07 136.28 53.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.476 HG13 ' HD2' ' A' ' 41' ' ' PHE . 85.5 t -71.01 116.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.08 163.97 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t70 52.5 54.61 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLN . 90.9 t -69.48 77.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' VAL . 16.5 mt-30 -34.41 112.2 0.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -13.06 34.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.2 29.02 6.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -126.38 171.06 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 31' ' ' ILE . 2.2 tt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 17.9 mmmt -118.52 170.86 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -74.54 163.21 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 53.26 52.21 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.542 ' HB3' HG11 ' A' ' 111' ' ' VAL . 19.3 m-20 -108.53 110.27 21.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -71.23 117.32 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 82' ' ' ILE . 2.6 mm -74.59 101.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 112' ' ' ALA . 67.9 mt -75.69 -34.6 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.849 ' HB3' HD12 ' A' ' 110' ' ' ILE . . . -155.74 149.0 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.675 HG23 HD23 ' A' ' 109' ' ' LEU . 72.2 mt -130.15 123.06 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.4 m120 54.29 49.9 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 62.1 54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 m -166.13 109.55 0.72 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.183 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.91 55.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.596 HD13 ' CB ' ' A' ' 96' ' ' ALA . 17.5 mt -94.91 40.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' GLN . 25.4 t0 -58.34 173.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' ASP . 8.8 pt20 -37.37 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.5 mt -86.97 138.14 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 m -87.73 -174.94 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.662 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.0 p-80 -67.47 -40.03 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.417 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 11.3 mm-40 -57.98 -64.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.475 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.5 mt-30 -40.16 -45.96 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.596 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -53.35 -49.32 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.9 mt -61.72 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.88 -61.76 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' ALA . 39.1 mt -36.44 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.796 HD23 HD11 ' A' ' 107' ' ' LEU . 27.8 mt -80.44 -54.24 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.81 -12.35 61.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.7 30.6 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.3 m -143.27 105.16 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.62 175.17 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.76 -82.71 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 m -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 100' ' ' LEU . 59.8 tp -120.19 105.95 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' O ' HD23 ' A' ' 109' ' ' LEU . 4.0 ttm105 -89.36 135.88 33.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.675 HD23 HG23 ' A' ' 82' ' ' ILE . 22.9 mt -138.26 165.91 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.849 HD12 ' HB3' ' A' ' 81' ' ' ALA . 67.7 mt -140.15 115.55 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 77' ' ' ASP . 16.5 m -123.64 154.82 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -105.41 164.43 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -142.7 140.79 31.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 24.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -39.36 -37.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.65 -38.26 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -68.82 -49.67 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.628 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.2 p -54.21 -48.14 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' ' 81' ' ' ALA . 36.2 mm -62.95 -48.06 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -61.14 -29.6 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -76.43 -41.06 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.628 ' SD ' HG22 ' A' ' 16' ' ' VAL . 23.4 mtp -69.43 -27.76 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.3 55.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 65.36 42.93 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 94.18 -37.37 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' GLY . 59.0 mtm180 -36.62 137.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -64.71 115.32 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.7 mt -87.4 140.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -131.64 118.57 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -69.7 102.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.518 HG21 HD12 ' A' ' 73' ' ' LEU . 12.2 mm -88.96 105.68 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 5.8 p-10 -91.01 100.44 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.647 HD11 HD12 ' A' ' 73' ' ' LEU . 96.7 mt -97.42 130.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.09 99.37 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.852 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 100' ' ' LEU . 2.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.43 8.11 36.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.2 p90 -138.9 141.48 38.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 m -94.71 171.72 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.488 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.4 m -141.88 153.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.5 m -122.92 147.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -101.18 132.59 46.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 57' ' ' PHE . 46.1 mt -147.02 109.07 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.7 tmm_? -49.29 122.48 6.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -74.43 -180.0 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -102.84 -35.62 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -38.05 -67.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.961 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -167.11 172.49 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.961 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -33.61 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 51' ' ' LEU . 10.1 ptmm? -171.07 166.12 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 93' ' ' HIS . 22.8 t -121.48 158.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 54' ' ' VAL . 66.8 m-20 -117.17 114.07 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.891 ' O ' HD12 ' A' ' 79' ' ' ILE . 14.4 mm -88.22 112.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 46' ' ' LEU . 97.2 m-85 -104.46 141.45 36.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 73' ' ' LEU . 48.7 t -78.22 107.84 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mmtp -115.73 151.74 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.39 54.65 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.32 95.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -39.77 116.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.14 53.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 m -151.44 172.62 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 58' ' ' VAL . 2.3 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -107.16 151.73 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 156.87 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 60.55 33.92 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -96.87 122.56 39.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.543 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 14.0 tt0 -82.77 121.34 26.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.891 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.5 mp -82.01 108.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -76.49 -33.23 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -149.47 147.35 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.695 HG12 HD22 ' A' ' 109' ' ' LEU . 33.1 mt -126.22 114.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 63.22 47.77 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.0 t60 64.06 54.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 35.4 m -162.9 109.29 1.04 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.4 Cg_endo -69.69 142.56 48.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 96' ' ' ALA . 23.4 mt -90.27 38.8 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ASN . 14.5 p-10 -57.43 176.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.738 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.1 pt20 -41.09 -24.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 5.1 m120 -61.71 -57.32 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.2 mt -92.99 135.84 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.3 m -91.85 178.58 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.544 ' HB3' HG21 ' A' ' 54' ' ' VAL . 3.1 p-80 -59.07 -40.76 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 30.0 mt-30 -56.72 -66.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB2' HG23 ' A' ' 91' ' ' ILE . 36.7 mt-30 -41.72 -43.36 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 87' ' ' LEU . . . -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.08 -38.13 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 102' ' ' GLN . . . -59.97 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.8 mt -38.23 -35.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' A' ' 39' ' ' LEU . 63.3 mt -71.21 -64.2 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.33 -6.52 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 103' ' ' THR . 3.5 mt-30 -86.47 -75.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.527 HG21 HD13 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -32.02 147.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 104' ' ' THR . 19.1 m -125.91 14.22 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -152.64 -147.85 4.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 105' ' ' GLY . 18.7 p -37.0 118.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 103' ' ' THR . 52.7 tp -124.07 119.17 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -113.25 127.22 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 82' ' ' ILE . 42.9 mt -123.88 110.55 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.13 103.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -106.36 161.16 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -128.62 159.47 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -45.03 -35.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.4 -30.63 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.2 t -78.19 -49.45 13.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.612 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.9 p -54.02 -44.99 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 81' ' ' ALA . 33.0 mm -64.19 -48.11 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -61.44 -31.25 71.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -75.04 -37.2 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.612 ' SD ' HG22 ' A' ' 16' ' ' VAL . 44.3 mtp -74.73 -34.83 62.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 64.22 38.48 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -28.95 9.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -41.36 140.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.7 tt0 -62.67 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.71 142.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -137.97 154.97 49.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.8 101.41 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.18 109.3 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -85.11 115.75 23.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.974 HD11 HD12 ' A' ' 73' ' ' LEU . 41.3 mt -112.27 135.45 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.81 99.41 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.47 HH11 HD21 ' A' ' 39' ' ' LEU . 8.5 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD21 HH11 ' A' ' 33' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.12 12.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.613 ' HE2' HD13 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -156.01 142.57 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -108.02 175.9 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.05 152.59 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.515 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 18.8 m -124.23 129.56 74.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 130.34 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.6 mt -145.99 107.32 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 1.9 tmm_? -44.6 115.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.2 t -72.91 123.17 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' SER . 29.8 mt-30 -33.69 -34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' SER . 72.4 m-20 -57.12 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.844 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -51.96 174.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.844 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.01 89.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' LEU . 5.2 ptmm? -164.98 146.33 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 93' ' ' HIS . 29.9 t -115.23 152.97 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 55.8 m-20 -109.96 119.38 39.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -92.24 116.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 85.6 m-85 -113.22 137.81 50.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 73' ' ' LEU . 60.5 t -78.92 114.12 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmmt -118.26 177.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.12 45.37 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 62' ' ' GLN . 80.2 t -67.42 85.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 61' ' ' VAL . 10.0 mm100 -34.39 116.46 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.58 5.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.56 49.76 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -143.95 179.22 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.945 0.402 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.974 HD12 HD11 ' A' ' 31' ' ' ILE . 2.5 tt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' O ' HD23 ' A' ' 73' ' ' LEU . 3.1 mmmp? -88.48 157.73 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.11 153.5 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 58.64 42.47 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.6 113.77 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.481 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.7 tt0 -71.65 115.26 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' O ' HD12 ' A' ' 87' ' ' LEU . 21.7 mt -79.13 114.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.1 -43.38 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -142.18 153.0 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.71 HG12 HD22 ' A' ' 109' ' ' LEU . 73.5 mt -130.94 107.97 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.1 m120 62.77 46.7 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.8 t60 69.68 48.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 m -158.4 105.05 1.67 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.2 44.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 82' ' ' ILE . 16.6 mt -90.14 39.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 90' ' ' ASN . 28.9 t70 -64.67 173.21 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.565 ' CB ' HD21 ' A' ' 51' ' ' LEU . 4.0 pt20 -36.6 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' ASP . 3.9 m120 -54.27 -54.72 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.5 mt -98.65 142.63 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 m -94.15 -179.49 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.627 ' CE1' ' HG2' ' A' ' 94' ' ' GLN . 1.6 p80 -62.23 -41.88 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.627 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 5.3 mm-40 -56.24 -64.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.538 ' HB2' HG23 ' A' ' 91' ' ' ILE . 3.5 mp0 -44.43 -47.4 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.98 42.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 mt -59.89 -46.4 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.13 -58.17 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -37.94 -38.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.91 -55.89 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.2 -15.43 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 103' ' ' THR . 22.0 mt-30 -101.05 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.444 HG21 ' CD1' ' A' ' 107' ' ' LEU . 5.1 m -36.58 106.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 105' ' ' GLY . 14.5 m -87.92 160.18 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 59.07 -158.69 20.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.535 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 105' ' ' GLY . 1.7 m -32.24 146.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 103' ' ' THR . 55.8 tp -139.75 106.09 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.66 113.61 25.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.71 HD22 HG12 ' A' ' 82' ' ' ILE . 81.0 mt -116.82 117.75 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 81' ' ' ALA . 74.4 mt -87.42 101.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -107.68 154.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 162.38 13.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLN . 16.3 ttm-85 -132.94 153.13 51.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -43.12 -48.68 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -62.43 -29.5 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.3 t -76.95 -56.16 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -48.04 -45.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.441 ' CG2' HD13 ' A' ' 26' ' ' ILE . 32.1 mm -62.87 -50.51 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -59.82 -31.33 69.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.95 -37.92 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.716 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.7 mtp -73.93 -37.32 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -39.03 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.7 43.12 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.4 -29.39 8.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -41.41 136.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -61.84 109.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CG2' HG23 ' A' ' 110' ' ' ILE . 42.5 mt -85.14 144.41 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -140.91 137.04 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.6 108.84 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.533 HG21 ' HG ' ' A' ' 73' ' ' LEU . 13.9 mm -95.78 101.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.55 126.71 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.478 HG23 HG22 ' A' ' 66' ' ' VAL . 87.9 mt -120.73 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG21 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -77.04 92.49 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.506 HH11 HD21 ' A' ' 39' ' ' LEU . 4.8 mmm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.506 HD21 HH11 ' A' ' 33' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.29 10.85 63.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.4 p90 -140.9 137.0 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -97.7 173.17 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.6 m -143.49 149.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -117.77 134.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.36 124.49 38.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.4 mt -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.9 tmm_? -40.64 123.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.0 t -67.64 178.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -100.59 -13.35 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.24 -72.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -176.29 144.01 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.34 80.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 19.1 ptmt -166.96 171.91 10.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.667 HG11 ' HB3' ' A' ' 93' ' ' HIS . 33.0 t -128.8 145.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.1 m-20 -107.43 114.7 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 93' ' ' HIS . 17.5 mm -88.13 104.75 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 78.8 m-85 -99.68 133.64 43.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.65 HG12 HG22 ' A' ' 61' ' ' VAL . 32.5 t -72.79 108.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.3 mmmt -113.18 161.86 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 51.23 51.5 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.65 HG22 HG12 ' A' ' 58' ' ' VAL . 93.1 t -75.41 92.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -54.09 120.14 23.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.27 44.38 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' VAL . 19.5 m -144.17 144.52 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG22 HG23 ' A' ' 31' ' ' ILE . 9.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.533 ' HG ' HG21 ' A' ' 29' ' ' ILE . 3.5 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' HD23 ' A' ' 73' ' ' LEU . 4.8 mmmm -108.86 163.41 13.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.63 166.86 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 56.92 32.64 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 58' ' ' VAL . 27.6 m-20 -90.88 102.09 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.507 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.6 tt0 -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.49 HG21 ' CG1' ' A' ' 82' ' ' ILE . 79.1 mt -64.54 103.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.37 -47.53 55.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.42 153.06 51.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.608 HG23 ' CD2' ' A' ' 109' ' ' LEU . 74.2 mt -131.95 112.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.585 ' ND2' HG22 ' A' ' 82' ' ' ILE . 74.4 m-20 64.18 45.22 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t60 67.3 50.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.9 m -161.12 106.71 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 144.35 53.27 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.33 43.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' ASN . 36.5 t0 -65.08 174.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 13.7 pt20 -35.44 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' ASP . 39.1 m-20 -55.59 -57.51 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.7 mt -94.67 142.39 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 m -94.69 -176.2 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.667 ' HB3' HG11 ' A' ' 54' ' ' VAL . 2.4 p80 -64.66 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.89 -66.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.515 ' HB2' HG23 ' A' ' 91' ' ' ILE . 29.6 mt-30 -39.93 -47.16 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.02 -51.8 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -56.56 -45.08 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -51.62 -61.3 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.8 mt -35.5 -42.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 39' ' ' LEU . 10.8 mt -69.0 -46.69 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.5 mt-30 -75.17 -10.01 59.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' HG2' ' C ' ' A' ' 98' ' ' ALA . 1.0 OUTLIER -123.22 40.39 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.427 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.0 m -142.54 105.49 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -91.92 142.79 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 85.84 -174.71 48.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' GLY . 57.7 p -33.55 122.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.394 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.542 HD12 ' OD1' ' A' ' 83' ' ' ASN . 52.0 tp -112.1 103.32 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -80.42 127.22 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.608 ' CD2' HG23 ' A' ' 82' ' ' ILE . 66.0 mt -132.36 111.01 10.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.496 HG23 ' CG2' ' A' ' 26' ' ' ILE . 89.4 mt -86.53 100.32 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -105.58 158.22 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.452 ' NH2' HD11 ' A' ' 29' ' ' ILE . 11.0 mmt180 -133.56 157.67 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.891 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -130.09 145.26 51.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -146.21 162.33 38.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 126.27 2.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -148.82 172.54 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -104.06 86.53 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.18 -118.74 4.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD13 ' H ' ' A' ' 13' ' ' PHE . 14.0 mt -148.12 167.86 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.22 -127.54 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -42.39 -50.27 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.35 122.97 47.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.68 169.16 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' H ' HD13 ' A' ' 8' ' ' LEU . 10.5 t80 -50.09 -33.59 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.7 -27.09 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -82.05 -48.44 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.707 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.1 p -52.28 -47.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -65.29 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -68.39 -21.68 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -86.62 -35.65 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.707 ' SD ' HG22 ' A' ' 16' ' ' VAL . 38.3 mtp -75.32 -34.87 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.32 -37.63 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.89 44.73 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -26.09 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -48.39 141.02 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.07 119.08 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 41.0 mt -93.86 138.66 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -131.56 141.51 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -97.05 101.62 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG23 ' HG3' ' A' ' 71' ' ' GLN . 3.8 mm -89.32 101.17 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -88.15 117.54 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 1.035 HD11 HD12 ' A' ' 73' ' ' LEU . 29.2 mt -111.08 137.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -92.54 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.01 112.74 8.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.722 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.76 174.36 9.62 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -96.47 -50.72 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.4 p -99.0 16.91 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . -138.52 -164.4 9.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.93 -178.0 16.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -48.84 -33.02 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 12.14 84.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 5.9 p90 -142.48 157.88 44.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -114.11 174.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.19 151.36 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -120.71 140.73 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.97 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 mt -139.59 109.94 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 2.0 tmm_? -51.59 128.19 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.49 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 7.6 t -79.18 -176.74 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -105.69 -31.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -43.24 -58.53 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.3 tt -173.03 157.26 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . -27.17 90.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 51' ' ' LEU . 9.0 ptpt -162.03 173.85 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.734 HG11 ' HB3' ' A' ' 93' ' ' HIS . 16.0 t -130.88 132.82 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 77.2 m-20 -98.17 113.22 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 93' ' ' HIS . 18.9 mm -86.41 125.13 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 56.2 m-85 -120.96 140.29 52.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.834 HG21 HD21 ' A' ' 73' ' ' LEU . 48.0 t -77.11 114.05 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 10.4 mmmt -122.83 156.29 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.17 51.93 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.2 t -74.21 82.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 25.9 mt-30 -40.66 103.34 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' GLN . 53.5 Cg_endo -69.84 84.14 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.32 -21.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.421 ' C ' ' HG2' ' A' ' 69' ' ' ARG . 23.2 p -79.55 177.27 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 67' ' ' ALA . 7.0 p -45.97 -45.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.478 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -46.42 -31.67 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.58 -69.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 65' ' ' SER . 7.5 ptp180 -42.87 -28.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -105.67 -67.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' HG3' HG23 ' A' ' 29' ' ' ILE . 7.3 tp60 -91.63 176.29 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' NE ' HH22 ' A' ' 113' ' ' ARG . 0.0 OUTLIER -116.56 34.06 5.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.035 HD12 HD11 ' A' ' 31' ' ' ILE . 1.8 tt -58.13 122.78 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -95.12 161.34 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -78.97 159.82 27.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 59.21 37.0 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.47 ' HB3' HG11 ' A' ' 111' ' ' VAL . 27.8 m-20 -100.53 102.4 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 4.3 tt0 -61.69 111.91 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.44 HG21 ' CG1' ' A' ' 82' ' ' ILE . 12.3 mt -76.67 114.5 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.38 -44.77 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.62 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -141.19 151.87 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.522 HG12 HD22 ' A' ' 109' ' ' LEU . 74.2 mt -131.86 109.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.576 HD21 HD12 ' A' ' 107' ' ' LEU . 11.0 m120 64.51 47.11 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 66.87 47.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.9 m -159.12 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.05 49.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.86 33.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.7 t0 -58.31 174.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 4.8 pt20 -36.82 -33.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ASP . 17.3 m120 -53.52 -57.8 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.4 mt -92.29 135.4 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 -174.68 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.734 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.6 p-80 -68.42 -39.04 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.412 ' HG2' ' NE2' ' A' ' 93' ' ' HIS . 3.6 mm100 -58.75 -59.62 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.575 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.3 mt-30 -44.87 -45.71 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.65 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.06 -45.14 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.739 ' HB1' ' OE1' ' A' ' 102' ' ' GLN . . . -52.46 -61.46 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.7 mt -37.61 -34.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.66 HD23 HD11 ' A' ' 107' ' ' LEU . 19.5 mt -79.06 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -58.06 -16.44 12.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.739 ' OE1' ' HB1' ' A' ' 98' ' ' ALA . 37.2 mt-30 -97.99 -66.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' GLN . 5.3 m -36.6 117.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 105' ' ' GLY . 15.5 m -111.82 167.96 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 104' ' ' THR . . . 70.08 -80.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 m -117.83 133.41 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.824 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.66 HD11 HD23 ' A' ' 100' ' ' LEU . 19.3 tp -129.28 109.94 11.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.9 ' O ' HD23 ' A' ' 109' ' ' LEU . 35.9 ttp180 -96.07 146.43 24.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.9 HD23 ' O ' ' A' ' 108' ' ' ARG . 41.9 mt -143.32 117.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 56.4 mt -94.91 100.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 77' ' ' ASP . 34.5 m -106.29 159.28 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.3 18.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.429 HH22 ' NE ' ' A' ' 72' ' ' ARG . 8.0 mtt180 -141.01 142.83 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 41.7 tt0 -79.53 137.89 55.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.79 176.22 7.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.272 . . . . 0.0 112.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 p -95.78 148.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' THR . 17.4 p-80 -158.44 107.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' HIS . 82.3 p 35.81 36.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.416 ' HE3' ' CE1' ' A' ' 117' ' ' HIS . 17.5 mmtp -85.66 -62.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t 68.96 46.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.3 m -69.15 112.17 5.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.1 m -63.47 116.88 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -142.81 128.92 19.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.62 145.9 15.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.43 27.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.6 p -115.18 127.85 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -104.27 150.95 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -122.46 144.6 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 p -56.76 -49.18 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.58 -157.27 27.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -52.94 152.37 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.813 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -117.61 121.74 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 150.3 6.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 12' ' ' ASP . 85.3 mt -43.98 111.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.92 -107.63 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -42.17 -54.94 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.59 134.24 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -119.6 148.82 42.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' ASP . 14.1 t80 -34.13 -61.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 59.7 m-80 -53.52 -38.28 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -67.89 -56.7 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.613 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -54.17 -43.23 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 81' ' ' ALA . 28.3 mm -63.09 -49.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -58.57 -33.69 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 24.2 mm-40 -71.62 -38.95 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.613 ' SD ' HG22 ' A' ' 16' ' ' VAL . 26.3 mtp -72.25 -36.06 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.12 88.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 32.2 mm-40 62.45 46.99 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.14 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -45.59 143.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.22 116.58 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.87 144.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.85 130.2 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -85.98 102.25 13.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 72' ' ' ARG . 10.7 mm -94.01 111.48 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' OD1' ' CD ' ' A' ' 71' ' ' GLN . 7.0 p-10 -99.55 119.64 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.444 HD12 HD12 ' A' ' 109' ' ' LEU . 80.7 mt -115.6 132.34 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' O ' HG21 ' A' ' 66' ' ' VAL . 16.9 mt-10 -92.37 96.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -44.55 124.89 4.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 53.9 Cg_endo -69.75 -175.84 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.7 m -98.73 -58.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.3 p -95.43 -22.98 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . -93.6 -149.07 24.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.37 -159.69 9.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -58.95 -21.84 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.927 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.07 13.19 40.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 3.7 p90 -142.09 131.81 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -90.82 172.55 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 m -140.83 156.67 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 m -122.6 139.91 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.45 121.66 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -139.62 113.15 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -58.09 138.44 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -84.72 163.94 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -83.04 -25.85 31.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -50.57 -66.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.867 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -172.36 -174.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.867 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.4 91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.2 ptmt -171.95 148.53 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 93' ' ' HIS . 12.0 t -119.4 137.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -101.02 112.67 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.776 HD11 ' HA ' ' A' ' 93' ' ' HIS . 20.5 mm -86.48 117.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 61.4 m-85 -110.62 143.32 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG12 ' CG2' ' A' ' 61' ' ' VAL . 64.8 t -79.07 109.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 19.8 mmmt -116.2 157.91 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.8 t70 55.53 53.12 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.841 HG23 ' OE1' ' A' ' 75' ' ' GLU . 37.2 t -74.36 107.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -57.87 115.45 11.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.27 8.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.07 67.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -168.64 170.93 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 32' ' ' GLU . 8.7 p -46.41 -23.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.14 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -122.59 -59.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -38.14 -35.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.87 -68.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' CD ' ' OD1' ' A' ' 30' ' ' ASP . 7.8 tp60 -125.96 163.58 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.804 ' O ' HD12 ' A' ' 29' ' ' ILE . 7.6 tpp180 -68.12 126.26 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 29' ' ' ILE . 2.3 tt -156.4 124.16 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -108.21 168.14 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.841 ' OE1' HG23 ' A' ' 61' ' ' VAL . 1.4 tp10 -74.65 155.25 37.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 65.43 49.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.478 ' HB3' HG11 ' A' ' 111' ' ' VAL . 11.3 m-20 -106.3 99.15 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.9 tt0 -65.38 103.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.5 mt -69.53 106.16 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.37 -47.74 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -135.32 152.72 51.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 109' ' ' LEU . 86.0 mt -132.0 115.84 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.2 m120 59.84 43.47 15.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 70.35 46.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 39.9 m -154.82 106.86 2.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.2 Cg_endo -69.78 144.09 52.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' A' ' 96' ' ' ALA . 17.0 mt -93.52 48.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.3 p30 -72.28 173.64 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' HB3' HD21 ' A' ' 51' ' ' LEU . 16.4 pt20 -36.51 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -57.38 -48.8 78.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.622 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.3 mt -105.05 138.3 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -93.28 -174.8 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.776 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.6 p-80 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mt-30 -52.92 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' A' ' 91' ' ' ILE . 15.5 mp0 -39.09 -51.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.701 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -46.56 -51.38 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.11 -39.23 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.8 -65.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 40.5 mt -34.41 -37.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.643 ' HB3' HD11 ' A' ' 39' ' ' LEU . 33.1 mt -71.05 -49.21 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.8 mt-30 -74.23 -13.9 60.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 99' ' ' LEU . 5.3 pt20 -115.32 39.8 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.4 m -145.85 123.17 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.32 -177.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.87 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p -123.98 143.38 50.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 100' ' ' LEU . 66.6 tp -130.12 103.02 6.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.701 ' O ' HD23 ' A' ' 109' ' ' LEU . 6.6 ttm-85 -85.5 130.0 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 108' ' ' ARG . 56.0 mt -136.92 113.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -98.1 100.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 79' ' ' ILE . 34.4 m -105.02 157.85 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.56 163.76 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -144.82 133.8 22.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -75.96 136.99 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.59 5.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 8.1 p -98.53 151.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -129.91 172.51 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 36.1 m -70.74 127.63 33.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -157.77 151.61 24.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.5 p -112.54 172.82 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -170.26 164.32 8.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 t -118.76 161.81 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.0 m -163.93 172.56 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 179.78 73.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 175.93 7.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.4 t -142.12 133.63 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -49.48 131.86 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -97.72 169.33 9.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -137.09 136.31 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.99 167.62 42.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -126.26 -51.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -130.99 140.36 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.77 -172.63 37.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -125.35 -51.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.37 -128.4 6.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.54 -41.64 17.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -110.54 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.9 p30 -91.75 161.87 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.434 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 14.4 t80 -38.1 -55.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -57.93 -32.42 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -73.3 -55.64 6.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.719 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -51.7 -41.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 81' ' ' ALA . 34.5 mm -65.01 -51.53 65.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -58.66 -30.34 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -75.56 -37.95 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.719 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.7 mtp -75.1 -31.06 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.6 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 57.92 51.46 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 -33.69 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -42.66 137.11 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.86 115.56 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 34.5 mt -82.88 142.92 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -137.09 115.38 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -73.05 104.72 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.91 HD12 ' O ' ' A' ' 72' ' ' ARG . 24.5 mm -88.43 116.64 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.24 122.64 35.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.557 HD11 ' CD1' ' A' ' 73' ' ' LEU . 82.9 mt -123.28 128.15 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.47 100.01 12.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 8.6 mmm180 -46.29 106.89 0.61 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 53.4 Cg_endo -69.81 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' GLY . 28.4 p -61.35 -176.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' GLY . 79.4 p -39.45 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -35.85 -90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.75 169.8 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 1.1 mt -56.72 -29.5 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.79 88.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.6 p90 -138.38 137.41 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -97.85 173.88 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.15 154.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 1.9 m -120.81 140.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.62 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.413 ' C ' HG13 ' A' ' 54' ' ' VAL . 33.0 mt -130.96 120.02 22.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -55.58 121.09 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -79.45 145.55 33.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -85.7 36.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 8.4 m120 -101.39 -73.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -173.41 105.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' N ' HD13 ' A' ' 51' ' ' LEU . . . 34.37 77.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 50' ' ' ASN . 7.5 ptpp? -171.43 157.08 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 93' ' ' HIS . 25.4 t -121.11 137.26 55.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -95.21 117.74 30.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 93' ' ' HIS . 31.3 mm -88.28 117.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -110.43 141.72 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.639 HG12 HG22 ' A' ' 61' ' ' VAL . 59.7 t -80.4 106.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 14.9 mmmt -111.08 164.72 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 50.85 48.32 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.639 HG22 HG12 ' A' ' 58' ' ' VAL . 77.0 t -71.8 96.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -49.75 122.65 13.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.11 54.99 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.9 m -151.54 160.04 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 8.6 p -37.0 -37.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . . . -36.74 -59.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASP . 9.8 t0 -109.33 -57.28 2.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 ptm180 -35.97 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.0 t70 -79.33 -69.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 167.8 19.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.91 ' O ' HD12 ' A' ' 29' ' ' ILE . 27.3 ttt85 -58.23 124.87 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.557 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.5 tt -160.64 117.56 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -104.96 164.31 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -74.2 163.99 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 59.82 25.16 14.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' HB3' HG11 ' A' ' 111' ' ' VAL . 40.4 m-20 -81.62 103.01 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.25 99.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 111' ' ' VAL . 31.3 mt -69.18 110.09 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.3 -50.29 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -132.09 150.5 52.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.781 HG12 HD22 ' A' ' 109' ' ' LEU . 89.0 mt -131.99 118.67 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.489 HD21 HG21 ' A' ' 103' ' ' THR . 22.6 m120 58.51 51.49 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 60.28 54.0 4.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.6 m -166.77 109.11 0.66 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.193 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.5 48.14 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.77 34.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -56.04 178.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.1 pp0? -43.18 -31.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -56.42 -41.73 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -109.13 139.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.8 m -96.39 -174.82 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.635 ' CE1' ' HG2' ' A' ' 94' ' ' GLN . 1.9 p80 -61.08 -49.12 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.635 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 36.9 mt-30 -49.4 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 91' ' ' ILE . 15.8 mp0 -40.4 -48.77 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.42 -48.62 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.21 -40.68 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.533 ' HB1' ' OE1' ' A' ' 102' ' ' GLN . . . -52.59 -55.76 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.4 mt -43.63 -52.39 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 107' ' ' LEU . 44.9 mt -53.15 -57.49 10.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.53 -15.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.533 ' OE1' ' HB1' ' A' ' 98' ' ' ALA . 27.3 mt-30 -114.19 42.6 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.489 HG21 HD21 ' A' ' 83' ' ' ASN . 53.5 m -145.04 106.85 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.68 140.74 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -71.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.6 p -136.25 132.86 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.638 HD11 HD23 ' A' ' 100' ' ' LEU . 41.2 tp -123.0 101.77 7.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -98.33 112.34 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.781 HD22 HG12 ' A' ' 82' ' ' ILE . 42.3 mt -114.63 120.94 41.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 69.0 mt -96.25 102.43 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 79' ' ' ILE . 26.0 m -105.03 155.97 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.59 165.17 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -139.17 151.15 46.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -90.97 136.71 27.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 178.15 4.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.3 138.87 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -125.82 -53.0 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 m -135.73 124.63 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -76.76 153.03 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 t -136.48 156.72 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 t -129.97 88.53 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -131.83 133.51 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.2 p -159.08 176.62 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -127.02 169.72 18.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.01 7.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 t -149.0 176.95 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' GLY . 6.4 t -142.63 171.43 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -70.83 84.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t 50.97 41.1 26.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.47 -42.18 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -117.79 95.08 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -106.67 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 123.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.95 -58.06 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.19 -147.62 18.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -48.21 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 132.01 34.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -104.02 149.37 25.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.6 t80 -34.72 -60.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 62.4 m-80 -54.2 -36.67 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.6 t -68.77 -56.56 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.449 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -53.71 -42.99 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 81' ' ' ALA . 21.9 mm -64.87 -50.69 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -58.41 -25.79 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 13.5 mt-30 -78.68 -39.29 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.0 mtp -72.79 -34.9 67.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -77.23 -33.99 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.1 mm-40 62.23 45.28 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 -28.08 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -40.26 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.45 111.97 8.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 17' ' ' ILE . 43.5 mt -95.02 139.05 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -137.21 157.94 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -102.53 102.07 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.615 HG21 HD12 ' A' ' 73' ' ' LEU . 41.8 mm -88.06 101.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.82 102.07 13.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD11 HD12 ' A' ' 73' ' ' LEU . 96.8 mt -95.82 128.61 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.8 90.57 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.678 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 7.1 mmt180 -44.04 120.99 3.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.56 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.1 m -72.28 -64.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.5 p -112.67 -18.96 12.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 179.3 17.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.69 176.77 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.678 HD21 ' CZ ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.64 -28.16 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.53 19.49 79.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 58' ' ' VAL . 2.4 p90 -150.88 138.63 19.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -98.93 175.47 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.99 151.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.22 136.27 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.13 120.11 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.595 HD12 ' CD2' ' A' ' 57' ' ' PHE . 10.7 mt -136.56 109.44 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.8 tmm_? -46.86 126.9 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.492 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.1 t -83.43 174.03 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -101.54 -9.2 21.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -52.17 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.2 tm? -175.04 107.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 36.1 76.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -165.61 173.95 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -130.36 147.44 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -105.99 113.85 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.679 HD11 ' HA ' ' A' ' 93' ' ' HIS . 14.6 mm -86.82 117.18 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.595 ' CD2' HD12 ' A' ' 46' ' ' LEU . 90.3 m-85 -112.82 140.47 47.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.686 HG11 ' CD2' ' A' ' 73' ' ' LEU . 54.0 t -81.39 119.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -133.4 160.62 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t70 63.86 50.34 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.35 90.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -41.46 121.95 2.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.18 32.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.58 63.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -153.38 -178.61 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 67' ' ' ALA . 7.2 p -56.64 -45.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -56.99 -36.08 69.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.11 -57.12 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.8 -22.8 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' GLN . 27.0 t0 -61.56 -18.29 58.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' ASP . 16.7 pt20 34.74 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.5 mmt180 -128.05 -44.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.686 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.3 tt -84.71 128.34 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.72 167.62 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.39 153.74 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 61.52 24.91 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.1 m-20 -88.48 101.58 14.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -63.82 118.13 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.601 HG21 HG12 ' A' ' 82' ' ' ILE . 33.2 mt -78.77 102.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 21' ' ' ALA . 80.6 mt -68.89 -44.27 73.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 110' ' ' ILE . . . -137.77 153.84 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.601 HG12 HG21 ' A' ' 79' ' ' ILE . 62.0 mt -131.98 111.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 62.73 48.07 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t60 66.02 54.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.7 m -166.1 111.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 143.17 50.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.59 49.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' GLN . 11.2 t70 -72.48 175.82 5.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.3 pp0? -35.67 -37.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -50.37 -54.14 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.445 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.8 mt -95.6 135.76 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.5 m -90.53 -174.79 4.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.679 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.7 p80 -65.83 -39.92 91.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 56.8 mt-30 -57.54 -62.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.4 mm-40 -44.8 -43.35 8.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.25 -47.68 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 mt -62.96 -38.93 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.69 -61.26 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -38.86 -27.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' ALA . 42.2 mt -80.73 -66.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -60.74 -12.09 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -114.12 44.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.0 m -153.94 108.88 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 105' ' ' GLY . 11.2 m -104.43 168.01 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 104' ' ' THR . . . 75.92 -83.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.426 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -118.36 146.56 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.4 tp -138.99 105.46 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.515 ' O ' HD23 ' A' ' 109' ' ' LEU . 7.2 ttm180 -91.48 130.86 37.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.543 ' CD2' HG23 ' A' ' 82' ' ' ILE . 49.4 mt -134.69 117.63 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 81' ' ' ALA . 98.8 mt -93.66 100.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.34 162.17 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.14 167.43 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.13 153.61 46.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -101.63 130.35 24.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.4 2.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.26 . . . . 0.0 112.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.3 t -124.64 101.08 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.506 ' CE1' ' OG1' ' A' ' 118' ' ' THR . 20.0 p80 -91.92 -44.5 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.506 ' OG1' ' CE1' ' A' ' 117' ' ' HIS . 93.6 m -110.18 128.82 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 152.4 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -68.07 139.17 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -91.06 63.09 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 122' ' ' THR . 1.4 t -171.88 128.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.9 p -78.64 136.73 37.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.74 133.58 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 127' ' ' SER . 30.8 t -46.43 127.43 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 126' ' ' SER . 4.3 t -34.74 107.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.806 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -103.12 176.27 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -98.42 117.91 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -151.09 10.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -173.74 114.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -71.32 -55.49 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.38 -169.76 39.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.6 mm? -86.94 135.16 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.09 -122.71 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -46.7 -47.37 20.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -110.49 142.86 41.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.2 p30 -111.48 160.39 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 19.4 t80 -36.67 -56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -57.48 -35.45 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -70.29 -56.96 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.672 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -51.29 -44.43 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 26' ' ' ILE . 38.4 mm -65.19 -47.6 86.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.21 -26.76 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.7 -36.73 37.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.672 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.1 mtp -76.11 -31.86 58.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -75.34 -42.64 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 63.26 48.84 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -39.32 3.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 58.4 mtm180 -38.81 138.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -68.07 116.67 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.555 ' CG2' HG23 ' A' ' 110' ' ' ILE . 31.8 mt -86.21 141.62 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -132.02 136.57 47.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -86.0 106.43 17.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 73' ' ' LEU . 16.2 mm -88.03 115.15 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -98.83 108.08 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.6 mt -105.97 133.32 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.809 ' O ' HG21 ' A' ' 66' ' ' VAL . 4.9 tt0 -93.33 95.95 9.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.457 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -54.88 114.06 6.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.73 -163.33 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -77.17 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLY . 40.4 p -113.42 -57.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -32.49 130.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -63.93 156.58 43.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.6 mt -34.86 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 91.17 6.27 66.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CD1' HG13 ' A' ' 58' ' ' VAL . 3.0 p90 -138.92 131.84 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 m -93.55 176.02 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 6.3 m -142.37 152.43 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 59' ' ' LYS . 6.6 m -119.34 149.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -108.02 126.72 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -137.78 107.58 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 48' ' ' SER . 5.2 tmm_? -51.05 128.73 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -89.42 151.37 22.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 50' ' ' ASN . 7.0 pt20 -76.25 -36.34 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 4.3 m120 -34.39 -61.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 52' ' ' GLY . 3.4 tt -175.23 159.22 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.635 ' N ' HD23 ' A' ' 51' ' ' LEU . . . -27.89 88.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.1 ptmm? -168.39 160.69 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 93' ' ' HIS . 12.6 t -122.75 145.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.4 112.23 24.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 93' ' ' HIS . 20.4 mm -86.3 123.11 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 78' ' ' GLN . 90.4 m-85 -115.1 140.48 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 41' ' ' PHE . 87.8 t -73.33 110.69 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 44' ' ' VAL . 9.2 mmmt -122.94 151.58 41.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 69.26 52.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.05 90.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.49 123.76 85.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.696 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.66 41.52 2.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.414 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 21.3 m -142.65 174.12 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.809 HG21 ' O ' ' A' ' 32' ' ' GLU . 10.1 p -56.59 -47.7 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.549 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -46.77 -27.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -83.67 -58.45 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -24.67 47.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.32 172.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.45 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -146.67 131.86 18.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 29' ' ' ILE . 3.4 tt -162.04 123.89 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -113.81 156.53 23.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 17.7 tt0 -65.36 171.92 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 76' ' ' ASN . 1.9 p-10 47.64 40.29 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.565 ' HB3' HG11 ' A' ' 111' ' ' VAL . 30.8 m-20 -93.63 106.57 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 57' ' ' PHE . 4.2 tt0 -64.4 94.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 109' ' ' LEU . 17.2 mt -64.87 106.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.94 -50.52 22.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.3 153.57 51.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.549 HG12 HD22 ' A' ' 109' ' ' LEU . 64.5 mt -132.07 119.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.8 m120 58.98 44.68 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 67.48 54.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 93.2 m -164.77 111.28 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.7 Cg_endo -69.78 144.51 54.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 mt -97.23 44.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' ASN . 7.5 p-10 -72.41 -175.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -41.13 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' ASP . 92.2 m-20 -61.01 -56.0 26.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 95' ' ' GLN . 4.0 mt -102.34 136.87 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m -87.67 -175.46 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.825 ' HA ' HD11 ' A' ' 56' ' ' ILE . 2.1 p80 -65.23 -40.5 94.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 9.5 mm-40 -56.85 -65.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.539 ' HB2' HG23 ' A' ' 91' ' ' ILE . 8.5 mm-40 -41.83 -44.92 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.66 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.05 -41.31 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -57.47 -61.21 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.9 mt -37.92 -44.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HB3' HD11 ' A' ' 39' ' ' LEU . 16.5 mt -66.62 -46.55 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -71.39 -13.19 61.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -119.73 42.48 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.613 HG21 HD13 ' A' ' 107' ' ' LEU . 3.1 m -103.59 147.87 26.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 106' ' ' SER . 1.1 p -131.6 172.12 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.94 -89.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 t -120.42 152.97 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 109' ' ' LEU . 42.7 tp -122.08 104.47 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.797 ' O ' HD23 ' A' ' 109' ' ' LEU . 7.3 ttm180 -96.92 130.32 44.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 108' ' ' ARG . 30.0 mt -133.37 122.47 23.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG23 ' CG2' ' A' ' 26' ' ' ILE . 87.8 mt -97.06 102.95 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 77' ' ' ASP . 32.6 m -105.07 159.86 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.32 161.06 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -142.17 157.3 45.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -80.79 137.19 50.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 179.8 3.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -142.53 140.78 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -107.39 136.01 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.6 p -56.52 118.13 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -128.97 173.65 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 t -81.24 146.18 30.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.0 t -149.41 168.61 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.1 t -109.17 157.58 18.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -108.4 168.82 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.26 69.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 126' ' ' SER . 53.7 Cg_endo -69.85 -48.64 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 125' ' ' PRO . 54.0 p 34.76 41.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.3 t -142.67 146.68 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -148.55 141.06 24.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -160.22 126.03 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.63 111.08 3.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -131.97 161.34 33.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -67.84 137.97 55.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.36 167.93 0.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.3 mm? -63.64 159.11 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.57 -129.66 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.57 -44.05 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -105.65 164.32 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.1 p-10 -128.69 145.6 51.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.8 -32.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -76.08 -34.85 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ASP . 8.4 t -73.31 -53.58 10.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.0 -45.45 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 81' ' ' ALA . 29.7 mm -65.25 -48.86 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -61.05 -18.95 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.18 -34.55 20.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.9 mtp -80.02 -33.11 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.64 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 53.52 38.53 28.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.22 -25.36 14.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -49.48 141.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 118.22 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -84.85 145.49 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -138.74 126.7 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -86.98 101.73 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.972 HD12 ' O ' ' A' ' 72' ' ' ARG . 7.7 mm -89.95 106.74 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -89.98 102.84 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.779 HD11 ' CD1' ' A' ' 73' ' ' LEU . 47.7 mt -98.29 128.76 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ARG . 5.5 mt-10 -77.92 78.53 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' NH1' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -38.09 110.39 0.53 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.687 . . . . 0.0 110.877 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.94 24.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -44.35 -56.09 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -61.35 -22.04 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.088 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.56 -169.3 40.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . 86.58 57.49 2.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.4 mt -35.48 -31.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 89.42 4.23 74.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.9 p90 -134.89 135.96 42.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -94.5 172.91 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.4 141.38 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m -110.75 133.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -93.46 126.73 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD12 ' CD1' ' A' ' 57' ' ' PHE . 14.3 mt -139.32 108.61 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 48' ' ' SER . 3.8 tmm_? -51.45 124.12 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.467 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -76.29 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -90.46 -35.97 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -39.04 -59.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -174.19 -176.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.831 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -46.15 89.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.5 ptmt -165.92 164.05 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.686 HG11 ' HB3' ' A' ' 93' ' ' HIS . 21.5 t -123.2 145.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -105.36 109.46 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' A' ' 93' ' ' HIS . 12.1 mm -87.5 120.75 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 78' ' ' GLN . 82.1 m-85 -116.18 155.18 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.5 t -83.16 113.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 25.1 mmtt -131.25 144.65 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 75.03 49.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.2 94.64 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -62.48 133.52 94.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.08 37.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.5 60.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.483 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 1.3 p -162.03 162.82 28.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' H ' ' A' ' 67' ' ' ALA . 2.5 m -38.52 -59.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.677 ' H ' HG23 ' A' ' 66' ' ' VAL . . . -38.94 -37.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -83.85 -52.71 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 1.4 ptt85 -84.19 24.52 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 3.3 t70 -95.85 164.95 12.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 2.1 tp-100 -36.67 -56.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.972 ' O ' HD12 ' A' ' 29' ' ' ILE . 10.0 ttt180 -174.74 120.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.779 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.4 tt -155.37 119.53 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -109.83 161.03 15.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 9.6 tt0 -66.32 174.92 2.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 2.0 p-10 45.81 44.19 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 58' ' ' VAL . 10.2 m-20 -106.67 106.19 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.54 ' OE1' HD23 ' A' ' 80' ' ' LEU . 1.7 tm0? -69.25 117.31 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.58 106.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.54 HD23 ' OE1' ' A' ' 78' ' ' GLN . 46.9 mt -72.57 -43.02 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.537 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -141.83 153.81 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.567 HG12 HD22 ' A' ' 109' ' ' LEU . 62.4 mt -131.65 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.27 48.62 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.1 t60 64.62 51.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -160.98 114.36 1.31 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.36 50.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 96' ' ' ALA . 2.2 mt -98.75 41.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLN . 18.3 p-10 -76.31 -175.23 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.58 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.3 pt20 -34.52 -42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 5.9 m-20 -49.41 -53.47 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.1 mt -100.33 142.79 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -100.59 -175.17 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.89 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.6 p80 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 46.5 mt-30 -55.5 -56.33 21.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.46 ' HB2' HG23 ' A' ' 91' ' ' ILE . 32.6 mt-30 -49.98 -49.65 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -48.34 -45.23 35.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 100' ' ' LEU . 19.4 mt -62.49 -45.72 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.36 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.5 mt -39.12 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB3' HD11 ' A' ' 39' ' ' LEU . 6.5 mt -85.28 -63.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.9 -11.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' THR . 17.1 mt-30 -101.77 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' GLN . 2.3 m -33.32 135.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -125.62 147.98 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.32 -89.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -109.06 135.81 49.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 tp -123.32 103.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.605 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.8 ttm105 -97.64 132.3 43.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 108' ' ' ARG . 26.7 mt -133.03 131.19 40.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 81' ' ' ALA . 77.3 mt -107.25 100.65 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.1 m -105.06 156.77 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -110.71 162.41 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.426 HH21 HD11 ' A' ' 29' ' ' ILE . 11.9 mtt180 -140.98 147.72 39.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.27 134.79 58.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 117' ' ' HIS . 53.4 Cg_endo -69.79 159.38 53.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 116' ' ' VAL . 10.0 p 30.1 38.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 115' ' ' PRO . 6.6 p-80 -59.34 141.34 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.1 p -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -75.73 89.04 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.0 m -111.27 171.13 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 t 49.09 47.07 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 44.9 p -116.77 110.77 18.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t 64.97 35.58 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -81.86 -73.25 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.75 68.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 t 72.75 38.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.4 m -52.22 155.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -172.6 158.42 4.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -161.51 145.37 12.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.41 -66.32 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -136.05 147.58 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t -89.17 92.1 9.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.0 155.73 17.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 12' ' ' ASP . 6.0 mp -68.83 114.86 7.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.53 -103.49 2.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -47.54 -54.67 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -108.52 148.39 30.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.791 ' HA ' HD23 ' A' ' 8' ' ' LEU . 3.9 p-10 -127.37 169.33 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' H ' ' CD2' ' A' ' 8' ' ' LEU . 9.6 t80 -40.61 -51.07 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -61.61 -33.02 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.4 t -74.37 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.77 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.7 p -45.72 -46.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.781 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.8 mm -61.87 -51.76 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -58.51 -32.67 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.79 -41.17 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.77 ' SD ' HG22 ' A' ' 16' ' ' VAL . 21.9 mtp -69.36 -37.53 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -34.97 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 58.99 42.1 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.54 -28.12 9.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -46.41 137.4 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.0 tt0 -62.14 114.14 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 17' ' ' ILE . 47.3 mt -87.47 142.24 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -137.29 127.07 25.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -76.58 101.45 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG21 ' HG ' ' A' ' 73' ' ' LEU . 33.6 mm -93.49 104.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.33 136.16 33.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.617 HD11 ' CD1' ' A' ' 73' ' ' LEU . 96.7 mt -132.2 131.17 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG21 ' A' ' 66' ' ' VAL . 11.3 mt-10 -88.89 97.63 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -46.97 124.07 8.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.17 25.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m -78.55 -52.72 8.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -109.8 -44.21 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.04 -163.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -131.7 170.15 21.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -36.46 -39.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.09 65.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.3 p90 -141.93 132.03 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 m -90.58 165.77 13.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 56' ' ' ILE . 28.9 m -136.05 147.2 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -116.79 134.5 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.39 115.71 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' C ' HG13 ' A' ' 54' ' ' VAL . 26.9 mt -135.72 116.02 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -44.59 121.76 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.22 163.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -94.93 38.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -115.61 -77.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.874 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.19 132.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 26.73 75.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.436 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -174.62 162.33 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 55' ' ' ASP . 42.7 t -124.97 155.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.546 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 18.4 m-20 -113.46 119.08 36.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.427 HG23 ' HB ' ' A' ' 43' ' ' VAL . 24.1 mm -89.96 111.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 79.6 m-85 -108.36 140.17 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG12 HG22 ' A' ' 61' ' ' VAL . 97.1 t -77.96 110.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -114.29 155.06 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t0 58.25 49.85 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.644 HG22 HG12 ' A' ' 58' ' ' VAL . 85.1 t -70.34 91.76 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.6 118.81 28.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.9 27.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.27 38.23 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.463 ' CA ' ' HD3' ' A' ' 69' ' ' ARG . 82.4 p -137.04 146.21 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 70' ' ' ASP . 10.4 p -35.12 -39.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -33.74 -54.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t70 -114.11 -58.88 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HD3' ' CA ' ' A' ' 65' ' ' SER . 14.9 ptt85 -35.25 -43.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.621 ' HB2' HG23 ' A' ' 66' ' ' VAL . 34.8 t70 -52.4 -61.77 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -128.8 -73.82 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 ttp85 -174.98 150.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.617 ' CD1' HD11 ' A' ' 31' ' ' ILE . 1.6 tt -176.71 136.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.6 mmmp? -113.03 162.63 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -80.74 160.43 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 60.04 32.48 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -92.06 106.39 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.562 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 3.5 tt0 -70.59 111.45 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.63 108.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.88 -47.84 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.781 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -134.17 153.47 51.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.653 HD12 HD21 ' A' ' 87' ' ' LEU . 36.6 mt -132.11 123.81 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.629 ' OD1' HG22 ' A' ' 82' ' ' ILE . 0.6 OUTLIER 47.13 47.55 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t60 67.6 54.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 20.8 m -163.33 105.23 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.155 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.6 Cg_endo -69.77 142.29 47.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.653 HD21 HD12 ' A' ' 82' ' ' ILE . 17.8 mt -94.95 43.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.82 177.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -43.3 -26.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.08 -48.23 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.401 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -95.76 130.29 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m -88.03 -175.1 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 94' ' ' GLN . 1.8 p80 -63.73 -42.57 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.45 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.5 mt-30 -54.49 -64.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.5 mm100 -42.59 -48.44 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.63 -52.39 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.439 HG22 ' HG3' ' A' ' 101' ' ' GLN . 18.6 mt -56.68 -46.63 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.86 65.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.6 mt -47.01 -45.17 20.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.447 ' HB3' HD11 ' A' ' 39' ' ' LEU . 12.6 mt -73.57 -49.72 24.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.439 ' HG3' HG22 ' A' ' 97' ' ' ILE . 22.1 mt-30 -64.21 -13.91 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 103' ' ' THR . 17.4 mt-30 -105.42 -68.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.5 m -34.85 118.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.47 175.74 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 44.16 -159.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' GLY . 76.5 p -33.91 133.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -133.44 103.11 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -82.31 126.1 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 31' ' ' ILE . 72.1 mt -125.67 114.89 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 90.9 mt -92.47 99.97 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.3 m -105.29 158.26 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.42 156.35 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' GLN . 21.7 ttm-85 -126.92 155.49 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.96 133.39 20.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.63 3.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 116' ' ' VAL . 12.5 p -92.73 124.79 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -135.7 179.49 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' LYS . 42.5 p -118.56 40.25 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 118' ' ' THR . 36.6 tttp -34.6 -53.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.0 t -149.92 160.31 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.7 p -118.47 176.65 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.5 p 41.26 40.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -78.55 80.28 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA2' ' HD2' ' A' ' 125' ' ' PRO . . . -95.2 105.38 3.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.465 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.419 ' HD2' ' HA2' ' A' ' 124' ' ' GLY . 53.7 Cg_endo -69.79 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.335 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.7 p -95.89 162.48 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -69.45 -49.8 51.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -165.71 122.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -61.19 -47.15 87.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 122.61 3.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -125.71 143.5 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -83.9 -67.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.86 -154.29 10.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.95 -71.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.31 -145.4 17.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -40.12 -70.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CD ' ' HB ' ' A' ' 16' ' ' VAL . 21.4 tt0 -97.46 132.86 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.4 149.91 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -47.75 -43.17 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -67.43 -23.83 65.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 -54.44 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -48.82 -44.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 81' ' ' ALA . 29.1 mm -64.6 -43.31 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -65.41 -26.93 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.2 -36.35 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.621 ' SD ' HG22 ' A' ' 16' ' ' VAL . 39.0 mtp -75.23 -34.11 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.61 69.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 55.99 46.18 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 -26.95 6.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -48.6 142.6 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.58 115.86 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -85.27 141.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' NE ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -133.43 144.74 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -96.61 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 72' ' ' ARG . 22.2 mm -91.59 101.14 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -87.9 103.54 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 73' ' ' LEU . 80.5 mt -96.93 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -105.36 97.21 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD3' HD21 ' A' ' 39' ' ' LEU . 8.9 mmm180 -46.88 121.98 7.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -167.74 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.7 m -121.85 -30.97 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -95.92 -69.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.1 -119.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.78 23.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -46.41 -27.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.9 10.92 68.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.7 p90 -142.97 135.71 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -99.82 176.09 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.67 154.13 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 4.3 m -120.8 142.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.31 122.3 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD12 ' CD2' ' A' ' 57' ' ' PHE . 23.5 mt -135.05 110.21 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -56.65 119.96 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.1 t -75.39 132.38 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -39.04 -28.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' SER . 25.3 t30 -61.6 -175.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -53.26 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.706 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -48.06 90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.5 ptmt -159.54 145.4 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 93' ' ' HIS . 10.5 t -117.69 149.06 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 7.1 m-20 -108.44 121.8 45.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.853 HD11 ' HA ' ' A' ' 93' ' ' HIS . 25.3 mm -95.2 115.81 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CD2' HD12 ' A' ' 46' ' ' LEU . 82.6 m-85 -112.23 157.38 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG12 ' CG2' ' A' ' 61' ' ' VAL . 76.1 t -88.89 119.2 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 18.3 mmmt -128.34 167.91 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.06 49.53 20.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG2' HG12 ' A' ' 58' ' ' VAL . 93.2 t -74.06 94.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.21 124.74 67.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.03 4.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.0 56.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 m -164.23 166.63 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 67' ' ' ALA . 1.7 m -34.01 -52.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -29.36 -44.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.076 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 66' ' ' VAL . 1.4 p-10 -106.99 -69.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -38.43 -32.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 13.6 t0 -74.55 -174.24 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.9 tp-100 -33.19 -72.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' O ' HG23 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -176.56 151.41 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.1 tt -174.84 115.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -103.29 164.76 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.46 164.88 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 62.06 26.86 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.4 m-20 -87.19 100.92 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.473 ' OE1' ' CD2' ' A' ' 80' ' ' LEU . 3.0 tm0? -67.63 105.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.15 108.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 112' ' ' ALA . 20.5 mt -74.25 -43.86 55.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -140.87 153.36 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.537 HG12 HD22 ' A' ' 109' ' ' LEU . 73.1 mt -130.17 108.82 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.679 HD21 HD12 ' A' ' 107' ' ' LEU . 10.0 m120 58.99 53.46 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.421 ' HB2' ' NH2' ' A' ' 108' ' ' ARG . 8.2 t-80 64.42 52.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.7 m -162.63 105.41 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.73 48.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -98.28 49.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.5 p30 -81.97 -174.99 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.667 ' HB3' HD21 ' A' ' 51' ' ' LEU . 12.0 pt20 -39.09 -29.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 88' ' ' ASP . 54.3 m-20 -58.38 -57.39 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -99.87 138.32 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 m -88.8 -174.55 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.853 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.9 p80 -63.67 -47.39 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.613 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 28.3 mp0 -49.13 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.632 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.5 mp0 -39.61 -51.18 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.458 ' CB ' HG13 ' A' ' 56' ' ' ILE . . . -47.05 -46.64 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -63.89 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -56.1 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 mt -39.03 -36.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -76.66 -63.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.87 -14.94 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.49 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.407 HG21 ' OD1' ' A' ' 83' ' ' ASN . 4.4 m -42.56 112.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -91.87 151.96 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 69.28 -162.02 51.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 105' ' ' GLY . 11.1 m -34.47 118.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.679 HD12 HD21 ' A' ' 83' ' ' ASN . 47.1 tp -115.81 104.48 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.721 ' O ' HD23 ' A' ' 109' ' ' LEU . 46.7 ttp180 -82.12 141.85 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 108' ' ' ARG . 64.1 mt -142.73 110.89 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -88.03 100.52 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.1 158.85 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.549 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -114.52 155.27 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.488 HH21 HD11 ' A' ' 29' ' ' ILE . 14.9 mtt180 -135.4 145.71 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.89 135.49 35.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -179.25 2.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 8.0 p -106.76 143.94 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -101.85 -67.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.9 t -110.75 144.93 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -99.69 159.29 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.5 t -147.26 160.56 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.8 m -109.35 124.39 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 t -105.89 155.12 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.3 t -105.96 133.56 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 141.35 143.89 4.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.96 55.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.6 m -152.64 115.31 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.0 t -143.89 128.98 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -144.16 163.08 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -90.53 42.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.77 110.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -78.36 161.47 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -151.9 119.98 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.95 123.96 3.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -53.28 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.92 -124.58 1.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -51.21 -59.32 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -101.94 138.09 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.7 OUTLIER -92.01 153.6 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.438 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.3 t80 -37.83 -39.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.82 -40.97 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.2 t -65.0 -52.55 55.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.682 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -49.79 -47.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 81' ' ' ALA . 35.3 mm -60.72 -49.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -59.68 -36.71 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -69.41 -34.97 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.682 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.5 mtp -77.9 -30.68 50.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.28 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 63.41 43.49 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.89 -25.01 7.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -47.19 140.46 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.63 111.55 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 28.6 mt -83.78 145.09 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -136.38 131.6 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -89.62 105.96 18.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 72' ' ' ARG . 10.9 mm -93.05 101.4 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -84.23 103.46 13.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.27 136.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -110.74 101.99 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 5.1 mmm180 -49.18 121.14 10.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.39 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.72 -175.33 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -57.19 -13.43 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.95 -91.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.0 -135.84 1.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 2.3 mt -124.18 -20.6 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.66 5.09 90.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CE2' HD13 ' A' ' 39' ' ' LEU . 5.1 p90 -133.27 130.93 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -94.3 176.01 6.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -144.96 165.39 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 4.5 m -130.86 145.6 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -100.53 121.38 41.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.67 HD12 ' CD2' ' A' ' 57' ' ' PHE . 8.7 mt -139.05 110.53 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -53.72 136.39 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 t -90.68 129.91 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -48.34 -34.04 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -39.06 -71.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.8 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -170.15 -174.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.8 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -42.43 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' LEU . 18.5 ptmt -172.45 162.38 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 93' ' ' HIS . 13.2 t -130.96 138.34 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-20 -99.97 114.85 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 93' ' ' HIS . 45.4 mm -86.55 105.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.67 ' CD2' HD12 ' A' ' 46' ' ' LEU . 86.3 m-85 -97.84 140.66 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 61' ' ' VAL . 56.1 t -77.03 106.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -113.2 153.35 28.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.42 54.28 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG22 HG12 ' A' ' 58' ' ' VAL . 84.8 t -75.64 102.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.52 122.9 63.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.56 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.32 40.98 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 m -127.37 169.37 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.8 p -53.95 -44.04 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.6 -24.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 66' ' ' VAL . 5.7 t70 -106.19 -69.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -40.9 -33.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -66.75 -55.29 15.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 2.9 tp60 -163.06 162.87 26.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -56.52 122.01 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.5 tt -145.25 116.3 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -99.15 165.4 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.05 167.55 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 54.69 30.46 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -86.54 101.12 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.0 tt0 -63.41 109.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.563 HG21 ' CG1' ' A' ' 82' ' ' ILE . 28.4 mt -75.29 110.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.23 -45.83 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -137.47 149.96 47.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.663 HG12 HD22 ' A' ' 109' ' ' LEU . 95.1 mt -131.94 116.99 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 m120 61.26 45.14 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.1 t60 66.46 54.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m -166.16 112.37 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.21 45.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' GLN . 24.6 t0 -67.73 173.82 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' HB3' HD21 ' A' ' 51' ' ' LEU . 8.5 pt20 -34.26 -42.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -46.65 -59.31 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.422 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -90.02 133.49 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 m -90.31 -176.57 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.655 ' HB3' HG11 ' A' ' 54' ' ' VAL . 1.9 p80 -63.91 -40.07 95.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 47.0 mt-30 -59.46 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HB2' HG23 ' A' ' 91' ' ' ILE . 12.5 mt-30 -45.74 -45.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.17 61.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.1 -45.05 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 102' ' ' GLN . . . -52.12 -50.51 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -48.98 -36.61 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' A' ' 39' ' ' LEU . 24.9 mt -72.65 -59.08 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -65.42 -14.35 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' ALA . 45.6 mt-30 -114.76 47.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -154.73 108.81 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.15 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.56 -77.77 2.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.3 p -126.13 142.48 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 tp -139.01 106.5 5.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.688 ' O ' HD23 ' A' ' 109' ' ' LEU . 8.8 ttm180 -100.54 133.01 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 108' ' ' ARG . 30.8 mt -133.69 124.46 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 81' ' ' ALA . 33.1 mt -100.42 100.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 79' ' ' ILE . 19.1 m -105.02 158.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.33 165.98 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -137.07 153.14 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -104.42 127.29 29.36 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 176.74 6.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.7 t -140.07 151.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -121.99 162.57 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 m -39.51 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -158.13 178.57 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.7 p -123.17 -177.19 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.8 p -166.12 172.1 11.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -149.52 169.99 19.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.8 m -141.02 179.75 6.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.76 -95.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.82 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.7 p -58.0 -46.21 85.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 60.6 p -165.74 143.14 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -46.75 153.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -128.17 120.18 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 72.3 1.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -49.8 132.2 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 -177.26 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 39.29 68.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD13 ' H ' ' A' ' 13' ' ' PHE . 5.2 mp -42.88 167.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . -94.83 -131.9 6.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' GLY . 5.8 m120 -34.51 -69.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -95.15 120.13 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.9 p30 -100.33 157.5 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' H ' HD13 ' A' ' 8' ' ' LEU . 18.7 t80 -37.12 -59.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -55.68 -31.53 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.5 t -73.4 -54.7 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.6 p -54.89 -44.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.742 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -64.72 -51.04 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -59.81 -32.43 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -74.04 -40.19 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 16' ' ' VAL . 55.5 mtp -69.96 -36.24 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 -34.4 72.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 60.74 47.96 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.12 -28.49 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -45.54 132.98 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -62.74 115.01 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 43.5 mt -86.55 141.9 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.87 122.65 23.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.33 102.56 3.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 72' ' ' ARG . 21.7 mm -90.05 101.78 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 116.29 27.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.659 HD11 ' CD1' ' A' ' 73' ' ' LEU . 97.6 mt -115.13 127.53 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -89.3 99.98 12.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 7.5 mmm180 -57.26 122.24 53.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.11 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLY . 98.2 p -83.36 114.07 21.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p 40.15 25.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -91.96 -111.68 1.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.27 175.95 44.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.7 mt -82.99 -21.79 33.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.61 11.64 72.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.5 p90 -140.99 143.01 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -100.86 175.12 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.26 150.31 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.7 m -120.65 135.53 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 120.01 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.9 mt -133.96 118.76 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.6 tmm_? -61.03 120.27 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 2.0 t -77.24 136.62 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -39.5 -35.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.85 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.822 HD21 ' HB2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -51.62 -179.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.785 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -46.76 89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' LEU . 7.3 ptpt -155.82 153.22 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 93' ' ' HIS . 10.9 t -120.94 155.32 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 69.5 m-20 -119.59 113.84 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 93' ' ' HIS . 27.5 mm -86.28 126.74 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 32.8 m-85 -119.23 147.9 43.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.646 HG11 HD21 ' A' ' 73' ' ' LEU . 86.0 t -82.35 108.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -119.49 166.03 13.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 51.09 54.48 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.54 82.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -47.05 118.86 5.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HA ' ' CG ' ' A' ' 68' ' ' ASP . 53.5 Cg_endo -69.81 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 45.71 1.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -147.92 172.34 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.617 HG13 ' N ' ' A' ' 67' ' ' ALA . 14.8 p -48.06 -51.14 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.617 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -41.84 -58.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.457 ' CG ' ' HA ' ' A' ' 63' ' ' PRO . 30.6 t0 -56.39 -70.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.58 -18.59 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 16.5 t70 -46.64 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.19 -62.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.846 ' O ' HD12 ' A' ' 29' ' ' ILE . 8.4 tpp180 -151.76 125.75 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.659 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.5 tt -169.81 116.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -112.73 163.78 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 58.5 tt0 -69.2 159.72 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 75.2 m-80 63.2 34.6 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HB3' HG11 ' A' ' 111' ' ' VAL . 7.0 m-20 -94.8 99.97 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.566 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -63.51 109.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.416 HG21 ' CG1' ' A' ' 82' ' ' ILE . 26.1 mt -74.14 106.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 112' ' ' ALA . 83.3 mt -74.68 -47.34 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.742 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -137.18 152.82 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 109' ' ' LEU . 87.7 mt -132.4 112.97 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.3 45.35 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 69.14 42.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.2 m -151.95 105.0 2.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.18 44.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 96' ' ' ALA . 21.6 mt -92.2 38.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -58.68 179.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.822 ' HB2' HD21 ' A' ' 51' ' ' LEU . 6.0 pt20 -44.16 -29.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 34.3 m-20 -55.68 -57.34 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -91.2 143.88 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.825 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.7 p80 -59.38 -39.44 83.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -60.81 -62.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 91' ' ' ILE . 12.3 mt-30 -44.8 -41.88 7.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -54.58 -49.8 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.96 -45.01 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -48.65 -61.36 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.4 mt -35.52 -41.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.526 HD22 HD21 ' A' ' 107' ' ' LEU . 18.7 mt -69.53 -47.43 63.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ALA . 32.0 mt-30 -69.18 -19.69 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -113.62 50.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.1 m -158.93 110.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.18 160.88 20.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.75 -61.42 3.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.0 m -143.79 137.44 28.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.9 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD21 HD22 ' A' ' 100' ' ' LEU . 48.2 tp -132.9 101.47 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 104.87 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.527 ' CD2' HG23 ' A' ' 82' ' ' ILE . 47.6 mt -107.21 119.15 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 79.5 mt -96.81 104.45 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 77' ' ' ASP . 15.7 m -104.85 166.98 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.588 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -115.76 167.6 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -144.81 153.52 41.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.13 134.54 49.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 175.78 7.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.384 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -141.71 123.89 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -111.93 -54.53 2.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.1 p -51.87 156.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -82.36 -52.47 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 82.2 p -67.03 135.9 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.4 p -130.77 162.11 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 91.8 m -105.24 99.34 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.5 p -95.46 170.25 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -136.74 146.2 18.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.21 46.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.6 p -117.08 170.78 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' GLY . 1.2 t -96.77 161.63 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -153.83 111.13 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -69.49 87.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.14 132.98 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -162.54 174.63 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -146.37 110.89 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.07 -96.77 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 8' ' ' LEU . 4.4 mm? -70.46 -72.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.75 -143.9 18.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -41.64 -64.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.27 140.45 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 -108.31 164.92 11.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.8 t80 -43.14 -38.72 2.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.7 t -72.81 -51.31 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -50.23 -44.13 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 81' ' ' ALA . 34.5 mm -60.58 -53.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -55.49 -37.52 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.92 -34.15 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.689 ' SD ' HG22 ' A' ' 16' ' ' VAL . 25.0 mtp -81.89 -29.94 32.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -73.2 -34.47 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 62.84 42.41 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.27 -24.59 8.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 55.9 mtm180 -47.97 147.28 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -70.97 114.62 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 17' ' ' ILE . 53.1 mt -85.22 142.8 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -137.09 130.77 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 104.59 14.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 72' ' ' ARG . 4.5 mm -88.08 116.45 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -99.03 116.06 30.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.497 HD11 HD12 ' A' ' 73' ' ' LEU . 88.6 mt -119.35 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.88 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.679 HH11 HD21 ' A' ' 39' ' ' LEU . 3.9 mmm180 -62.16 119.63 50.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 173.07 11.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 t -38.84 -44.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.3 p -117.45 -170.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.21 89.85 1.59 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -139.59 43.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.679 HD21 HH11 ' A' ' 33' ' ' ARG . 1.0 OUTLIER -37.7 -38.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.46 11.86 63.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 2.5 p90 -148.22 128.82 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -89.01 175.14 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.11 146.74 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.0 m -114.68 146.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.16 126.92 50.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 57' ' ' PHE . 8.9 mt -140.52 108.02 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -50.84 122.61 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 3.8 t -76.06 144.37 40.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 40.5 mt-30 -67.77 -38.15 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 71.9 m-20 -34.46 -69.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -168.72 -178.57 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.779 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -40.2 91.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' LEU . 14.9 ptmt -173.31 164.15 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.78 HG11 ' HB3' ' A' ' 93' ' ' HIS . 24.7 t -122.3 149.33 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.548 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.5 m-20 -108.78 110.59 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.966 HD11 ' HA ' ' A' ' 93' ' ' HIS . 10.6 mm -89.21 123.38 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 80.3 m-85 -119.66 160.19 22.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.596 HG21 HD21 ' A' ' 73' ' ' LEU . 99.1 t -90.75 115.76 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmtt -126.62 153.02 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.86 48.44 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.472 HG22 HG12 ' A' ' 58' ' ' VAL . 57.7 t -70.02 100.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.94 112.62 9.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.04 15.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.36 39.13 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.2 m -138.63 172.73 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.09 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.43 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -80.19 -55.59 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.93 -28.74 24.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -51.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -47.04 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.687 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -174.02 126.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 58' ' ' VAL . 2.4 tt -141.84 115.77 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.33 155.77 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.76 158.24 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 63.01 31.0 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.486 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.7 m-20 -90.64 107.19 19.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.529 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 6.0 tt0 -70.56 113.37 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.654 ' O ' HD12 ' A' ' 87' ' ' LEU . 52.7 mt -74.66 108.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 112' ' ' ALA . 78.3 mt -75.41 -50.87 14.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.628 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -135.38 150.88 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.803 HG23 ' CD2' ' A' ' 109' ' ' LEU . 68.4 mt -130.04 114.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.64 46.38 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 66.1 48.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.6 m -157.54 111.39 1.84 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 143.66 51.45 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 79' ' ' ILE . 25.6 mt -92.83 29.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -54.21 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.583 ' HB3' HD21 ' A' ' 51' ' ' LEU . 2.0 pp0? -42.43 -45.14 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -44.67 -58.38 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.1 mt -91.89 135.77 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -97.51 -174.59 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.966 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.6 p80 -60.39 -47.18 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.532 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 50.9 mt-30 -50.69 -67.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.519 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.4 mp0 -40.06 -50.58 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.576 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -48.86 -47.97 42.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 mt -58.72 -48.3 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.29 -56.2 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -42.14 -35.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.617 ' HB3' HD11 ' A' ' 39' ' ' LEU . 20.1 mt -78.6 -60.42 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -58.59 -12.61 4.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' THR . 81.1 mt-30 -102.92 -64.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.456 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 m -34.52 136.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -127.84 173.59 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.96 -93.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.3 p -101.94 131.7 48.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.94 0.4 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.447 HD11 HD21 ' A' ' 109' ' ' LEU . 40.9 tp -124.93 108.06 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -97.82 126.48 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.803 ' CD2' HG23 ' A' ' 82' ' ' ILE . 38.6 mt -129.69 124.26 33.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 75.9 mt -98.03 100.33 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 79' ' ' ILE . 33.5 m -105.52 157.88 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -114.62 151.6 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 4.4 ptp180 -142.18 148.95 39.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -45.56 134.93 6.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.34 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.96 144.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -159.48 162.03 35.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -82.16 144.3 30.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -149.43 130.2 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -125.4 105.24 8.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -124.34 131.5 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.3 m -75.91 125.7 29.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.3 p -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -105.83 150.95 17.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.08 3.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.6 p -131.12 126.56 36.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.5 m -84.48 149.07 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 53.54 42.84 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -117.74 153.07 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 -176.15 16.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -137.96 144.76 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -75.26 159.62 31.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 147.87 23.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.39 167.58 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . -141.22 -127.83 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' GLY . 13.5 m-20 -37.77 -42.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.04 159.27 25.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.6 m-20 -125.56 166.72 16.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.98 -48.34 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.91 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.5 t -75.34 -54.97 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.643 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -48.87 -43.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.574 HD11 ' HB2' ' A' ' 81' ' ' ALA . 44.1 mm -65.91 -48.05 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -61.97 -24.34 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.23 -34.04 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.643 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.6 mtp -82.1 -26.32 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.95 -34.27 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 56.37 48.41 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.3 -36.4 3.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -39.6 135.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -61.5 119.15 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.539 ' CG2' HG23 ' A' ' 110' ' ' ILE . 48.0 mt -86.97 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -131.67 156.62 45.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -111.9 108.02 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 72' ' ' ARG . 8.0 mm -96.58 105.54 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.86 101.76 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.52 HD11 ' CD1' ' A' ' 73' ' ' LEU . 83.6 mt -96.16 135.36 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.62 107.93 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -63.57 121.77 72.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -173.4 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -91.5 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.7 p -107.05 20.09 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.41 -128.9 5.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.08 -178.36 44.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -55.43 -30.4 60.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.77 1.35 83.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.437 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CD1' HG13 ' A' ' 58' ' ' VAL . 4.0 p90 -134.01 137.61 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -98.89 175.41 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.77 -179.78 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -146.79 148.62 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' CB ' ' CG ' ' A' ' 93' ' ' HIS . . . -104.15 126.98 51.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -143.67 109.6 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -46.11 116.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -62.23 168.52 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.23 13.85 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.2 -76.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.87 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.18 132.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 23.27 67.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 10.4 ptmt -162.85 149.74 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 93' ' ' HIS . 21.8 t -114.81 152.67 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 68.6 m-20 -110.15 124.9 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.863 HD11 ' HA ' ' A' ' 93' ' ' HIS . 22.7 mm -97.93 111.86 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 53.7 m-85 -107.78 148.3 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.505 HG21 HD21 ' A' ' 73' ' ' LEU . 47.8 t -80.21 118.87 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 11.7 mmmt -125.62 148.73 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.76 53.9 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.443 HG22 HG12 ' A' ' 58' ' ' VAL . 98.3 t -74.95 101.73 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -57.32 113.98 7.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 54.1 Cg_endo -69.72 0.6 5.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.63 -41.84 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -50.16 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.42 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 5.7 p -57.54 -39.42 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.28 -41.53 38.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 2.0 t70 -73.01 -73.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 66' ' ' VAL . 10.2 ptt180 -42.22 -26.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 71' ' ' GLN . 15.5 t70 -55.29 168.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.434 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 30.1 tt0 -34.75 -70.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.711 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -174.72 132.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.52 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.4 tt -152.82 120.36 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -99.42 165.68 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.59 173.33 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.8 m120 49.25 29.46 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' A' ' 113' ' ' ARG . 8.6 m-20 -86.61 109.38 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.85 106.25 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.9 mt -70.86 110.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.42 -46.82 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -140.73 153.78 46.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.6 mt -129.72 107.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.568 ' OD1' HD12 ' A' ' 107' ' ' LEU . 2.8 m120 62.99 54.68 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.6 t60 60.56 48.85 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.7 m -159.12 105.0 1.55 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.3 47.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' CB ' ' A' ' 96' ' ' ALA . 2.5 mt -94.82 31.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ASN . 11.2 p30 -55.51 176.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' ASP . 16.1 pt20 -35.07 -34.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . 16.4 m120 -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.427 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.3 mt -94.97 131.32 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m -84.01 -175.22 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.863 ' HA ' HD11 ' A' ' 56' ' ' ILE . 2.0 p80 -64.51 -41.65 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.44 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.8 mt-30 -54.58 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.427 ' HB2' HG23 ' A' ' 91' ' ' ILE . 22.4 mm-40 -42.31 -44.69 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.414 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -50.7 -43.56 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.7 mt -66.27 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -60.35 -57.3 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.7 mt -37.46 -31.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.749 ' HB3' HD11 ' A' ' 39' ' ' LEU . 13.6 mt -83.81 -62.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.36 -15.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' THR . 13.9 mt-30 -99.74 -68.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.2 m -37.89 127.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.0 -176.83 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 39.82 -161.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 105' ' ' GLY . 2.8 m -31.93 139.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.851 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.568 HD12 ' OD1' ' A' ' 83' ' ' ASN . 51.0 tp -134.98 104.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.3 tmm_? -87.98 135.01 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 108' ' ' ARG . 49.0 mt -134.12 120.34 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.539 HG23 ' CG2' ' A' ' 26' ' ' ILE . 96.5 mt -92.19 100.24 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.02 160.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.8 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.537 HH21 HD11 ' A' ' 29' ' ' ILE . 15.0 mmt180 -134.0 164.83 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.476 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 31.3 tt0 -99.34 139.19 20.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' HIS . 54.1 Cg_endo -69.73 159.79 52.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 116' ' ' VAL . 10.0 p 30.22 38.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 115' ' ' PRO . 0.8 OUTLIER -56.6 152.76 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -134.65 168.11 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.542 ' HB2' HG21 ' A' ' 122' ' ' THR . 0.0 OUTLIER -147.21 159.14 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -149.19 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 t 43.54 49.48 6.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.542 HG21 ' HB2' ' A' ' 119' ' ' LYS . 61.7 p -92.44 40.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.165 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -81.81 99.22 8.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -109.28 146.36 16.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.69 46.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.5 t -129.33 93.43 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -112.61 133.95 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m 60.46 43.46 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -97.22 112.35 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.0 141.86 10.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -159.34 177.34 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 p -132.47 172.27 12.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.85 130.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.95 -58.78 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.65 -147.66 16.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -50.33 -49.44 53.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -101.64 148.64 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.31 160.38 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.2 t80 -47.19 -38.31 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -71.8 -34.09 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -72.68 -45.74 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.9 p -56.93 -45.37 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 HD13 ' A' ' 26' ' ' ILE . 29.6 mm -62.1 -50.55 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -58.78 -37.35 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.51 -37.36 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.716 ' SD ' HG22 ' A' ' 16' ' ' VAL . 30.5 mtp -73.82 -30.01 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.01 -33.2 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 61.19 38.82 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 -29.06 10.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.96 139.82 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -63.57 114.78 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.608 HD13 HG22 ' A' ' 17' ' ' ILE . 20.9 mt -86.91 140.16 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.39 126.4 33.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' CD2' HG12 ' A' ' 110' ' ' ILE . 19.5 m-85 -82.34 101.65 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.702 HD12 ' O ' ' A' ' 72' ' ' ARG . 11.1 mm -89.76 101.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.18 104.91 17.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.406 HD11 HD12 ' A' ' 73' ' ' LEU . 37.8 mt -93.25 136.02 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.513 ' O ' HG21 ' A' ' 66' ' ' VAL . 4.8 tt0 -103.22 86.26 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 103' ' ' THR . 3.2 ttp180 -49.64 125.95 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -174.61 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m -81.69 -50.93 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.3 t -48.71 -29.98 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.0 132.97 7.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.489 ' C ' HD23 ' A' ' 39' ' ' LEU . . . 132.94 164.33 10.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD23 ' C ' ' A' ' 38' ' ' GLY . 1.3 mt -119.35 -31.68 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.94 12.68 80.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -108.11 173.11 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.2 m -141.18 149.26 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 3.0 m -118.35 144.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -104.38 120.26 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 57' ' ' PHE . 11.6 mt -133.74 109.41 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 1.9 tmm_? -56.25 128.05 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.489 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.9 t -79.71 176.1 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 43.7 tt0 -94.31 -39.86 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 26.3 m-20 -34.15 -64.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -173.21 -176.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.699 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -43.12 89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.5 ptmt -168.11 155.25 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' ' 93' ' ' HIS . 15.2 t -120.94 148.95 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -111.36 112.62 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 93' ' ' HIS . 26.1 mm -87.41 119.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 46' ' ' LEU . 69.3 m-85 -114.58 143.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.563 HG12 ' CG2' ' A' ' 61' ' ' VAL . 80.1 t -77.56 112.18 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 19.1 mmmt -121.29 152.24 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.21 54.41 3.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.563 ' CG2' HG12 ' A' ' 58' ' ' VAL . 64.1 t -80.04 103.34 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.49 128.55 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -11.87 31.82 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.8 68.69 0.54 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -158.08 150.51 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 32' ' ' GLU . 9.2 p -34.27 -33.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' SER . . . -47.04 -50.11 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 11.8 p-10 -107.58 -60.93 1.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' ASP . 8.7 ptm180 -37.0 -44.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' HB2' HG23 ' A' ' 66' ' ' VAL . 4.4 t70 -76.79 -70.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 17.8 tp60 -114.91 150.73 35.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.702 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -65.74 121.64 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CD2' HG11 ' A' ' 58' ' ' VAL . 3.0 tt -146.93 127.43 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' HD23 ' A' ' 73' ' ' LEU . 59.8 mmtt -106.82 164.21 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -77.1 163.07 26.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 m120 58.01 40.38 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.573 ' OD2' HG21 ' A' ' 111' ' ' VAL . 7.2 m-20 -99.35 102.38 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 5.4 tt0 -64.26 99.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.496 ' HA ' HG12 ' A' ' 111' ' ' VAL . 59.7 mt -65.95 110.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.83 -49.26 14.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -134.97 151.24 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.905 HG23 ' CD2' ' A' ' 109' ' ' LEU . 67.9 mt -130.62 116.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.65 ' ND2' HG22 ' A' ' 82' ' ' ILE . 73.8 m-20 65.54 54.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 56.11 45.87 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.1 m -156.12 115.58 2.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.02 52.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -94.08 30.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' GLN . 10.6 p-10 -53.32 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -36.61 -39.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -47.87 -53.68 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -97.49 132.05 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -90.21 -175.13 4.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.736 ' HB3' HG11 ' A' ' 54' ' ' VAL . 1.9 p80 -64.75 -40.64 95.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 37.1 mt-30 -57.14 -61.57 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB2' HG23 ' A' ' 91' ' ' ILE . 14.1 mt-30 -44.32 -49.37 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.46 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.5 mt -53.88 -40.43 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.98 -65.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' ALA . 45.7 mt -35.46 -42.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 26.9 mt -64.1 -46.78 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 37.6 mt-30 -73.72 -21.25 60.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -117.65 64.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.49 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 1.9 m -152.25 105.0 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.83 173.13 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.59 -48.38 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -175.15 142.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.898 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.441 ' HA ' HG21 ' A' ' 103' ' ' THR . 35.6 tp -116.54 102.73 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.83 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 tpp85 -89.72 133.26 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.905 ' CD2' HG23 ' A' ' 82' ' ' ILE . 37.9 mt -140.09 120.9 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 28' ' ' TYR . 53.5 mt -101.21 107.7 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.573 HG21 ' OD2' ' A' ' 77' ' ' ASP . 24.2 m -108.43 159.89 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.1 163.58 12.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -141.31 153.23 45.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -94.71 134.78 24.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.56 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.47 131.03 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -110.22 -38.66 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -133.36 128.06 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 120' ' ' SER . 22.7 ttpp -79.55 164.64 23.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' CG ' ' A' ' 119' ' ' LYS . 5.6 t -144.7 157.47 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -150.77 132.42 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.1 t -136.41 160.12 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.4 t -54.17 104.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -132.1 81.98 0.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 160.13 50.87 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.5 t -80.38 138.86 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.8 m -115.18 168.82 9.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -56.09 155.08 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -90.25 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.17 -169.29 21.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -150.3 157.76 43.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -89.06 129.3 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.65 -177.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.52 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.23 -142.15 16.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -57.02 -65.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 15' ' ' SER . 3.9 tp10 -88.47 134.46 33.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -96.0 150.99 19.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.3 t80 -39.57 -61.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.0 m-80 -51.71 -32.15 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB3' ' CD ' ' A' ' 11' ' ' GLU . 5.3 t -72.45 -54.47 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.665 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -57.07 -42.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.657 HD11 ' HB2' ' A' ' 81' ' ' ALA . 33.0 mm -67.5 -46.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -63.81 -25.82 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -80.76 -37.68 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.665 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.3 mtp -73.09 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.16 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 63.15 42.85 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -34.75 4.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -42.28 135.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.683 0.278 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.56 114.27 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.31 141.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -135.28 114.13 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -72.19 101.65 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 72' ' ' ARG . 11.6 mm -90.78 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' CB ' ' HE ' ' A' ' 108' ' ' ARG . 22.0 t0 -89.02 100.51 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.529 HD11 HD12 ' A' ' 73' ' ' LEU . 87.1 mt -93.07 133.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -92.08 101.45 13.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 37' ' ' GLY . 8.8 mmm180 -61.47 122.76 72.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 177.89 5.14 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -72.9 -57.05 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p -124.49 24.73 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 33' ' ' ARG . . . -108.68 174.43 18.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -116.36 152.43 17.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.9 OUTLIER -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 87.66 14.13 63.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 11.8 p90 -144.67 161.93 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.7 176.05 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 15.7 m -148.5 127.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.4 m -109.28 132.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -87.43 135.19 33.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 57' ' ' PHE . 16.8 mt -152.34 107.51 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' LEU . 2.3 tmm_? -34.73 128.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.422 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.2 t -76.28 146.18 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -82.59 19.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.76 -73.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.842 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -172.95 143.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.93 78.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' CG ' ' HB3' ' A' ' 48' ' ' SER . 8.3 ptmm? -176.34 162.18 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 93' ' ' HIS . 39.8 t -118.64 154.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 54' ' ' VAL . 37.6 m-20 -115.14 116.28 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 93' ' ' HIS . 29.8 mm -86.64 132.38 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 84.1 m-85 -124.35 132.24 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG12 ' CG2' ' A' ' 61' ' ' VAL . 46.7 t -70.21 115.27 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 13.2 mmmt -115.84 168.72 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 41.85 54.85 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.528 ' CG2' HG12 ' A' ' 58' ' ' VAL . 56.4 t -73.86 91.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -42.78 127.95 3.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.55 69.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.02 42.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 67' ' ' ALA . 5.7 p -41.29 -54.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.605 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -37.67 -35.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -109.11 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 70' ' ' ASP . 9.5 ptm180 -35.72 -51.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.52 ' CB ' HG23 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -77.43 -75.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' ASP . 3.9 tp-100 -95.52 160.03 14.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -87.55 109.46 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.529 HD12 HD11 ' A' ' 31' ' ' ILE . 2.4 tt -134.36 131.37 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' N ' HD23 ' A' ' 73' ' ' LEU . 27.0 mmmt -107.9 168.17 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 32.1 tt0 -81.68 160.3 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 85.2 m-20 62.95 27.41 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -88.06 102.84 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.565 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -66.26 110.35 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 111' ' ' VAL . 39.2 mt -74.95 114.49 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 112' ' ' ALA . 75.8 mt -83.67 -47.81 10.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -132.6 145.91 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.741 HG23 ' CD2' ' A' ' 109' ' ' LEU . 73.9 mt -126.84 117.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.539 HD21 HG21 ' A' ' 103' ' ' THR . 13.9 m120 62.52 51.01 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 59.86 46.75 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 m -155.41 116.29 2.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.03 46.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 79' ' ' ILE . 31.2 mt -93.73 33.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -58.25 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.42 -25.9 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -60.32 -57.52 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -99.08 135.4 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.46 -174.94 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.678 ' HA ' HD11 ' A' ' 56' ' ' ILE . 1.9 p80 -62.19 -45.26 94.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.535 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 68.5 mt-30 -53.79 -61.06 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.01 -42.6 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.16 67.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.7 mt -63.06 -46.22 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -52.45 -59.45 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.6 mt -38.26 -34.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.672 ' HB3' HD11 ' A' ' 39' ' ' LEU . 23.6 mt -79.65 -64.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -54.24 -14.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -100.6 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.539 HG21 HD21 ' A' ' 83' ' ' ASN . 17.7 m -40.29 133.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -130.87 174.99 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.21 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -130.79 148.84 52.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 100' ' ' LEU . 29.6 tp -134.58 132.19 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HE ' ' CB ' ' A' ' 30' ' ' ASP . 15.3 tpp85 -125.35 99.25 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.741 ' CD2' HG23 ' A' ' 82' ' ' ILE . 42.5 mt -105.13 126.96 52.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 63.4 mt -105.27 103.06 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 79' ' ' ILE . 24.3 m -105.0 155.96 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -104.97 166.34 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -142.96 139.75 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 10.8 tt0 -89.03 141.93 29.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 114' ' ' GLU . 54.1 Cg_endo -69.75 -179.84 3.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 117' ' ' HIS . 12.4 p -94.65 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.553 ' N ' HG22 ' A' ' 116' ' ' VAL . 50.3 m80 -130.65 -67.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.4 m -126.19 122.1 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.63 109.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.3 t -113.88 102.52 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.1 p -92.07 126.97 37.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.2 p -111.16 132.44 54.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.174 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.8 t -100.5 153.17 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -176.66 123.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.17 10.83 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m -74.51 -62.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.2 t -82.14 148.46 28.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -114.77 118.94 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -48.56 -44.68 36.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.44 79.95 1.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -134.61 158.39 44.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -171.42 127.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.47 -177.74 41.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -145.41 162.19 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.02 -104.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.59 -41.56 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -129.78 117.72 20.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -79.39 -174.47 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HA ' HG12 ' A' ' 16' ' ' VAL . 19.3 t80 -62.09 -40.32 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -72.38 -23.91 61.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -84.24 -45.11 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 17' ' ' ILE . 4.9 p -60.58 -48.33 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.531 HG22 HD13 ' A' ' 26' ' ' ILE . 43.8 mm -61.09 -46.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -59.69 -28.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -76.49 -44.92 33.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.491 ' SD ' HG22 ' A' ' 16' ' ' VAL . 11.3 mtp -65.46 -38.59 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.12 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 62.19 43.68 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 96.47 -39.81 2.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 58.8 mtm180 -37.9 137.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.299 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.09 116.97 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.531 HD13 HG22 ' A' ' 17' ' ' ILE . 39.9 mt -88.86 142.32 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -134.45 168.33 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -116.75 118.79 33.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.819 HD11 HH22 ' A' ' 113' ' ' ARG . 16.8 mm -110.32 101.08 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.35 101.7 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 73' ' ' LEU . 97.0 mt -94.94 129.59 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -86.68 96.52 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.618 HH11 HD21 ' A' ' 39' ' ' LEU . 3.2 mmm180 -54.85 117.29 13.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.4 5.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' GLY . 38.8 m -86.63 134.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 p 39.75 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -113.92 -154.77 11.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.523 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.33 -154.85 8.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.618 HD21 HH11 ' A' ' 33' ' ' ARG . 1.5 mt -104.39 -30.36 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.19 14.69 71.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.5 p90 -144.8 126.97 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -85.45 172.21 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 35.4 m -147.05 148.62 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.508 HG21 ' HE3' ' A' ' 59' ' ' LYS . 27.8 m -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.72 124.1 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.596 ' C ' HG13 ' A' ' 54' ' ' VAL . 7.2 mt -142.8 109.15 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -55.59 115.46 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -67.99 146.52 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -79.19 44.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -110.4 -75.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -174.22 109.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 34.33 68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -160.28 154.95 24.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 93' ' ' HIS . 42.0 t -128.9 144.43 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -104.99 117.25 33.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.454 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 40.0 mm -86.38 110.31 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 87.6 m-85 -98.0 140.24 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG11 ' CD2' ' A' ' 73' ' ' LEU . 94.6 t -82.09 104.43 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.508 ' HE3' HG21 ' A' ' 44' ' ' VAL . 27.7 mttt -115.87 150.09 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 69.44 46.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 58' ' ' VAL . 98.7 t -71.67 94.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -53.64 120.63 23.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -16.06 37.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.28 39.94 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p -129.79 166.66 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 67' ' ' ALA . 3.5 p -46.12 -54.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -42.69 -24.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 28.2 t0 -117.2 -75.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ASP . 21.4 ptt180 -36.3 -45.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 69' ' ' ARG . 1.8 m-20 -84.28 -73.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' ALA . 4.2 tp-100 -101.69 164.9 11.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.597 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -89.2 131.29 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.698 ' CD2' HG11 ' A' ' 58' ' ' VAL . 1.7 tt -154.01 137.99 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.468 ' O ' HD23 ' A' ' 73' ' ' LEU . 11.3 mptt -113.58 165.35 12.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -82.64 160.43 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.86 25.61 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.511 ' HB3' HG11 ' A' ' 111' ' ' VAL . 82.0 m-20 -85.32 99.92 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -64.16 100.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.596 HG21 HG12 ' A' ' 82' ' ' ILE . 43.0 mt -65.9 103.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 20' ' ' MET . 77.6 mt -72.14 -43.13 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.67 152.89 50.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.596 HG12 HG21 ' A' ' 79' ' ' ILE . 66.6 mt -132.11 109.0 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.757 ' OD1' HD12 ' A' ' 107' ' ' LEU . 72.9 m-20 66.22 48.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 65.24 52.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.5 m -164.96 111.22 0.83 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 141.98 46.6 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 96' ' ' ALA . 27.3 mt -87.46 34.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -57.63 179.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' ASN . 8.9 pt20 -41.84 -43.1 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 7.1 m-20 -44.11 -50.47 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.4 mt -101.79 141.81 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -96.99 179.05 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.597 ' HB3' HG11 ' A' ' 54' ' ' VAL . 2.0 p80 -59.35 -40.67 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 72.4 mt-30 -57.1 -66.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 91' ' ' ILE . 8.3 mm-40 -40.09 -47.62 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -48.91 -52.46 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' A' ' 100' ' ' LEU . 23.0 mt -57.02 -40.06 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.73 -64.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.4 mt -34.67 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.534 HD23 HD11 ' A' ' 107' ' ' LEU . 19.1 mt -75.53 -52.9 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 36.0 mt-30 -67.37 -17.86 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.36 49.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.416 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 16.0 m -155.89 112.66 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.08 155.71 25.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.85 -74.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 m -134.54 137.95 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.757 HD12 ' OD1' ' A' ' 83' ' ' ASN . 37.6 tp -134.88 103.3 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -88.81 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 82' ' ' ILE . 57.2 mt -126.75 114.3 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.65 100.25 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.511 HG11 ' HB3' ' A' ' 77' ' ' ASP . 26.9 m -105.2 162.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.52 160.95 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.819 HH22 HD11 ' A' ' 29' ' ' ILE . 28.9 mtt-85 -143.76 168.76 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 20.4 tt0 -46.28 131.43 7.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 116' ' ' VAL . 53.3 Cg_endo -69.81 161.13 47.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.269 . . . . 0.0 112.294 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 116' ' ' VAL . 11.2 p 32.11 44.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 19.5 m-70 -31.68 105.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -116.66 40.7 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.65 158.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.3 p -85.0 81.55 8.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.4 p -70.52 135.71 48.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.9 m -87.08 83.02 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.6 t -95.29 165.55 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.94 83.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 134.61 28.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.7 m -118.18 121.44 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.3 t -113.31 141.24 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -111.34 95.45 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -74.41 83.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.41 87.73 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 8.2 t -161.35 132.27 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.8 m -34.7 -49.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.8 146.53 16.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.0 mp -65.42 177.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.47 -108.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.73 -69.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.16 137.85 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.2 p-10 -124.63 154.01 41.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -38.16 -53.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -59.2 -33.96 71.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.0 t -73.36 -57.28 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.717 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.7 p -48.98 -46.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . 41.2 mm -64.95 -49.14 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -61.76 -26.61 68.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 29.9 mt-30 -80.28 -37.68 32.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.717 ' SD ' HG22 ' A' ' 16' ' ' VAL . 33.7 mtp -75.77 -33.83 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.96 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.7 mm-40 57.83 49.28 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.66 -31.19 3.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -42.64 136.48 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -62.63 117.07 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 110' ' ' ILE . 51.0 mt -88.34 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -136.0 132.59 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.47 102.62 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.689 HG21 HD12 ' A' ' 73' ' ' LEU . 33.4 mm -89.19 103.26 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.89 103.64 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.18 130.85 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' O ' HG21 ' A' ' 66' ' ' VAL . 9.5 tp10 -91.84 104.15 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 103' ' ' THR . 7.4 mmm180 -58.39 110.72 2.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.5 p -129.1 -34.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.6 p -87.15 22.3 2.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.54 -139.91 4.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.59 -151.91 5.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD22 HD22 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -58.43 -34.25 70.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.7 16.3 66.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 4.6 p90 -149.12 154.19 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -109.39 175.84 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.35 147.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.529 HG13 ' HG3' ' A' ' 59' ' ' LYS . 29.6 m -117.08 134.52 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' HD23 ' A' ' 46' ' ' LEU . . . -90.8 127.22 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 45' ' ' ALA . 23.7 mt -146.22 112.57 5.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -47.44 124.79 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 t -71.25 174.23 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.87 -0.51 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -73.55 -75.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.957 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -175.54 149.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.673 ' N ' HD22 ' A' ' 51' ' ' LEU . . . 4.77 78.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -173.25 160.53 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' C ' ' A' ' 46' ' ' LEU . 21.3 t -124.56 142.55 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 32.5 m-20 -101.32 119.01 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 93' ' ' HIS . 18.4 mm -88.49 121.67 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 14.7 m-85 -113.69 145.37 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 73' ' ' LEU . 54.0 t -79.51 125.27 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.529 ' HG3' HG13 ' A' ' 44' ' ' VAL . 19.2 mmtt -135.17 164.43 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 48.78 54.7 10.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.625 HG23 ' OE2' ' A' ' 75' ' ' GLU . 61.7 t -75.58 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' VAL . 59.6 mt-30 -38.06 116.47 0.87 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.737 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 53.5 Cg_endo -69.73 -3.96 13.05 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.92 45.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -143.24 -179.09 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 32' ' ' GLU . 11.9 p -56.1 -30.09 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.17 61.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 7.7 t70 -89.56 -55.38 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' CD ' ' HA ' ' A' ' 66' ' ' VAL . 13.9 ptt85 -53.55 -43.47 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 41.7 t0 -42.37 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 69' ' ' ARG . 14.9 pt20 40.32 28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' HB2' ' CG ' ' A' ' 70' ' ' ASP . 59.9 mtt-85 -122.36 -37.57 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 29' ' ' ILE . 2.1 tt -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -121.11 155.21 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.625 ' OE2' HG23 ' A' ' 61' ' ' VAL . 2.3 tp10 -56.67 151.1 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 65.83 53.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 58' ' ' VAL . 13.1 m-20 -111.65 104.65 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.563 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.0 tt0 -69.05 99.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.523 HG21 ' CG1' ' A' ' 82' ' ' ILE . 37.6 mt -65.4 117.65 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.58 -43.45 14.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.24 150.25 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.576 HG12 HD22 ' A' ' 109' ' ' LEU . 45.6 mt -132.11 118.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.543 ' ND2' HG22 ' A' ' 82' ' ' ILE . 46.4 m-20 63.64 49.23 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 60.4 52.74 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 m -162.37 114.7 1.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.65 51.75 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 45.07 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -70.67 179.91 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -37.6 -37.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.13 -60.18 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.9 mt -93.28 136.95 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -92.61 -174.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.711 ' HA ' HD11 ' A' ' 56' ' ' ILE . 2.0 p80 -62.83 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.528 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 56.5 mt-30 -51.7 -65.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.465 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.1 mm-40 -44.29 -45.8 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.13 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.1 mt -65.33 -43.9 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.76 -55.79 26.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -43.96 -47.65 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 39' ' ' LEU . 10.9 mt -68.9 -55.29 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -59.31 -13.75 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -124.11 65.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.552 HG21 HD13 ' A' ' 107' ' ' LEU . 2.9 m -131.27 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 165.39 27.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.2 p -131.35 135.92 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.685 HD11 HD21 ' A' ' 109' ' ' LEU . 48.2 tp -112.29 101.34 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.641 ' O ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -92.67 126.07 37.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 107' ' ' LEU . 46.0 mt -131.8 133.26 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 26' ' ' ILE . 83.4 mt -109.56 100.57 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.0 157.28 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.53 163.08 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -142.72 136.55 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -56.61 130.83 77.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.31 4.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.633 ' O ' HG22 ' A' ' 116' ' ' VAL . 13.2 p -85.99 29.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.58 166.89 22.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -59.28 144.09 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.88 146.05 44.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 t -119.07 -46.48 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.1 m 52.98 28.71 6.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.8 m -101.6 138.84 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 t -135.65 148.89 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -130.55 71.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -78.66 109.47 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.3 m -89.49 113.9 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -139.81 174.52 10.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.87 83.32 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.94 -149.38 5.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.4 t -159.28 132.28 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 33.6 t -34.67 -54.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -173.76 21.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.72 -73.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.05 -143.53 16.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -37.57 -59.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -102.19 136.4 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.21 169.23 9.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.09 -31.29 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -77.97 -29.29 49.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -79.18 -46.04 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.658 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.4 p -53.89 -50.05 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.698 HD11 ' HB2' ' A' ' 81' ' ' ALA . 39.2 mm -61.29 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.02 -34.38 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -72.13 -35.28 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.658 ' SD ' HG22 ' A' ' 16' ' ' VAL . 23.3 mtp -75.53 -34.55 60.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.97 71.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 57.41 48.28 14.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.45 -34.54 4.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -46.01 134.1 8.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -63.25 114.49 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 17' ' ' ILE . 11.1 mt -82.01 144.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -137.56 131.22 31.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -87.84 106.88 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 72' ' ' ARG . 9.2 mm -87.77 130.58 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.17 107.4 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 73' ' ' LEU . 65.7 mt -107.41 135.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -99.08 92.17 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' A' ' 39' ' ' LEU . 6.0 mmm180 -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 53.7 Cg_endo -69.72 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.6 -45.33 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 37' ' ' GLY . 5.0 t -54.12 -44.99 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 36' ' ' THR . . . -127.28 -115.86 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -158.63 -159.81 9.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -39.07 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 71.6 11.31 72.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.476 ' HD2' HG13 ' A' ' 58' ' ' VAL . 5.8 p90 -149.59 147.53 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -110.53 171.66 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.486 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 22.2 m -142.44 149.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -110.46 162.49 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.49 127.38 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.7 mt -146.61 117.48 7.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.47 121.61 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -76.9 136.28 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -40.24 -36.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' LEU . 10.4 m120 -57.97 -175.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 55.0 tp -40.86 162.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' N ' ' HG ' ' A' ' 51' ' ' LEU . . . -47.96 87.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.3 ptpp? -146.04 160.78 41.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.662 HG11 ' HB3' ' A' ' 93' ' ' HIS . 13.4 t -119.08 141.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.582 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 40.8 m-20 -106.35 113.92 27.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 93' ' ' HIS . 17.3 mm -86.07 118.22 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 61.3 m-85 -115.07 136.28 53.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.476 HG13 ' HD2' ' A' ' 41' ' ' PHE . 85.5 t -71.01 116.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.08 163.97 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t70 52.5 54.61 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLN . 90.9 t -69.48 77.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' VAL . 16.5 mt-30 -34.41 112.2 0.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -13.06 34.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.2 29.02 6.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -126.38 171.06 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' ASP . 3.3 p -42.6 -49.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -43.07 -62.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.48 -47.38 38.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 24.7 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' VAL . 25.3 t0 -84.74 173.43 10.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.26 -56.58 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.877 ' O ' HD12 ' A' ' 29' ' ' ILE . 11.6 ttm180 -170.82 114.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 31' ' ' ILE . 2.2 tt -159.22 127.97 5.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 17.9 mmmt -118.52 170.86 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -74.54 163.21 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 53.26 52.21 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.542 ' HB3' HG11 ' A' ' 111' ' ' VAL . 19.3 m-20 -108.53 110.27 21.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -71.23 117.32 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 82' ' ' ILE . 2.6 mm -74.59 101.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 112' ' ' ALA . 67.9 mt -75.69 -34.6 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.849 ' HB3' HD12 ' A' ' 110' ' ' ILE . . . -155.74 149.0 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.675 HG23 HD23 ' A' ' 109' ' ' LEU . 72.2 mt -130.15 123.06 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.4 m120 54.29 49.9 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 62.1 54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 m -166.13 109.55 0.72 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.183 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.91 55.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.596 HD13 ' CB ' ' A' ' 96' ' ' ALA . 17.5 mt -94.91 40.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' GLN . 25.4 t0 -58.34 173.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' ASP . 8.8 pt20 -37.37 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.5 mt -86.97 138.14 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 m -87.73 -174.94 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.662 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.0 p-80 -67.47 -40.03 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.417 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 11.3 mm-40 -57.98 -64.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.475 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.5 mt-30 -40.16 -45.96 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.596 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -53.35 -49.32 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.9 mt -61.72 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.88 -61.76 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' ALA . 39.1 mt -36.44 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.796 HD23 HD11 ' A' ' 107' ' ' LEU . 27.8 mt -80.44 -54.24 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.81 -12.35 61.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.7 30.6 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.3 m -143.27 105.16 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.62 175.17 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.76 -82.71 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 m -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 100' ' ' LEU . 59.8 tp -120.19 105.95 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' O ' HD23 ' A' ' 109' ' ' LEU . 4.0 ttm105 -89.36 135.88 33.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.675 HD23 HG23 ' A' ' 82' ' ' ILE . 22.9 mt -138.26 165.91 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.849 HD12 ' HB3' ' A' ' 81' ' ' ALA . 67.7 mt -140.15 115.55 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 77' ' ' ASP . 16.5 m -123.64 154.82 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -105.41 164.43 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.43 ' NH2' ' HG2' ' A' ' 72' ' ' ARG . 23.6 mtt180 -142.7 140.79 31.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 115' ' ' PRO . 12.6 tp10 -72.04 139.04 82.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 117' ' ' HIS . 54.2 Cg_endo -69.73 160.5 49.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.491 ' O ' HG22 ' A' ' 116' ' ' VAL . 9.4 p 34.12 32.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -59.83 -176.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.3 p -109.74 177.59 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -160.37 111.21 1.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.6 p -76.73 -179.12 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.7 t -144.0 155.56 44.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 49.7 m -163.57 136.7 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -112.17 169.81 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.18 95.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 175.17 8.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.348 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.1 m -147.68 129.64 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -61.13 142.09 56.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -57.49 88.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -150.5 162.09 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -160.8 102.08 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.8 m -35.09 -43.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -120.04 142.57 48.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -50.52 -177.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 12' ' ' ASP . 36.7 mt -34.32 -68.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . 61.6 -104.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' GLY . 4.9 m-20 -34.54 -66.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.43 118.29 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 24.0 m-20 -102.52 169.94 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -39.36 -37.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.65 -38.26 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -68.82 -49.67 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.628 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.2 p -54.21 -48.14 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' ' 81' ' ' ALA . 36.2 mm -62.95 -48.06 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -61.14 -29.6 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -76.43 -41.06 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.628 ' SD ' HG22 ' A' ' 16' ' ' VAL . 23.4 mtp -69.43 -27.76 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.3 55.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 65.36 42.93 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 94.18 -37.37 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' GLY . 59.0 mtm180 -36.62 137.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -64.71 115.32 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.7 mt -87.4 140.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -131.64 118.57 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -69.7 102.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.518 HG21 HD12 ' A' ' 73' ' ' LEU . 12.2 mm -88.96 105.68 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 5.8 p-10 -91.01 100.44 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.647 HD11 HD12 ' A' ' 73' ' ' LEU . 96.7 mt -97.42 130.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.09 99.37 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -41.03 110.18 0.7 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.48 49.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -88.63 50.91 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -116.14 -48.75 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.92 -40.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.9 -161.86 8.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 100' ' ' LEU . 2.1 mt -82.59 -42.28 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.43 8.11 36.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.2 p90 -138.9 141.48 38.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 m -94.71 171.72 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.488 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.4 m -141.88 153.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.5 m -122.92 147.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -101.18 132.59 46.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 57' ' ' PHE . 46.1 mt -147.02 109.07 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.7 tmm_? -49.29 122.48 6.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -74.43 -180.0 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -102.84 -35.62 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -38.05 -67.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.961 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -167.11 172.49 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.961 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -33.61 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 51' ' ' LEU . 10.1 ptmm? -171.07 166.12 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 93' ' ' HIS . 22.8 t -121.48 158.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 54' ' ' VAL . 66.8 m-20 -117.17 114.07 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.891 ' O ' HD12 ' A' ' 79' ' ' ILE . 14.4 mm -88.22 112.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 46' ' ' LEU . 97.2 m-85 -104.46 141.45 36.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 73' ' ' LEU . 48.7 t -78.22 107.84 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mmtp -115.73 151.74 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.39 54.65 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.32 95.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -39.77 116.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.14 53.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 m -151.44 172.62 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG23 ' HE ' ' A' ' 69' ' ' ARG . 13.9 p -44.16 -25.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.36 -61.38 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HE ' HG23 ' A' ' 66' ' ' VAL . 14.2 ptt180 -49.24 -35.84 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ARG . 18.6 t0 -46.12 -21.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ASP . 3.8 pt20 35.29 29.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 mpt_? -130.88 -34.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 58' ' ' VAL . 2.3 tt -94.62 123.79 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -107.16 151.73 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 156.87 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 60.55 33.92 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -96.87 122.56 39.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.543 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 14.0 tt0 -82.77 121.34 26.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.891 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.5 mp -82.01 108.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -76.49 -33.23 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -149.47 147.35 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.695 HG12 HD22 ' A' ' 109' ' ' LEU . 33.1 mt -126.22 114.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 63.22 47.77 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.0 t60 64.06 54.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 35.4 m -162.9 109.29 1.04 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.4 Cg_endo -69.69 142.56 48.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 96' ' ' ALA . 23.4 mt -90.27 38.8 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ASN . 14.5 p-10 -57.43 176.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.738 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.1 pt20 -41.09 -24.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 5.1 m120 -61.71 -57.32 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.2 mt -92.99 135.84 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.3 m -91.85 178.58 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.544 ' HB3' HG21 ' A' ' 54' ' ' VAL . 3.1 p-80 -59.07 -40.76 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 30.0 mt-30 -56.72 -66.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB2' HG23 ' A' ' 91' ' ' ILE . 36.7 mt-30 -41.72 -43.36 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 87' ' ' LEU . . . -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.08 -38.13 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 102' ' ' GLN . . . -59.97 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.8 mt -38.23 -35.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' A' ' 39' ' ' LEU . 63.3 mt -71.21 -64.2 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.33 -6.52 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 103' ' ' THR . 3.5 mt-30 -86.47 -75.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.527 HG21 HD13 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -32.02 147.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 104' ' ' THR . 19.1 m -125.91 14.22 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -152.64 -147.85 4.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 105' ' ' GLY . 18.7 p -37.0 118.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 103' ' ' THR . 52.7 tp -124.07 119.17 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -113.25 127.22 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 82' ' ' ILE . 42.9 mt -123.88 110.55 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.13 103.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -106.36 161.16 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -128.62 159.47 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.13 116.68 66.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -180.0 3.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.37 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -130.03 171.3 12.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 t -72.52 141.39 48.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -174.72 155.99 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.5 t -80.44 96.81 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -174.27 133.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.8 p -92.88 137.6 32.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.3 m -83.65 173.8 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.72 135.59 5.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -173.72 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.25 . . . . 0.0 112.332 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.9 t -144.87 162.36 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.7 m -99.15 -55.21 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -148.13 153.13 38.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 p -126.13 82.74 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.57 77.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -100.92 81.22 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m 63.25 42.95 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.71 166.81 28.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.51 172.37 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.08 -126.95 2.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -48.16 -59.77 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -96.5 142.22 28.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 -110.86 165.64 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -45.03 -35.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.4 -30.63 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.2 t -78.19 -49.45 13.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.612 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.9 p -54.02 -44.99 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 81' ' ' ALA . 33.0 mm -64.19 -48.11 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -61.44 -31.25 71.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -75.04 -37.2 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.612 ' SD ' HG22 ' A' ' 16' ' ' VAL . 44.3 mtp -74.73 -34.83 62.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 64.22 38.48 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -28.95 9.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -41.36 140.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.7 tt0 -62.67 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.71 142.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -137.97 154.97 49.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.8 101.41 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.55 HG23 ' CG ' ' A' ' 71' ' ' GLN . 10.7 mm -89.18 109.3 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' N ' ' HG2' ' A' ' 71' ' ' GLN . 17.0 t0 -85.11 115.75 23.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.974 HD11 HD12 ' A' ' 73' ' ' LEU . 41.3 mt -112.27 135.45 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.81 99.41 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.47 HH11 HD21 ' A' ' 39' ' ' LEU . 8.5 mmm180 -43.93 118.25 2.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -164.82 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -93.39 -43.33 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.3 -47.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.62 151.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.0 72.89 2.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD21 HH11 ' A' ' 33' ' ' ARG . 0.7 OUTLIER 45.81 24.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.12 12.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.613 ' HE2' HD13 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -156.01 142.57 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -108.02 175.9 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.05 152.59 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.515 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 18.8 m -124.23 129.56 74.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 130.34 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.6 mt -145.99 107.32 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 1.9 tmm_? -44.6 115.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.2 t -72.91 123.17 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' SER . 29.8 mt-30 -33.69 -34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' SER . 72.4 m-20 -57.12 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.844 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -51.96 174.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.844 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.01 89.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' LEU . 5.2 ptmm? -164.98 146.33 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 93' ' ' HIS . 29.9 t -115.23 152.97 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 55.8 m-20 -109.96 119.38 39.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -92.24 116.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 85.6 m-85 -113.22 137.81 50.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 73' ' ' LEU . 60.5 t -78.92 114.12 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmmt -118.26 177.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.12 45.37 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 62' ' ' GLN . 80.2 t -67.42 85.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 61' ' ' VAL . 10.0 mm100 -34.39 116.46 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.58 5.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.56 49.76 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -143.95 179.22 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.945 0.402 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 7.8 p -42.56 -33.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.25 -41.69 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' ASP . 7.0 t0 -108.29 -67.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' ASP . 9.6 ptp180 -35.49 -31.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' ASP . 4.3 t70 -92.16 -70.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.55 ' CG ' HG23 ' A' ' 29' ' ' ILE . 3.3 tp60 -110.5 -174.59 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -111.12 28.97 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.974 HD12 HD11 ' A' ' 31' ' ' ILE . 2.5 tt -48.51 121.65 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' O ' HD23 ' A' ' 73' ' ' LEU . 3.1 mmmp? -88.48 157.73 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.11 153.5 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 58.64 42.47 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.6 113.77 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.481 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.7 tt0 -71.65 115.26 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' O ' HD12 ' A' ' 87' ' ' LEU . 21.7 mt -79.13 114.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.1 -43.38 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -142.18 153.0 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.71 HG12 HD22 ' A' ' 109' ' ' LEU . 73.5 mt -130.94 107.97 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.1 m120 62.77 46.7 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.8 t60 69.68 48.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 m -158.4 105.05 1.67 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.2 44.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 82' ' ' ILE . 16.6 mt -90.14 39.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 90' ' ' ASN . 28.9 t70 -64.67 173.21 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.565 ' CB ' HD21 ' A' ' 51' ' ' LEU . 4.0 pt20 -36.6 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' ASP . 3.9 m120 -54.27 -54.72 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.5 mt -98.65 142.63 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 m -94.15 -179.49 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.627 ' CE1' ' HG2' ' A' ' 94' ' ' GLN . 1.6 p80 -62.23 -41.88 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.627 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 5.3 mm-40 -56.24 -64.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.538 ' HB2' HG23 ' A' ' 91' ' ' ILE . 3.5 mp0 -44.43 -47.4 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.98 42.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 mt -59.89 -46.4 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.13 -58.17 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -37.94 -38.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.91 -55.89 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.2 -15.43 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 103' ' ' THR . 22.0 mt-30 -101.05 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.444 HG21 ' CD1' ' A' ' 107' ' ' LEU . 5.1 m -36.58 106.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 105' ' ' GLY . 14.5 m -87.92 160.18 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 59.07 -158.69 20.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.535 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 105' ' ' GLY . 1.7 m -32.24 146.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 103' ' ' THR . 55.8 tp -139.75 106.09 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.66 113.61 25.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.71 HD22 HG12 ' A' ' 82' ' ' ILE . 81.0 mt -116.82 117.75 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 81' ' ' ALA . 74.4 mt -87.42 101.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -107.68 154.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 162.38 13.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLN . 16.3 ttm-85 -132.94 153.13 51.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -112.04 134.05 21.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.58 10.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.0 t -138.61 141.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -99.79 -49.98 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -64.36 169.72 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -100.56 -178.73 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.8 m -147.08 172.78 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.3 p -164.12 169.63 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -145.21 155.87 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.6 p -174.83 127.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 142.55 87.97 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.5 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.755 2.303 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.9 p -138.67 178.7 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' GLY . 85.2 p -170.54 115.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -116.74 122.43 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 p -133.32 115.52 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.74 156.44 15.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -51.16 93.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -119.6 108.67 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.09 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.534 HD22 ' HA ' ' A' ' 12' ' ' ASP . 95.6 mt -148.26 116.2 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.24 -105.63 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -55.46 -57.35 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.17 119.82 39.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.534 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -94.9 159.06 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -43.12 -48.68 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -62.43 -29.5 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.3 t -76.95 -56.16 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -48.04 -45.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.441 ' CG2' HD13 ' A' ' 26' ' ' ILE . 32.1 mm -62.87 -50.51 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -59.82 -31.33 69.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.95 -37.92 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.716 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.7 mtp -73.93 -37.32 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -39.03 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.7 43.12 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.4 -29.39 8.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -41.41 136.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -61.84 109.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CG2' HG23 ' A' ' 110' ' ' ILE . 42.5 mt -85.14 144.41 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -140.91 137.04 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.6 108.84 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.533 HG21 ' HG ' ' A' ' 73' ' ' LEU . 13.9 mm -95.78 101.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.55 126.71 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.478 HG23 HG22 ' A' ' 66' ' ' VAL . 87.9 mt -120.73 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG21 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -77.04 92.49 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.506 HH11 HD21 ' A' ' 39' ' ' LEU . 4.8 mmm180 -50.19 119.3 10.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 54.1 Cg_endo -69.76 150.26 68.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 m -57.5 -50.07 74.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -84.57 25.03 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.45 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . 57.57 166.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.14 82.25 0.95 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.506 HD21 HH11 ' A' ' 33' ' ' ARG . 1.0 OUTLIER -60.46 -35.4 75.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.29 10.85 63.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.4 p90 -140.9 137.0 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -97.7 173.17 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.6 m -143.49 149.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -117.77 134.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.36 124.49 38.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.4 mt -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.9 tmm_? -40.64 123.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.0 t -67.64 178.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -100.59 -13.35 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.24 -72.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -176.29 144.01 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.34 80.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 19.1 ptmt -166.96 171.91 10.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.667 HG11 ' HB3' ' A' ' 93' ' ' HIS . 33.0 t -128.8 145.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.1 m-20 -107.43 114.7 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 93' ' ' HIS . 17.5 mm -88.13 104.75 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 78.8 m-85 -99.68 133.64 43.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.65 HG12 HG22 ' A' ' 61' ' ' VAL . 32.5 t -72.79 108.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.3 mmmt -113.18 161.86 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 51.23 51.5 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.65 HG22 HG12 ' A' ' 58' ' ' VAL . 93.1 t -75.41 92.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -54.09 120.14 23.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.27 44.38 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' VAL . 19.5 m -144.17 144.52 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG22 HG23 ' A' ' 31' ' ' ILE . 9.1 p -33.8 -37.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' SER . . . -35.53 -49.2 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.1 t0 -118.13 -59.34 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 21.0 ptt85 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.428 ' HB2' HG23 ' A' ' 66' ' ' VAL . 32.0 t70 -52.43 -64.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -131.79 -70.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.15 141.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.533 ' HG ' HG21 ' A' ' 29' ' ' ILE . 3.5 tt -168.88 129.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' HD23 ' A' ' 73' ' ' LEU . 4.8 mmmm -108.86 163.41 13.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.63 166.86 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 56.92 32.64 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 58' ' ' VAL . 27.6 m-20 -90.88 102.09 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.507 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.6 tt0 -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.49 HG21 ' CG1' ' A' ' 82' ' ' ILE . 79.1 mt -64.54 103.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.37 -47.53 55.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.42 153.06 51.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.608 HG23 ' CD2' ' A' ' 109' ' ' LEU . 74.2 mt -131.95 112.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.585 ' ND2' HG22 ' A' ' 82' ' ' ILE . 74.4 m-20 64.18 45.22 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t60 67.3 50.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.9 m -161.12 106.71 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 144.35 53.27 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.33 43.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' ASN . 36.5 t0 -65.08 174.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 13.7 pt20 -35.44 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' ASP . 39.1 m-20 -55.59 -57.51 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.7 mt -94.67 142.39 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 m -94.69 -176.2 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.667 ' HB3' HG11 ' A' ' 54' ' ' VAL . 2.4 p80 -64.66 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.89 -66.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.515 ' HB2' HG23 ' A' ' 91' ' ' ILE . 29.6 mt-30 -39.93 -47.16 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.02 -51.8 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -56.56 -45.08 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -51.62 -61.3 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.8 mt -35.5 -42.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 39' ' ' LEU . 10.8 mt -69.0 -46.69 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.5 mt-30 -75.17 -10.01 59.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' HG2' ' C ' ' A' ' 98' ' ' ALA . 1.0 OUTLIER -123.22 40.39 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.427 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.0 m -142.54 105.49 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -91.92 142.79 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 85.84 -174.71 48.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' GLY . 57.7 p -33.55 122.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.394 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.542 HD12 ' OD1' ' A' ' 83' ' ' ASN . 52.0 tp -112.1 103.32 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -80.42 127.22 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.608 ' CD2' HG23 ' A' ' 82' ' ' ILE . 66.0 mt -132.36 111.01 10.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.496 HG23 ' CG2' ' A' ' 26' ' ' ILE . 89.4 mt -86.53 100.32 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -105.58 158.22 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.452 ' NH2' HD11 ' A' ' 29' ' ' ILE . 11.0 mmt180 -133.56 157.67 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -115.19 130.34 24.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 177.74 5.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.22 126.63 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -115.74 -51.39 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.7 t -146.58 145.04 29.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -101.55 140.58 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.9 t -127.79 154.52 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -136.94 159.87 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 30.0 m -157.14 137.65 13.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -66.37 157.22 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.6 115.66 0.87 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.14 9.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.9 m -154.76 153.78 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -82.1 158.42 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.09 -33.59 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.7 -27.09 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -82.05 -48.44 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.707 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.1 p -52.28 -47.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -65.29 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.39 -21.68 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -86.62 -35.65 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.707 ' SD ' HG22 ' A' ' 16' ' ' VAL . 38.3 mtp -75.32 -34.87 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.32 -37.63 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.89 44.73 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -26.09 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -48.39 141.02 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.07 119.08 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 41.0 mt -93.86 138.66 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -131.56 141.51 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -97.05 101.62 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mm -89.32 101.17 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.15 117.54 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 1.035 HD11 HD12 ' A' ' 73' ' ' LEU . 29.2 mt -111.08 137.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -92.54 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.722 . . . . 0.0 110.886 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 12.14 84.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 5.9 p90 -142.48 157.88 44.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -114.11 174.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.19 151.36 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -120.71 140.73 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.97 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 mt -139.59 109.94 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 2.0 tmm_? -51.59 128.19 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.49 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 7.6 t -79.18 -176.74 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -105.69 -31.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -43.24 -58.53 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.3 tt -173.03 157.26 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . -27.17 90.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 51' ' ' LEU . 9.0 ptpt -162.03 173.85 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.734 HG11 ' HB3' ' A' ' 93' ' ' HIS . 16.0 t -130.88 132.82 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 77.2 m-20 -98.17 113.22 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 93' ' ' HIS . 18.9 mm -86.41 125.13 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 56.2 m-85 -120.96 140.29 52.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.834 HG21 HD21 ' A' ' 73' ' ' LEU . 48.0 t -77.11 114.05 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 10.4 mmmt -122.83 156.29 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.17 51.93 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.2 t -74.21 82.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 25.9 mt-30 -40.66 103.34 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' GLN . 53.5 Cg_endo -69.84 84.14 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.32 -21.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 p -79.55 177.27 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.822 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.035 HD12 HD11 ' A' ' 31' ' ' ILE . 1.8 tt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -95.12 161.34 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -78.97 159.82 27.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 59.21 37.0 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.47 ' HB3' HG11 ' A' ' 111' ' ' VAL . 27.8 m-20 -100.53 102.4 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 4.3 tt0 -61.69 111.91 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.44 HG21 ' CG1' ' A' ' 82' ' ' ILE . 12.3 mt -76.67 114.5 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.38 -44.77 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.62 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -141.19 151.87 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.522 HG12 HD22 ' A' ' 109' ' ' LEU . 74.2 mt -131.86 109.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.576 HD21 HD12 ' A' ' 107' ' ' LEU . 11.0 m120 64.51 47.11 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 66.87 47.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.9 m -159.12 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.05 49.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.86 33.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.7 t0 -58.31 174.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 4.8 pt20 -36.82 -33.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ASP . 17.3 m120 -53.52 -57.8 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.4 mt -92.29 135.4 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 -174.68 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.734 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.6 p-80 -68.42 -39.04 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.412 ' HG2' ' NE2' ' A' ' 93' ' ' HIS . 3.6 mm100 -58.75 -59.62 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.575 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.3 mt-30 -44.87 -45.71 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.65 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 HE21 ' A' ' 101' ' ' GLN . 14.2 mt -58.06 -45.14 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.739 ' HB1' ' OE1' ' A' ' 102' ' ' GLN . . . -52.46 -61.46 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.7 mt -37.61 -34.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.66 HD23 HD11 ' A' ' 107' ' ' LEU . 19.5 mt -79.06 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.444 HE21 HG22 ' A' ' 97' ' ' ILE . 33.6 mt-30 -58.06 -16.44 12.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.739 ' OE1' ' HB1' ' A' ' 98' ' ' ALA . 37.2 mt-30 -97.99 -66.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' GLN . 5.3 m -36.6 117.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 105' ' ' GLY . 15.5 m -111.82 167.96 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 104' ' ' THR . . . 70.08 -80.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 m -117.83 133.41 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.824 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.66 HD11 HD23 ' A' ' 100' ' ' LEU . 19.3 tp -129.28 109.94 11.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.9 ' O ' HD23 ' A' ' 109' ' ' LEU . 35.9 ttp180 -96.07 146.43 24.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.9 HD23 ' O ' ' A' ' 108' ' ' ARG . 41.9 mt -143.32 117.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 56.4 mt -94.91 100.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 77' ' ' ASP . 34.5 m -106.29 159.28 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.3 18.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -141.01 142.83 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.882 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' ASP . 14.1 t80 -34.13 -61.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 59.7 m-80 -53.52 -38.28 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -67.89 -56.7 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.613 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -54.17 -43.23 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 81' ' ' ALA . 28.3 mm -63.09 -49.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -58.57 -33.69 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 24.2 mm-40 -71.62 -38.95 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.613 ' SD ' HG22 ' A' ' 16' ' ' VAL . 26.3 mtp -72.25 -36.06 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.12 88.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 32.2 mm-40 62.45 46.99 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.14 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -45.59 143.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.22 116.58 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.87 144.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.85 130.2 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -85.98 102.25 13.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 73' ' ' LEU . 10.7 mm -94.01 111.48 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -99.55 119.64 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.444 HD12 HD12 ' A' ' 109' ' ' LEU . 80.7 mt -115.6 132.34 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' O ' HG21 ' A' ' 66' ' ' VAL . 16.9 mt-10 -92.37 96.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.918 0.39 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.07 13.19 40.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 3.7 p90 -142.09 131.81 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -90.82 172.55 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 m -140.83 156.67 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 m -122.6 139.91 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.45 121.66 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -139.62 113.15 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -58.09 138.44 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -84.72 163.94 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -83.04 -25.85 31.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -50.57 -66.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.867 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -172.36 -174.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.867 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.4 91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.2 ptmt -171.95 148.53 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 93' ' ' HIS . 12.0 t -119.4 137.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -101.02 112.67 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.776 HD11 ' HA ' ' A' ' 93' ' ' HIS . 20.5 mm -86.48 117.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 61.4 m-85 -110.62 143.32 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG12 ' CG2' ' A' ' 61' ' ' VAL . 64.8 t -79.07 109.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 19.8 mmmt -116.2 157.91 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.8 t70 55.53 53.12 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.841 HG23 ' OE1' ' A' ' 75' ' ' GLU . 37.2 t -74.36 107.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -57.87 115.45 11.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.27 8.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.07 67.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -168.64 170.93 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 32' ' ' GLU . 8.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 29' ' ' ILE . 2.3 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -108.21 168.14 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.841 ' OE1' HG23 ' A' ' 61' ' ' VAL . 1.4 tp10 -74.65 155.25 37.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 65.43 49.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.478 ' HB3' HG11 ' A' ' 111' ' ' VAL . 11.3 m-20 -106.3 99.15 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.9 tt0 -65.38 103.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.5 mt -69.53 106.16 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.37 -47.74 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -135.32 152.72 51.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 109' ' ' LEU . 86.0 mt -132.0 115.84 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.2 m120 59.84 43.47 15.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 70.35 46.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 39.9 m -154.82 106.86 2.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.2 Cg_endo -69.78 144.09 52.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' A' ' 96' ' ' ALA . 17.0 mt -93.52 48.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.3 p30 -72.28 173.64 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' HB3' HD21 ' A' ' 51' ' ' LEU . 16.4 pt20 -36.51 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -57.38 -48.8 78.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.622 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.3 mt -105.05 138.3 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -93.28 -174.8 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.776 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.6 p-80 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mt-30 -52.92 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' A' ' 91' ' ' ILE . 15.5 mp0 -39.09 -51.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.701 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -46.56 -51.38 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.11 -39.23 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.8 -65.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 40.5 mt -34.41 -37.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.643 ' HB3' HD11 ' A' ' 39' ' ' LEU . 33.1 mt -71.05 -49.21 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.8 mt-30 -74.23 -13.9 60.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 99' ' ' LEU . 5.3 pt20 -115.32 39.8 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.4 m -145.85 123.17 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.32 -177.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.87 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p -123.98 143.38 50.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 100' ' ' LEU . 66.6 tp -130.12 103.02 6.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.701 ' O ' HD23 ' A' ' 109' ' ' LEU . 6.6 ttm-85 -85.5 130.0 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 108' ' ' ARG . 56.0 mt -136.92 113.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -98.1 100.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 79' ' ' ILE . 34.4 m -105.02 157.85 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.56 163.76 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -144.82 133.8 22.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.9 p30 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.434 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 14.4 t80 -38.1 -55.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -57.93 -32.42 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -73.3 -55.64 6.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.719 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -51.7 -41.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 81' ' ' ALA . 34.5 mm -65.01 -51.53 65.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -58.66 -30.34 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -75.56 -37.95 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.719 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.7 mtp -75.1 -31.06 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.6 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 57.92 51.46 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 -33.69 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -42.66 137.11 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.86 115.56 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 34.5 mt -82.88 142.92 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -137.09 115.38 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -73.05 104.72 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 73' ' ' LEU . 24.5 mm -88.43 116.64 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.24 122.64 35.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.557 HD11 ' CD1' ' A' ' 73' ' ' LEU . 82.9 mt -123.28 128.15 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.47 100.01 12.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.839 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 1.1 mt . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.79 88.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.6 p90 -138.38 137.41 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -97.85 173.88 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.15 154.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 1.9 m -120.81 140.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.62 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.413 ' C ' HG13 ' A' ' 54' ' ' VAL . 33.0 mt -130.96 120.02 22.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -55.58 121.09 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -79.45 145.55 33.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -85.7 36.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 8.4 m120 -101.39 -73.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -173.41 105.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.457 ' N ' HD13 ' A' ' 51' ' ' LEU . . . 34.37 77.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 50' ' ' ASN . 7.5 ptpp? -171.43 157.08 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 93' ' ' HIS . 25.4 t -121.11 137.26 55.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -95.21 117.74 30.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 93' ' ' HIS . 31.3 mm -88.28 117.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -110.43 141.72 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.639 HG12 HG22 ' A' ' 61' ' ' VAL . 59.7 t -80.4 106.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 14.9 mmmt -111.08 164.72 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 50.85 48.32 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.639 HG22 HG12 ' A' ' 58' ' ' VAL . 77.0 t -71.8 96.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -49.75 122.65 13.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.11 54.99 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.9 m -151.54 160.04 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 8.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.557 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.5 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -104.96 164.31 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -74.2 163.99 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 59.82 25.16 14.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.433 ' HB3' HG11 ' A' ' 111' ' ' VAL . 40.4 m-20 -81.62 103.01 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.25 99.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 111' ' ' VAL . 31.3 mt -69.18 110.09 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.3 -50.29 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -132.09 150.5 52.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.781 HG12 HD22 ' A' ' 109' ' ' LEU . 89.0 mt -131.99 118.67 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.489 HD21 HG21 ' A' ' 103' ' ' THR . 22.6 m120 58.51 51.49 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 60.28 54.0 4.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.6 m -166.77 109.11 0.66 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.193 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.5 48.14 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.77 34.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -56.04 178.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.1 pp0? -43.18 -31.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.42 -41.73 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -109.13 139.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.8 m -96.39 -174.82 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.589 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.5 p-80 -61.08 -49.12 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 36.9 mt-30 -49.4 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 91' ' ' ILE . 15.8 mp0 -40.4 -48.77 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.42 -48.62 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.21 -40.68 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.533 ' HB1' ' OE1' ' A' ' 102' ' ' GLN . . . -52.59 -55.76 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.4 mt -43.63 -52.39 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 107' ' ' LEU . 44.9 mt -53.15 -57.49 10.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.53 -15.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.533 ' OE1' ' HB1' ' A' ' 98' ' ' ALA . 27.3 mt-30 -114.19 42.6 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.489 HG21 HD21 ' A' ' 83' ' ' ASN . 53.5 m -145.04 106.85 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.68 140.74 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -71.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.6 p -136.25 132.86 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.638 HD11 HD23 ' A' ' 100' ' ' LEU . 41.2 tp -123.0 101.77 7.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -98.33 112.34 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.781 HD22 HG12 ' A' ' 82' ' ' ILE . 42.3 mt -114.63 120.94 41.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 69.0 mt -96.25 102.43 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 79' ' ' ILE . 26.0 m -105.03 155.97 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.59 165.17 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -139.17 151.15 46.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.6 t80 -34.72 -60.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 62.4 m-80 -54.2 -36.67 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.6 t -68.77 -56.56 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.449 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -53.71 -42.99 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 81' ' ' ALA . 21.9 mm -64.87 -50.69 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -58.41 -25.79 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 13.5 mt-30 -78.68 -39.29 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.0 mtp -72.79 -34.9 67.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -77.23 -33.99 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.1 mm-40 62.23 45.28 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 -28.08 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -40.26 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.45 111.97 8.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 17' ' ' ILE . 43.5 mt -95.02 139.05 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -137.21 157.94 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -102.53 102.07 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.615 HG21 HD12 ' A' ' 73' ' ' LEU . 41.8 mm -88.06 101.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.82 102.07 13.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD11 HD12 ' A' ' 73' ' ' LEU . 96.8 mt -95.82 128.61 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.8 90.57 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.678 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 7.1 mmt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.678 HD21 ' CZ ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.029 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.53 19.49 79.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 58' ' ' VAL . 2.4 p90 -150.88 138.63 19.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -98.93 175.47 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.99 151.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.22 136.27 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.13 120.11 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.595 HD12 ' CD2' ' A' ' 57' ' ' PHE . 10.7 mt -136.56 109.44 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.8 tmm_? -46.86 126.9 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.492 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.1 t -83.43 174.03 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -101.54 -9.2 21.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -52.17 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.2 tm? -175.04 107.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 36.1 76.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -165.61 173.95 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -130.36 147.44 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -105.99 113.85 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.679 HD11 ' HA ' ' A' ' 93' ' ' HIS . 14.6 mm -86.82 117.18 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.595 ' CD2' HD12 ' A' ' 46' ' ' LEU . 90.3 m-85 -112.82 140.47 47.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.686 HG11 ' CD2' ' A' ' 73' ' ' LEU . 54.0 t -81.39 119.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -133.4 160.62 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t70 63.86 50.34 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.35 90.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -41.46 121.95 2.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.18 32.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.58 63.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -153.38 -178.61 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.686 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.3 tt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.72 167.62 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.39 153.74 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 61.52 24.91 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.1 m-20 -88.48 101.58 14.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -63.82 118.13 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.601 HG21 HG12 ' A' ' 82' ' ' ILE . 33.2 mt -78.77 102.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 21' ' ' ALA . 80.6 mt -68.89 -44.27 73.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 110' ' ' ILE . . . -137.77 153.84 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.601 HG12 HG21 ' A' ' 79' ' ' ILE . 62.0 mt -131.98 111.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 62.73 48.07 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t60 66.02 54.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.7 m -166.1 111.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 143.17 50.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.59 49.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' GLN . 11.2 t70 -72.48 175.82 5.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.3 pp0? -35.67 -37.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -50.37 -54.14 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.445 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.8 mt -95.6 135.76 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.5 m -90.53 -174.79 4.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.679 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.0 p-80 -65.83 -39.92 91.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.505 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 56.8 mt-30 -57.54 -62.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.4 mm-40 -44.8 -43.35 8.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.25 -47.68 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 mt -62.96 -38.93 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.69 -61.26 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -38.86 -27.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' ALA . 42.2 mt -80.73 -66.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -60.74 -12.09 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.467 HE21 ' HB1' ' A' ' 98' ' ' ALA . 24.1 mt-30 -114.12 44.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.0 m -153.94 108.88 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 105' ' ' GLY . 11.2 m -104.43 168.01 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 104' ' ' THR . . . 75.92 -83.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.426 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -118.36 146.56 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.4 tp -138.99 105.46 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.515 ' O ' HD23 ' A' ' 109' ' ' LEU . 7.2 ttm180 -91.48 130.86 37.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.543 ' CD2' HG23 ' A' ' 82' ' ' ILE . 49.4 mt -134.69 117.63 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 81' ' ' ALA . 98.8 mt -93.66 100.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.34 162.17 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.14 167.43 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.13 153.61 46.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.2 p30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 19.4 t80 -36.67 -56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 7.1 m-80 -57.48 -35.45 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -70.29 -56.96 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.672 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -51.29 -44.43 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 26' ' ' ILE . 38.4 mm -65.19 -47.6 86.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.21 -26.76 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.7 -36.73 37.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.672 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.1 mtp -76.11 -31.86 58.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -75.34 -42.64 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 63.26 48.84 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -39.32 3.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 58.4 mtm180 -38.81 138.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -68.07 116.67 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.555 ' CG2' HG23 ' A' ' 110' ' ' ILE . 31.8 mt -86.21 141.62 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -132.02 136.57 47.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -86.0 106.43 17.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 73' ' ' LEU . 16.2 mm -88.03 115.15 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -98.83 108.08 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.6 mt -105.97 133.32 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.809 ' O ' HG21 ' A' ' 66' ' ' VAL . 4.9 tt0 -93.33 95.95 9.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.457 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.6 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 65' ' ' SER . . . 91.17 6.27 66.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CD1' HG13 ' A' ' 58' ' ' VAL . 3.0 p90 -138.92 131.84 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 m -93.55 176.02 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 6.3 m -142.37 152.43 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 59' ' ' LYS . 6.6 m -119.34 149.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -108.02 126.72 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -137.78 107.58 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 48' ' ' SER . 5.2 tmm_? -51.05 128.73 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -89.42 151.37 22.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 50' ' ' ASN . 7.0 pt20 -76.25 -36.34 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 4.3 m120 -34.39 -61.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 52' ' ' GLY . 3.4 tt -175.23 159.22 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.635 ' N ' HD23 ' A' ' 51' ' ' LEU . . . -27.89 88.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.1 ptmm? -168.39 160.69 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 93' ' ' HIS . 12.6 t -122.75 145.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.4 112.23 24.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 93' ' ' HIS . 20.4 mm -86.3 123.11 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 78' ' ' GLN . 90.4 m-85 -115.1 140.48 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 41' ' ' PHE . 87.8 t -73.33 110.69 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 44' ' ' VAL . 9.2 mmmt -122.94 151.58 41.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 69.26 52.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.05 90.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.49 123.76 85.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.696 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.66 41.52 2.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.414 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 21.3 m -142.65 174.12 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.809 HG21 ' O ' ' A' ' 32' ' ' GLU . 10.1 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 29' ' ' ILE . 3.4 tt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -113.81 156.53 23.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 17.7 tt0 -65.36 171.92 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 12.5 p30 47.64 40.29 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.565 ' HB3' HG11 ' A' ' 111' ' ' VAL . 30.8 m-20 -93.63 106.57 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 57' ' ' PHE . 4.2 tt0 -64.4 94.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 109' ' ' LEU . 17.2 mt -64.87 106.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.94 -50.52 22.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.3 153.57 51.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.549 HG12 HD22 ' A' ' 109' ' ' LEU . 64.5 mt -132.07 119.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.8 m120 58.98 44.68 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 67.48 54.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 93.2 m -164.77 111.28 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.7 Cg_endo -69.78 144.51 54.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 mt -97.23 44.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' ASN . 7.5 p-10 -72.41 -175.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -41.13 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' ASP . 92.2 m-20 -61.01 -56.0 26.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 95' ' ' GLN . 4.0 mt -102.34 136.87 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m -87.67 -175.46 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.825 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.7 p-80 -65.23 -40.5 94.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 9.5 mm-40 -56.85 -65.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.539 ' HB2' HG23 ' A' ' 91' ' ' ILE . 8.5 mm-40 -41.83 -44.92 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.66 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.05 -41.31 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -57.47 -61.21 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.9 mt -37.92 -44.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HB3' HD11 ' A' ' 39' ' ' LEU . 16.5 mt -66.62 -46.55 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -71.39 -13.19 61.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -119.73 42.48 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.613 HG21 HD13 ' A' ' 107' ' ' LEU . 3.1 m -103.59 147.87 26.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 106' ' ' SER . 1.1 p -131.6 172.12 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.94 -89.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 t -120.42 152.97 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 109' ' ' LEU . 42.7 tp -122.08 104.47 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.797 ' O ' HD23 ' A' ' 109' ' ' LEU . 7.3 ttm180 -96.92 130.32 44.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 108' ' ' ARG . 30.0 mt -133.37 122.47 23.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.555 HG23 ' CG2' ' A' ' 26' ' ' ILE . 87.8 mt -97.06 102.95 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 77' ' ' ASP . 32.6 m -105.07 159.86 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.32 161.06 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -142.17 157.3 45.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.852 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.1 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.8 -32.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -76.08 -34.85 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ASP . 8.4 t -73.31 -53.58 10.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.0 -45.45 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 81' ' ' ALA . 29.7 mm -65.25 -48.86 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -61.05 -18.95 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.18 -34.55 20.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.9 mtp -80.02 -33.11 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.64 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 53.52 38.53 28.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.22 -25.36 14.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -49.48 141.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 118.22 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -84.85 145.49 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -138.74 126.7 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -86.98 101.73 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.426 HD11 HH21 ' A' ' 113' ' ' ARG . 7.7 mm -89.95 106.74 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -89.98 102.84 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.779 HD11 ' CD1' ' A' ' 73' ' ' LEU . 47.7 mt -98.29 128.76 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ARG . 5.5 mt-10 -77.92 78.53 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' NH1' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.687 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.4 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' CB ' ' A' ' 65' ' ' SER . . . 89.42 4.23 74.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.9 p90 -134.89 135.96 42.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -94.5 172.91 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.4 141.38 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m -110.75 133.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.521 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -93.46 126.73 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD12 ' CD1' ' A' ' 57' ' ' PHE . 14.3 mt -139.32 108.61 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 48' ' ' SER . 3.8 tmm_? -51.45 124.12 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.467 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -76.29 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -90.46 -35.97 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -39.04 -59.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -174.19 -176.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.831 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -46.15 89.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.5 ptmt -165.92 164.05 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.686 HG11 ' HB3' ' A' ' 93' ' ' HIS . 21.5 t -123.2 145.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -105.36 109.46 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' A' ' 93' ' ' HIS . 12.1 mm -87.5 120.75 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 78' ' ' GLN . 82.1 m-85 -116.18 155.18 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.5 t -83.16 113.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 25.1 mmtt -131.25 144.65 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 75.03 49.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.2 94.64 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -62.48 133.52 94.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.08 37.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.5 60.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.483 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 1.3 p -162.03 162.82 28.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.779 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.4 tt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.362 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -109.83 161.03 15.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 9.6 tt0 -66.32 174.92 2.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 9.6 p30 45.81 44.19 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 58' ' ' VAL . 10.2 m-20 -106.67 106.19 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.54 ' OE1' HD23 ' A' ' 80' ' ' LEU . 1.7 tm0? -69.25 117.31 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.58 106.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.54 HD23 ' OE1' ' A' ' 78' ' ' GLN . 46.9 mt -72.57 -43.02 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.537 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -141.83 153.81 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.567 HG12 HD22 ' A' ' 109' ' ' LEU . 62.4 mt -131.65 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.27 48.62 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.1 t60 64.62 51.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -160.98 114.36 1.31 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.36 50.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 96' ' ' ALA . 2.2 mt -98.75 41.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLN . 18.3 p-10 -76.31 -175.23 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.58 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.3 pt20 -34.52 -42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 5.9 m-20 -49.41 -53.47 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.1 mt -100.33 142.79 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -100.59 -175.17 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.89 ' HA ' HD11 ' A' ' 56' ' ' ILE . 2.9 p-80 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 46.5 mt-30 -55.5 -56.33 21.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.46 ' HB2' HG23 ' A' ' 91' ' ' ILE . 32.6 mt-30 -49.98 -49.65 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -48.34 -45.23 35.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 100' ' ' LEU . 19.4 mt -62.49 -45.72 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.36 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.5 mt -39.12 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB3' HD11 ' A' ' 39' ' ' LEU . 6.5 mt -85.28 -63.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.9 -11.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' THR . 17.1 mt-30 -101.77 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' GLN . 2.3 m -33.32 135.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -125.62 147.98 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.32 -89.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -109.06 135.81 49.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 tp -123.32 103.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.605 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.8 ttm105 -97.64 132.3 43.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 108' ' ' ARG . 26.7 mt -133.03 131.19 40.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 81' ' ' ALA . 77.3 mt -107.25 100.65 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.1 m -105.06 156.77 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -110.71 162.41 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.426 HH21 HD11 ' A' ' 29' ' ' ILE . 11.9 mtt180 -140.98 147.72 39.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.9 p-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -40.61 -51.07 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -61.61 -33.02 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.4 t -74.37 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.77 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.7 p -45.72 -46.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.781 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.8 mm -61.87 -51.76 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -58.51 -32.67 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.79 -41.17 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.77 ' SD ' HG22 ' A' ' 16' ' ' VAL . 21.9 mtp -69.36 -37.53 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -34.97 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 58.99 42.1 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.54 -28.12 9.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -46.41 137.4 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.0 tt0 -62.14 114.14 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 17' ' ' ILE . 47.3 mt -87.47 142.24 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -137.29 127.07 25.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -76.58 101.45 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG21 ' HG ' ' A' ' 73' ' ' LEU . 33.6 mm -93.49 104.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.33 136.16 33.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.617 HD11 ' CD1' ' A' ' 73' ' ' LEU . 96.7 mt -132.2 131.17 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG21 ' A' ' 66' ' ' VAL . 11.3 mt-10 -88.89 97.63 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.901 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.09 65.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.3 p90 -141.93 132.03 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 m -90.58 165.77 13.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 56' ' ' ILE . 28.9 m -136.05 147.2 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -116.79 134.5 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.39 115.71 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' C ' HG13 ' A' ' 54' ' ' VAL . 26.9 mt -135.72 116.02 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -44.59 121.76 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.22 163.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -94.93 38.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -115.61 -77.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.874 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.19 132.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 26.73 75.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.436 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -174.62 162.33 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 55' ' ' ASP . 42.7 t -124.97 155.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.546 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 18.4 m-20 -113.46 119.08 36.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.427 HG23 ' HB ' ' A' ' 43' ' ' VAL . 24.1 mm -89.96 111.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 79.6 m-85 -108.36 140.17 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG12 HG22 ' A' ' 61' ' ' VAL . 97.1 t -77.96 110.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -114.29 155.06 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t0 58.25 49.85 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.644 HG22 HG12 ' A' ' 58' ' ' VAL . 85.1 t -70.34 91.76 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.6 118.81 28.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.9 27.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.27 38.23 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' VAL . 82.4 p -137.04 146.21 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' SER . 10.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.617 ' CD1' HD11 ' A' ' 31' ' ' ILE . 1.6 tt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.6 mmmp? -113.03 162.63 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -80.74 160.43 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 60.04 32.48 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -92.06 106.39 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.562 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 3.5 tt0 -70.59 111.45 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.63 108.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.88 -47.84 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.781 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -134.17 153.47 51.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.776 HG22 ' ND2' ' A' ' 83' ' ' ASN . 36.6 mt -132.11 123.81 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.776 ' ND2' HG22 ' A' ' 82' ' ' ILE . 21.0 p30 47.13 47.55 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 67.6 54.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 20.8 m -163.33 105.23 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.155 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.6 Cg_endo -69.77 142.29 47.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.653 HD21 HD12 ' A' ' 82' ' ' ILE . 17.8 mt -94.95 43.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.82 177.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -43.3 -26.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.08 -48.23 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.401 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -95.76 130.29 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m -88.03 -175.1 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.454 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.5 p-80 -63.73 -42.57 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 38.5 mt-30 -54.49 -64.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.5 mm100 -42.59 -48.44 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.63 -52.39 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.439 HG22 ' HG3' ' A' ' 101' ' ' GLN . 18.6 mt -56.68 -46.63 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.86 65.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.6 mt -47.01 -45.17 20.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.447 ' HB3' HD11 ' A' ' 39' ' ' LEU . 12.6 mt -73.57 -49.72 24.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.439 ' HG3' HG22 ' A' ' 97' ' ' ILE . 22.1 mt-30 -64.21 -13.91 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 103' ' ' THR . 30.6 mt-30 -105.42 -68.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.5 m -34.85 118.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.47 175.74 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 44.16 -159.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' GLY . 76.5 p -33.91 133.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -133.44 103.11 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -82.31 126.1 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 31' ' ' ILE . 72.1 mt -125.67 114.89 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 90.9 mt -92.47 99.97 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.3 m -105.29 158.26 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.42 156.35 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' GLN . 21.7 ttm-85 -126.92 155.49 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 110.868 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -47.75 -43.17 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -67.43 -23.83 65.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 -54.44 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -48.82 -44.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 81' ' ' ALA . 29.1 mm -64.6 -43.31 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -65.41 -26.93 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.2 -36.35 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.621 ' SD ' HG22 ' A' ' 16' ' ' VAL . 39.0 mtp -75.23 -34.11 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.61 69.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 55.99 46.18 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 -26.95 6.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -48.6 142.6 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.58 115.86 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -85.27 141.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' NE ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -133.43 144.74 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -96.61 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.488 HD11 HH21 ' A' ' 113' ' ' ARG . 22.2 mm -91.59 101.14 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -87.9 103.54 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 73' ' ' LEU . 80.5 mt -96.93 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -105.36 97.21 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD3' HD21 ' A' ' 39' ' ' LEU . 8.9 mmm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.9 10.92 68.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.7 p90 -142.97 135.71 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -99.82 176.09 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.67 154.13 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 4.3 m -120.8 142.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.31 122.3 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.443 HD12 ' CD2' ' A' ' 57' ' ' PHE . 23.5 mt -135.05 110.21 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -56.65 119.96 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.1 t -75.39 132.38 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -39.04 -28.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' SER . 25.3 t30 -61.6 -175.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -53.26 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.706 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -48.06 90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.5 ptmt -159.54 145.4 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 93' ' ' HIS . 10.5 t -117.69 149.06 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 7.1 m-20 -108.44 121.8 45.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.853 HD11 ' HA ' ' A' ' 93' ' ' HIS . 25.3 mm -95.2 115.81 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CD2' HD12 ' A' ' 46' ' ' LEU . 82.6 m-85 -112.23 157.38 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.448 HG12 ' CG2' ' A' ' 61' ' ' VAL . 76.1 t -88.89 119.2 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 18.3 mmmt -128.34 167.91 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.06 49.53 20.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG2' HG12 ' A' ' 58' ' ' VAL . 93.2 t -74.06 94.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.21 124.74 67.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.03 4.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.0 56.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 m -164.23 166.63 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' SER . 1.7 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.1 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -103.29 164.76 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.46 164.88 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 62.06 26.86 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.4 m-20 -87.19 100.92 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.473 ' OE1' ' CD2' ' A' ' 80' ' ' LEU . 3.0 tm0? -67.63 105.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.15 108.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 112' ' ' ALA . 20.5 mt -74.25 -43.86 55.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -140.87 153.36 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.537 HG12 HD22 ' A' ' 109' ' ' LEU . 73.1 mt -130.17 108.82 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.679 HD21 HD12 ' A' ' 107' ' ' LEU . 10.0 m120 58.99 53.46 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.421 ' HB2' ' NH2' ' A' ' 108' ' ' ARG . 8.2 t-80 64.42 52.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.7 m -162.63 105.41 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.73 48.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -98.28 49.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.5 p30 -81.97 -174.99 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.667 ' HB3' HD21 ' A' ' 51' ' ' LEU . 12.0 pt20 -39.09 -29.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 88' ' ' ASP . 54.3 m-20 -58.38 -57.39 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -99.87 138.32 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 m -88.8 -174.55 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.853 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.5 p-80 -63.67 -47.39 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.617 ' CD ' ' CE1' ' A' ' 93' ' ' HIS . 28.3 mp0 -49.13 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.632 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.5 mp0 -39.61 -51.18 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.458 ' CB ' HG13 ' A' ' 56' ' ' ILE . . . -47.05 -46.64 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -63.89 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -56.1 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 mt -39.03 -36.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -76.66 -63.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.87 -14.94 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.49 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.407 HG21 ' OD1' ' A' ' 83' ' ' ASN . 4.4 m -42.56 112.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -91.87 151.96 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 69.28 -162.02 51.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 105' ' ' GLY . 11.1 m -34.47 118.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.679 HD12 HD21 ' A' ' 83' ' ' ASN . 47.1 tp -115.81 104.48 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.721 ' O ' HD23 ' A' ' 109' ' ' LEU . 46.7 ttp180 -82.12 141.85 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 108' ' ' ARG . 64.1 mt -142.73 110.89 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -88.03 100.52 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.1 158.85 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.549 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -114.52 155.27 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.488 HH21 HD11 ' A' ' 29' ' ' ILE . 14.9 mtt180 -135.4 145.71 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.866 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.438 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.3 t80 -37.83 -39.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.82 -40.97 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.2 t -65.0 -52.55 55.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.682 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -49.79 -47.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 81' ' ' ALA . 35.3 mm -60.72 -49.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -59.68 -36.71 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -69.41 -34.97 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.682 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.5 mtp -77.9 -30.68 50.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.28 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.41 43.49 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.89 -25.01 7.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -47.19 140.46 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.63 111.55 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 28.6 mt -83.78 145.09 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -136.38 131.6 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -89.62 105.96 18.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 mm -93.05 101.4 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -84.23 103.46 13.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.27 136.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -110.74 101.99 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 5.1 mmm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 2.3 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.66 5.09 90.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CE2' HD13 ' A' ' 39' ' ' LEU . 5.1 p90 -133.27 130.93 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -94.3 176.01 6.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -144.96 165.39 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 4.5 m -130.86 145.6 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -100.53 121.38 41.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.67 HD12 ' CD2' ' A' ' 57' ' ' PHE . 8.7 mt -139.05 110.53 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -53.72 136.39 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 t -90.68 129.91 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -48.34 -34.04 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -39.06 -71.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.8 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -170.15 -174.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.8 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -42.43 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' LEU . 18.5 ptmt -172.45 162.38 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 93' ' ' HIS . 13.2 t -130.96 138.34 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-20 -99.97 114.85 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 93' ' ' HIS . 45.4 mm -86.55 105.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.67 ' CD2' HD12 ' A' ' 46' ' ' LEU . 86.3 m-85 -97.84 140.66 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 61' ' ' VAL . 56.1 t -77.03 106.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -113.2 153.35 28.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.42 54.28 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG22 HG12 ' A' ' 58' ' ' VAL . 84.8 t -75.64 102.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.52 122.9 63.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.56 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.32 40.98 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 m -127.37 169.37 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.5 tt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -99.15 165.4 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.05 167.55 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 54.69 30.46 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -86.54 101.12 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.0 tt0 -63.41 109.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.563 HG21 ' CG1' ' A' ' 82' ' ' ILE . 28.4 mt -75.29 110.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.23 -45.83 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -137.47 149.96 47.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.663 HG12 HD22 ' A' ' 109' ' ' LEU . 95.1 mt -131.94 116.99 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 m120 61.26 45.14 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 66.46 54.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m -166.16 112.37 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.21 45.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' GLN . 24.6 t0 -67.73 173.82 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' HB3' HD21 ' A' ' 51' ' ' LEU . 8.5 pt20 -34.26 -42.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -46.65 -59.31 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.422 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -90.02 133.49 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 m -90.31 -176.57 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.655 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.3 p-80 -63.91 -40.07 95.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.492 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 47.0 mt-30 -59.46 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HB2' HG23 ' A' ' 91' ' ' ILE . 12.5 mt-30 -45.74 -45.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.17 61.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.1 -45.05 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB1' HE21 ' A' ' 102' ' ' GLN . . . -52.12 -50.51 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -48.98 -36.61 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' A' ' 39' ' ' LEU . 24.9 mt -72.65 -59.08 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -65.42 -14.35 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.477 HE21 ' HB1' ' A' ' 98' ' ' ALA . 29.5 mt-30 -114.76 47.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -154.73 108.81 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.15 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.56 -77.77 2.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.3 p -126.13 142.48 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 tp -139.01 106.5 5.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.688 ' O ' HD23 ' A' ' 109' ' ' LEU . 8.8 ttm180 -100.54 133.01 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 108' ' ' ARG . 30.8 mt -133.69 124.46 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 81' ' ' ALA . 33.1 mt -100.42 100.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 79' ' ' ILE . 19.1 m -105.02 158.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.33 165.98 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -137.07 153.14 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.9 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.843 0.354 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.7 t80 -37.12 -59.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -55.68 -31.53 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.5 t -73.4 -54.7 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.6 p -54.89 -44.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.742 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -64.72 -51.04 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -59.81 -32.43 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -74.04 -40.19 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 16' ' ' VAL . 55.5 mtp -69.96 -36.24 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 -34.4 72.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 60.74 47.96 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.12 -28.49 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -45.54 132.98 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -62.74 115.01 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 43.5 mt -86.55 141.9 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.87 122.65 23.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.33 102.56 3.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.582 HG21 ' CD1' ' A' ' 73' ' ' LEU . 21.7 mm -90.05 101.78 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 116.29 27.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.659 HD11 ' CD1' ' A' ' 73' ' ' LEU . 97.6 mt -115.13 127.53 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -89.3 99.98 12.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 7.5 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.7 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.61 11.64 72.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.5 p90 -140.99 143.01 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -100.86 175.12 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.26 150.31 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.7 m -120.65 135.53 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 120.01 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.9 mt -133.96 118.76 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.6 tmm_? -61.03 120.27 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 2.0 t -77.24 136.62 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -39.5 -35.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.85 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.822 HD21 ' HB2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -51.62 -179.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.785 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -46.76 89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' LEU . 7.3 ptpt -155.82 153.22 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 93' ' ' HIS . 10.9 t -120.94 155.32 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 69.5 m-20 -119.59 113.84 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 93' ' ' HIS . 27.5 mm -86.28 126.74 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 32.8 m-85 -119.23 147.9 43.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.646 HG11 HD21 ' A' ' 73' ' ' LEU . 86.0 t -82.35 108.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -119.49 166.03 13.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 51.09 54.48 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.54 82.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -47.05 118.86 5.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 45.71 1.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -147.92 172.34 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.163 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.659 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.5 tt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.915 0.388 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -112.73 163.78 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 58.5 tt0 -69.2 159.72 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 75.2 m-80 63.2 34.6 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HB3' HG11 ' A' ' 111' ' ' VAL . 7.0 m-20 -94.8 99.97 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.566 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -63.51 109.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.416 HG21 ' CG1' ' A' ' 82' ' ' ILE . 26.1 mt -74.14 106.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 112' ' ' ALA . 83.3 mt -74.68 -47.34 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.742 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -137.18 152.82 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 109' ' ' LEU . 87.7 mt -132.4 112.97 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.3 45.35 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 69.14 42.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.2 m -151.95 105.0 2.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.18 44.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 96' ' ' ALA . 21.6 mt -92.2 38.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -58.68 179.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.822 ' HB2' HD21 ' A' ' 51' ' ' LEU . 6.0 pt20 -44.16 -29.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 8.9 m120 -55.68 -57.34 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -91.2 143.88 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.825 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.2 p-80 -59.38 -39.44 83.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.412 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 59.2 mt-30 -60.81 -62.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 91' ' ' ILE . 12.3 mt-30 -44.8 -41.88 7.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -54.58 -49.8 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.96 -45.01 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -48.65 -61.36 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.4 mt -35.52 -41.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.526 HD22 HD21 ' A' ' 107' ' ' LEU . 18.7 mt -69.53 -47.43 63.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ALA . 32.0 mt-30 -69.18 -19.69 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -113.62 50.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.1 m -158.93 110.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.18 160.88 20.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.75 -61.42 3.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.0 m -143.79 137.44 28.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.9 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD21 HD22 ' A' ' 100' ' ' LEU . 48.2 tp -132.9 101.47 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 104.87 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.527 ' CD2' HG23 ' A' ' 82' ' ' ILE . 47.6 mt -107.21 119.15 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 79.5 mt -96.81 104.45 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 77' ' ' ASP . 15.7 m -104.85 166.98 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.588 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -115.76 167.6 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -144.81 153.52 41.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 4.8 t80 -43.14 -38.72 2.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.7 t -72.81 -51.31 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.689 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -50.23 -44.13 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 81' ' ' ALA . 34.5 mm -60.58 -53.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -55.49 -37.52 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.92 -34.15 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.689 ' SD ' HG22 ' A' ' 16' ' ' VAL . 25.0 mtp -81.89 -29.94 32.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -73.2 -34.47 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 62.84 42.41 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.27 -24.59 8.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 55.9 mtm180 -47.97 147.28 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -70.97 114.62 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 17' ' ' ILE . 53.1 mt -85.22 142.8 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -137.09 130.77 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 104.59 14.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mm -88.08 116.45 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -99.03 116.06 30.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.497 HD11 HD12 ' A' ' 73' ' ' LEU . 88.6 mt -119.35 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.88 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.679 HH11 HD21 ' A' ' 39' ' ' LEU . 3.9 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.679 HD21 HH11 ' A' ' 33' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.46 11.86 63.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 2.5 p90 -148.22 128.82 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -89.01 175.14 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.11 146.74 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.0 m -114.68 146.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.16 126.92 50.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 57' ' ' PHE . 8.9 mt -140.52 108.02 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -50.84 122.61 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 3.8 t -76.06 144.37 40.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 40.5 mt-30 -67.77 -38.15 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 71.9 m-20 -34.46 -69.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -168.72 -178.57 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.779 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -40.2 91.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' LEU . 14.9 ptmt -173.31 164.15 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.78 HG11 ' HB3' ' A' ' 93' ' ' HIS . 24.7 t -122.3 149.33 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.548 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.5 m-20 -108.78 110.59 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.966 HD11 ' HA ' ' A' ' 93' ' ' HIS . 10.6 mm -89.21 123.38 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 80.3 m-85 -119.66 160.19 22.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.596 HG21 HD21 ' A' ' 73' ' ' LEU . 99.1 t -90.75 115.76 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmtt -126.62 153.02 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.86 48.44 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.472 HG22 HG12 ' A' ' 58' ' ' VAL . 57.7 t -70.02 100.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.94 112.62 9.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.04 15.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.36 39.13 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.2 m -138.63 172.73 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 58' ' ' VAL . 2.4 tt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.868 0.366 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.33 155.77 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.76 158.24 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 63.01 31.0 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.486 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.7 m-20 -90.64 107.19 19.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.529 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 6.0 tt0 -70.56 113.37 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.654 ' O ' HD12 ' A' ' 87' ' ' LEU . 52.7 mt -74.66 108.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 112' ' ' ALA . 78.3 mt -75.41 -50.87 14.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.628 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -135.38 150.88 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.803 HG23 ' CD2' ' A' ' 109' ' ' LEU . 68.4 mt -130.04 114.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.517 HD21 HD12 ' A' ' 107' ' ' LEU . 1.4 m-80 62.64 46.38 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 13' ' ' PHE . 3.2 t-160 66.1 48.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.6 m -157.54 111.39 1.84 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 143.66 51.45 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 79' ' ' ILE . 25.6 mt -92.83 29.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -54.21 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.583 ' HB3' HD21 ' A' ' 51' ' ' LEU . 2.0 pp0? -42.43 -45.14 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -44.67 -58.38 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.1 mt -91.89 135.77 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -97.51 -174.59 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.966 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.0 p-80 -60.39 -47.18 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.567 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 50.9 mt-30 -50.69 -67.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.519 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.4 mp0 -40.06 -50.58 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.576 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -48.86 -47.97 42.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 mt -58.72 -48.3 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.29 -56.2 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -42.14 -35.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.617 ' HB3' HD11 ' A' ' 39' ' ' LEU . 20.1 mt -78.6 -60.42 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -58.59 -12.61 4.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' THR . 33.6 mt-30 -102.92 -64.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.456 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 m -34.52 136.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -127.84 173.59 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.96 -93.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.3 p -101.94 131.7 48.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.94 0.4 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD12 HD21 ' A' ' 83' ' ' ASN . 40.9 tp -124.93 108.06 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -97.82 126.48 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.803 ' CD2' HG23 ' A' ' 82' ' ' ILE . 38.6 mt -129.69 124.26 33.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.44 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 75.9 mt -98.03 100.33 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 79' ' ' ILE . 33.5 m -105.52 157.88 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -114.62 151.6 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 4.4 ptp180 -142.18 148.95 39.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.98 -48.34 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.91 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.5 t -75.34 -54.97 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.643 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -48.87 -43.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.574 HD11 ' HB2' ' A' ' 81' ' ' ALA . 44.1 mm -65.91 -48.05 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -61.97 -24.34 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.23 -34.04 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.643 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.6 mtp -82.1 -26.32 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.95 -34.27 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 56.37 48.41 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.3 -36.4 3.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -39.6 135.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -61.5 119.15 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.539 ' CG2' HG23 ' A' ' 110' ' ' ILE . 48.0 mt -86.97 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -131.67 156.62 45.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -111.9 108.02 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.537 HD11 HH21 ' A' ' 113' ' ' ARG . 8.0 mm -96.58 105.54 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.86 101.76 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.52 HD11 ' CD1' ' A' ' 73' ' ' LEU . 83.6 mt -96.16 135.36 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.62 107.93 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.849 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.77 1.35 83.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.437 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CD1' HG13 ' A' ' 58' ' ' VAL . 4.0 p90 -134.01 137.61 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -98.89 175.41 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.77 -179.78 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -146.79 148.62 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.461 ' CB ' ' CG ' ' A' ' 93' ' ' HIS . . . -104.15 126.98 51.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -143.67 109.6 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -46.11 116.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -62.23 168.52 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.23 13.85 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.2 -76.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.87 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.18 132.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 23.27 67.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 10.4 ptmt -162.85 149.74 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 93' ' ' HIS . 21.8 t -114.81 152.67 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 68.6 m-20 -110.15 124.9 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.863 HD11 ' HA ' ' A' ' 93' ' ' HIS . 22.7 mm -97.93 111.86 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 53.7 m-85 -107.78 148.3 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.505 HG21 HD21 ' A' ' 73' ' ' LEU . 47.8 t -80.21 118.87 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 11.7 mmmt -125.62 148.73 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.76 53.9 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.443 HG22 HG12 ' A' ' 58' ' ' VAL . 98.3 t -74.95 101.73 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -57.32 113.98 7.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.6 5.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.63 -41.84 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -50.16 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.52 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.4 tt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -99.42 165.68 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.59 173.33 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.8 m120 49.25 29.46 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' A' ' 113' ' ' ARG . 8.6 m-20 -86.61 109.38 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.85 106.25 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.9 mt -70.86 110.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.42 -46.82 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -140.73 153.78 46.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.6 mt -129.72 107.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.7 ' ND2' HD12 ' A' ' 107' ' ' LEU . 1.9 m-80 62.99 54.68 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 60.56 48.85 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.7 m -159.12 105.0 1.55 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.3 47.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' CB ' ' A' ' 96' ' ' ALA . 2.5 mt -94.82 31.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ASN . 11.2 p30 -55.51 176.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' ASP . 16.5 pt20 -35.07 -34.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . 73.8 m-20 -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.427 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.3 mt -94.97 131.32 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m -84.01 -175.22 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.863 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.6 p-80 -64.51 -41.65 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.44 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.8 mt-30 -54.58 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.427 ' HB2' HG23 ' A' ' 91' ' ' ILE . 22.4 mm-40 -42.31 -44.69 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.414 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -50.7 -43.56 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.7 mt -66.27 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -60.35 -57.3 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.7 mt -37.46 -31.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.749 ' HB3' HD11 ' A' ' 39' ' ' LEU . 13.6 mt -83.81 -62.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.36 -15.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' THR . 13.9 mt-30 -99.74 -68.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.2 m -37.89 127.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.0 -176.83 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 39.82 -161.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 105' ' ' GLY . 2.8 m -31.93 139.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.851 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.7 HD12 ' ND2' ' A' ' 83' ' ' ASN . 51.0 tp -134.98 104.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.3 tmm_? -87.98 135.01 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 108' ' ' ARG . 49.0 mt -134.12 120.34 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.539 HG23 ' CG2' ' A' ' 26' ' ' ILE . 96.5 mt -92.19 100.24 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.02 160.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.8 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.537 HH21 HD11 ' A' ' 29' ' ' ILE . 15.0 mmt180 -134.0 164.83 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.2 t80 -47.19 -38.31 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -71.8 -34.09 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -72.68 -45.74 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.9 p -56.93 -45.37 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 HD13 ' A' ' 26' ' ' ILE . 29.6 mm -62.1 -50.55 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -58.78 -37.35 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.51 -37.36 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.716 ' SD ' HG22 ' A' ' 16' ' ' VAL . 30.5 mtp -73.82 -30.01 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.01 -33.2 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 61.19 38.82 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 -29.06 10.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.96 139.82 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -63.57 114.78 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.608 HD13 HG22 ' A' ' 17' ' ' ILE . 20.9 mt -86.91 140.16 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.39 126.4 33.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.425 ' CD2' HG12 ' A' ' 110' ' ' ILE . 19.5 m-85 -82.34 101.65 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 mm -89.76 101.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.18 104.91 17.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.406 HD11 HD12 ' A' ' 73' ' ' LEU . 37.8 mt -93.25 136.02 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.513 ' O ' HG21 ' A' ' 66' ' ' VAL . 4.8 tt0 -103.22 86.26 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 103' ' ' THR . 3.2 ttp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' CD2' ' HD2' ' A' ' 33' ' ' ARG . 1.3 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.94 12.68 80.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -108.11 173.11 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.2 m -141.18 149.26 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 3.0 m -118.35 144.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -104.38 120.26 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 57' ' ' PHE . 11.6 mt -133.74 109.41 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 1.9 tmm_? -56.25 128.05 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.489 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.9 t -79.71 176.1 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 43.7 tt0 -94.31 -39.86 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 26.3 m-20 -34.15 -64.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -173.21 -176.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.699 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -43.12 89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.5 ptmt -168.11 155.25 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' ' 93' ' ' HIS . 15.2 t -120.94 148.95 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -111.36 112.62 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 93' ' ' HIS . 26.1 mm -87.41 119.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 46' ' ' LEU . 69.3 m-85 -114.58 143.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.563 HG12 ' CG2' ' A' ' 61' ' ' VAL . 80.1 t -77.56 112.18 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 19.1 mmmt -121.29 152.24 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.21 54.41 3.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.563 ' CG2' HG12 ' A' ' 58' ' ' VAL . 64.1 t -80.04 103.34 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.49 128.55 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -11.87 31.82 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.8 68.69 0.54 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -158.08 150.51 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 32' ' ' GLU . 9.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CD2' HG11 ' A' ' 58' ' ' VAL . 3.0 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.365 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' HD23 ' A' ' 73' ' ' LEU . 59.8 mmtt -106.82 164.21 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -77.1 163.07 26.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 m120 58.01 40.38 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.573 ' OD2' HG21 ' A' ' 111' ' ' VAL . 7.2 m-20 -99.35 102.38 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 5.4 tt0 -64.26 99.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.496 ' HA ' HG12 ' A' ' 111' ' ' VAL . 59.7 mt -65.95 110.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.83 -49.26 14.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -134.97 151.24 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.905 HG23 ' CD2' ' A' ' 109' ' ' LEU . 67.9 mt -130.62 116.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.65 ' ND2' HG22 ' A' ' 82' ' ' ILE . 73.8 m-20 65.54 54.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 56.11 45.87 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.1 m -156.12 115.58 2.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.02 52.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -94.08 30.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' GLN . 10.6 p-10 -53.32 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -36.61 -39.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -47.87 -53.68 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -97.49 132.05 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -90.21 -175.13 4.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.736 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.5 p-80 -64.75 -40.64 95.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.592 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 37.1 mt-30 -57.14 -61.57 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB2' HG23 ' A' ' 91' ' ' ILE . 14.1 mt-30 -44.32 -49.37 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.46 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.5 mt -53.88 -40.43 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.98 -65.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' ALA . 45.7 mt -35.46 -42.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 26.9 mt -64.1 -46.78 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 37.6 mt-30 -73.72 -21.25 60.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -117.65 64.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.49 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 1.9 m -152.25 105.0 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.83 173.13 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.59 -48.38 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -175.15 142.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.898 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.441 ' HA ' HG21 ' A' ' 103' ' ' THR . 35.6 tp -116.54 102.73 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.83 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 tpp85 -89.72 133.26 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.905 ' CD2' HG23 ' A' ' 82' ' ' ILE . 37.9 mt -140.09 120.9 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 28' ' ' TYR . 53.5 mt -101.21 107.7 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.573 HG21 ' OD2' ' A' ' 77' ' ' ASP . 24.2 m -108.43 159.89 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.1 163.58 12.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -141.31 153.23 45.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.3 t80 -39.57 -61.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.0 m-80 -51.71 -32.15 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' ASP . 5.3 t -72.45 -54.47 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.665 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -57.07 -42.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.657 HD11 ' HB2' ' A' ' 81' ' ' ALA . 33.0 mm -67.5 -46.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -63.81 -25.82 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -80.76 -37.68 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.665 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.3 mtp -73.09 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.16 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 63.15 42.85 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -34.75 4.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -42.28 135.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.683 0.278 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.56 114.27 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.31 141.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -135.28 114.13 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -72.19 101.65 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.6 mm -90.78 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' CB ' ' HE ' ' A' ' 108' ' ' ARG . 22.0 t0 -89.02 100.51 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.529 HD11 HD12 ' A' ' 73' ' ' LEU . 87.1 mt -93.07 133.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -92.08 101.45 13.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 8.8 mmm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.13 63.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 11.8 p90 -144.67 161.93 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.7 176.05 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 15.7 m -148.5 127.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.4 m -109.28 132.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -87.43 135.19 33.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 57' ' ' PHE . 16.8 mt -152.34 107.51 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' LEU . 2.3 tmm_? -34.73 128.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.422 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.2 t -76.28 146.18 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -82.59 19.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.76 -73.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.842 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -172.95 143.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.93 78.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' CG ' ' HB3' ' A' ' 48' ' ' SER . 8.3 ptmm? -176.34 162.18 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 93' ' ' HIS . 39.8 t -118.64 154.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 54' ' ' VAL . 37.6 m-20 -115.14 116.28 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 93' ' ' HIS . 29.8 mm -86.64 132.38 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 84.1 m-85 -124.35 132.24 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG12 ' CG2' ' A' ' 61' ' ' VAL . 46.7 t -70.21 115.27 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 13.2 mmmt -115.84 168.72 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 41.85 54.85 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.528 ' CG2' HG12 ' A' ' 58' ' ' VAL . 56.4 t -73.86 91.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -42.78 127.95 3.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.55 69.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.02 42.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.529 HD12 HD11 ' A' ' 31' ' ' ILE . 2.4 tt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.904 0.383 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' N ' HD23 ' A' ' 73' ' ' LEU . 27.0 mmmt -107.9 168.17 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 32.1 tt0 -81.68 160.3 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 85.2 m-20 62.95 27.41 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -88.06 102.84 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.565 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -66.26 110.35 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 111' ' ' VAL . 39.2 mt -74.95 114.49 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 112' ' ' ALA . 75.8 mt -83.67 -47.81 10.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -132.6 145.91 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.741 HG23 ' CD2' ' A' ' 109' ' ' LEU . 73.9 mt -126.84 117.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.539 HD21 HG21 ' A' ' 103' ' ' THR . 13.9 m120 62.52 51.01 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 59.86 46.75 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 m -155.41 116.29 2.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.03 46.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 79' ' ' ILE . 31.2 mt -93.73 33.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -58.25 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.42 -25.9 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -60.32 -57.52 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -99.08 135.4 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.46 -174.94 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.678 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.5 p-80 -62.19 -45.26 94.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.506 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 68.5 mt-30 -53.79 -61.06 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.01 -42.6 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.16 67.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.7 mt -63.06 -46.22 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -52.45 -59.45 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.6 mt -38.26 -34.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.672 ' HB3' HD11 ' A' ' 39' ' ' LEU . 23.6 mt -79.65 -64.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.24 -14.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -100.6 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.539 HG21 HD21 ' A' ' 83' ' ' ASN . 17.7 m -40.29 133.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -130.87 174.99 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.21 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -130.79 148.84 52.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 100' ' ' LEU . 29.6 tp -134.58 132.19 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HE ' ' CB ' ' A' ' 30' ' ' ASP . 15.3 tpp85 -125.35 99.25 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.741 ' CD2' HG23 ' A' ' 82' ' ' ILE . 42.5 mt -105.13 126.96 52.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 63.4 mt -105.27 103.06 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 79' ' ' ILE . 24.3 m -105.0 155.96 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -104.97 166.34 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -142.96 139.75 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HA ' HG12 ' A' ' 16' ' ' VAL . 19.3 t80 -62.09 -40.32 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -72.38 -23.91 61.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -84.24 -45.11 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 17' ' ' ILE . 4.9 p -60.58 -48.33 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.531 HG22 HD13 ' A' ' 26' ' ' ILE . 43.8 mm -61.09 -46.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -59.69 -28.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -76.49 -44.92 33.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.491 ' SD ' HG22 ' A' ' 16' ' ' VAL . 11.3 mtp -65.46 -38.59 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.12 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 62.19 43.68 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 96.47 -39.81 2.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 58.8 mtm180 -37.9 137.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.299 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.09 116.97 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.531 HD13 HG22 ' A' ' 17' ' ' ILE . 39.9 mt -88.86 142.32 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -134.45 168.33 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -116.75 118.79 33.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.819 HD11 HH22 ' A' ' 113' ' ' ARG . 16.8 mm -110.32 101.08 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.35 101.7 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 73' ' ' LEU . 97.0 mt -94.94 129.59 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -86.68 96.52 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.618 HH11 HD21 ' A' ' 39' ' ' LEU . 3.2 mmm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.832 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.618 HD21 HH11 ' A' ' 33' ' ' ARG . 1.5 mt . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.19 14.69 71.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.5 p90 -144.8 126.97 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -85.45 172.21 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 35.4 m -147.05 148.62 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.508 HG21 ' HE3' ' A' ' 59' ' ' LYS . 27.8 m -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.72 124.1 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.596 ' C ' HG13 ' A' ' 54' ' ' VAL . 7.2 mt -142.8 109.15 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -55.59 115.46 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -67.99 146.52 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -79.19 44.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -110.4 -75.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -174.22 109.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 34.33 68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -160.28 154.95 24.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 93' ' ' HIS . 42.0 t -128.9 144.43 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -104.99 117.25 33.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.454 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 40.0 mm -86.38 110.31 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 87.6 m-85 -98.0 140.24 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.698 HG11 ' CD2' ' A' ' 73' ' ' LEU . 94.6 t -82.09 104.43 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.508 ' HE3' HG21 ' A' ' 44' ' ' VAL . 27.7 mttt -115.87 150.09 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 69.44 46.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 58' ' ' VAL . 98.7 t -71.67 94.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -53.64 120.63 23.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -16.06 37.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.28 39.94 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p -129.79 166.66 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.698 ' CD2' HG11 ' A' ' 58' ' ' VAL . 1.7 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.468 ' O ' HD23 ' A' ' 73' ' ' LEU . 11.3 mptt -113.58 165.35 12.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -82.64 160.43 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.86 25.61 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.511 ' HB3' HG11 ' A' ' 111' ' ' VAL . 82.0 m-20 -85.32 99.92 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -64.16 100.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.596 HG21 HG12 ' A' ' 82' ' ' ILE . 43.0 mt -65.9 103.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 20' ' ' MET . 77.6 mt -72.14 -43.13 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.67 152.89 50.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.596 HG12 HG21 ' A' ' 79' ' ' ILE . 66.6 mt -132.11 109.0 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.757 ' OD1' HD12 ' A' ' 107' ' ' LEU . 72.9 m-20 66.22 48.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 65.24 52.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.5 m -164.96 111.22 0.83 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 141.98 46.6 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 96' ' ' ALA . 27.3 mt -87.46 34.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -57.63 179.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' ASN . 8.9 pt20 -41.84 -43.1 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 7.1 m-20 -44.11 -50.47 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.4 mt -101.79 141.81 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -96.99 179.05 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.597 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.6 p-80 -59.35 -40.67 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 72.4 mt-30 -57.1 -66.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 91' ' ' ILE . 8.3 mm-40 -40.09 -47.62 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -48.91 -52.46 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' A' ' 100' ' ' LEU . 23.0 mt -57.02 -40.06 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.73 -64.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.4 mt -34.67 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.534 HD23 HD11 ' A' ' 107' ' ' LEU . 19.1 mt -75.53 -52.9 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 36.0 mt-30 -67.37 -17.86 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.36 49.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.416 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 16.0 m -155.89 112.66 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.08 155.71 25.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.85 -74.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 m -134.54 137.95 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.757 HD12 ' OD1' ' A' ' 83' ' ' ASN . 37.6 tp -134.88 103.3 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -88.81 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 82' ' ' ILE . 57.2 mt -126.75 114.3 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.65 100.25 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.511 HG11 ' HB3' ' A' ' 77' ' ' ASP . 26.9 m -105.2 162.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.52 160.95 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.819 HH22 HD11 ' A' ' 29' ' ' ILE . 28.9 mtt-85 -143.76 168.76 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.908 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.2 p-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -38.16 -53.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.2 -33.96 71.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.0 t -73.36 -57.28 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.717 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.7 p -48.98 -46.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . 41.2 mm -64.95 -49.14 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -61.76 -26.61 68.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 29.9 mt-30 -80.28 -37.68 32.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.717 ' SD ' HG22 ' A' ' 16' ' ' VAL . 33.7 mtp -75.77 -33.83 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.96 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.7 mm-40 57.83 49.28 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.66 -31.19 3.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -42.64 136.48 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -62.63 117.07 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 110' ' ' ILE . 51.0 mt -88.34 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -136.0 132.59 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.47 102.62 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.689 HG21 HD12 ' A' ' 73' ' ' LEU . 33.4 mm -89.19 103.26 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.89 103.64 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.18 130.85 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' O ' HG21 ' A' ' 66' ' ' VAL . 9.5 tp10 -91.84 104.15 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 103' ' ' THR . 7.4 mmm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD22 HD22 ' A' ' 107' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.7 16.3 66.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 4.6 p90 -149.12 154.19 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -109.39 175.84 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.35 147.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.529 HG13 ' HG3' ' A' ' 59' ' ' LYS . 29.6 m -117.08 134.52 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' HD23 ' A' ' 46' ' ' LEU . . . -90.8 127.22 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 45' ' ' ALA . 23.7 mt -146.22 112.57 5.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -47.44 124.79 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 t -71.25 174.23 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.87 -0.51 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -73.55 -75.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.957 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -175.54 149.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.673 ' N ' HD22 ' A' ' 51' ' ' LEU . . . 4.77 78.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -173.25 160.53 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' C ' ' A' ' 46' ' ' LEU . 21.3 t -124.56 142.55 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 32.5 m-20 -101.32 119.01 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 93' ' ' HIS . 18.4 mm -88.49 121.67 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 14.7 m-85 -113.69 145.37 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 73' ' ' LEU . 54.0 t -79.51 125.27 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.529 ' HG3' HG13 ' A' ' 44' ' ' VAL . 19.2 mmtt -135.17 164.43 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 48.78 54.7 10.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.625 HG23 ' OE2' ' A' ' 75' ' ' GLU . 61.7 t -75.58 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' VAL . 59.6 mt-30 -38.06 116.47 0.87 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.737 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -3.96 13.05 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.92 45.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -143.24 -179.09 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 32' ' ' GLU . 11.9 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 29' ' ' ILE . 2.1 tt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -121.11 155.21 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.625 ' OE2' HG23 ' A' ' 61' ' ' VAL . 2.3 tp10 -56.67 151.1 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.7 m120 65.83 53.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 58' ' ' VAL . 13.1 m-20 -111.65 104.65 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.563 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.0 tt0 -69.05 99.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.523 HG21 ' CG1' ' A' ' 82' ' ' ILE . 37.6 mt -65.4 117.65 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.58 -43.45 14.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.24 150.25 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.576 HG12 HD22 ' A' ' 109' ' ' LEU . 45.6 mt -132.11 118.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.543 ' ND2' HG22 ' A' ' 82' ' ' ILE . 46.4 m-20 63.64 49.23 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 60.4 52.74 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 m -162.37 114.7 1.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.65 51.75 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 45.07 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -70.67 179.91 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -37.6 -37.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.13 -60.18 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.9 mt -93.28 136.95 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -92.61 -174.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.711 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.6 p-80 -62.83 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 56.5 mt-30 -51.7 -65.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.465 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.1 mm-40 -44.29 -45.8 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.13 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.1 mt -65.33 -43.9 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.76 -55.79 26.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -43.96 -47.65 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 39' ' ' LEU . 10.9 mt -68.9 -55.29 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -59.31 -13.75 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -124.11 65.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.552 HG21 HD13 ' A' ' 107' ' ' LEU . 2.9 m -131.27 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 165.39 27.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.2 p -131.35 135.92 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.685 HD11 HD21 ' A' ' 109' ' ' LEU . 48.2 tp -112.29 101.34 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.641 ' O ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -92.67 126.07 37.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 107' ' ' LEU . 46.0 mt -131.8 133.26 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 26' ' ' ILE . 83.4 mt -109.56 100.57 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.0 157.28 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.53 163.08 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -142.72 136.55 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 -179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.09 -31.29 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -77.97 -29.29 49.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -79.18 -46.04 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.658 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.4 p -53.89 -50.05 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.698 HD11 ' HB2' ' A' ' 81' ' ' ALA . 39.2 mm -61.29 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.02 -34.38 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -72.13 -35.28 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.658 ' SD ' HG22 ' A' ' 16' ' ' VAL . 23.3 mtp -75.53 -34.55 60.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.97 71.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 57.41 48.28 14.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.45 -34.54 4.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -46.01 134.1 8.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -63.25 114.49 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 17' ' ' ILE . 11.1 mt -82.01 144.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -137.56 131.22 31.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -87.84 106.88 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mm -87.77 130.58 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.17 107.4 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 73' ' ' LEU . 65.7 mt -107.41 135.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -99.08 92.17 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' A' ' 39' ' ' LEU . 6.0 mmm180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.6 11.31 72.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.476 ' HD2' HG13 ' A' ' 58' ' ' VAL . 5.8 p90 -149.59 147.53 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -110.53 171.66 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.486 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 22.2 m -142.44 149.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -110.46 162.49 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.49 127.38 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.7 mt -146.61 117.48 7.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.47 121.61 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -76.9 136.28 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' NE2' ' CG ' ' A' ' 50' ' ' ASN . 3.4 pp0? -40.24 -36.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' CG ' ' NE2' ' A' ' 49' ' ' GLN . 10.4 m120 -57.97 -175.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 55.0 tp -40.86 162.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' N ' ' HG ' ' A' ' 51' ' ' LEU . . . -47.96 87.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.3 ptpp? -146.04 160.78 41.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.662 HG11 ' HB3' ' A' ' 93' ' ' HIS . 13.4 t -119.08 141.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.582 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 40.8 m-20 -106.35 113.92 27.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 93' ' ' HIS . 17.3 mm -86.07 118.22 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 61.3 m-85 -115.07 136.28 53.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.476 HG13 ' HD2' ' A' ' 41' ' ' PHE . 85.5 t -71.01 116.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.08 163.97 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t70 52.5 54.61 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLN . 90.9 t -69.48 77.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' VAL . 16.5 mt-30 -34.41 112.2 0.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -13.06 34.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.2 29.02 6.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -126.38 171.06 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 31' ' ' ILE . 2.2 tt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.902 0.382 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 17.9 mmmt -118.52 170.86 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -74.54 163.21 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 53.26 52.21 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.542 ' HB3' HG11 ' A' ' 111' ' ' VAL . 19.3 m-20 -108.53 110.27 21.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -71.23 117.32 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 82' ' ' ILE . 2.6 mm -74.59 101.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 112' ' ' ALA . 67.9 mt -75.69 -34.6 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.849 ' HB3' HD12 ' A' ' 110' ' ' ILE . . . -155.74 149.0 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.675 HG23 HD23 ' A' ' 109' ' ' LEU . 72.2 mt -130.15 123.06 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.4 m120 54.29 49.9 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 62.1 54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 m -166.13 109.55 0.72 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.183 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.91 55.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.596 HD13 ' CB ' ' A' ' 96' ' ' ALA . 17.5 mt -94.91 40.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' GLN . 25.4 t0 -58.34 173.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' ASP . 8.8 pt20 -37.37 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.5 mt -86.97 138.14 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 m -87.73 -174.94 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.662 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.0 p-80 -67.47 -40.03 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.417 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 11.3 mm-40 -57.98 -64.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.475 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.5 mt-30 -40.16 -45.96 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.596 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -53.35 -49.32 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.9 mt -61.72 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.88 -61.76 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' ALA . 39.1 mt -36.44 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.796 HD23 HD11 ' A' ' 107' ' ' LEU . 27.8 mt -80.44 -54.24 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.81 -12.35 61.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.7 30.6 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.3 m -143.27 105.16 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.62 175.17 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.76 -82.71 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 m -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 100' ' ' LEU . 59.8 tp -120.19 105.95 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' O ' HD23 ' A' ' 109' ' ' LEU . 4.0 ttm105 -89.36 135.88 33.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.675 HD23 HG23 ' A' ' 82' ' ' ILE . 22.9 mt -138.26 165.91 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.849 HD12 ' HB3' ' A' ' 81' ' ' ALA . 67.7 mt -140.15 115.55 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 77' ' ' ASP . 16.5 m -123.64 154.82 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -105.41 164.43 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -142.7 140.79 31.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 24.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -39.36 -37.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.65 -38.26 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -68.82 -49.67 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.628 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.2 p -54.21 -48.14 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' ' 81' ' ' ALA . 36.2 mm -62.95 -48.06 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -61.14 -29.6 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -76.43 -41.06 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.628 ' SD ' HG22 ' A' ' 16' ' ' VAL . 23.4 mtp -69.43 -27.76 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.3 55.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 65.36 42.93 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 94.18 -37.37 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' GLY . 59.0 mtm180 -36.62 137.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -64.71 115.32 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.7 mt -87.4 140.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -131.64 118.57 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -69.7 102.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.518 HG21 HD12 ' A' ' 73' ' ' LEU . 12.2 mm -88.96 105.68 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 5.8 p-10 -91.01 100.44 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.647 HD11 HD12 ' A' ' 73' ' ' LEU . 96.7 mt -97.42 130.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.09 99.37 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.852 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 100' ' ' LEU . 2.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.43 8.11 36.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.2 p90 -138.9 141.48 38.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 m -94.71 171.72 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.488 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.4 m -141.88 153.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.5 m -122.92 147.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -101.18 132.59 46.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 57' ' ' PHE . 46.1 mt -147.02 109.07 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.7 tmm_? -49.29 122.48 6.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -74.43 -180.0 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -102.84 -35.62 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -38.05 -67.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.961 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -167.11 172.49 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.961 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -33.61 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 51' ' ' LEU . 10.1 ptmm? -171.07 166.12 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 93' ' ' HIS . 22.8 t -121.48 158.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 54' ' ' VAL . 66.8 m-20 -117.17 114.07 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.891 ' O ' HD12 ' A' ' 79' ' ' ILE . 14.4 mm -88.22 112.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 46' ' ' LEU . 97.2 m-85 -104.46 141.45 36.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 73' ' ' LEU . 48.7 t -78.22 107.84 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mmtp -115.73 151.74 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.39 54.65 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.32 95.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -39.77 116.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.14 53.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 m -151.44 172.62 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 58' ' ' VAL . 2.3 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -107.16 151.73 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 156.87 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 60.55 33.92 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -96.87 122.56 39.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.543 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 14.0 tt0 -82.77 121.34 26.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.891 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.5 mp -82.01 108.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -76.49 -33.23 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -149.47 147.35 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.695 HG12 HD22 ' A' ' 109' ' ' LEU . 33.1 mt -126.22 114.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 63.22 47.77 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 64.06 54.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 35.4 m -162.9 109.29 1.04 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.4 Cg_endo -69.69 142.56 48.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 96' ' ' ALA . 23.4 mt -90.27 38.8 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ASN . 14.5 p-10 -57.43 176.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.738 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.1 pt20 -41.09 -24.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 5.1 m120 -61.71 -57.32 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.2 mt -92.99 135.84 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.3 m -91.85 178.58 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.544 ' HB3' HG21 ' A' ' 54' ' ' VAL . 3.1 p-80 -59.07 -40.76 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 30.0 mt-30 -56.72 -66.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB2' HG23 ' A' ' 91' ' ' ILE . 36.7 mt-30 -41.72 -43.36 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 87' ' ' LEU . . . -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.08 -38.13 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.686 ' HB1' HE21 ' A' ' 102' ' ' GLN . . . -59.97 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.8 mt -38.23 -35.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' A' ' 39' ' ' LEU . 63.3 mt -71.21 -64.2 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.33 -6.52 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.686 HE21 ' HB1' ' A' ' 98' ' ' ALA . 22.0 mt-30 -86.47 -75.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.527 HG21 HD13 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -32.02 147.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 104' ' ' THR . 19.1 m -125.91 14.22 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -152.64 -147.85 4.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 105' ' ' GLY . 18.7 p -37.0 118.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 103' ' ' THR . 52.7 tp -124.07 119.17 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -113.25 127.22 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 82' ' ' ILE . 42.9 mt -123.88 110.55 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.13 103.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -106.36 161.16 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -128.62 159.47 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.875 0.369 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -45.03 -35.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.4 -30.63 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.2 t -78.19 -49.45 13.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.612 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.9 p -54.02 -44.99 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 81' ' ' ALA . 33.0 mm -64.19 -48.11 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -61.44 -31.25 71.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -75.04 -37.2 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.612 ' SD ' HG22 ' A' ' 16' ' ' VAL . 44.3 mtp -74.73 -34.83 62.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.22 38.48 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -28.95 9.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -41.36 140.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.7 tt0 -62.67 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.71 142.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -137.97 154.97 49.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.8 101.41 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.7 mm -89.18 109.3 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -85.11 115.75 23.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.974 HD11 HD12 ' A' ' 73' ' ' LEU . 41.3 mt -112.27 135.45 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.81 99.41 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.47 HH11 HD21 ' A' ' 39' ' ' LEU . 8.5 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD21 HH11 ' A' ' 33' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.12 12.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.613 ' HE2' HD13 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -156.01 142.57 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -108.02 175.9 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.05 152.59 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.515 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 18.8 m -124.23 129.56 74.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 130.34 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.6 mt -145.99 107.32 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 1.9 tmm_? -44.6 115.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.2 t -72.91 123.17 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' SER . 29.8 mt-30 -33.69 -34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' SER . 72.4 m-20 -57.12 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.844 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -51.96 174.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.844 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.01 89.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' LEU . 5.2 ptmm? -164.98 146.33 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 93' ' ' HIS . 29.9 t -115.23 152.97 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 55.8 m-20 -109.96 119.38 39.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -92.24 116.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 85.6 m-85 -113.22 137.81 50.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 73' ' ' LEU . 60.5 t -78.92 114.12 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmmt -118.26 177.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.12 45.37 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 62' ' ' GLN . 80.2 t -67.42 85.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 61' ' ' VAL . 10.0 mm100 -34.39 116.46 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.58 5.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.56 49.76 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -143.95 179.22 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.945 0.402 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.974 HD12 HD11 ' A' ' 31' ' ' ILE . 2.5 tt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' O ' HD23 ' A' ' 73' ' ' LEU . 3.1 mmmp? -88.48 157.73 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.11 153.5 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 58.64 42.47 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.6 113.77 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.481 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.7 tt0 -71.65 115.26 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' O ' HD12 ' A' ' 87' ' ' LEU . 21.7 mt -79.13 114.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.1 -43.38 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -142.18 153.0 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.71 HG12 HD22 ' A' ' 109' ' ' LEU . 73.5 mt -130.94 107.97 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.1 m120 62.77 46.7 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 69.68 48.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 m -158.4 105.05 1.67 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.2 44.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 82' ' ' ILE . 16.6 mt -90.14 39.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 90' ' ' ASN . 28.9 t70 -64.67 173.21 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.565 ' CB ' HD21 ' A' ' 51' ' ' LEU . 4.0 pt20 -36.6 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' ASP . 3.9 m120 -54.27 -54.72 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.5 mt -98.65 142.63 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 m -94.15 -179.49 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.505 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.0 p-80 -62.23 -41.88 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.448 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 5.3 mm-40 -56.24 -64.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.538 ' HB2' HG23 ' A' ' 91' ' ' ILE . 3.5 mp0 -44.43 -47.4 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.98 42.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 mt -59.89 -46.4 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.13 -58.17 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -37.94 -38.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.91 -55.89 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.2 -15.43 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 103' ' ' THR . 22.0 mt-30 -101.05 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.444 HG21 ' CD1' ' A' ' 107' ' ' LEU . 5.1 m -36.58 106.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 105' ' ' GLY . 14.5 m -87.92 160.18 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 59.07 -158.69 20.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.535 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 105' ' ' GLY . 1.7 m -32.24 146.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 103' ' ' THR . 55.8 tp -139.75 106.09 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.66 113.61 25.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.71 HD22 HG12 ' A' ' 82' ' ' ILE . 81.0 mt -116.82 117.75 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 81' ' ' ALA . 74.4 mt -87.42 101.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -107.68 154.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 162.38 13.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLN . 16.3 ttm-85 -132.94 153.13 51.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.327 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -43.12 -48.68 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -62.43 -29.5 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.3 t -76.95 -56.16 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -48.04 -45.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.441 ' CG2' HD13 ' A' ' 26' ' ' ILE . 32.1 mm -62.87 -50.51 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -59.82 -31.33 69.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.95 -37.92 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.716 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.7 mtp -73.93 -37.32 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -39.03 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.7 43.12 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.4 -29.39 8.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -41.41 136.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -61.84 109.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CG2' HG23 ' A' ' 110' ' ' ILE . 42.5 mt -85.14 144.41 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -140.91 137.04 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.6 108.84 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.533 HG21 ' HG ' ' A' ' 73' ' ' LEU . 13.9 mm -95.78 101.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.55 126.71 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.478 HG23 HG22 ' A' ' 66' ' ' VAL . 87.9 mt -120.73 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG21 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -77.04 92.49 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.506 HH11 HD21 ' A' ' 39' ' ' LEU . 4.8 mmm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.506 HD21 HH11 ' A' ' 33' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.29 10.85 63.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.4 p90 -140.9 137.0 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -97.7 173.17 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.6 m -143.49 149.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -117.77 134.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.36 124.49 38.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.4 mt -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.9 tmm_? -40.64 123.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.0 t -67.64 178.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -100.59 -13.35 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -72.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -176.29 144.01 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.34 80.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 19.1 ptmt -166.96 171.91 10.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.667 HG11 ' HB3' ' A' ' 93' ' ' HIS . 33.0 t -128.8 145.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.1 m-20 -107.43 114.7 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 93' ' ' HIS . 17.5 mm -88.13 104.75 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 78.8 m-85 -99.68 133.64 43.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.65 HG12 HG22 ' A' ' 61' ' ' VAL . 32.5 t -72.79 108.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.3 mmmt -113.18 161.86 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 51.23 51.5 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.65 HG22 HG12 ' A' ' 58' ' ' VAL . 93.1 t -75.41 92.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -54.09 120.14 23.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.27 44.38 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' VAL . 19.5 m -144.17 144.52 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG22 HG23 ' A' ' 31' ' ' ILE . 9.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.533 ' HG ' HG21 ' A' ' 29' ' ' ILE . 3.5 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' HD23 ' A' ' 73' ' ' LEU . 4.8 mmmm -108.86 163.41 13.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.63 166.86 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 56.92 32.64 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 58' ' ' VAL . 27.6 m-20 -90.88 102.09 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.507 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.6 tt0 -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.49 HG21 ' CG1' ' A' ' 82' ' ' ILE . 79.1 mt -64.54 103.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.37 -47.53 55.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.42 153.06 51.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.608 HG23 ' CD2' ' A' ' 109' ' ' LEU . 74.2 mt -131.95 112.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.585 ' ND2' HG22 ' A' ' 82' ' ' ILE . 74.4 m-20 64.18 45.22 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t60 67.3 50.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.9 m -161.12 106.71 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 144.35 53.27 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.33 43.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' ASN . 36.5 t0 -65.08 174.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 10.7 pt20 -35.44 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' ASP . 39.1 m-20 -55.59 -57.51 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.7 mt -94.67 142.39 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 m -94.69 -176.2 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.667 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.9 p-80 -64.66 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.89 -66.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.515 ' HB2' HG23 ' A' ' 91' ' ' ILE . 29.6 mt-30 -39.93 -47.16 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.02 -51.8 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -56.56 -45.08 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -51.62 -61.3 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.8 mt -35.5 -42.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 39' ' ' LEU . 10.8 mt -69.0 -46.69 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.5 mt-30 -75.17 -10.01 59.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' HG2' ' C ' ' A' ' 98' ' ' ALA . 1.0 OUTLIER -123.22 40.39 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.427 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.0 m -142.54 105.49 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -91.92 142.79 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 85.84 -174.71 48.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' GLY . 57.7 p -33.55 122.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.394 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.542 HD12 ' OD1' ' A' ' 83' ' ' ASN . 52.0 tp -112.1 103.32 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -80.42 127.22 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.608 ' CD2' HG23 ' A' ' 82' ' ' ILE . 66.0 mt -132.36 111.01 10.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.496 HG23 ' CG2' ' A' ' 26' ' ' ILE . 89.4 mt -86.53 100.32 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -105.58 158.22 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.452 ' NH2' HD11 ' A' ' 29' ' ' ILE . 11.0 mmt180 -133.56 157.67 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.891 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -130.09 145.26 51.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -146.21 162.33 38.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.56 126.27 2.74 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.539 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -148.82 172.54 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -104.06 86.53 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.18 -118.74 4.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD13 ' H ' ' A' ' 13' ' ' PHE . 14.0 mt -148.12 167.86 23.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.22 -127.54 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -42.39 -50.27 5.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.35 122.97 47.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.68 169.16 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' H ' HD13 ' A' ' 8' ' ' LEU . 10.5 t80 -50.09 -33.59 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.7 -27.09 58.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -82.05 -48.44 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.707 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.1 p -52.28 -47.3 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -65.29 -42.39 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -68.39 -21.68 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -86.62 -35.65 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.707 ' SD ' HG22 ' A' ' 16' ' ' VAL . 38.3 mtp -75.32 -34.87 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.32 -37.63 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 65.89 44.73 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.08 -26.09 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -48.39 141.02 7.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.07 119.08 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 41.0 mt -93.86 138.66 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -131.56 141.51 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -97.05 101.62 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG23 ' HG3' ' A' ' 71' ' ' GLN . 3.8 mm -89.32 101.17 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -88.15 117.54 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 1.035 HD11 HD12 ' A' ' 73' ' ' LEU . 29.2 mt -111.08 137.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -92.54 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -64.01 112.74 8.1 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.615 0.722 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.76 174.36 9.62 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -96.47 -50.72 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.4 p -99.0 16.91 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . -138.52 -164.4 9.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.93 -178.0 16.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -48.84 -33.02 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.25 12.14 84.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 5.9 p90 -142.48 157.88 44.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -114.11 174.47 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.19 151.36 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -120.71 140.73 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.45 121.97 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 mt -139.59 109.94 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 2.0 tmm_? -51.59 128.19 22.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.49 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 7.6 t -79.18 -176.74 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -105.69 -31.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -43.24 -58.53 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 53' ' ' LYS . 4.3 tt -173.03 157.26 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . -27.17 90.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 51' ' ' LEU . 9.0 ptpt -162.03 173.85 13.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.734 HG11 ' HB3' ' A' ' 93' ' ' HIS . 16.0 t -130.88 132.82 63.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 77.2 m-20 -98.17 113.22 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 93' ' ' HIS . 18.9 mm -86.41 125.13 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 56.2 m-85 -120.96 140.29 52.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.834 HG21 HD21 ' A' ' 73' ' ' LEU . 48.0 t -77.11 114.05 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 10.4 mmmt -122.83 156.29 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 60.17 51.93 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 61' ' ' VAL . 53.2 t -74.21 82.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 25.9 mt-30 -40.66 103.34 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' GLN . 53.5 Cg_endo -69.84 84.14 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.304 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.32 -21.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.421 ' C ' ' HG2' ' A' ' 69' ' ' ARG . 23.2 p -79.55 177.27 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 67' ' ' ALA . 7.0 p -45.97 -45.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.478 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -46.42 -31.67 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.58 -69.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 65' ' ' SER . 7.5 ptp180 -42.87 -28.33 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -105.67 -67.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' HG3' HG23 ' A' ' 29' ' ' ILE . 7.3 tp60 -91.63 176.29 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' NE ' HH22 ' A' ' 113' ' ' ARG . 0.0 OUTLIER -116.56 34.06 5.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.035 HD12 HD11 ' A' ' 31' ' ' ILE . 1.8 tt -58.13 122.78 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -95.12 161.34 14.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -78.97 159.82 27.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 59.21 37.0 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.47 ' HB3' HG11 ' A' ' 111' ' ' VAL . 27.8 m-20 -100.53 102.4 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 4.3 tt0 -61.69 111.91 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.44 HG21 ' CG1' ' A' ' 82' ' ' ILE . 12.3 mt -76.67 114.5 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.38 -44.77 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.62 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -141.19 151.87 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.522 HG12 HD22 ' A' ' 109' ' ' LEU . 74.2 mt -131.86 109.85 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.576 HD21 HD12 ' A' ' 107' ' ' LEU . 11.0 m120 64.51 47.11 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 66.87 47.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.9 m -159.12 105.29 1.55 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.143 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.05 49.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.385 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.86 33.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.7 t0 -58.31 174.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 4.8 pt20 -36.82 -33.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' ASP . 17.3 m120 -53.52 -57.8 9.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.4 mt -92.29 135.4 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 -174.68 5.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.734 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.6 p-80 -68.42 -39.04 81.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.412 ' HG2' ' NE2' ' A' ' 93' ' ' HIS . 3.6 mm100 -58.75 -59.62 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.575 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.3 mt-30 -44.87 -45.71 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.65 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 HE21 ' A' ' 101' ' ' GLN . 14.2 mt -58.06 -45.14 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.739 ' HB1' ' OE1' ' A' ' 102' ' ' GLN . . . -52.46 -61.46 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.7 mt -37.61 -34.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.66 HD23 HD11 ' A' ' 107' ' ' LEU . 19.5 mt -79.06 -59.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.444 HE21 HG22 ' A' ' 97' ' ' ILE . 33.6 mt-30 -58.06 -16.44 12.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.739 ' OE1' ' HB1' ' A' ' 98' ' ' ALA . 37.2 mt-30 -97.99 -66.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' GLN . 5.3 m -36.6 117.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 105' ' ' GLY . 15.5 m -111.82 167.96 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 104' ' ' THR . . . 70.08 -80.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.4 m -117.83 133.41 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.824 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.66 HD11 HD23 ' A' ' 100' ' ' LEU . 19.3 tp -129.28 109.94 11.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.9 ' O ' HD23 ' A' ' 109' ' ' LEU . 35.9 ttp180 -96.07 146.43 24.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.9 HD23 ' O ' ' A' ' 108' ' ' ARG . 41.9 mt -143.32 117.07 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.469 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 56.4 mt -94.91 100.19 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 77' ' ' ASP . 34.5 m -106.29 159.28 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.94 158.3 18.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.429 HH22 ' NE ' ' A' ' 72' ' ' ARG . 8.0 mtt180 -141.01 142.83 34.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 41.7 tt0 -79.53 137.89 55.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.678 0.751 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 114' ' ' GLU . 53.8 Cg_endo -69.79 176.22 7.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.272 . . . . 0.0 112.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.8 p -95.78 148.78 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.447 ' CE1' ' HE3' ' A' ' 119' ' ' LYS . 5.7 p80 -158.44 107.29 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' HIS . 82.3 p 35.81 36.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.447 ' HE3' ' CE1' ' A' ' 117' ' ' HIS . 17.5 mmtp -85.66 -62.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t 68.96 46.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.3 m -69.15 112.17 5.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.1 m -63.47 116.88 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -142.81 128.92 19.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -147.62 145.9 15.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.43 27.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.6 p -115.18 127.85 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -104.27 150.95 23.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.2 p -122.46 144.6 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 p -56.76 -49.18 76.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.58 -157.27 27.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -52.94 152.37 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.813 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -117.61 121.74 41.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.99 150.3 6.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 12' ' ' ASP . 85.3 mt -43.98 111.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.92 -107.63 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -42.17 -54.94 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.59 134.24 52.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -119.6 148.82 42.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 12' ' ' ASP . 14.1 t80 -34.13 -61.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 59.7 m-80 -53.52 -38.28 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -67.89 -56.7 8.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.613 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -54.17 -43.23 59.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.675 HD11 ' HB2' ' A' ' 81' ' ' ALA . 28.3 mm -63.09 -49.9 81.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -58.57 -33.69 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 24.2 mm-40 -71.62 -38.95 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.613 ' SD ' HG22 ' A' ' 16' ' ' VAL . 26.3 mtp -72.25 -36.06 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.12 88.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 32.2 mm-40 62.45 46.99 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.14 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -45.59 143.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -68.22 116.58 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.87 144.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -138.85 130.2 27.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -85.98 102.25 13.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 72' ' ' ARG . 10.7 mm -94.01 111.48 25.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' OD1' ' CD ' ' A' ' 71' ' ' GLN . 7.0 p-10 -99.55 119.64 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.444 HD12 HD12 ' A' ' 109' ' ' LEU . 80.7 mt -115.6 132.34 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' O ' HG21 ' A' ' 66' ' ' VAL . 16.9 mt-10 -92.37 96.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -44.55 124.89 4.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.574 0.702 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 53.9 Cg_endo -69.75 -175.84 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.7 m -98.73 -58.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.3 p -95.43 -22.98 17.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . -93.6 -149.07 24.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.37 -159.69 9.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -58.95 -21.84 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.927 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.07 13.19 40.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 3.7 p90 -142.09 131.81 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -90.82 172.55 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 m -140.83 156.67 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 m -122.6 139.91 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.45 121.66 41.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -139.62 113.15 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -58.09 138.44 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -84.72 163.94 18.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -83.04 -25.85 31.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -50.57 -66.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.867 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -172.36 -174.97 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.867 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.4 91.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.2 ptmt -171.95 148.53 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 93' ' ' HIS . 12.0 t -119.4 137.78 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -101.02 112.67 25.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.776 HD11 ' HA ' ' A' ' 93' ' ' HIS . 20.5 mm -86.48 117.59 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 61.4 m-85 -110.62 143.32 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG12 ' CG2' ' A' ' 61' ' ' VAL . 64.8 t -79.07 109.95 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 19.8 mmmt -116.2 157.91 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.8 t70 55.53 53.12 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.841 HG23 ' OE1' ' A' ' 75' ' ' GLU . 37.2 t -74.36 107.64 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -57.87 115.45 11.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.27 8.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.07 67.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -168.64 170.93 9.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 32' ' ' GLU . 8.7 p -46.41 -23.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.14 73.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -122.59 -59.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -38.14 -35.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.87 -68.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' CD ' ' OD1' ' A' ' 30' ' ' ASP . 7.8 tp60 -125.96 163.58 22.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.804 ' O ' HD12 ' A' ' 29' ' ' ILE . 7.6 tpp180 -68.12 126.26 28.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 29' ' ' ILE . 2.3 tt -156.4 124.16 5.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -108.21 168.14 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.841 ' OE1' HG23 ' A' ' 61' ' ' VAL . 1.4 tp10 -74.65 155.25 37.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 65.43 49.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.478 ' HB3' HG11 ' A' ' 111' ' ' VAL . 11.3 m-20 -106.3 99.15 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.505 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.9 tt0 -65.38 103.96 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.58 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.5 mt -69.53 106.16 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.37 -47.74 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -135.32 152.72 51.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 109' ' ' LEU . 86.0 mt -132.0 115.84 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.2 m120 59.84 43.47 15.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 70.35 46.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 39.9 m -154.82 106.86 2.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.2 Cg_endo -69.78 144.09 52.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' A' ' 96' ' ' ALA . 17.0 mt -93.52 48.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.3 p30 -72.28 173.64 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' HB3' HD21 ' A' ' 51' ' ' LEU . 16.4 pt20 -36.51 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 88' ' ' ASP . 1.0 OUTLIER -57.38 -48.8 78.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.622 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.3 mt -105.05 138.3 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -93.28 -174.8 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.776 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.6 p-80 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mt-30 -52.92 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.622 ' HB2' HG23 ' A' ' 91' ' ' ILE . 15.5 mp0 -39.09 -51.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.701 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -46.56 -51.38 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.11 -39.23 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.8 -65.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 40.5 mt -34.41 -37.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.643 ' HB3' HD11 ' A' ' 39' ' ' LEU . 33.1 mt -71.05 -49.21 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.8 mt-30 -74.23 -13.9 60.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 99' ' ' LEU . 5.3 pt20 -115.32 39.8 2.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.4 m -145.85 123.17 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.32 -177.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.87 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.2 p -123.98 143.38 50.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.518 HD11 HD23 ' A' ' 100' ' ' LEU . 66.6 tp -130.12 103.02 6.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.701 ' O ' HD23 ' A' ' 109' ' ' LEU . 6.6 ttm-85 -85.5 130.0 34.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 108' ' ' ARG . 56.0 mt -136.92 113.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 78.8 mt -98.1 100.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 79' ' ' ILE . 34.4 m -105.02 157.85 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.56 163.76 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -144.82 133.8 22.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -75.96 136.99 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 177.59 5.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 8.1 p -98.53 151.36 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -129.91 172.51 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 36.1 m -70.74 127.63 33.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -157.77 151.61 24.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.5 p -112.54 172.82 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -170.26 164.32 8.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 t -118.76 161.81 19.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.0 m -163.93 172.56 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 179.78 73.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 175.93 7.41 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.4 t -142.12 133.63 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -49.48 131.86 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -97.72 169.33 9.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -137.09 136.31 38.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.99 167.62 42.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -126.26 -51.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -130.99 140.36 50.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.77 -172.63 37.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -125.35 -51.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.37 -128.4 6.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -83.54 -41.64 17.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -110.54 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.9 p30 -91.75 161.87 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.434 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 14.4 t80 -38.1 -55.83 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -57.93 -32.42 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -73.3 -55.64 6.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.719 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -51.7 -41.83 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 81' ' ' ALA . 34.5 mm -65.01 -51.53 65.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -58.66 -30.34 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -75.56 -37.95 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.719 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.7 mtp -75.1 -31.06 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.6 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 57.92 51.46 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.78 -33.69 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -42.66 137.11 2.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.86 115.56 5.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 34.5 mt -82.88 142.92 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -137.09 115.38 11.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -73.05 104.72 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.91 HD12 ' O ' ' A' ' 72' ' ' ARG . 24.5 mm -88.43 116.64 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.24 122.64 35.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.557 HD11 ' CD1' ' A' ' 73' ' ' LEU . 82.9 mt -123.28 128.15 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.47 100.01 12.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 8.6 mmm180 -46.29 106.89 0.61 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.839 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 53.4 Cg_endo -69.81 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' GLY . 28.4 p -61.35 -176.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' GLY . 79.4 p -39.45 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -35.85 -90.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.75 169.8 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 1.1 mt -56.72 -29.5 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.79 88.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.6 p90 -138.38 137.41 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 m -97.85 173.88 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 m -141.15 154.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 1.9 m -120.81 140.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.62 114.72 29.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.413 ' C ' HG13 ' A' ' 54' ' ' VAL . 33.0 mt -130.96 120.02 22.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -55.58 121.09 8.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -79.45 145.55 33.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -85.7 36.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 8.4 m120 -101.39 -73.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -173.41 105.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.457 ' N ' HD13 ' A' ' 51' ' ' LEU . . . 34.37 77.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 50' ' ' ASN . 7.5 ptpp? -171.43 157.08 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 93' ' ' HIS . 25.4 t -121.11 137.26 55.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -95.21 117.74 30.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 93' ' ' HIS . 31.3 mm -88.28 117.48 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -110.43 141.72 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.639 HG12 HG22 ' A' ' 61' ' ' VAL . 59.7 t -80.4 106.29 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 14.9 mmmt -111.08 164.72 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 50.85 48.32 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.639 HG22 HG12 ' A' ' 58' ' ' VAL . 77.0 t -71.8 96.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -49.75 122.65 13.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -5.93 17.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.11 54.99 0.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' VAL . 3.9 m -151.54 160.04 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.822 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 39' ' ' LEU . 8.6 p -37.0 -37.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . . . -36.74 -59.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 70' ' ' ASP . 9.8 t0 -109.33 -57.28 2.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 ptm180 -35.97 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 68' ' ' ASP . 7.0 t70 -79.33 -69.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.12 167.8 19.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.91 ' O ' HD12 ' A' ' 29' ' ' ILE . 27.3 ttt85 -58.23 124.87 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.557 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.5 tt -160.64 117.56 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -104.96 164.31 11.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -74.2 163.99 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 59.82 25.16 14.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' HB3' HG11 ' A' ' 111' ' ' VAL . 40.4 m-20 -81.62 103.01 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -66.25 99.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 111' ' ' VAL . 31.3 mt -69.18 110.09 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.3 -50.29 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -132.09 150.5 52.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.781 HG12 HD22 ' A' ' 109' ' ' LEU . 89.0 mt -131.99 118.67 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.489 HD21 HG21 ' A' ' 103' ' ' THR . 22.6 m120 58.51 51.49 7.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 60.28 54.0 4.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.6 m -166.77 109.11 0.66 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 0.0 111.193 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.5 48.14 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.77 34.58 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -56.04 178.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.424 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.1 pp0? -43.18 -31.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.42 -41.73 76.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -109.13 139.07 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.8 m -96.39 -174.82 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.589 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.5 p-80 -61.08 -49.12 78.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 36.9 mt-30 -49.4 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.528 ' HB2' HG23 ' A' ' 91' ' ' ILE . 15.8 mp0 -40.4 -48.77 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.42 -48.62 47.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.21 -40.68 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.533 ' HB1' ' OE1' ' A' ' 102' ' ' GLN . . . -52.59 -55.76 20.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.4 mt -43.63 -52.39 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 107' ' ' LEU . 44.9 mt -53.15 -57.49 10.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.53 -15.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.533 ' OE1' ' HB1' ' A' ' 98' ' ' ALA . 27.3 mt-30 -114.19 42.6 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.489 HG21 HD21 ' A' ' 83' ' ' ASN . 53.5 m -145.04 106.85 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.68 140.74 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.03 -71.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.6 p -136.25 132.86 36.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.638 HD11 HD23 ' A' ' 100' ' ' LEU . 41.2 tp -123.0 101.77 7.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -98.33 112.34 24.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.781 HD22 HG12 ' A' ' 82' ' ' ILE . 42.3 mt -114.63 120.94 41.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 69.0 mt -96.25 102.43 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 79' ' ' ILE . 26.0 m -105.03 155.97 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.59 165.17 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -139.17 151.15 46.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -90.97 136.71 27.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 178.15 4.81 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.3 138.87 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -125.82 -53.0 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 m -135.73 124.63 24.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -76.76 153.03 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.8 t -136.48 156.72 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 t -129.97 88.53 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -131.83 133.51 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.085 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.2 p -159.08 176.62 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -127.02 169.72 18.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.01 7.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 t -149.0 176.95 10.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' GLY . 6.4 t -142.63 171.43 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -70.83 84.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t 50.97 41.1 26.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.47 -42.18 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -117.79 95.08 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -106.67 116.22 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.55 123.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.95 -58.06 3.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.19 -147.62 18.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -48.21 -62.37 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 132.01 34.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -104.02 149.37 25.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASP . 9.6 t80 -34.72 -60.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 62.4 m-80 -54.2 -36.67 63.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.6 t -68.77 -56.56 7.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.449 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -53.71 -42.99 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.444 HD11 ' HB2' ' A' ' 81' ' ' ALA . 21.9 mm -64.87 -50.69 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -58.41 -25.79 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 13.5 mt-30 -78.68 -39.29 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.0 mtp -72.79 -34.9 67.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -77.23 -33.99 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.1 mm-40 62.23 45.28 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.89 -28.08 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.443 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -40.26 155.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -72.45 111.97 8.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 17' ' ' ILE . 43.5 mt -95.02 139.05 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -137.21 157.94 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -102.53 102.07 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.615 HG21 HD12 ' A' ' 73' ' ' LEU . 41.8 mm -88.06 101.05 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.82 102.07 13.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD11 HD12 ' A' ' 73' ' ' LEU . 96.8 mt -95.82 128.61 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.8 90.57 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.678 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 7.1 mmt180 -44.04 120.99 3.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.56 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.1 m -72.28 -64.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.5 p -112.67 -18.96 12.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.78 179.3 17.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.69 176.77 16.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.678 HD21 ' CZ ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.64 -28.16 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.53 19.49 79.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 58' ' ' VAL . 2.4 p90 -150.88 138.63 19.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -98.93 175.47 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.99 151.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.22 136.27 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.13 120.11 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.082 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.595 HD12 ' CD2' ' A' ' 57' ' ' PHE . 10.7 mt -136.56 109.44 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.8 tmm_? -46.86 126.9 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.492 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.1 t -83.43 174.03 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -101.54 -9.2 21.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -52.17 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.2 tm? -175.04 107.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 36.1 76.81 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -165.61 173.95 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -130.36 147.44 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -105.99 113.85 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.679 HD11 ' HA ' ' A' ' 93' ' ' HIS . 14.6 mm -86.82 117.18 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.595 ' CD2' HD12 ' A' ' 46' ' ' LEU . 90.3 m-85 -112.82 140.47 47.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.686 HG11 ' CD2' ' A' ' 73' ' ' LEU . 54.0 t -81.39 119.72 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -133.4 160.62 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t70 63.86 50.34 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.35 90.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -41.46 121.95 2.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -12.18 32.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.654 2.236 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.58 63.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -153.38 -178.61 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 67' ' ' ALA . 7.2 p -56.64 -45.52 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -56.99 -36.08 69.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.11 -57.12 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -63.8 -22.8 67.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' GLN . 27.0 t0 -61.56 -18.29 58.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' ASP . 16.7 pt20 34.74 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.5 mmt180 -128.05 -44.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.686 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.3 tt -84.71 128.34 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.72 167.62 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -75.39 153.74 37.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 61.52 24.91 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.1 m-20 -88.48 101.58 14.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -63.82 118.13 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.601 HG21 HG12 ' A' ' 82' ' ' ILE . 33.2 mt -78.77 102.51 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 21' ' ' ALA . 80.6 mt -68.89 -44.27 73.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 110' ' ' ILE . . . -137.77 153.84 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.601 HG12 HG21 ' A' ' 79' ' ' ILE . 62.0 mt -131.98 111.77 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 62.73 48.07 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t60 66.02 54.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.7 m -166.1 111.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 143.17 50.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.59 49.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' GLN . 11.2 t70 -72.48 175.82 5.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' ASP . 2.3 pp0? -35.67 -37.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -50.37 -54.14 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.445 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.8 mt -95.6 135.76 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.5 m -90.53 -174.79 4.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.679 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.0 p-80 -65.83 -39.92 91.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.505 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 56.8 mt-30 -57.54 -62.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.4 mm-40 -44.8 -43.35 8.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.25 -47.68 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.7 mt -62.96 -38.93 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.69 -61.26 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -38.86 -27.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' ALA . 42.2 mt -80.73 -66.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -60.74 -12.09 9.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.467 HE21 ' HB1' ' A' ' 98' ' ' ALA . 24.1 mt-30 -114.12 44.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.0 m -153.94 108.88 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 105' ' ' GLY . 11.2 m -104.43 168.01 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 104' ' ' THR . . . 75.92 -83.32 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.426 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -118.36 146.56 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.4 tp -138.99 105.46 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.515 ' O ' HD23 ' A' ' 109' ' ' LEU . 7.2 ttm180 -91.48 130.86 37.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.543 ' CD2' HG23 ' A' ' 82' ' ' ILE . 49.4 mt -134.69 117.63 16.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.608 HD12 ' HB3' ' A' ' 81' ' ' ALA . 98.8 mt -93.66 100.67 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.34 162.17 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.14 167.43 10.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.13 153.61 46.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -101.63 130.35 24.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.611 0.72 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.4 2.9 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.26 . . . . 0.0 112.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 68.3 t -124.64 101.08 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.506 ' CE1' ' OG1' ' A' ' 118' ' ' THR . 20.0 p80 -91.92 -44.5 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.506 ' OG1' ' CE1' ' A' ' 117' ' ' HIS . 93.6 m -110.18 128.82 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 152.4 28.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -68.07 139.17 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -91.06 63.09 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 122' ' ' THR . 1.4 t -171.88 128.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.9 p -78.64 136.73 37.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.74 133.58 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 127' ' ' SER . 30.8 t -46.43 127.43 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 126' ' ' SER . 4.3 t -34.74 107.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.806 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -103.12 176.27 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.837 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -98.42 117.91 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -151.09 10.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -173.74 114.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -71.32 -55.49 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.38 -169.76 39.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.6 mm? -86.94 135.16 33.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.09 -122.71 3.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -46.7 -47.37 20.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -110.49 142.86 41.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 2.2 p30 -111.48 160.39 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 19.4 t80 -36.67 -56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 7.1 m-80 -57.48 -35.45 70.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.1 t -70.29 -56.96 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.672 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -51.29 -44.43 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 26' ' ' ILE . 38.4 mm -65.19 -47.6 86.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.21 -26.76 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.7 -36.73 37.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.672 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.1 mtp -76.11 -31.86 58.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -75.34 -42.64 53.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 63.26 48.84 3.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -39.32 3.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 58.4 mtm180 -38.81 138.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -68.07 116.67 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.555 ' CG2' HG23 ' A' ' 110' ' ' ILE . 31.8 mt -86.21 141.62 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -132.02 136.57 47.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -86.0 106.43 17.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 73' ' ' LEU . 16.2 mm -88.03 115.15 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -98.83 108.08 20.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.6 mt -105.97 133.32 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.809 ' O ' HG21 ' A' ' 66' ' ' VAL . 4.9 tt0 -93.33 95.95 9.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.457 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -54.88 114.06 6.38 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.73 -163.33 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -77.17 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLY . 40.4 p -113.42 -57.73 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -32.49 130.68 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -63.93 156.58 43.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.6 mt -34.86 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 91.17 6.27 66.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CD1' HG13 ' A' ' 58' ' ' VAL . 3.0 p90 -138.92 131.84 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 m -93.55 176.02 6.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 6.3 m -142.37 152.43 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 59' ' ' LYS . 6.6 m -119.34 149.57 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -108.02 126.72 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -137.78 107.58 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 48' ' ' SER . 5.2 tmm_? -51.05 128.73 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.459 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.0 OUTLIER -89.42 151.37 22.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 50' ' ' ASN . 7.0 pt20 -76.25 -36.34 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 4.3 m120 -34.39 -61.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 52' ' ' GLY . 3.4 tt -175.23 159.22 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.635 ' N ' HD23 ' A' ' 51' ' ' LEU . . . -27.89 88.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.1 ptmm? -168.39 160.69 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 93' ' ' HIS . 12.6 t -122.75 145.48 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -108.4 112.23 24.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 93' ' ' HIS . 20.4 mm -86.3 123.11 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 78' ' ' GLN . 90.4 m-85 -115.1 140.48 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 41' ' ' PHE . 87.8 t -73.33 110.69 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 44' ' ' VAL . 9.2 mmmt -122.94 151.58 41.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 69.26 52.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.05 90.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -65.49 123.76 85.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.696 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.66 41.52 2.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.414 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 21.3 m -142.65 174.12 10.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.809 HG21 ' O ' ' A' ' 32' ' ' GLU . 10.1 p -56.59 -47.7 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.549 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -46.77 -27.57 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -83.67 -58.45 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -24.67 47.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.32 172.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -53.45 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -146.67 131.86 18.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 29' ' ' ILE . 3.4 tt -162.04 123.89 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -113.81 156.53 23.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 17.7 tt0 -65.36 171.92 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 12.5 p30 47.64 40.29 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.565 ' HB3' HG11 ' A' ' 111' ' ' VAL . 30.8 m-20 -93.63 106.57 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 57' ' ' PHE . 4.2 tt0 -64.4 94.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 HD13 ' A' ' 109' ' ' LEU . 17.2 mt -64.87 106.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.94 -50.52 22.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.3 153.57 51.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.549 HG12 HD22 ' A' ' 109' ' ' LEU . 64.5 mt -132.07 119.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.8 m120 58.98 44.68 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 67.48 54.15 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 93.2 m -164.77 111.28 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.7 Cg_endo -69.78 144.51 54.19 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 mt -97.23 44.57 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' ASN . 7.5 p-10 -72.41 -175.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -41.13 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' ASP . 92.2 m-20 -61.01 -56.0 26.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 95' ' ' GLN . 4.0 mt -102.34 136.87 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.2 m -87.67 -175.46 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.825 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.7 p-80 -65.23 -40.5 94.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 9.5 mm-40 -56.85 -65.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.539 ' HB2' HG23 ' A' ' 91' ' ' ILE . 8.5 mm-40 -41.83 -44.92 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.64 -45.66 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.0 mt -61.05 -41.31 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -57.47 -61.21 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.9 mt -37.92 -44.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HB3' HD11 ' A' ' 39' ' ' LEU . 16.5 mt -66.62 -46.55 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -71.39 -13.19 61.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -119.73 42.48 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.613 HG21 HD13 ' A' ' 107' ' ' LEU . 3.1 m -103.59 147.87 26.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 106' ' ' SER . 1.1 p -131.6 172.12 12.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.94 -89.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 104' ' ' THR . 1.3 t -120.42 152.97 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 109' ' ' LEU . 42.7 tp -122.08 104.47 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.797 ' O ' HD23 ' A' ' 109' ' ' LEU . 7.3 ttm180 -96.92 130.32 44.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.797 HD23 ' O ' ' A' ' 108' ' ' ARG . 30.0 mt -133.37 122.47 23.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.555 HG23 ' CG2' ' A' ' 26' ' ' ILE . 87.8 mt -97.06 102.95 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.565 HG11 ' HB3' ' A' ' 77' ' ' ASP . 32.6 m -105.07 159.86 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -114.32 161.06 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -142.17 157.3 45.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -80.79 137.19 50.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.699 0.761 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 179.8 3.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -142.53 140.78 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -107.39 136.01 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.6 p -56.52 118.13 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -128.97 173.65 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 t -81.24 146.18 30.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.0 t -149.41 168.61 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.1 t -109.17 157.58 18.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -108.4 168.82 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.26 69.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 126' ' ' SER . 53.7 Cg_endo -69.85 -48.64 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.662 2.242 . . . . 0.0 112.32 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 125' ' ' PRO . 54.0 p 34.76 41.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.3 t -142.67 146.68 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -148.55 141.06 24.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -160.22 126.03 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.63 111.08 3.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -131.97 161.34 33.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -67.84 137.97 55.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.36 167.93 0.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.3 mm? -63.64 159.11 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.57 -129.66 3.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.57 -44.05 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -105.65 164.32 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.1 p-10 -128.69 145.6 51.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.8 -32.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -76.08 -34.85 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' ASP . 8.4 t -73.31 -53.58 10.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.0 -45.45 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 81' ' ' ALA . 29.7 mm -65.25 -48.86 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -61.05 -18.95 60.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -86.18 -34.55 20.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.9 mtp -80.02 -33.11 39.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.64 67.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 53.52 38.53 28.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.22 -25.36 14.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -49.48 141.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -64.71 118.22 8.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -84.85 145.49 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -138.74 126.7 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -86.98 101.73 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.972 HD12 ' O ' ' A' ' 72' ' ' ARG . 7.7 mm -89.95 106.74 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -89.98 102.84 15.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.779 HD11 ' CD1' ' A' ' 73' ' ' LEU . 47.7 mt -98.29 128.76 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ARG . 5.5 mt-10 -77.92 78.53 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' NH1' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -38.09 110.39 0.53 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.544 0.687 . . . . 0.0 110.877 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.94 24.28 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -44.35 -56.09 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -61.35 -22.04 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.088 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.56 -169.3 40.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . 86.58 57.49 2.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.539 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.4 mt -35.48 -31.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 89.42 4.23 74.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.518 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.9 p90 -134.89 135.96 42.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -94.5 172.91 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.4 141.38 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m -110.75 133.59 55.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -93.46 126.73 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD12 ' CD1' ' A' ' 57' ' ' PHE . 14.3 mt -139.32 108.61 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 48' ' ' SER . 3.8 tmm_? -51.45 124.12 11.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.467 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -76.29 168.1 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -90.46 -35.97 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -39.04 -59.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -174.19 -176.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.831 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -46.15 89.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.5 ptmt -165.92 164.05 18.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.686 HG11 ' HB3' ' A' ' 93' ' ' HIS . 21.5 t -123.2 145.61 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -105.36 109.46 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' A' ' 93' ' ' HIS . 12.1 mm -87.5 120.75 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 78' ' ' GLN . 82.1 m-85 -116.18 155.18 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.5 t -83.16 113.83 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 25.1 mmtt -131.25 144.65 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t0 75.03 49.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -75.2 94.64 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -62.48 133.52 94.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.08 37.34 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.32 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.5 60.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.483 ' CB ' ' HA3' ' A' ' 40' ' ' GLY . 1.3 p -162.03 162.82 28.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' H ' ' A' ' 67' ' ' ALA . 2.5 m -38.52 -59.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.677 ' H ' HG23 ' A' ' 66' ' ' VAL . . . -38.94 -37.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -83.85 -52.71 6.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 1.4 ptt85 -84.19 24.52 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 3.3 t70 -95.85 164.95 12.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 2.1 tp-100 -36.67 -56.11 0.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.972 ' O ' HD12 ' A' ' 29' ' ' ILE . 10.0 ttt180 -174.74 120.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.779 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.4 tt -155.37 119.53 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -109.83 161.03 15.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 9.6 tt0 -66.32 174.92 2.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 9.6 p30 45.81 44.19 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 58' ' ' VAL . 10.2 m-20 -106.67 106.19 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.54 ' OE1' HD23 ' A' ' 80' ' ' LEU . 1.7 tm0? -69.25 117.31 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.58 106.85 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.54 HD23 ' OE1' ' A' ' 78' ' ' GLN . 46.9 mt -72.57 -43.02 63.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.537 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -141.83 153.81 44.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.567 HG12 HD22 ' A' ' 109' ' ' LEU . 62.4 mt -131.65 114.3 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.27 48.62 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 67.1 t60 64.62 51.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.5 m -160.98 114.36 1.31 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.36 50.63 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 96' ' ' ALA . 2.2 mt -98.75 41.25 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' GLN . 18.3 p-10 -76.31 -175.23 3.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.58 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.3 pt20 -34.52 -42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 5.9 m-20 -49.41 -53.47 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.1 mt -100.33 142.79 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -100.59 -175.17 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.89 ' HA ' HD11 ' A' ' 56' ' ' ILE . 2.9 p-80 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 46.5 mt-30 -55.5 -56.33 21.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.46 ' HB2' HG23 ' A' ' 91' ' ' ILE . 32.6 mt-30 -49.98 -49.65 49.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -48.34 -45.23 35.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 100' ' ' LEU . 19.4 mt -62.49 -45.72 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -56.36 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.5 mt -39.12 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB3' HD11 ' A' ' 39' ' ' LEU . 6.5 mt -85.28 -63.72 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -58.9 -11.08 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' THR . 17.1 mt-30 -101.77 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' GLN . 2.3 m -33.32 135.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -125.62 147.98 49.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.32 -89.83 1.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -109.06 135.81 49.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 tp -123.32 103.81 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.605 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.8 ttm105 -97.64 132.3 43.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 108' ' ' ARG . 26.7 mt -133.03 131.19 40.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' A' ' 81' ' ' ALA . 77.3 mt -107.25 100.65 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.1 m -105.06 156.77 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -110.71 162.41 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.426 HH21 HD11 ' A' ' 29' ' ' ILE . 11.9 mtt180 -140.98 147.72 39.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -79.27 134.79 58.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 117' ' ' HIS . 53.4 Cg_endo -69.79 159.38 53.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 116' ' ' VAL . 10.0 p 30.1 38.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 115' ' ' PRO . 6.6 p-80 -59.34 141.34 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.1 p -83.34 137.6 33.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -75.73 89.04 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.0 m -111.27 171.13 7.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.4 t 49.09 47.07 22.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 44.9 p -116.77 110.77 18.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t 64.97 35.58 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -81.86 -73.25 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.75 68.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 t 72.75 38.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 40.4 m -52.22 155.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -172.6 158.42 4.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -161.51 145.37 12.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.41 -66.32 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -136.05 147.58 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t -89.17 92.1 9.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.0 155.73 17.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 12' ' ' ASP . 6.0 mp -68.83 114.86 7.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.53 -103.49 2.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.534 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -47.54 -54.67 11.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -108.52 148.39 30.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.791 ' HA ' HD23 ' A' ' 8' ' ' LEU . 3.9 p-10 -127.37 169.33 13.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' H ' ' CD2' ' A' ' 8' ' ' LEU . 9.6 t80 -40.61 -51.07 3.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -61.61 -33.02 73.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.4 t -74.37 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.77 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.7 p -45.72 -46.72 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.781 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.8 mm -61.87 -51.76 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -58.51 -32.67 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.79 -41.17 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.77 ' SD ' HG22 ' A' ' 16' ' ' VAL . 21.9 mtp -69.36 -37.53 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.48 -34.97 79.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 58.99 42.1 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.54 -28.12 9.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -46.41 137.4 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 113' ' ' ARG . 12.0 tt0 -62.14 114.14 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 17' ' ' ILE . 47.3 mt -87.47 142.24 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -137.29 127.07 25.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -76.58 101.45 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG21 ' HG ' ' A' ' 73' ' ' LEU . 33.6 mm -93.49 104.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -92.33 136.16 33.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.617 HD11 ' CD1' ' A' ' 73' ' ' LEU . 96.7 mt -132.2 131.17 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' O ' HG21 ' A' ' 66' ' ' VAL . 11.3 mt-10 -88.89 97.63 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -46.97 124.07 8.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.17 25.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 m -78.55 -52.72 8.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -109.8 -44.21 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.04 -163.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -131.7 170.15 21.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.447 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -36.46 -39.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.6 9.09 65.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.3 p90 -141.93 132.03 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 m -90.58 165.77 13.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' HB ' HG23 ' A' ' 56' ' ' ILE . 28.9 m -136.05 147.2 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -116.79 134.5 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.39 115.71 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' C ' HG13 ' A' ' 54' ' ' VAL . 26.9 mt -135.72 116.02 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -44.59 121.76 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.22 163.31 15.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -94.93 38.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -115.61 -77.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.874 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.19 132.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 26.73 75.39 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.436 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -174.62 162.33 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 55' ' ' ASP . 42.7 t -124.97 155.95 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.546 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . 18.4 m-20 -113.46 119.08 36.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.427 HG23 ' HB ' ' A' ' 43' ' ' VAL . 24.1 mm -89.96 111.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 79.6 m-85 -108.36 140.17 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG12 HG22 ' A' ' 61' ' ' VAL . 97.1 t -77.96 110.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -114.29 155.06 26.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t0 58.25 49.85 10.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.644 HG22 HG12 ' A' ' 58' ' ' VAL . 85.1 t -70.34 91.76 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.6 118.81 28.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.9 27.25 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.27 38.23 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.463 ' CA ' ' HD3' ' A' ' 69' ' ' ARG . 82.4 p -137.04 146.21 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.872 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 70' ' ' ASP . 10.4 p -35.12 -39.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -33.74 -54.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.9 t70 -114.11 -58.88 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HD3' ' CA ' ' A' ' 65' ' ' SER . 14.9 ptt85 -35.25 -43.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.621 ' HB2' HG23 ' A' ' 66' ' ' VAL . 34.8 t70 -52.4 -61.77 2.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -128.8 -73.82 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 ttp85 -174.98 150.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.617 ' CD1' HD11 ' A' ' 31' ' ' ILE . 1.6 tt -176.71 136.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.6 mmmp? -113.03 162.63 15.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -80.74 160.43 24.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 60.04 32.48 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -92.06 106.39 18.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.562 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 3.5 tt0 -70.59 111.45 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.63 108.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.3 mt -76.88 -47.84 20.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.781 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -134.17 153.47 51.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.776 HG22 ' ND2' ' A' ' 83' ' ' ASN . 36.6 mt -132.11 123.81 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.776 ' ND2' HG22 ' A' ' 82' ' ' ILE . 21.0 p30 47.13 47.55 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 67.6 54.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 20.8 m -163.33 105.23 0.98 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 111.155 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 53.6 Cg_endo -69.77 142.29 47.51 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.653 HD21 HD12 ' A' ' 82' ' ' ILE . 17.8 mt -94.95 43.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -58.82 177.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -43.3 -26.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -62.08 -48.23 81.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.401 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -95.76 130.29 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.5 m -88.03 -175.1 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.454 ' CE1' ' HG3' ' A' ' 94' ' ' GLN . 3.5 p-80 -63.73 -42.57 97.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 38.5 mt-30 -54.49 -64.58 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.5 mm100 -42.59 -48.44 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.63 -52.39 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.439 HG22 ' HG3' ' A' ' 101' ' ' GLN . 18.6 mt -56.68 -46.63 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.86 65.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.6 mt -47.01 -45.17 20.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.447 ' HB3' HD11 ' A' ' 39' ' ' LEU . 12.6 mt -73.57 -49.72 24.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.439 ' HG3' HG22 ' A' ' 97' ' ' ILE . 22.1 mt-30 -64.21 -13.91 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 103' ' ' THR . 30.6 mt-30 -105.42 -68.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.5 m -34.85 118.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.47 175.74 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 44.16 -159.01 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' GLY . 76.5 p -33.91 133.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.7 tp -133.44 103.11 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -82.31 126.1 31.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 31' ' ' ILE . 72.1 mt -125.67 114.89 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 90.9 mt -92.47 99.97 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.3 m -105.29 158.26 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -99.42 156.35 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' GLN . 21.7 ttm-85 -126.92 155.49 42.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.96 133.39 20.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.63 3.03 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 116' ' ' VAL . 12.5 p -92.73 124.79 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -135.7 179.49 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 119' ' ' LYS . 42.5 p -118.56 40.25 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 118' ' ' THR . 36.6 tttp -34.6 -53.41 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.0 t -149.92 160.31 43.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.7 p -118.47 176.65 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.5 p 41.26 40.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.0 m -78.55 80.28 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.419 ' HA2' ' HD2' ' A' ' 125' ' ' PRO . . . -95.2 105.38 3.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.465 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.419 ' HD2' ' HA2' ' A' ' 124' ' ' GLY . 53.7 Cg_endo -69.79 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.335 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.7 p -95.89 162.48 13.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.8 t -69.45 -49.8 51.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.532 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -165.71 122.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -61.19 -47.15 87.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.37 122.61 3.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 p -125.71 143.5 51.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -83.9 -67.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.86 -154.29 10.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.95 -71.9 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.31 -145.4 17.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -40.12 -70.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CD ' ' HB ' ' A' ' 16' ' ' VAL . 21.4 tt0 -97.46 132.86 42.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.4 149.91 20.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -47.75 -43.17 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -67.43 -23.83 65.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 -54.44 4.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -48.82 -44.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 81' ' ' ALA . 29.1 mm -64.6 -43.31 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -65.41 -26.93 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.2 -36.35 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.621 ' SD ' HG22 ' A' ' 16' ' ' VAL . 39.0 mtp -75.23 -34.11 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.61 69.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 55.99 46.18 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.56 -26.95 6.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -48.6 142.6 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.58 115.86 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.6 mt -85.27 141.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' NE ' ' A' ' 113' ' ' ARG . 11.9 mt-10 -133.43 144.74 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -96.61 102.93 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 72' ' ' ARG . 22.2 mm -91.59 101.14 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -87.9 103.54 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.502 HD11 ' CD1' ' A' ' 73' ' ' LEU . 80.5 mt -96.93 143.59 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -105.36 97.21 7.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD3' HD21 ' A' ' 39' ' ' LEU . 8.9 mmm180 -46.88 121.98 7.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -167.74 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.7 m -121.85 -30.97 4.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -95.92 -69.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.1 -119.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.57 -163.78 23.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -46.41 -27.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.9 10.92 68.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.7 p90 -142.97 135.71 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -99.82 176.09 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.67 154.13 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 4.3 m -120.8 142.56 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.31 122.3 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.443 HD12 ' CD2' ' A' ' 57' ' ' PHE . 23.5 mt -135.05 110.21 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -56.65 119.96 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.1 t -75.39 132.38 40.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -39.04 -28.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' SER . 25.3 t30 -61.6 -175.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -53.26 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.706 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -48.06 90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.5 ptmt -159.54 145.4 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 93' ' ' HIS . 10.5 t -117.69 149.06 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 7.1 m-20 -108.44 121.8 45.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.853 HD11 ' HA ' ' A' ' 93' ' ' HIS . 25.3 mm -95.2 115.81 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CD2' HD12 ' A' ' 46' ' ' LEU . 82.6 m-85 -112.23 157.38 20.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.448 HG12 ' CG2' ' A' ' 61' ' ' VAL . 76.1 t -88.89 119.2 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 18.3 mmmt -128.34 167.91 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.06 49.53 20.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' CG2' HG12 ' A' ' 58' ' ' VAL . 93.2 t -74.06 94.02 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -57.21 124.74 67.93 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.03 4.8 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.0 56.75 0.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' VAL . 2.5 m -164.23 166.63 20.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.867 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 67' ' ' ALA . 1.7 m -34.01 -52.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -29.36 -44.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.076 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 66' ' ' VAL . 1.4 p-10 -106.99 -69.82 0.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -38.43 -32.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 13.6 t0 -74.55 -174.24 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' ASP . 4.9 tp-100 -33.19 -72.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' O ' HG23 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -176.56 151.41 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.1 tt -174.84 115.27 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -103.29 164.76 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.46 164.88 25.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 62.06 26.86 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.4 m-20 -87.19 100.92 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.473 ' OE1' ' CD2' ' A' ' 80' ' ' LEU . 3.0 tm0? -67.63 105.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -69.15 108.08 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 112' ' ' ALA . 20.5 mt -74.25 -43.86 55.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -140.87 153.36 45.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.537 HG12 HD22 ' A' ' 109' ' ' LEU . 73.1 mt -130.17 108.82 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.679 HD21 HD12 ' A' ' 107' ' ' LEU . 10.0 m120 58.99 53.46 5.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.421 ' HB2' ' NH2' ' A' ' 108' ' ' ARG . 8.2 t-80 64.42 52.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.7 m -162.63 105.41 1.06 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 111.181 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.73 48.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mt -98.28 49.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 90' ' ' ASN . 4.5 p30 -81.97 -174.99 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.667 ' HB3' HD21 ' A' ' 51' ' ' LEU . 12.0 pt20 -39.09 -29.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 88' ' ' ASP . 54.3 m-20 -58.38 -57.39 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -99.87 138.32 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 m -88.8 -174.55 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.853 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.5 p-80 -63.67 -47.39 81.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.617 ' CD ' ' CE1' ' A' ' 93' ' ' HIS . 28.3 mp0 -49.13 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.632 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.5 mp0 -39.61 -51.18 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.458 ' CB ' HG13 ' A' ' 56' ' ' ILE . . . -47.05 -46.64 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -63.89 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -56.1 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 mt -39.03 -36.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -76.66 -63.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.87 -14.94 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.49 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.407 HG21 ' OD1' ' A' ' 83' ' ' ASN . 4.4 m -42.56 112.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.0 m -91.87 151.96 20.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 69.28 -162.02 51.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.517 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 105' ' ' GLY . 11.1 m -34.47 118.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.679 HD12 HD21 ' A' ' 83' ' ' ASN . 47.1 tp -115.81 104.48 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.721 ' O ' HD23 ' A' ' 109' ' ' LEU . 46.7 ttp180 -82.12 141.85 32.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 108' ' ' ARG . 64.1 mt -142.73 110.89 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 92.2 mt -88.03 100.52 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.7 m -106.1 158.85 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.549 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -114.52 155.27 26.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.488 HH21 HD11 ' A' ' 29' ' ' ILE . 14.9 mtt180 -135.4 145.71 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.89 135.49 35.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -179.25 2.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.234 . . . . 0.0 112.347 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 8.0 p -106.76 143.94 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -101.85 -67.98 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.9 t -110.75 144.93 38.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -99.69 159.29 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.5 t -147.26 160.56 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.8 m -109.35 124.39 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 t -105.89 155.12 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.3 t -105.96 133.56 50.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 141.35 143.89 4.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.96 55.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.6 m -152.64 115.31 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.0 t -143.89 128.98 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -144.16 163.08 34.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -90.53 42.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.77 110.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -78.36 161.47 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -151.9 119.98 6.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.95 123.96 3.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -53.28 175.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.92 -124.58 1.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -51.21 -59.32 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -101.94 138.09 39.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.7 OUTLIER -92.01 153.6 19.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.438 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.3 t80 -37.83 -39.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.82 -40.97 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.2 t -65.0 -52.55 55.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.682 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.5 p -49.79 -47.9 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 81' ' ' ALA . 35.3 mm -60.72 -49.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -59.68 -36.71 77.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -69.41 -34.97 75.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.682 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.5 mtp -77.9 -30.68 50.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -32.28 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.41 43.49 6.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.89 -25.01 7.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -47.19 140.46 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -63.63 111.55 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 28.6 mt -83.78 145.09 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -136.38 131.6 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -89.62 105.96 18.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 72' ' ' ARG . 10.9 mm -93.05 101.4 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -84.23 103.46 13.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -99.27 136.73 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -110.74 101.99 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 5.1 mmm180 -49.18 121.14 10.63 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.39 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.72 -175.33 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -57.19 -13.43 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.95 -91.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.0 -135.84 1.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' CD2' ' HD3' ' A' ' 33' ' ' ARG . 2.3 mt -124.18 -20.6 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.66 5.09 90.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' CE2' HD13 ' A' ' 39' ' ' LEU . 5.1 p90 -133.27 130.93 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -94.3 176.01 6.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -144.96 165.39 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 4.5 m -130.86 145.6 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -100.53 121.38 41.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.67 HD12 ' CD2' ' A' ' 57' ' ' PHE . 8.7 mt -139.05 110.53 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -53.72 136.39 39.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 t -90.68 129.91 36.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -48.34 -34.04 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -39.06 -71.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.8 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -170.15 -174.99 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.8 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -42.43 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' LEU . 18.5 ptmt -172.45 162.38 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 93' ' ' HIS . 13.2 t -130.96 138.34 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 6.5 m-20 -99.97 114.85 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 93' ' ' HIS . 45.4 mm -86.55 105.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.67 ' CD2' HD12 ' A' ' 46' ' ' LEU . 86.3 m-85 -97.84 140.66 31.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 61' ' ' VAL . 56.1 t -77.03 106.37 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -113.2 153.35 28.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.42 54.28 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG22 HG12 ' A' ' 58' ' ' VAL . 84.8 t -75.64 102.18 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.52 122.9 63.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -15.56 37.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.32 40.98 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.3 m -127.37 169.37 13.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.8 p -53.95 -44.04 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.6 -24.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 66' ' ' VAL . 5.7 t70 -106.19 -69.15 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -40.9 -33.38 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' A' ' 71' ' ' GLN . 0.3 OUTLIER -66.75 -55.29 15.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 2.9 tp60 -163.06 162.87 26.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -56.52 122.01 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' CD2' HG11 ' A' ' 58' ' ' VAL . 2.5 tt -145.25 116.3 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -99.15 165.4 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -76.05 167.55 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 54.69 30.46 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -86.54 101.12 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.0 tt0 -63.41 109.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.563 HG21 ' CG1' ' A' ' 82' ' ' ILE . 28.4 mt -75.29 110.97 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.23 -45.83 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -137.47 149.96 47.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.663 HG12 HD22 ' A' ' 109' ' ' LEU . 95.1 mt -131.94 116.99 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 m120 61.26 45.14 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 66.46 54.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.5 m -166.16 112.37 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.559 0.695 . . . . 0.0 111.156 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 mt -92.21 45.32 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 89' ' ' GLN . 24.6 t0 -67.73 173.82 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' HB3' HD21 ' A' ' 51' ' ' LEU . 8.5 pt20 -34.26 -42.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -46.65 -59.31 3.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.422 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.0 mt -90.02 133.49 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 m -90.31 -176.57 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.655 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.3 p-80 -63.91 -40.07 95.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.492 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 47.0 mt-30 -59.46 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.422 ' HB2' HG23 ' A' ' 91' ' ' ILE . 12.5 mt-30 -45.74 -45.37 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.17 61.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.0 mt -59.1 -45.05 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB1' HE21 ' A' ' 102' ' ' GLN . . . -52.12 -50.51 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -48.98 -36.61 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' A' ' 39' ' ' LEU . 24.9 mt -72.65 -59.08 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -65.42 -14.35 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.477 HE21 ' HB1' ' A' ' 98' ' ' ALA . 29.5 mt-30 -114.76 47.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -154.73 108.81 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.15 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.56 -77.77 2.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.3 p -126.13 142.48 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.5 tp -139.01 106.5 5.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.688 ' O ' HD23 ' A' ' 109' ' ' LEU . 8.8 ttm180 -100.54 133.01 45.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 108' ' ' ARG . 30.8 mt -133.69 124.46 26.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.623 HD12 ' HB3' ' A' ' 81' ' ' ALA . 33.1 mt -100.42 100.86 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 79' ' ' ILE . 19.1 m -105.02 158.85 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.33 165.98 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -137.07 153.14 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -104.42 127.29 29.36 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.617 0.722 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 176.74 6.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.7 t -140.07 151.54 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -121.99 162.57 20.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 m -39.51 144.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -158.13 178.57 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.7 p -123.17 -177.19 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.8 p -166.12 172.1 11.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.0 t -149.52 169.99 19.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.8 m -141.02 179.75 6.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.76 -95.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.82 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.7 p -58.0 -46.21 85.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 60.6 p -165.74 143.14 5.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -46.75 153.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -128.17 120.18 26.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 72.3 1.22 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -49.8 132.2 22.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 -177.26 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 39.29 68.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD13 ' H ' ' A' ' 13' ' ' PHE . 5.2 mp -42.88 167.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . -94.83 -131.9 6.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' GLY . 5.8 m120 -34.51 -69.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -95.15 120.13 34.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.9 p30 -100.33 157.5 16.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' H ' HD13 ' A' ' 8' ' ' LEU . 18.7 t80 -37.12 -59.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -55.68 -31.53 62.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.5 t -73.4 -54.7 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.6 p -54.89 -44.32 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.742 HD11 ' HB2' ' A' ' 81' ' ' ALA . 32.1 mm -64.72 -51.04 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -59.81 -32.43 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -74.04 -40.19 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 16' ' ' VAL . 55.5 mtp -69.96 -36.24 75.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 -34.4 72.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 60.74 47.96 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.12 -28.49 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -45.54 132.98 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -62.74 115.01 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 110' ' ' ILE . 43.5 mt -86.55 141.9 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.87 122.65 23.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -72.33 102.56 3.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.846 HD12 ' O ' ' A' ' 72' ' ' ARG . 21.7 mm -90.05 101.78 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.93 116.29 27.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.659 HD11 ' CD1' ' A' ' 73' ' ' LEU . 97.6 mt -115.13 127.53 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -89.3 99.98 12.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 39' ' ' LEU . 7.5 mmm180 -57.26 122.24 53.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -175.11 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.315 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' GLY . 98.2 p -83.36 114.07 21.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.4 p 40.15 25.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -91.96 -111.68 1.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.27 175.95 44.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 100' ' ' LEU . 1.7 mt -82.99 -21.79 33.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.61 11.64 72.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.5 p90 -140.99 143.01 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.4 m -100.86 175.12 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.26 150.31 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.7 m -120.65 135.53 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 120.01 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.9 mt -133.96 118.76 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.6 tmm_? -61.03 120.27 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 2.0 t -77.24 136.62 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -39.5 -35.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.85 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.822 HD21 ' HB2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -51.62 -179.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.785 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -46.76 89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' LEU . 7.3 ptpt -155.82 153.22 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 93' ' ' HIS . 10.9 t -120.94 155.32 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 57' ' ' PHE . 69.5 m-20 -119.59 113.84 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.825 HD11 ' HA ' ' A' ' 93' ' ' HIS . 27.5 mm -86.28 126.74 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 32.8 m-85 -119.23 147.9 43.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.646 HG11 HD21 ' A' ' 73' ' ' LEU . 86.0 t -82.35 108.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -119.49 166.03 13.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.1 t0 51.09 54.48 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.54 82.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -47.05 118.86 5.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.457 ' HA ' ' CG ' ' A' ' 68' ' ' ASP . 53.5 Cg_endo -69.81 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.238 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 45.71 1.23 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -147.92 172.34 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.617 HG13 ' N ' ' A' ' 67' ' ' ALA . 14.8 p -48.06 -51.14 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.617 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -41.84 -58.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.457 ' CG ' ' HA ' ' A' ' 63' ' ' PRO . 30.6 t0 -56.39 -70.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.58 -18.59 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 16.5 t70 -46.64 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.19 -62.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.846 ' O ' HD12 ' A' ' 29' ' ' ILE . 8.4 tpp180 -151.76 125.75 9.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.659 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.5 tt -169.81 116.27 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -112.73 163.78 14.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 58.5 tt0 -69.2 159.72 32.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 75.2 m-80 63.2 34.6 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HB3' HG11 ' A' ' 111' ' ' VAL . 7.0 m-20 -94.8 99.97 11.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.566 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -63.51 109.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.416 HG21 ' CG1' ' A' ' 82' ' ' ILE . 26.1 mt -74.14 106.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 112' ' ' ALA . 83.3 mt -74.68 -47.34 32.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.742 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -137.18 152.82 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 109' ' ' LEU . 87.7 mt -132.4 112.97 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.3 45.35 8.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.4 t60 69.14 42.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.2 m -151.95 105.0 2.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.18 44.58 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 96' ' ' ALA . 21.6 mt -92.2 38.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -58.68 179.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.822 ' HB2' HD21 ' A' ' 51' ' ' LEU . 6.0 pt20 -44.16 -29.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 8.9 m120 -55.68 -57.34 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -91.2 143.88 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.825 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.2 p-80 -59.38 -39.44 83.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.412 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 59.2 mt-30 -60.81 -62.5 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.495 ' HB2' HG23 ' A' ' 91' ' ' ILE . 12.3 mt-30 -44.8 -41.88 7.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -54.58 -49.8 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.96 -45.01 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -48.65 -61.36 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.4 mt -35.52 -41.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.526 HD22 HD21 ' A' ' 107' ' ' LEU . 18.7 mt -69.53 -47.43 63.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ALA . 32.0 mt-30 -69.18 -19.69 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -113.62 50.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.1 m -158.93 110.4 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.18 160.88 20.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.75 -61.42 3.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.0 m -143.79 137.44 28.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.9 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD21 HD22 ' A' ' 100' ' ' LEU . 48.2 tp -132.9 101.47 5.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 104.87 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.527 ' CD2' HG23 ' A' ' 82' ' ' ILE . 47.6 mt -107.21 119.15 38.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.41 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 79.5 mt -96.81 104.45 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.421 HG11 ' HB3' ' A' ' 77' ' ' ASP . 15.7 m -104.85 166.98 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.588 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -115.76 167.6 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -144.81 153.52 41.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.13 134.54 49.08 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 175.78 7.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.384 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.8 t -141.71 123.89 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -111.93 -54.53 2.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 75.1 p -51.87 156.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -82.36 -52.47 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 82.2 p -67.03 135.9 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.4 p -130.77 162.11 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 91.8 m -105.24 99.34 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 55.5 p -95.46 170.25 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -136.74 146.2 18.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.21 46.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.6 p -117.08 170.78 8.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' GLY . 1.2 t -96.77 161.63 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -153.83 111.13 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -69.49 87.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.14 132.98 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -162.54 174.63 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -146.37 110.89 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.07 -96.77 0.15 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 8' ' ' LEU . 4.4 mm? -70.46 -72.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.75 -143.9 18.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.418 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 8.6 m-80 -41.64 -64.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.27 140.45 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 -108.31 164.92 11.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 4.8 t80 -43.14 -38.72 2.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.32 -32.92 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.7 t -72.81 -51.31 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -50.23 -44.13 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.628 HD11 ' HB2' ' A' ' 81' ' ' ALA . 34.5 mm -60.58 -53.0 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -55.49 -37.52 67.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -67.92 -34.15 76.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.689 ' SD ' HG22 ' A' ' 16' ' ' VAL . 25.0 mtp -81.89 -29.94 32.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' NE ' ' A' ' 24' ' ' ARG . . . -73.2 -34.47 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 62.84 42.41 7.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.27 -24.59 8.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' O ' ' A' ' 21' ' ' ALA . 55.9 mtm180 -47.97 147.28 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -70.97 114.62 9.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 17' ' ' ILE . 53.1 mt -85.22 142.8 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -137.09 130.77 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -84.13 104.59 14.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 72' ' ' ARG . 4.5 mm -88.08 116.45 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -99.03 116.06 30.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.497 HD11 HD12 ' A' ' 73' ' ' LEU . 88.6 mt -119.35 132.21 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -89.88 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.679 HH11 HD21 ' A' ' 39' ' ' LEU . 3.9 mmm180 -62.16 119.63 50.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 173.07 11.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.6 t -38.84 -44.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.3 p -117.45 -170.16 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.21 89.85 1.59 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -139.59 43.73 1.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.679 HD21 HH11 ' A' ' 33' ' ' ARG . 1.0 OUTLIER -37.7 -38.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.46 11.86 63.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 2.5 p90 -148.22 128.82 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.339 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -89.01 175.14 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.11 146.74 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.0 m -114.68 146.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.16 126.92 50.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 57' ' ' PHE . 8.9 mt -140.52 108.02 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -50.84 122.61 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 3.8 t -76.06 144.37 40.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 40.5 mt-30 -67.77 -38.15 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 71.9 m-20 -34.46 -69.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -168.72 -178.57 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.779 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -40.2 91.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' LEU . 14.9 ptmt -173.31 164.15 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.78 HG11 ' HB3' ' A' ' 93' ' ' HIS . 24.7 t -122.3 149.33 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.548 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.5 m-20 -108.78 110.59 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.966 HD11 ' HA ' ' A' ' 93' ' ' HIS . 10.6 mm -89.21 123.38 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 80.3 m-85 -119.66 160.19 22.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.596 HG21 HD21 ' A' ' 73' ' ' LEU . 99.1 t -90.75 115.76 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmtt -126.62 153.02 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 61.86 48.44 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.472 HG22 HG12 ' A' ' 58' ' ' VAL . 57.7 t -70.02 100.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -65.94 112.62 9.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.04 15.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.31 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.36 39.13 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.2 m -138.63 172.73 12.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p -54.09 -31.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.43 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -80.19 -55.59 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -52.93 -28.74 24.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -51.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -47.04 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.687 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -174.02 126.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 58' ' ' VAL . 2.4 tt -141.84 115.77 9.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.33 155.77 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.76 158.24 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 63.01 31.0 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.486 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.7 m-20 -90.64 107.19 19.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.529 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 6.0 tt0 -70.56 113.37 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.654 ' O ' HD12 ' A' ' 87' ' ' LEU . 52.7 mt -74.66 108.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 112' ' ' ALA . 78.3 mt -75.41 -50.87 14.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.628 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -135.38 150.88 50.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.803 HG23 ' CD2' ' A' ' 109' ' ' LEU . 68.4 mt -130.04 114.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.517 HD21 HD12 ' A' ' 107' ' ' LEU . 1.4 m-80 62.64 46.38 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 13' ' ' PHE . 3.2 t-160 66.1 48.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 34.6 m -157.54 111.39 1.84 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.623 0.725 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.78 143.66 51.45 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 79' ' ' ILE . 25.6 mt -92.83 29.83 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -54.21 -176.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.583 ' HB3' HD21 ' A' ' 51' ' ' LEU . 2.0 pp0? -42.43 -45.14 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -44.67 -58.38 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.1 mt -91.89 135.77 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -97.51 -174.59 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.966 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.0 p-80 -60.39 -47.18 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.567 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 50.9 mt-30 -50.69 -67.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.519 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.4 mp0 -40.06 -50.58 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.576 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -48.86 -47.97 42.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.2 mt -58.72 -48.3 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.29 -56.2 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.4 mt -42.14 -35.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.617 ' HB3' HD11 ' A' ' 39' ' ' LEU . 20.1 mt -78.6 -60.42 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -58.59 -12.61 4.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' THR . 33.6 mt-30 -102.92 -64.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.456 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 m -34.52 136.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -127.84 173.59 9.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.96 -93.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.3 p -101.94 131.7 48.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.94 0.4 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD12 HD21 ' A' ' 83' ' ' ASN . 40.9 tp -124.93 108.06 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -97.82 126.48 43.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.803 ' CD2' HG23 ' A' ' 82' ' ' ILE . 38.6 mt -129.69 124.26 33.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' CG2' ' CG2' ' A' ' 26' ' ' ILE . 75.9 mt -98.03 100.33 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 79' ' ' ILE . 33.5 m -105.52 157.88 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -114.62 151.6 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 4.4 ptp180 -142.18 148.95 39.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -45.56 134.93 6.03 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.34 2.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.96 144.76 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -159.48 162.03 35.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -82.16 144.3 30.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -149.43 130.2 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -125.4 105.24 8.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -124.34 131.5 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.3 m -75.91 125.7 29.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 54.3 p -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -105.83 150.95 17.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.08 3.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.6 p -131.12 126.56 36.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.5 m -84.48 149.07 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 53.54 42.84 31.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -117.74 153.07 34.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 -176.15 16.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -137.96 144.76 41.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -75.26 159.62 31.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.1 147.87 23.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.39 167.58 21.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . -141.22 -127.83 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' GLY . 13.5 m-20 -37.77 -42.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.896 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.04 159.27 25.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.6 m-20 -125.56 166.72 16.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -41.98 -48.34 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.91 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.5 t -75.34 -54.97 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.643 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.3 p -48.87 -43.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.574 HD11 ' HB2' ' A' ' 81' ' ' ALA . 44.1 mm -65.91 -48.05 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -61.97 -24.34 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -82.23 -34.04 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.643 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.6 mtp -82.1 -26.32 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.95 -34.27 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 56.37 48.41 17.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.3 -36.4 3.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -39.6 135.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -61.5 119.15 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.539 ' CG2' HG23 ' A' ' 110' ' ' ILE . 48.0 mt -86.97 140.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -131.67 156.62 45.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -111.9 108.02 17.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 72' ' ' ARG . 8.0 mm -96.58 105.54 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -92.86 101.76 14.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.52 HD11 ' CD1' ' A' ' 73' ' ' LEU . 83.6 mt -96.16 135.36 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.62 107.93 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -63.57 121.77 72.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -173.4 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 t -91.5 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.7 p -107.05 20.09 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -110.41 -128.9 5.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.08 -178.36 44.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -55.43 -30.4 60.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.77 1.35 83.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.437 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CD1' HG13 ' A' ' 58' ' ' VAL . 4.0 p90 -134.01 137.61 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -98.89 175.41 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.77 -179.78 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -146.79 148.62 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' CB ' ' CG ' ' A' ' 93' ' ' HIS . . . -104.15 126.98 51.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.3 mt -143.67 109.6 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -46.11 116.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -62.23 168.52 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -97.23 13.85 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.2 -76.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.87 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -177.18 132.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 23.27 67.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 10.4 ptmt -162.85 149.74 12.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 93' ' ' HIS . 21.8 t -114.81 152.67 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 68.6 m-20 -110.15 124.9 52.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.863 HD11 ' HA ' ' A' ' 93' ' ' HIS . 22.7 mm -97.93 111.86 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 53.7 m-85 -107.78 148.3 29.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.505 HG21 HD21 ' A' ' 73' ' ' LEU . 47.8 t -80.21 118.87 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 11.7 mmmt -125.62 148.73 48.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.76 53.9 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.443 HG22 HG12 ' A' ' 58' ' ' VAL . 98.3 t -74.95 101.73 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -57.32 113.98 7.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.418 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 54.1 Cg_endo -69.72 0.6 5.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -123.63 -41.84 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -50.16 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.42 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 5.7 p -57.54 -39.42 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.28 -41.53 38.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 2.0 t70 -73.01 -73.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 66' ' ' VAL . 10.2 ptt180 -42.22 -26.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 71' ' ' GLN . 15.5 t70 -55.29 168.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.434 ' N ' ' CG ' ' A' ' 70' ' ' ASP . 30.1 tt0 -34.75 -70.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.711 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -174.72 132.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.52 ' CD1' HD11 ' A' ' 31' ' ' ILE . 2.4 tt -152.82 120.36 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -99.42 165.68 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -79.59 173.33 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 35.8 m120 49.25 29.46 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' OD2' ' NH1' ' A' ' 113' ' ' ARG . 8.6 m-20 -86.61 109.38 19.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.85 106.25 4.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.9 mt -70.86 110.21 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.42 -46.82 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -140.73 153.78 46.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 95.6 mt -129.72 107.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.7 ' ND2' HD12 ' A' ' 107' ' ' LEU . 1.9 m-80 62.99 54.68 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 60.56 48.85 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.7 m -159.12 105.0 1.55 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.545 0.688 . . . . 0.0 111.102 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.3 47.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.414 HD13 ' CB ' ' A' ' 96' ' ' ALA . 2.5 mt -94.82 31.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 90' ' ' ASN . 11.2 p30 -55.51 176.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' ASP . 16.5 pt20 -35.07 -34.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . 73.8 m-20 -51.7 -58.31 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.427 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.3 mt -94.97 131.32 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.8 m -84.01 -175.22 5.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.863 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.6 p-80 -64.51 -41.65 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.44 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 38.8 mt-30 -54.58 -68.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.427 ' HB2' HG23 ' A' ' 91' ' ' ILE . 22.4 mm-40 -42.31 -44.69 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.414 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -50.7 -43.56 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 40.7 mt -66.27 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -60.35 -57.3 13.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ALA . 41.7 mt -37.46 -31.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.749 ' HB3' HD11 ' A' ' 39' ' ' LEU . 13.6 mt -83.81 -62.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -53.36 -15.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' THR . 13.9 mt-30 -99.74 -68.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' GLN . 7.2 m -37.89 127.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.2 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.0 -176.83 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 39.82 -161.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 105' ' ' GLY . 2.8 m -31.93 139.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.851 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.7 HD12 ' ND2' ' A' ' 83' ' ' ASN . 51.0 tp -134.98 104.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.3 tmm_? -87.98 135.01 33.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 108' ' ' ARG . 49.0 mt -134.12 120.34 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.539 HG23 ' CG2' ' A' ' 26' ' ' ILE . 96.5 mt -92.19 100.24 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.02 160.9 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.06 155.8 19.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.537 HH21 HD11 ' A' ' 29' ' ' ILE . 15.0 mmt180 -134.0 164.83 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.476 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 31.3 tt0 -99.34 139.19 20.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' HIS . 54.1 Cg_endo -69.73 159.79 52.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 116' ' ' VAL . 10.0 p 30.22 38.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -56.6 152.76 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -134.65 168.11 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.542 ' HB2' HG21 ' A' ' 122' ' ' THR . 0.0 OUTLIER -147.21 159.14 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.948 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -149.19 145.03 26.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 t 43.54 49.48 6.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.542 HG21 ' HB2' ' A' ' 119' ' ' LYS . 61.7 p -92.44 40.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.165 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -81.81 99.22 8.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -109.28 146.36 16.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.69 46.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.5 t -129.33 93.43 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 t -112.61 133.95 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m 60.46 43.46 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -97.22 112.35 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.0 141.86 10.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -159.34 177.34 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 p -132.47 172.27 12.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.85 130.84 1.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.95 -58.78 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.65 -147.66 16.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -50.33 -49.44 53.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -101.64 148.64 25.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.31 160.38 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 4.2 t80 -47.19 -38.31 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -71.8 -34.09 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -72.68 -45.74 57.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.9 p -56.93 -45.37 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.608 HG22 HD13 ' A' ' 26' ' ' ILE . 29.6 mm -62.1 -50.55 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -58.78 -37.35 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -68.51 -37.36 79.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.716 ' SD ' HG22 ' A' ' 16' ' ' VAL . 30.5 mtp -73.82 -30.01 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.01 -33.2 63.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 61.19 38.82 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.63 -29.06 10.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -48.96 139.82 9.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -63.57 114.78 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.608 HD13 HG22 ' A' ' 17' ' ' ILE . 20.9 mt -86.91 140.16 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.39 126.4 33.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' CD2' HG12 ' A' ' 110' ' ' ILE . 19.5 m-85 -82.34 101.65 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.702 HD12 ' O ' ' A' ' 72' ' ' ARG . 11.1 mm -89.76 101.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -91.18 104.91 17.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.406 HD11 HD12 ' A' ' 73' ' ' LEU . 37.8 mt -93.25 136.02 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.513 ' O ' HG21 ' A' ' 66' ' ' VAL . 4.8 tt0 -103.22 86.26 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 103' ' ' THR . 3.2 ttp180 -49.64 125.95 17.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -174.61 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.3 m -81.69 -50.93 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.3 t -48.71 -29.98 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.0 132.97 7.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.489 ' C ' HD23 ' A' ' 39' ' ' LEU . . . 132.94 164.33 10.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD23 ' C ' ' A' ' 38' ' ' GLY . 1.3 mt -119.35 -31.68 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.94 12.68 80.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -108.11 173.11 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 18.2 m -141.18 149.26 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 3.0 m -118.35 144.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -104.38 120.26 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 57' ' ' PHE . 11.6 mt -133.74 109.41 9.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 1.9 tmm_? -56.25 128.05 33.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.489 ' O ' ' CZ ' ' A' ' 47' ' ' ARG . 1.9 t -79.71 176.1 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ASN . 43.7 tt0 -94.31 -39.86 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLN . 26.3 m-20 -34.15 -64.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -173.21 -176.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.699 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -43.12 89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.5 ptmt -168.11 155.25 7.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' ' 93' ' ' HIS . 15.2 t -120.94 148.95 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 0.8 OUTLIER -111.36 112.62 24.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 93' ' ' HIS . 26.1 mm -87.41 119.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 46' ' ' LEU . 69.3 m-85 -114.58 143.42 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.563 HG12 ' CG2' ' A' ' 61' ' ' VAL . 80.1 t -77.56 112.18 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 44' ' ' VAL . 19.1 mmmt -121.29 152.24 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.21 54.41 3.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.563 ' CG2' HG12 ' A' ' 58' ' ' VAL . 64.1 t -80.04 103.34 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -59.49 128.55 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.556 0.693 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -11.87 31.82 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.8 68.69 0.54 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -158.08 150.51 22.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 32' ' ' GLU . 9.2 p -34.27 -33.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' SER . . . -47.04 -50.11 20.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 11.8 p-10 -107.58 -60.93 1.63 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' ASP . 8.7 ptm180 -37.0 -44.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' HB2' HG23 ' A' ' 66' ' ' VAL . 4.4 t70 -76.79 -70.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 17.8 tp60 -114.91 150.73 35.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.702 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -65.74 121.64 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CD2' HG11 ' A' ' 58' ' ' VAL . 3.0 tt -146.93 127.43 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' N ' HD23 ' A' ' 73' ' ' LEU . 59.8 mmtt -106.82 164.21 12.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -77.1 163.07 26.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.2 m120 58.01 40.38 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.573 ' OD2' HG21 ' A' ' 111' ' ' VAL . 7.2 m-20 -99.35 102.38 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 5.4 tt0 -64.26 99.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.496 ' HA ' HG12 ' A' ' 111' ' ' VAL . 59.7 mt -65.95 110.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.83 -49.26 14.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.585 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -134.97 151.24 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.905 HG23 ' CD2' ' A' ' 109' ' ' LEU . 67.9 mt -130.62 116.24 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.65 ' ND2' HG22 ' A' ' 82' ' ' ILE . 73.8 m-20 65.54 54.0 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 56.11 45.87 22.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.1 m -156.12 115.58 2.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 144.02 52.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.4 mt -94.08 30.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' GLN . 10.6 p-10 -53.32 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' OE1' ' C ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -36.61 -39.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -47.87 -53.68 14.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.9 mt -97.49 132.05 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -90.21 -175.13 4.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.736 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.5 p-80 -64.75 -40.64 95.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.592 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 37.1 mt-30 -57.14 -61.57 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB2' HG23 ' A' ' 91' ' ' ILE . 14.1 mt-30 -44.32 -49.37 9.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.46 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.5 mt -53.88 -40.43 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -55.98 -65.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' ALA . 45.7 mt -35.46 -42.35 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 26.9 mt -64.1 -46.78 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 37.6 mt-30 -73.72 -21.25 60.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -117.65 64.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.49 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 1.9 m -152.25 105.0 3.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.83 173.13 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.59 -48.38 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 t -175.15 142.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.366 . . . . 0.0 110.898 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.441 ' HA ' HG21 ' A' ' 103' ' ' THR . 35.6 tp -116.54 102.73 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.83 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 tpp85 -89.72 133.26 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.905 ' CD2' HG23 ' A' ' 82' ' ' ILE . 37.9 mt -140.09 120.9 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 28' ' ' TYR . 53.5 mt -101.21 107.7 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.573 HG21 ' OD2' ' A' ' 77' ' ' ASP . 24.2 m -108.43 159.89 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.1 163.58 12.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -141.31 153.23 45.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -94.71 134.78 24.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.56 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.47 131.03 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -110.22 -38.66 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -133.36 128.06 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 120' ' ' SER . 22.7 ttpp -79.55 164.64 23.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' CG ' ' A' ' 119' ' ' LYS . 5.6 t -144.7 157.47 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.9 m -150.77 132.42 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.1 t -136.41 160.12 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.4 t -54.17 104.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -132.1 81.98 0.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 160.13 50.87 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.5 t -80.38 138.86 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.8 m -115.18 168.82 9.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -56.09 155.08 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -90.25 98.72 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.17 -169.29 21.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -150.3 157.76 43.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -89.06 129.3 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.65 -177.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt -60.52 -62.03 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.23 -142.15 16.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.455 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -57.02 -65.94 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 15' ' ' SER . 3.9 tp10 -88.47 134.46 33.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -96.0 150.99 19.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 18.3 t80 -39.57 -61.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 2.0 m-80 -51.71 -32.15 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' HB3' ' CD ' ' A' ' 11' ' ' GLU . 5.3 t -72.45 -54.47 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.665 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -57.07 -42.36 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.657 HD11 ' HB2' ' A' ' 81' ' ' ALA . 33.0 mm -67.5 -46.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -63.81 -25.82 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -80.76 -37.68 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.665 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.3 mtp -73.09 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.07 -39.16 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 63.15 42.85 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -34.75 4.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -42.28 135.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.683 0.278 . . . . 0.0 110.925 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -61.56 114.27 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.31 141.56 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -135.28 114.13 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -72.19 101.65 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 72' ' ' ARG . 11.6 mm -90.78 101.22 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' CB ' ' HE ' ' A' ' 108' ' ' ARG . 22.0 t0 -89.02 100.51 13.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.529 HD11 HD12 ' A' ' 73' ' ' LEU . 87.1 mt -93.07 133.16 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -92.08 101.45 13.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 37' ' ' GLY . 8.8 mmm180 -61.47 122.76 72.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 177.89 5.14 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -72.9 -57.05 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.1 p -124.49 24.73 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' O ' ' NH1' ' A' ' 33' ' ' ARG . . . -108.68 174.43 18.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . -116.36 152.43 17.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 100' ' ' LEU . 0.9 OUTLIER -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 87.66 14.13 63.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 39' ' ' LEU . 11.8 p90 -144.67 161.93 37.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.7 176.05 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 15.7 m -148.5 127.7 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 5.4 m -109.28 132.67 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -87.43 135.19 33.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 57' ' ' PHE . 16.8 mt -152.34 107.51 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' LEU . 2.3 tmm_? -34.73 128.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.422 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.2 t -76.28 146.18 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -82.59 19.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.76 -73.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.842 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -172.95 143.02 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.93 78.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' CG ' ' HB3' ' A' ' 48' ' ' SER . 8.3 ptmm? -176.34 162.18 2.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 93' ' ' HIS . 39.8 t -118.64 154.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 54' ' ' VAL . 37.6 m-20 -115.14 116.28 28.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 93' ' ' HIS . 29.8 mm -86.64 132.38 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 84.1 m-85 -124.35 132.24 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG12 ' CG2' ' A' ' 61' ' ' VAL . 46.7 t -70.21 115.27 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 13.2 mmmt -115.84 168.72 9.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 41.85 54.85 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.528 ' CG2' HG12 ' A' ' 58' ' ' VAL . 56.4 t -73.86 91.05 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -42.78 127.95 3.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.77 33.47 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.55 69.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.02 42.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.945 0.403 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 67' ' ' ALA . 5.7 p -41.29 -54.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.605 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -37.67 -35.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -109.11 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' CG ' ' N ' ' A' ' 70' ' ' ASP . 9.5 ptm180 -35.72 -51.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.52 ' CB ' HG23 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -77.43 -75.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' ASP . 3.9 tp-100 -95.52 160.03 14.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -87.55 109.46 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.529 HD12 HD11 ' A' ' 31' ' ' ILE . 2.4 tt -134.36 131.37 38.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' N ' HD23 ' A' ' 73' ' ' LEU . 27.0 mmmt -107.9 168.17 9.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 76' ' ' ASN . 32.1 tt0 -81.68 160.3 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.403 ' N ' ' HG2' ' A' ' 75' ' ' GLU . 85.2 m-20 62.95 27.41 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -88.06 102.84 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.565 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 3.2 tt0 -66.26 110.35 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 111' ' ' VAL . 39.2 mt -74.95 114.49 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 112' ' ' ALA . 75.8 mt -83.67 -47.81 10.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -132.6 145.91 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.741 HG23 ' CD2' ' A' ' 109' ' ' LEU . 73.9 mt -126.84 117.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.539 HD21 HG21 ' A' ' 103' ' ' THR . 13.9 m120 62.52 51.01 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 59.86 46.75 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 m -155.41 116.29 2.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 142.03 46.96 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 79' ' ' ILE . 31.2 mt -93.73 33.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -58.25 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.42 -25.9 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -60.32 -57.52 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 mt -99.08 135.4 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -94.46 -174.94 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.678 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.5 p-80 -62.19 -45.26 94.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.506 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 68.5 mt-30 -53.79 -61.06 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -50.01 -42.6 49.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.16 67.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 24.7 mt -63.06 -46.22 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' LEU . . . -52.45 -59.45 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.6 mt -38.26 -34.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.672 ' HB3' HD11 ' A' ' 39' ' ' LEU . 23.6 mt -79.65 -64.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.24 -14.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -100.6 -64.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.539 HG21 HD21 ' A' ' 83' ' ' ASN . 17.7 m -40.29 133.25 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -130.87 174.99 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -73.21 1.08 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -130.79 148.84 52.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 100' ' ' LEU . 29.6 tp -134.58 132.19 38.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HE ' ' CB ' ' A' ' 30' ' ' ASP . 15.3 tpp85 -125.35 99.25 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.741 ' CD2' HG23 ' A' ' 82' ' ' ILE . 42.5 mt -105.13 126.96 52.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 63.4 mt -105.27 103.06 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 79' ' ' ILE . 24.3 m -105.0 155.96 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -104.97 166.34 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -142.96 139.75 30.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 115' ' ' PRO . 10.8 tt0 -89.03 141.93 29.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 114' ' ' GLU . 54.1 Cg_endo -69.75 -179.84 3.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.553 HG22 ' N ' ' A' ' 117' ' ' HIS . 12.4 p -94.65 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.553 ' N ' HG22 ' A' ' 116' ' ' VAL . 50.3 m80 -130.65 -67.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.4 m -126.19 122.1 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.63 109.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.3 t -113.88 102.52 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 81.1 p -92.07 126.97 37.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.2 p -111.16 132.44 54.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.174 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.8 t -100.5 153.17 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -176.66 123.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.17 10.83 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m -74.51 -62.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.2 t -82.14 148.46 28.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -114.77 118.94 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -48.56 -44.68 36.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.44 79.95 1.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -134.61 158.39 44.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -171.42 127.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.47 -177.74 41.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -145.41 162.19 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.02 -104.49 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.59 -41.56 61.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -129.78 117.72 20.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -79.39 -174.47 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HA ' HG12 ' A' ' 16' ' ' VAL . 19.3 t80 -62.09 -40.32 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -72.38 -23.91 61.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -84.24 -45.11 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 17' ' ' ILE . 4.9 p -60.58 -48.33 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.531 HG22 HD13 ' A' ' 26' ' ' ILE . 43.8 mm -61.09 -46.53 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -59.69 -28.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -76.49 -44.92 33.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.491 ' SD ' HG22 ' A' ' 16' ' ' VAL . 11.3 mtp -65.46 -38.59 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.6 -38.12 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 62.19 43.68 8.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 96.47 -39.81 2.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . 58.8 mtm180 -37.9 137.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.729 0.299 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -63.09 116.97 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.531 HD13 HG22 ' A' ' 17' ' ' ILE . 39.9 mt -88.86 142.32 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -134.45 168.33 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -116.75 118.79 33.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.819 HD11 HH22 ' A' ' 113' ' ' ARG . 16.8 mm -110.32 101.08 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.35 101.7 14.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 73' ' ' LEU . 97.0 mt -94.94 129.59 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -86.68 96.52 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.618 HH11 HD21 ' A' ' 39' ' ' LEU . 3.2 mmm180 -54.85 117.29 13.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.4 5.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 37' ' ' GLY . 38.8 m -86.63 134.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 p 39.75 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.15 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -113.92 -154.77 11.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.523 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.33 -154.85 8.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.618 HD21 HH11 ' A' ' 33' ' ' ARG . 1.5 mt -104.39 -30.36 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.19 14.69 71.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 5.5 p90 -144.8 126.97 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -85.45 172.21 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 35.4 m -147.05 148.62 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.508 HG21 ' HE3' ' A' ' 59' ' ' LYS . 27.8 m -116.3 147.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.72 124.1 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.596 ' C ' HG13 ' A' ' 54' ' ' VAL . 7.2 mt -142.8 109.15 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -55.59 115.46 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -67.99 146.52 53.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -79.19 44.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -110.4 -75.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -174.22 109.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 34.33 68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -160.28 154.95 24.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 93' ' ' HIS . 42.0 t -128.9 144.43 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -104.99 117.25 33.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.454 ' CG2' ' HB ' ' A' ' 43' ' ' VAL . 40.0 mm -86.38 110.31 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.409 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 87.6 m-85 -98.0 140.24 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.698 HG11 ' CD2' ' A' ' 73' ' ' LEU . 94.6 t -82.09 104.43 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.508 ' HE3' HG21 ' A' ' 44' ' ' VAL . 27.7 mttt -115.87 150.09 37.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t70 69.44 46.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 58' ' ' VAL . 98.7 t -71.67 94.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -53.64 120.63 23.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -16.06 37.64 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.28 39.94 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p -129.79 166.66 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 67' ' ' ALA . 3.5 p -46.12 -54.29 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -42.69 -24.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 28.2 t0 -117.2 -75.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' ASP . 21.4 ptt180 -36.3 -45.16 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 69' ' ' ARG . 1.8 m-20 -84.28 -73.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' ALA . 4.2 tp-100 -101.69 164.9 11.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.597 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -89.2 131.29 35.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.698 ' CD2' HG11 ' A' ' 58' ' ' VAL . 1.7 tt -154.01 137.99 16.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.468 ' O ' HD23 ' A' ' 73' ' ' LEU . 11.3 mptt -113.58 165.35 12.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -82.64 160.43 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.86 25.61 14.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.511 ' HB3' HG11 ' A' ' 111' ' ' VAL . 82.0 m-20 -85.32 99.92 11.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -64.16 100.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.596 HG21 HG12 ' A' ' 82' ' ' ILE . 43.0 mt -65.9 103.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 20' ' ' MET . 77.6 mt -72.14 -43.13 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.67 152.89 50.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.596 HG12 HG21 ' A' ' 79' ' ' ILE . 66.6 mt -132.11 109.0 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.757 ' OD1' HD12 ' A' ' 107' ' ' LEU . 72.9 m-20 66.22 48.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 65.24 52.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 51.5 m -164.96 111.22 0.83 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 141.98 46.6 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 96' ' ' ALA . 27.3 mt -87.46 34.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -57.63 179.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' ASN . 8.9 pt20 -41.84 -43.1 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 7.1 m-20 -44.11 -50.47 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.4 mt -101.79 141.81 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -96.99 179.05 5.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.597 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.6 p-80 -59.35 -40.67 87.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 72.4 mt-30 -57.1 -66.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 91' ' ' ILE . 8.3 mm-40 -40.09 -47.62 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.4 ' HB2' HD22 ' A' ' 87' ' ' LEU . . . -48.91 -52.46 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' A' ' 100' ' ' LEU . 23.0 mt -57.02 -40.06 70.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.73 -64.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 98' ' ' ALA . 40.4 mt -34.67 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.534 HD23 HD11 ' A' ' 107' ' ' LEU . 19.1 mt -75.53 -52.9 9.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 36.0 mt-30 -67.37 -17.86 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -113.36 49.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.416 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 16.0 m -155.89 112.66 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.08 155.71 25.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.85 -74.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 m -134.54 137.95 44.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.757 HD12 ' OD1' ' A' ' 83' ' ' ASN . 37.6 tp -134.88 103.3 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -88.81 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 82' ' ' ILE . 57.2 mt -126.75 114.3 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.5 mt -89.65 100.25 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.511 HG11 ' HB3' ' A' ' 77' ' ' ASP . 26.9 m -105.2 162.38 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -112.52 160.95 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.819 HH22 HD11 ' A' ' 29' ' ' ILE . 28.9 mtt-85 -143.76 168.76 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 117' ' ' HIS . 20.4 tt0 -46.28 131.43 7.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.693 0.759 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 116' ' ' VAL . 53.3 Cg_endo -69.81 161.13 47.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.269 . . . . 0.0 112.294 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 116' ' ' VAL . 11.2 p 32.11 44.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 114' ' ' GLU . 19.5 m-70 -31.68 105.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -116.66 40.7 2.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.65 158.14 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.3 p -85.0 81.55 8.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.4 p -70.52 135.71 48.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.9 m -87.08 83.02 7.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.6 t -95.29 165.55 12.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.94 83.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 134.61 28.45 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.7 m -118.18 121.44 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.3 t -113.31 141.24 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -111.34 95.45 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -74.41 83.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.41 87.73 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 8.2 t -161.35 132.27 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.8 m -34.7 -49.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.8 146.53 16.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.0 mp -65.42 177.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.47 -108.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.73 -69.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.16 137.85 32.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.2 p-10 -124.63 154.01 41.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -38.16 -53.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.2 -33.96 71.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.0 t -73.36 -57.28 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.717 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.7 p -48.98 -46.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' N ' HG13 ' A' ' 16' ' ' VAL . 41.2 mm -64.95 -49.14 81.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -61.76 -26.61 68.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 29.9 mt-30 -80.28 -37.68 32.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.717 ' SD ' HG22 ' A' ' 16' ' ' VAL . 33.7 mtp -75.77 -33.83 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 -33.96 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 7.7 mm-40 57.83 49.28 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.66 -31.19 3.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -42.64 136.48 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -62.63 117.07 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 110' ' ' ILE . 51.0 mt -88.34 143.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -136.0 132.59 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.47 102.62 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.689 HG21 HD12 ' A' ' 73' ' ' LEU . 33.4 mm -89.19 103.26 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.89 103.64 15.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -99.18 130.85 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' O ' HG21 ' A' ' 66' ' ' VAL . 9.5 tp10 -91.84 104.15 16.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 103' ' ' THR . 7.4 mmm180 -58.39 110.72 2.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.5 p -129.1 -34.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.6 p -87.15 22.3 2.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.54 -139.91 4.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.59 -151.91 5.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD22 HD22 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -58.43 -34.25 70.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.7 16.3 66.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 4.6 p90 -149.12 154.19 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -109.39 175.84 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.35 147.26 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.529 HG13 ' HG3' ' A' ' 59' ' ' LYS . 29.6 m -117.08 134.52 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' O ' HD23 ' A' ' 46' ' ' LEU . . . -90.8 127.22 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 45' ' ' ALA . 23.7 mt -146.22 112.57 5.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -47.44 124.79 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 t -71.25 174.23 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.87 -0.51 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -73.55 -75.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.957 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -175.54 149.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.673 ' N ' HD22 ' A' ' 51' ' ' LEU . . . 4.77 78.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -173.25 160.53 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' C ' ' A' ' 46' ' ' LEU . 21.3 t -124.56 142.55 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 32.5 m-20 -101.32 119.01 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 93' ' ' HIS . 18.4 mm -88.49 121.67 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 78' ' ' GLN . 14.7 m-85 -113.69 145.37 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 73' ' ' LEU . 54.0 t -79.51 125.27 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.529 ' HG3' HG13 ' A' ' 44' ' ' VAL . 19.2 mmtt -135.17 164.43 27.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 48.78 54.7 10.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.625 HG23 ' OE2' ' A' ' 75' ' ' GLU . 61.7 t -75.58 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' VAL . 59.6 mt-30 -38.06 116.47 0.87 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.737 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 53.5 Cg_endo -69.73 -3.96 13.05 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.92 45.88 1.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -143.24 -179.09 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 32' ' ' GLU . 11.9 p -56.1 -30.09 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.17 61.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 63' ' ' PRO . 7.7 t70 -89.56 -55.38 3.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' CD ' ' HA ' ' A' ' 66' ' ' VAL . 13.9 ptt85 -53.55 -43.47 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 72' ' ' ARG . 41.7 t0 -42.37 -24.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 69' ' ' ARG . 14.9 pt20 40.32 28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' HB2' ' CG ' ' A' ' 70' ' ' ASP . 59.9 mtt-85 -122.36 -37.57 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 29' ' ' ILE . 2.1 tt -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -121.11 155.21 34.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.625 ' OE2' HG23 ' A' ' 61' ' ' VAL . 2.3 tp10 -56.67 151.1 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.7 m120 65.83 53.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 58' ' ' VAL . 13.1 m-20 -111.65 104.65 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.563 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.0 tt0 -69.05 99.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.523 HG21 ' CG1' ' A' ' 82' ' ' ILE . 37.6 mt -65.4 117.65 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.58 -43.45 14.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.24 150.25 42.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.576 HG12 HD22 ' A' ' 109' ' ' LEU . 45.6 mt -132.11 118.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.543 ' ND2' HG22 ' A' ' 82' ' ' ILE . 46.4 m-20 63.64 49.23 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 60.4 52.74 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.8 m -162.37 114.7 1.15 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 143.65 51.75 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 45.07 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -70.67 179.91 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -37.6 -37.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.13 -60.18 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.9 mt -93.28 136.95 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -92.61 -174.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.711 ' HA ' HD11 ' A' ' 56' ' ' ILE . 3.6 p-80 -62.83 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 56.5 mt-30 -51.7 -65.65 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.465 ' HB2' HG23 ' A' ' 91' ' ' ILE . 4.1 mm-40 -44.29 -45.8 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.13 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.1 mt -65.33 -43.9 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.76 -55.79 26.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -43.96 -47.65 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 39' ' ' LEU . 10.9 mt -68.9 -55.29 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -59.31 -13.75 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -124.11 65.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.552 HG21 HD13 ' A' ' 107' ' ' LEU . 2.9 m -131.27 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 165.39 27.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.27 -83.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.2 p -131.35 135.92 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.909 0.385 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.685 HD11 HD21 ' A' ' 109' ' ' LEU . 48.2 tp -112.29 101.34 9.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.641 ' O ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -92.67 126.07 37.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 107' ' ' LEU . 46.0 mt -131.8 133.26 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 26' ' ' ILE . 83.4 mt -109.56 100.57 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.7 m -105.0 157.28 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.53 163.08 12.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -142.72 136.55 29.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -56.61 130.83 77.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.31 4.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.633 ' O ' HG22 ' A' ' 116' ' ' VAL . 13.2 p -85.99 29.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.58 166.89 22.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -59.28 144.09 47.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.88 146.05 44.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 t -119.07 -46.48 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.1 m 52.98 28.71 6.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.8 m -101.6 138.84 38.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 t -135.65 148.89 49.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -130.55 71.61 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -173.13 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.0 t -78.66 109.47 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.3 m -89.49 113.9 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -139.81 174.52 10.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -82.87 83.32 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.94 -149.38 5.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.4 t -159.28 132.28 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 33.6 t -34.67 -54.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -173.76 21.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.72 -73.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.05 -143.53 16.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -37.57 -59.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -102.19 136.4 42.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -101.21 169.23 9.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.09 -31.29 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -77.97 -29.29 49.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -79.18 -46.04 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.658 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.4 p -53.89 -50.05 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.698 HD11 ' HB2' ' A' ' 81' ' ' ALA . 39.2 mm -61.29 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -63.02 -34.38 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -72.13 -35.28 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.658 ' SD ' HG22 ' A' ' 16' ' ' VAL . 23.3 mtp -75.53 -34.55 60.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -31.97 71.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 57.41 48.28 14.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.45 -34.54 4.13 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -46.01 134.1 8.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -63.25 114.49 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 17' ' ' ILE . 11.1 mt -82.01 144.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -137.56 131.22 31.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -87.84 106.88 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 72' ' ' ARG . 9.2 mm -87.77 130.58 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -113.17 107.4 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 73' ' ' LEU . 65.7 mt -107.41 135.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -99.08 92.17 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' A' ' 39' ' ' LEU . 6.0 mmm180 -40.36 104.13 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 33' ' ' ARG . 53.7 Cg_endo -69.72 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m -117.6 -45.33 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 37' ' ' GLY . 5.0 t -54.12 -44.99 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 36' ' ' THR . . . -127.28 -115.86 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -158.63 -159.81 9.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -39.07 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' GLY . . . 71.6 11.31 72.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.476 ' HD2' HG13 ' A' ' 58' ' ' VAL . 5.8 p90 -149.59 147.53 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -110.53 171.66 7.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.486 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 22.2 m -142.44 149.88 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.1 m -110.46 162.49 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.49 127.38 52.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.7 mt -146.61 117.48 7.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -58.47 121.61 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -76.9 136.28 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' NE2' ' CG ' ' A' ' 50' ' ' ASN . 3.4 pp0? -40.24 -36.29 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' CG ' ' NE2' ' A' ' 49' ' ' GLN . 10.4 m120 -57.97 -175.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' LYS . 55.0 tp -40.86 162.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' N ' ' HG ' ' A' ' 51' ' ' LEU . . . -47.96 87.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 51' ' ' LEU . 3.3 ptpp? -146.04 160.78 41.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.662 HG11 ' HB3' ' A' ' 93' ' ' HIS . 13.4 t -119.08 141.15 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.582 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 40.8 m-20 -106.35 113.92 27.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 93' ' ' HIS . 17.3 mm -86.07 118.22 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 61.3 m-85 -115.07 136.28 53.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.476 HG13 ' HD2' ' A' ' 41' ' ' PHE . 85.5 t -71.01 116.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -126.08 163.97 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t70 52.5 54.61 10.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLN . 90.9 t -69.48 77.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' VAL . 16.5 mt-30 -34.41 112.2 0.42 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -13.06 34.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.2 29.02 6.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.44 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -126.38 171.06 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' ASP . 3.3 p -42.6 -49.56 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -43.07 -62.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -48.48 -47.38 38.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 24.7 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' VAL . 25.3 t0 -84.74 173.43 10.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -49.26 -56.58 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.877 ' O ' HD12 ' A' ' 29' ' ' ILE . 11.6 ttm180 -170.82 114.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 31' ' ' ILE . 2.2 tt -159.22 127.97 5.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 17.9 mmmt -118.52 170.86 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -74.54 163.21 28.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 53.26 52.21 14.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.542 ' HB3' HG11 ' A' ' 111' ' ' VAL . 19.3 m-20 -108.53 110.27 21.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -71.23 117.32 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 82' ' ' ILE . 2.6 mm -74.59 101.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 112' ' ' ALA . 67.9 mt -75.69 -34.6 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.849 ' HB3' HD12 ' A' ' 110' ' ' ILE . . . -155.74 149.0 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.675 HG23 HD23 ' A' ' 109' ' ' LEU . 72.2 mt -130.15 123.06 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.4 m120 54.29 49.9 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 62.1 54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.6 m -166.13 109.55 0.72 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.183 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.91 55.44 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.596 HD13 ' CB ' ' A' ' 96' ' ' ALA . 17.5 mt -94.91 40.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' GLN . 25.4 t0 -58.34 173.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' ASP . 8.8 pt20 -37.37 -37.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -49.84 -58.9 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.5 mt -86.97 138.14 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 m -87.73 -174.94 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.662 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.0 p-80 -67.47 -40.03 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.417 ' HG2' ' CE1' ' A' ' 93' ' ' HIS . 11.3 mm-40 -57.98 -64.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.475 ' HB2' HG23 ' A' ' 91' ' ' ILE . 16.5 mt-30 -40.16 -45.96 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.596 ' CB ' HD13 ' A' ' 87' ' ' LEU . . . -53.35 -49.32 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.9 mt -61.72 -39.11 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' LEU . . . -55.88 -61.76 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' ALA . 39.1 mt -36.44 -29.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.796 HD23 HD11 ' A' ' 107' ' ' LEU . 27.8 mt -80.44 -54.24 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.81 -12.35 61.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -112.7 30.6 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.3 m -143.27 105.16 4.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.62 175.17 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.76 -82.71 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 m -124.63 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 100' ' ' LEU . 59.8 tp -120.19 105.95 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' O ' HD23 ' A' ' 109' ' ' LEU . 4.0 ttm105 -89.36 135.88 33.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.675 HD23 HG23 ' A' ' 82' ' ' ILE . 22.9 mt -138.26 165.91 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.849 HD12 ' HB3' ' A' ' 81' ' ' ALA . 67.7 mt -140.15 115.55 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 77' ' ' ASP . 16.5 m -123.64 154.82 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.507 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -105.41 164.43 11.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.43 ' NH2' ' HG2' ' A' ' 72' ' ' ARG . 23.6 mtt180 -142.7 140.79 31.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 115' ' ' PRO . 12.6 tp10 -72.04 139.04 82.15 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 117' ' ' HIS . 54.2 Cg_endo -69.73 160.5 49.49 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.491 ' O ' HG22 ' A' ' 116' ' ' VAL . 9.4 p 34.12 32.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -59.83 -176.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.3 p -109.74 177.59 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -160.37 111.21 1.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.6 p -76.73 -179.12 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.7 t -144.0 155.56 44.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 49.7 m -163.57 136.7 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m -112.17 169.81 8.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.18 95.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 175.17 8.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.348 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.1 m -147.68 129.64 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.5 t -61.13 142.09 56.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.1 p -57.49 88.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -150.5 162.09 41.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -160.8 102.08 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.8 m -35.09 -43.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -120.04 142.57 48.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -50.52 -177.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 12' ' ' ASP . 36.7 mt -34.32 -68.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' ASN . . . 61.6 -104.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' GLY . 4.9 m-20 -34.54 -66.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -119.43 118.29 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' SER . 24.0 m-20 -102.52 169.94 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -39.36 -37.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -72.65 -38.26 67.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' ASP . 2.6 t -68.82 -49.67 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.628 HG22 ' SD ' ' A' ' 20' ' ' MET . 3.2 p -54.21 -48.14 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' ' 81' ' ' ALA . 36.2 mm -62.95 -48.06 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -61.14 -29.6 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -76.43 -41.06 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.628 ' SD ' HG22 ' A' ' 16' ' ' VAL . 23.4 mtp -69.43 -27.76 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.98 -37.3 55.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 65.36 42.93 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' ARG . . . 94.18 -37.37 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' GLY . 59.0 mtm180 -36.62 137.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.891 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -64.71 115.32 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.7 mt -87.4 140.01 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -131.64 118.57 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -69.7 102.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.518 HG21 HD12 ' A' ' 73' ' ' LEU . 12.2 mm -88.96 105.68 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 5.8 p-10 -91.01 100.44 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.647 HD11 HD12 ' A' ' 73' ' ' LEU . 96.7 mt -97.42 130.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -101.09 99.37 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -41.03 110.18 0.7 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.48 49.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 m -88.63 50.91 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -116.14 -48.75 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.92 -40.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.9 -161.86 8.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 100' ' ' LEU . 2.1 mt -82.59 -42.28 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.43 8.11 36.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.2 p90 -138.9 141.48 38.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 m -94.71 171.72 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.488 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.4 m -141.88 153.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 7.5 m -122.92 147.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' HB1' HG11 ' A' ' 54' ' ' VAL . . . -101.18 132.59 46.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 57' ' ' PHE . 46.1 mt -147.02 109.07 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 48' ' ' SER . 2.7 tmm_? -49.29 122.48 6.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 1.1 t -74.43 -180.0 4.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -102.84 -35.62 8.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -38.05 -67.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.961 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -167.11 172.49 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.961 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -33.61 89.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' N ' ' O ' ' A' ' 51' ' ' LEU . 10.1 ptmm? -171.07 166.12 7.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 93' ' ' HIS . 22.8 t -121.48 158.14 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 54' ' ' VAL . 66.8 m-20 -117.17 114.07 23.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.891 ' O ' HD12 ' A' ' 79' ' ' ILE . 14.4 mm -88.22 112.69 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 46' ' ' LEU . 97.2 m-85 -104.46 141.45 36.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 73' ' ' LEU . 48.7 t -78.22 107.84 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 6.8 mmtp -115.73 151.74 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.39 54.65 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.32 95.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -39.77 116.1 1.12 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -0.15 6.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.14 53.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.6 m -151.44 172.62 15.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG23 ' HE ' ' A' ' 69' ' ' ARG . 13.9 p -44.16 -25.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.36 -61.38 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HE ' HG23 ' A' ' 66' ' ' VAL . 14.2 ptt180 -49.24 -35.84 18.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ARG . 18.6 t0 -46.12 -21.27 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' ASP . 3.8 pt20 35.29 29.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASP . 1.6 mpt_? -130.88 -34.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 58' ' ' VAL . 2.3 tt -94.62 123.79 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -107.16 151.73 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -58.47 156.87 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 60.55 33.92 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.0 m-20 -96.87 122.56 39.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.543 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 14.0 tt0 -82.77 121.34 26.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.891 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.5 mp -82.01 108.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -76.49 -33.23 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -149.47 147.35 28.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.695 HG12 HD22 ' A' ' 109' ' ' LEU . 33.1 mt -126.22 114.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 63.22 47.77 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 64.06 54.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 35.4 m -162.9 109.29 1.04 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 54.4 Cg_endo -69.69 142.56 48.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 96' ' ' ALA . 23.4 mt -90.27 38.8 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 90' ' ' ASN . 14.5 p-10 -57.43 176.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.738 ' HB3' HD21 ' A' ' 51' ' ' LEU . 6.1 pt20 -41.09 -24.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . 5.1 m120 -61.71 -57.32 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.2 mt -92.99 135.84 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.3 m -91.85 178.58 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.544 ' HB3' HG21 ' A' ' 54' ' ' VAL . 3.1 p-80 -59.07 -40.76 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 30.0 mt-30 -56.72 -66.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB2' HG23 ' A' ' 91' ' ' ILE . 36.7 mt-30 -41.72 -43.36 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 87' ' ' LEU . . . -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.08 -38.13 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.686 ' HB1' HE21 ' A' ' 102' ' ' GLN . . . -59.97 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.8 mt -38.23 -35.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.567 ' HB3' HD11 ' A' ' 39' ' ' LEU . 63.3 mt -71.21 -64.2 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.33 -6.52 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.686 HE21 ' HB1' ' A' ' 98' ' ' ALA . 22.0 mt-30 -86.47 -75.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.527 HG21 HD13 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -32.02 147.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 104' ' ' THR . 19.1 m -125.91 14.22 7.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -152.64 -147.85 4.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 105' ' ' GLY . 18.7 p -37.0 118.24 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.527 HD13 HG21 ' A' ' 103' ' ' THR . 52.7 tp -124.07 119.17 28.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -113.25 127.22 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 82' ' ' ILE . 42.9 mt -123.88 110.55 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.13 103.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -106.36 161.16 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -128.62 159.47 35.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.13 116.68 66.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -180.0 3.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.309 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 76.8 t -112.37 86.93 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -130.03 171.3 12.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 t -72.52 141.39 48.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -174.72 155.99 2.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.5 t -80.44 96.81 6.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -174.27 133.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.8 p -92.88 137.6 32.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.3 m -83.65 173.8 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -151.72 135.59 5.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -173.72 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.25 . . . . 0.0 112.332 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.9 t -144.87 162.36 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.7 m -99.15 -55.21 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -148.13 153.13 38.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 p -126.13 82.74 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.57 77.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -100.92 81.22 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m 63.25 42.95 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.71 166.81 28.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.8 mt -98.51 172.37 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.08 -126.95 2.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -48.16 -59.77 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -96.5 142.22 28.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' SER . 1.1 m-20 -110.86 165.64 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -45.03 -35.91 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -74.4 -30.63 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.2 t -78.19 -49.45 13.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.612 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.9 p -54.02 -44.99 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.642 HD11 ' HB2' ' A' ' 81' ' ' ALA . 33.0 mm -64.19 -48.11 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -61.44 -31.25 71.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -75.04 -37.2 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.612 ' SD ' HG22 ' A' ' 16' ' ' VAL . 44.3 mtp -74.73 -34.83 62.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.12 -35.62 64.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.22 38.48 8.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.23 -28.95 9.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -41.36 140.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 113' ' ' ARG . 15.7 tt0 -62.67 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.71 142.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -137.97 154.97 49.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.8 101.41 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.55 HG23 ' CG ' ' A' ' 71' ' ' GLN . 10.7 mm -89.18 109.3 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' N ' ' HG2' ' A' ' 71' ' ' GLN . 17.0 t0 -85.11 115.75 23.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.974 HD11 HD12 ' A' ' 73' ' ' LEU . 41.3 mt -112.27 135.45 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -93.81 99.41 11.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.47 HH11 HD21 ' A' ' 39' ' ' LEU . 8.5 mmm180 -43.93 118.25 2.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -164.82 0.13 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.1 p -93.39 -43.33 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.3 -47.19 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -41.62 151.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.0 72.89 2.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD21 HH11 ' A' ' 33' ' ' ARG . 0.7 OUTLIER 45.81 24.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.12 12.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.613 ' HE2' HD13 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -156.01 142.57 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -108.02 175.9 5.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.05 152.59 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.515 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 18.8 m -124.23 129.56 74.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.2 130.34 36.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.6 mt -145.99 107.32 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 1.9 tmm_? -44.6 115.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.2 t -72.91 123.17 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' SER . 29.8 mt-30 -33.69 -34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' SER . 72.4 m-20 -57.12 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.844 HD22 ' N ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -51.96 174.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.844 ' N ' HD22 ' A' ' 51' ' ' LEU . . . -41.01 89.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 51' ' ' LEU . 5.2 ptmm? -164.98 146.33 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 93' ' ' HIS . 29.9 t -115.23 152.97 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 57' ' ' PHE . 55.8 m-20 -109.96 119.38 39.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -92.24 116.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 78' ' ' GLN . 85.6 m-85 -113.22 137.81 50.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.597 HG11 HD22 ' A' ' 73' ' ' LEU . 60.5 t -78.92 114.12 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.1 mmmt -118.26 177.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.12 45.37 12.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 62' ' ' GLN . 80.2 t -67.42 85.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 61' ' ' VAL . 10.0 mm100 -34.39 116.46 0.51 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 0.58 5.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.56 49.76 0.52 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -143.95 179.22 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.945 0.402 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 7.8 p -42.56 -33.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.25 -41.69 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' ASP . 7.0 t0 -108.29 -67.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' ASP . 9.6 ptp180 -35.49 -31.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' ASP . 4.3 t70 -92.16 -70.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.55 ' CG ' HG23 ' A' ' 29' ' ' ILE . 3.3 tp60 -110.5 -174.59 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -111.12 28.97 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.974 HD12 HD11 ' A' ' 31' ' ' ILE . 2.5 tt -48.51 121.65 4.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' O ' HD23 ' A' ' 73' ' ' LEU . 3.1 mmmp? -88.48 157.73 18.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -74.11 153.5 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 58.64 42.47 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.6 113.77 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.481 ' HG3' ' CE1' ' A' ' 57' ' ' PHE . 4.7 tt0 -71.65 115.26 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' O ' HD12 ' A' ' 87' ' ' LEU . 21.7 mt -79.13 114.02 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -80.1 -43.38 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.642 ' HB2' HD11 ' A' ' 17' ' ' ILE . . . -142.18 153.0 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.71 HG12 HD22 ' A' ' 109' ' ' LEU . 73.5 mt -130.94 107.97 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.1 m120 62.77 46.7 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 69.68 48.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.6 m -158.4 105.05 1.67 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.2 44.42 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.309 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 82' ' ' ILE . 16.6 mt -90.14 39.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 90' ' ' ASN . 28.9 t70 -64.67 173.21 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.565 ' CB ' HD21 ' A' ' 51' ' ' LEU . 4.0 pt20 -36.6 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 88' ' ' ASP . 3.9 m120 -54.27 -54.72 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 95' ' ' GLN . 2.5 mt -98.65 142.63 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 m -94.15 -179.49 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.505 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.0 p-80 -62.23 -41.88 98.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.448 ' N ' ' CG ' ' A' ' 93' ' ' HIS . 5.3 mm-40 -56.24 -64.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.538 ' HB2' HG23 ' A' ' 91' ' ' ILE . 3.5 mp0 -44.43 -47.4 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.98 42.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.0 mt -59.89 -46.4 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.13 -58.17 6.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -37.94 -38.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.91 -55.89 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -60.2 -15.43 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 103' ' ' THR . 22.0 mt-30 -101.05 -66.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.444 HG21 ' CD1' ' A' ' 107' ' ' LEU . 5.1 m -36.58 106.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 105' ' ' GLY . 14.5 m -87.92 160.18 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 59.07 -158.69 20.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.535 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 105' ' ' GLY . 1.7 m -32.24 146.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 103' ' ' THR . 55.8 tp -139.75 106.09 5.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.66 113.61 25.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.71 HD22 HG12 ' A' ' 82' ' ' ILE . 81.0 mt -116.82 117.75 30.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 81' ' ' ALA . 74.4 mt -87.42 101.74 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -107.68 154.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -95.26 162.38 13.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' GLN . 16.3 ttm-85 -132.94 153.13 51.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -112.04 134.05 21.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 173.58 10.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.0 t -138.61 141.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -99.79 -49.98 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -64.36 169.72 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -100.56 -178.73 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 57.8 m -147.08 172.78 13.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.3 p -164.12 169.63 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 40.3 p -145.21 155.87 43.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 39.6 p -174.83 127.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 142.55 87.97 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.5 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.755 2.303 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 78.9 p -138.67 178.7 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' GLY . 85.2 p -170.54 115.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -116.74 122.43 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 p -133.32 115.52 15.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.74 156.44 15.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -51.16 93.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -119.6 108.67 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.09 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.534 HD22 ' HA ' ' A' ' 12' ' ' ASP . 95.6 mt -148.26 116.2 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.24 -105.63 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -55.46 -57.35 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.17 119.82 39.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.534 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -94.9 159.06 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -43.12 -48.68 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -62.43 -29.5 70.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' ASP . 3.3 t -76.95 -56.16 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.716 HG22 ' SD ' ' A' ' 20' ' ' MET . 2.4 p -48.04 -45.92 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.441 ' CG2' HD13 ' A' ' 26' ' ' ILE . 32.1 mm -62.87 -50.51 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -59.82 -31.33 69.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.95 -37.92 61.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.716 ' SD ' HG22 ' A' ' 16' ' ' VAL . 27.7 mtp -73.93 -37.32 64.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -39.03 57.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 65.7 43.12 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.4 -29.39 8.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -41.41 136.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -61.84 109.17 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CG2' HG23 ' A' ' 110' ' ' ILE . 42.5 mt -85.14 144.41 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -140.91 137.04 32.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.6 108.84 17.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.533 HG21 ' HG ' ' A' ' 73' ' ' LEU . 13.9 mm -95.78 101.72 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.55 126.71 38.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.478 HG23 HG22 ' A' ' 66' ' ' VAL . 87.9 mt -120.73 130.27 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' O ' HG21 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -77.04 92.49 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.506 HH11 HD21 ' A' ' 39' ' ' LEU . 4.8 mmm180 -50.19 119.3 10.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HG2' ' C ' ' A' ' 37' ' ' GLY . 54.1 Cg_endo -69.76 150.26 68.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 m -57.5 -50.07 74.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -84.57 25.03 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.13 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.45 ' C ' ' HG2' ' A' ' 34' ' ' PRO . . . 57.57 166.09 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.14 82.25 0.95 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.506 HD21 HH11 ' A' ' 33' ' ' ARG . 1.0 OUTLIER -60.46 -35.4 75.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.29 10.85 63.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 3.4 p90 -140.9 137.0 32.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.915 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -97.7 173.17 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' ILE . 27.6 m -143.49 149.44 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 m -117.77 134.87 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.36 124.49 38.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.4 mt -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 48' ' ' SER . 4.9 tmm_? -40.64 123.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 2.0 t -67.64 178.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -100.59 -13.35 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -72.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -176.29 144.01 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 51' ' ' LEU . . . 7.34 80.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.534 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 48' ' ' SER . 19.1 ptmt -166.96 171.91 10.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.667 HG11 ' HB3' ' A' ' 93' ' ' HIS . 33.0 t -128.8 145.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 75.1 m-20 -107.43 114.7 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 93' ' ' HIS . 17.5 mm -88.13 104.75 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 78.8 m-85 -99.68 133.64 43.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.65 HG12 HG22 ' A' ' 61' ' ' VAL . 32.5 t -72.79 108.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HG3' ' CG1' ' A' ' 44' ' ' VAL . 17.3 mmmt -113.18 161.86 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 51.23 51.5 16.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.65 HG22 HG12 ' A' ' 58' ' ' VAL . 93.1 t -75.41 92.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -54.09 120.14 23.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.27 44.38 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.534 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' VAL . 19.5 m -144.17 144.52 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.929 0.395 . . . . 0.0 110.832 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG22 HG23 ' A' ' 31' ' ' ILE . 9.1 p -33.8 -37.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' SER . . . -35.53 -49.2 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.1 t0 -118.13 -59.34 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ASP . 21.0 ptt85 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.428 ' HB2' HG23 ' A' ' 66' ' ' VAL . 32.0 t70 -52.43 -64.08 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -131.79 -70.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.15 141.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.533 ' HG ' HG21 ' A' ' 29' ' ' ILE . 3.5 tt -168.88 129.72 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' HD23 ' A' ' 73' ' ' LEU . 4.8 mmmm -108.86 163.41 13.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.63 166.86 21.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 56.92 32.64 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 58' ' ' VAL . 27.6 m-20 -90.88 102.09 14.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.507 ' HG3' ' CE2' ' A' ' 57' ' ' PHE . 2.6 tt0 -66.33 99.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.49 HG21 ' CG1' ' A' ' 82' ' ' ILE . 79.1 mt -64.54 103.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.37 -47.53 55.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -136.42 153.06 51.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.608 HG23 ' CD2' ' A' ' 109' ' ' LEU . 74.2 mt -131.95 112.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.585 ' ND2' HG22 ' A' ' 82' ' ' ILE . 74.4 m-20 64.18 45.22 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t60 67.3 50.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.9 m -161.12 106.71 1.25 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 144.35 53.27 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.4 mt -92.33 43.67 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' ASN . 36.5 t0 -65.08 174.1 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' ASP . 10.7 pt20 -35.44 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 88' ' ' ASP . 39.1 m-20 -55.59 -57.51 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 95' ' ' GLN . 3.7 mt -94.67 142.39 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 m -94.69 -176.2 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.667 ' HB3' HG11 ' A' ' 54' ' ' VAL . 3.9 p-80 -64.66 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.89 -66.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.515 ' HB2' HG23 ' A' ' 91' ' ' ILE . 29.6 mt-30 -39.93 -47.16 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.02 -51.8 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.8 mt -56.56 -45.08 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . -51.62 -61.3 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 98' ' ' ALA . 52.8 mt -35.5 -42.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 39' ' ' LEU . 10.8 mt -69.0 -46.69 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 33.5 mt-30 -75.17 -10.01 59.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' HG2' ' C ' ' A' ' 98' ' ' ALA . 1.0 OUTLIER -123.22 40.39 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.427 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 3.0 m -142.54 105.49 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 m -91.92 142.79 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' SER . . . 85.84 -174.71 48.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' GLY . 57.7 p -33.55 122.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.394 . . . . 0.0 110.842 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.542 HD12 ' OD1' ' A' ' 83' ' ' ASN . 52.0 tp -112.1 103.32 11.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -80.42 127.22 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.608 ' CD2' HG23 ' A' ' 82' ' ' ILE . 66.0 mt -132.36 111.01 10.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.496 HG23 ' CG2' ' A' ' 26' ' ' ILE . 89.4 mt -86.53 100.32 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -105.58 158.22 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.452 ' NH2' HD11 ' A' ' 29' ' ' ILE . 11.0 mmt180 -133.56 157.67 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -115.19 130.34 24.33 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 177.74 5.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.22 126.63 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -115.74 -51.39 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.7 t -146.58 145.04 29.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -101.55 140.58 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.9 t -127.79 154.52 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -136.94 159.87 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 30.0 m -157.14 137.65 13.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -66.37 157.22 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.6 115.66 0.87 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.14 9.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.9 m -154.76 153.78 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.9 t -82.1 158.42 23.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.524 179.998 . . . . . . . . 0 0 . 1 stop_ save_